
#######################################################
#                                                     #
#                        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       1.56     1.56
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.56     1.56
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82      22_A - 103_A       0.97     1.59
  LONGEST_CONTINUOUS_SEGMENT:    82      23_A - 104_A       0.97     1.58
  LCS_AVERAGE:     65.70

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      6  103  103     19   62   88   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A      6  103  103     19   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A      6  103  103     31   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A      6  103  103     19   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A      6  103  103     20   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A      6  103  103      8   38   68   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A      6  103  103      4    4    7   15   27   40   73   97  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A      4  103  103      4    4    4    7   72   90   97  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     13  103  103      4    5    7   17   26   43   76   97   98  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     82  103  103      6   20   53   86   94   95   97  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     82  103  103     14   53   87   94   95   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     82  103  103     19   61   87   94   95   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     82  103  103     25   73   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     82  103  103     35   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     82  103  103     43   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     82  103  103     43   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     82  103  103     47   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     82  103  103     36   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     82  103  103     25   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     82  103  103     29   76   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     82  103  103     18   73   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     82  103  103     37   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     82  103  103     43   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     82  103  103     41   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     82  103  103     41   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     82  103  103     26   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     82  103  103     28   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     82  103  103     47   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     82  103  103     45   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     82  103  103     45   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     82  103  103     48   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     82  103  103     38   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     82  103  103     45   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     82  103  103     45   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     82  103  103     20   76   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     82  103  103     18   67   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     82  103  103     18   61   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     82  103  103     18   61   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     82  103  103     12   64   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     82  103  103     37   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     82  103  103     38   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     82  103  103     13   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     82  103  103     47   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     82  103  103     47   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     82  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     82  103  103     37   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     82  103  103     33   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     82  103  103     18   60   89   93   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     82  103  103      4   37   82   93   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     82  103  103      4   13   38   85   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A      5  103  103      3    4    7   15   20   35   56   96   98  100  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     10  103  103      5   20   65   93   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     10  103  103      6   63   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     10  103  103     13   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     10  