
#######################################################
#                                                     #
#                        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       1.11     1.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.11     1.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    95      21_A - 115_A       0.98     1.12
  LCS_AVERAGE:     86.33

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      7  103  103     16   82   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A      7  103  103     47   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A      7  103  103     48   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A      7  103  103     53   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A      7  103  103     48   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A      7  103  103     11   66   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A      7  103  103      3    3    8   20   29   53   81  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A     85  103  103      3    4    6   94   98  100  101  102  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    8   17   76  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     95  103  103     26   75   94   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     95  103  103     46   83   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     95  103  103     37   83   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     95  103  103     55   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     95  103  103     57   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     95  103  103      9   52   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     95  103  103      6   47   80   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     95  103  103     10   81   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     95  103  103     48   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     95  103  103     57   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     95  103  103     49   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     95  103  103     49   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     95  103  103     11   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     95  103  103     19   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     95  103  103      4   31   66   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     95  103  103     19   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     95  103  103     41   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     95  103  103     39   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     95  103  103     56   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     95  103  103     41   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     95  103  103     11   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     95  103  103     50   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     95  103  103     46   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     95  103  103     38   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     95  103  103     42   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     95  103  103     46   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     95  103  103     39   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     95  103  103     48   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     95  103  103      3   18   96   98   99  100  101  102  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    7    9   60   93  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   71   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     95  103  103      3   81   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     95  103  103     12   82   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     95  103  103     51   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     95  103  103     46   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     95  103  103     58   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     95  103  103     56   86   96   98   99  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  95.44  (  86.33  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     86     96     98     99    100    101    102    102    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  56.31  83.50  93.20  95.15  96.12  97.09  98.06  99.03  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    0.30   0.54   0.67   0.73   0.76   0.83   0.90   1.00   1.00   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11
GDT RMS_ALL_AT   1.29   1.13   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  E    41_A      E    41_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:  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     1.275     0    0.155   0.155     1.275   85.952   85.952
LGA    W    14_A      W    14_A     0.536     0    0.035   0.108     1.114   92.857   89.864