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     10  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     10  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     10  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     10  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     10  103  103     49   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     10  103  103     13   77   89   94   96   98   98  100  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  88.57  (  65.70  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     49     77     89     94     96     98     98    100    101    101    102    102    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  47.57  74.76  86.41  91.26  93.20  95.15  95.15  97.09  98.06  98.06  99.03  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.54   0.71   0.82   0.97   1.03   1.03   1.18   1.26   1.26   1.43   1.41   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56
GDT RMS_ALL_AT   1.64   1.62   1.59   1.59   1.58   1.57   1.57   1.57   1.57   1.57   1.57   1.57   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  D    44_A      D    44_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  Y    79_A      Y    79_A
#   possible swapping detected:  E   101_A      E   101_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  F   108_A      F   108_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     1.637     0    0.160   0.160     1.637   79.405   79.405
LGA    W    14_A      W    14_A     1.014     0    0.092   0.239     1.464   83.690   84.660
LGA    Q    15_A      Q    15_A     0.830     0    0.100   1.333     6.667   92.857   68.836
LGA    K    16_A      K    16_A     0.925     0    0.037   0.854     4.767   90.476   72.698
LGA    K    17_A      K    17_A     0.896     0    0.087   0.433     2.010   88.214   85.608
LGA    T    18_A      T    18_A     1.901     0    0.055   1.209     5.732   55.119   46.190
LGA    P    19_A      P    19_A     4.660     0    0.644   0.792     6.825   40.476   31.156
LGA    V    20_A      V    20_A     4.292     0    0.093   1.167     7.872   33.929   24.286
LGA    D    21_A      D    21_A     6.517     0    0.300   0.758    10.499   19.881   11.071
LGA    N    22_A      N    22_A     4.015     0    0.083   0.220     4.842   45.357   41.310
LGA    E    23_A      E    23_A     2.387     0    0.065   0.636     3.116   67.262   71.481
LGA    Q    24_A      Q    24_A     2.142     0    0.023   0.988     2.720   70.952   72.381
LGA    Y    25_A      Y    25_A     1.444     0    0.090   0.263     2.469   79.286   75.119
LGA    K    26_A      K    26_A     1.055     0    0.049   0.931     4.030   85.952   69.101
LGA    E    27_A      E    27_A     0.778     0    0.024   1.177     4.463   90.476   75.132
LGA    L    28_A      L    28_A     0.753     0    0.039   0.274     1.289   90.476   89.345
LGA    A    29_A      A    29_A     0.403     0    0.036   0.043     0.556   97.619   98.095
LGA    H    30_A      H    30_A     0.461     0    0.042   0.089     0.677   95.238   92.381
LGA    F    31_A      F    31_A     0.588     0    0.023   0.233     1.295   90.476   88.874
LGA    A    32_A      A    32_A     0.455     0    0.039   0.038     0.513   97.619   98.095
LGA    V    33_A      V    33_A     0.341     0    0.064   1.318     2.613   95.238   85.034
LGA    S    34_A      S    34_A     0.703     0    0.060   0.112     1.051   90.595   90.556
LGA    K    35_A      K    35_A     0.498     0    0.147   0.715     1.872   97.619   85.767
LGA    Q    36_A      Q    36_A     0.875     0    0.019   0.176     1.792   90.476   81.640
LGA    V    37_A      V    37_A     1.099     0    0.101   0.109     1.288   83.690   84.014
LGA    E    38_A      E    38_A     1.565     0    0.046   0.823     5.159   79.286   58.519
LGA    G    39_A      G    39_A     0.880     0    0.092   0.092     1.114   92.976   92.976
LGA    R    40_A      R    40_A     0.434     0    0.038   0.174     0.933   95.238   95.671
LGA    E    41_A      E    41_A     0.772     0    0.105   0.791     2.048   95.238   85.767
LGA    F    42_A      F    42_A     0.317     0    0.058   0.077     1.068  100.000   93.160
LGA    F    43_A      F    43_A     0.243     0    0.050   0.136     0.740  100.000   97.403
LGA    D    44_A      D    44_A     0.247     0    0.041   1.252     4.912  100.000   79.821
LGA    T    45_A      T    45_A     0.217     0    0.042   0.127     0.549  100.000   98.639
LGA    V    46_A      V    46_A     0.432     0    0.022   0.065     0.535  100.000   98.639
LGA    L    47_A      L    47_A     0.546     0    0.032   0.061     0.559   90.476   95.238
LGA    E    48_A      E    48_A     0.492     0    0.017   0.334     0.896   97.619   96.825
LGA    V    49_A      V    49_A     0.587     0    0.068   0.141     0.808   92.857   91.837
LGA    T    50_A      T    50_A     0.554     0    0.075   1.086     2.826   88.214   82.109
LGA    D    51_A      D    51_A     0.902     0    0.045   0.907     4.410   90.476   70.952
LGA    V    52_A      V    52_A     0.709     0    0.030   0.052     0.954   90.476   90.476
LGA    E    53_A      E    53_A     0.233     0    0.037   0.809     2.706  100.000   88.995