LGA    Q    15_A      Q    15_A     0.339     0    0.046   1.024     2.674  100.000   91.164
LGA    K    16_A      K    16_A     0.275     0    0.021   0.201     1.845   97.619   87.778
LGA    K    17_A      K    17_A     0.427     0    0.057   0.623     1.787   95.238   90.794
LGA    T    18_A      T    18_A     1.462     0    0.132   0.165     4.217   62.500   60.408
LGA    P    19_A      P    19_A     4.463     0    0.671   0.597     7.085   43.690   31.293
LGA    V    20_A      V    20_A     3.301     0    0.149   1.173     7.336   51.071   40.544
LGA    D    21_A      D    21_A     3.751     0    0.028   0.876     4.990   46.905   47.976
LGA    N    22_A      N    22_A     1.744     0    0.168   0.318     2.709   77.143   73.036
LGA    E    23_A      E    23_A     1.077     0    0.036   0.890     5.205   81.429   63.651
LGA    Q    24_A      Q    24_A     1.301     0    0.023   0.139     1.491   81.429   81.429
LGA    Y    25_A      Y    25_A     0.798     0    0.047   0.080     0.998   90.476   90.476
LGA    K    26_A      K    26_A     0.762     0    0.035   0.868     3.019   90.476   77.460
LGA    E    27_A      E    27_A     0.797     0    0.030   1.483     5.327   90.476   72.593
LGA    L    28_A      L    28_A     0.767     0    0.035   0.088     1.032   90.476   89.345
LGA    A    29_A      A    29_A     0.591     0    0.045   0.060     0.683   90.476   92.381
LGA    H    30_A      H    30_A     0.526     0    0.015   0.092     0.593   90.476   96.190
LGA    F    31_A      F    31_A     0.643     0    0.019   0.126     0.763   90.476   92.208
LGA    A    32_A      A    32_A     0.597     0    0.056   0.068     0.625   90.476   92.381
LGA    V    33_A      V    33_A     0.604     0    0.064   1.321     2.602   90.476   82.041
LGA    S    34_A      S    34_A     0.593     0    0.042   0.042     0.660   90.476   92.063
LGA    K    35_A      K    35_A     0.436     0    0.068   0.172     1.775  100.000   91.746
LGA    Q    36_A      Q    36_A     0.701     0    0.136   0.189     1.481   92.857   88.519
LGA    V    37_A      V    37_A     1.386     0    0.034   0.078     1.695   77.143   77.755
LGA    E    38_A      E    38_A     2.249     0    0.039   1.109     6.012   70.833   50.952
LGA    G    39_A      G    39_A     1.418     0    0.035   0.035     1.670   83.810   83.810
LGA    R    40_A      R    40_A     0.540     0    0.013   1.106     2.922   92.857   86.753
LGA    E    41_A      E    41_A     0.466     0    0.062   0.695     1.912   97.619   90.688
LGA    F    42_A      F    42_A     0.458     0    0.020   0.073     0.923  100.000   94.805
LGA    F    43_A      F    43_A     0.424     0    0.020   0.117     0.644   97.619   93.074
LGA    D    44_A      D    44_A     0.078     0    0.064   0.189     0.647  100.000   98.810
LGA    T    45_A      T    45_A     0.067     0    0.057   0.088     0.221  100.000  100.000
LGA    V    46_A      V    46_A     0.247     0    0.014   0.066     0.416  100.000  100.000
LGA    L    47_A      L    47_A     0.195     0    0.022   0.039     0.339  100.000  100.000
LGA    E    48_A      E    48_A     0.302     0    0.042   0.599     1.673  100.000   93.862
LGA    V    49_A      V    49_A     0.389     0    0.044   0.069     0.634  100.000   98.639
LGA    T    50_A      T    50_A     0.298     0    0.027   0.103     0.555  100.000   98.639
LGA    D    51_A      D    51_A     0.127     0    0.014   0.950     4.229  100.000   84.345
LGA    V    52_A      V    52_A     0.120     0    0.033   0.044     0.339  100.000  100.000
LGA    E    53_A      E    53_A     0.226     0    0.053   0.952     3.885  100.000   87.672
LGA    T    54_A      T    54_A     0.283     0    0.071   0.103     0.540  100.000   98.639
LGA    Q    55_A      Q    55_A     0.378     0    0.043   0.405     1.671   95.238   93.810
LGA    V    56_A      V    56_A     1.081     0    0.023   0.053     1.577   88.214   82.857
LGA    V    57_A      V    57_A     1.081     0    0.307   1.130     4.562   64.762   66.531
LGA    A    58_A      A    58_A     2.289     0    0.042   0.056     3.046   67.024   63.619
LGA    G    59_A      G    59_A     1.101     0    0.018   0.018     1.571   81.548   81.548
LGA    T    60_A      T    60_A     0.600     0    0.059   0.088     0.935   90.476   90.476
LGA    N    61_A      N    61_A     0.744     0    0.061   0.495     2.242   92.857   87.321
LGA    Y    62_A      Y    62_A     0.427     0    0.028   0.068     0.623   92.857   95.238
LGA    R    63_A      R    63_A     0.337     0    0.013   0.619     1.580  100.000   91.602
LGA    I    64_A      I    64_A     0.278     0    0.032   0.076     0.613  100.000   97.619
LGA    T    65_A      T    65_A     0.255     0    0.068   0.072     0.408  100.000  100.000
LGA    F    66_A      F    66_A     0.317     0    0.028   0.087     0.491  100.000  100.000
LGA    K    67_A      K    67_A     0.220     0    0.022   0.106     0.654  100.000   96.825
LGA    I    68_A      I    68_A     0.245     0    0.022   0.059     0.284  100.000  100.000
LGA    A    69_A      A    69_A     0.235     0    0.025   0.040     0.263  100.000  100.000
LGA    E    70_A      E    70_A     0.247     0    0.000   0.329     1.200  100.000   97.937
LGA    S    71_A      S    71_A     0.330     0    0.020   0.052     0.533   95.238   96.825
LGA    T    72_A      T    72_A     0.675     0    0.032   0.048     0.802   90.476   90.476
LGA    C    73_A      C    73_A     0.677     0    0.029   0.077     0.836   90.476   90.476
LGA    R    74_A      R    74_A     0.584     0    0.028   0.843     3.036   90.476   85.152
LGA    V    75_A      V    75_A     0.513     0    0.039   0.048     0.669   90.476   93.197
LGA    T    76_A      T    76_A     0.798     0    0.074   0.155     1.638   92.857   86.735
LGA    E    77_A      E    77_A     0.786     0    0.036   0.146     1.050   90.476   89.471
LGA    T    78_A      T    78_A     0.817     0    0.056   0.089     1.156   90.476   89.184
LGA    Y    79_A      Y    79_A     0.535     0    0.053   0.171     0.712   95.238   95.238
LGA    S    80_A      S    80_A     0.293     0    0.031   0.055     0.365  100.000  100.000
LGA    K    81_A      K    81_A     0.668     0    0.036   0.659     4.036   90.476   73.492
LGA    E    82_A      E    82_A     1.003     0    0.061   1.052     4.003   85.952   77.566
LGA    T    83_A      T    83_A     0.849     0    0.059   0.077     1.065   88.214   87.891
LGA    C    84_A      C    84_A     0.422     0    0.094   0.091     0.872  100.000   98.413
LGA    L    85_A      L    85_A     0.552     0    0.029   0.104     1.247   95.238   89.464
LGA    P    86_A      P    86_A     0.397     0    0.041   0.273     0.732   95.238   93.197
LGA    K    87_A      K    87_A     0.471     0    0.031   0.068     0.677   95.238   94.709
LGA    T    88_A      T    88_A     0.559     0    0.036   0.037     0.628   95.238   94.558
LGA    R    89_A      R    89_A     0.741     6    0.029   0.029     0.851   90.476   41.126
LGA    D    90_A      D    90_A     0.842     0    0.016   0.351     2.033   90.476   85.000
LGA    V    91_A      V    91_A     0.531     0    0.038   0.040     0.672   92.857   91.837
LGA    K    92_A      K    92_A     0.188     0    0.039   0.149     1.527  100.000   93.862
LGA    S    93_A      S    93_A     0.241     0    0.057   0.685     1.946  100.000   93.889
LGA    T    94_A      T    94_A     0.146     0    0.020   0.044     0.277  100.000  100.000
LGA    C    95_A      C    95_A     0.167     0    0.033   0.048     0.251  100.000  100.000
LGA    T    96_A      T    96_A     0.248     0    0.013   0.042     0.353  100.000  100.000
LGA    A    97_A      A    97_A     0.153     0    0.026   0.030     0.377  100.000  100.000
LGA    V    98_A      V    98_A     0.794     0    0.019   0.032     1.154   90.476   89.184
LGA    I    99_A      I    99_A     0.897     0    0.018   0.447     1.236   90.476   89.345
LGA    T   100_A      T   100_A     0.600     0    0.009   0.032     0.968   90.476   90.476
LGA    E   101_A      E   101_A     0.576     0    0.035   0.500     1.713   90.476   86.508
LGA    P   102_A      P   102_A     0.826     0    0.022   0.369     1.150   90.476   89.184
LGA    L   103_A      L   103_A     0.645     0    0.114   1.384     3.158   90.476   79.048
LGA    N   104_A      N   104_A     1.368     0    0.220   0.867     4.064   62.500   58.036
LGA    N   105_A      N   105_A     5.130     0    0.703   0.545    10.781   39.048   20.595
LGA    E   106_A      E   106_A     1.471     0    0.128   0.744     4.810   73.214   59.365
LGA    R   107_A      R   107_A     1.107     0    0.149   1.163     4.729   83.690   72.511
LGA    F   108_A      F   108_A     1.220     0    0.136   1.267     4.825   85.952   69.610
LGA    V   109_A      V   109_A     0.611     0    0.053   0.070     0.697   90.476   94.558
LGA    H   110_A      H   110_A     0.919     0    0.061   1.230     5.097   90.476   71.048
LGA    S   111_A      S   111_A     0.637     0    0.057   0.082     0.740   92.857   92.063
LGA    F   112_A      F   112_A     0.269     0    0.056   0.176     0.734   97.619   96.537
LGA    T   113_A      T   113_A     0.141     0    0.142   1.189     2.587   97.619   87.483
LGA    C   114_A      C   114_A     0.356     0    0.092   0.098     0.658   97.619   98.413
LGA    G   115_A      G   115_A     0.474     0    0.672   0.672     4.049   75.476   75.476

# 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):     1.115          1.130                  1.620           90.110   85.789

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    102    1.00    94.417    97.207     9.248

LGA_LOCAL      RMSD:   1.003  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.119  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.115  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.587156 * X  +  -0.100286 * Y  +   0.803237 * Z  + -28.830946
  Y_new =   0.094282 * X  +   0.977069 * Y  +   0.190909 * Z  +  29.556583
  Z_new =  -0.803964 * X  +   0.187825 * Y  +  -0.564237 * Z  +   0.651131 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.982377  0.933932  2.820248   [DEG:  170.8776   53.5103  161.5883 ]
ZXZ:  1.804141  2.170305 -1.341290   [DEG:  103.3697  124.3493  -76.8502 ]
 
# END of job