LGA    T    54_A      T    54_A     0.512     0    0.012   0.079     0.822   92.857   91.837
LGA    Q    55_A      Q    55_A     0.867     0    0.040   0.785     3.439   90.476   82.063
LGA    V    56_A      V    56_A     1.302     0    0.064   1.059     3.708   79.286   72.381
LGA    V    57_A      V    57_A     1.092     0    0.385   1.244     3.242   73.571   71.293
LGA    A    58_A      A    58_A     0.963     0    0.349   0.345     1.603   81.548   83.333
LGA    G    59_A      G    59_A     0.809     0    0.106   0.106     1.169   85.952   85.952
LGA    T    60_A      T    60_A     1.200     0    0.050   1.083     2.354   83.690   77.959
LGA    N    61_A      N    61_A     0.893     0    0.021   0.180     1.093   88.214   87.083
LGA    Y    62_A      Y    62_A     0.587     0    0.019   0.109     1.234   90.476   87.460
LGA    R    63_A      R    63_A     0.424     0    0.036   1.224     4.536  100.000   83.853
LGA    I    64_A      I    64_A     0.425     0    0.027   1.132     3.167   97.619   80.655
LGA    T    65_A      T    65_A     0.295     0    0.041   1.093     2.485  100.000   89.932
LGA    F    66_A      F    66_A     0.384     0    0.031   0.175     1.000  100.000   96.580
LGA    K    67_A      K    67_A     0.455     0    0.045   0.506     1.965   95.238   94.868
LGA    I    68_A      I    68_A     0.566     0    0.026   1.445     4.509   90.476   75.714
LGA    A    69_A      A    69_A     0.802     0    0.067   0.075     1.023   95.238   92.476
LGA    E    70_A      E    70_A     0.385     0    0.048   0.519     1.308  100.000   94.762
LGA    S    71_A      S    71_A     0.279     0    0.050   0.103     0.460  100.000  100.000
LGA    T    72_A      T    72_A     0.536     0    0.056   0.090     0.722   92.857   94.558
LGA    C    73_A      C    73_A     0.553     0    0.026   0.077     0.637   90.476   93.651
LGA    R    74_A      R    74_A     1.000     0    0.053   1.561     4.275   83.690   71.645
LGA    V    75_A      V    75_A     1.221     0    0.110   1.231     3.857   77.143   72.313
LGA    T    76_A      T    76_A     1.687     0    0.229   1.287     4.770   79.405   68.367
LGA    E    77_A      E    77_A     1.611     0    0.013   0.472     2.267   72.857   71.958
LGA    T    78_A      T    78_A     1.293     0    0.110   0.960     3.366   83.690   77.007
LGA    Y    79_A      Y    79_A     0.599     0    0.011   0.149     0.863   95.238   92.063
LGA    S    80_A      S    80_A     0.157     0    0.054   0.069     0.276  100.000  100.000
LGA    K    81_A      K    81_A     0.698     0    0.059   0.927     4.510   92.857   73.228
LGA    E    82_A      E    82_A     1.027     0    0.155   1.434     5.135   83.810   68.624
LGA    T    83_A      T    83_A     0.564     0    0.074   1.211     2.780   90.476   82.041
LGA    C    84_A      C    84_A     0.364     0    0.046   0.069     0.497  100.000  100.000
LGA    L    85_A      L    85_A     0.607     0    0.032   1.035     3.389   95.238   79.405
LGA    P    86_A      P    86_A     0.152     0    0.025   0.171     0.826  100.000   97.279
LGA    K    87_A      K    87_A     0.213     0    0.061   0.596     2.795  100.000   95.238
LGA    T    88_A      T    88_A     0.378     0    0.038   0.121     0.638  100.000   98.639
LGA    R    89_A      R    89_A     0.117     6    0.099   0.097     0.767   97.619   44.589
LGA    D    90_A      D    90_A     0.588     0    0.052   0.834     4.198   97.619   78.155
LGA    V    91_A      V    91_A     0.400     0    0.048   0.071     0.493  100.000  100.000
LGA    K    92_A      K    92_A     0.471     0    0.045   1.104     6.635  100.000   73.862
LGA    S    93_A      S    93_A     0.561     0    0.063   0.154     1.074   97.619   92.222
LGA    T    94_A      T    94_A     0.549     0    0.037   1.046     3.071   92.857   81.293
LGA    C    95_A      C    95_A     0.385     0    0.023   0.101     0.449  100.000  100.000
LGA    T    96_A      T    96_A     0.555     0    0.045   0.063     0.709   95.238   93.197
LGA    A    97_A      A    97_A     0.574     0    0.039   0.056     0.622   95.238   94.286
LGA    V    98_A      V    98_A     0.626     0    0.045   0.075     0.711   90.476   90.476
LGA    I    99_A      I    99_A     0.721     0    0.066   0.487     1.326   92.857   89.405
LGA    T   100_A      T   100_A     0.577     0    0.082   0.957     2.667   92.857   84.558
LGA    E   101_A      E   101_A     0.875     0    0.147   0.863     2.151   85.952   80.688
LGA    P   102_A      P   102_A     2.122     0    0.066   0.101     2.311   66.786   69.456
LGA    L   103_A      L   103_A     2.969     0    0.020   1.094     3.462   53.571   58.452
LGA    N   104_A      N   104_A     3.774     0    0.060   0.842     5.691   35.238   47.321
LGA    N   105_A      N   105_A     7.016     0    0.512   1.049    13.562   23.571   11.964
LGA    E   106_A      E   106_A     3.118     0    0.064   0.788     7.842   40.714   28.783
LGA    R   107_A      R   107_A     1.449     0    0.099   0.873     2.627   85.952   77.143
LGA    F   108_A      F   108_A     0.900     0    0.074   1.143     4.792   90.476   72.078
LGA    V   109_A      V   109_A     0.525     0    0.016   0.078     0.658   95.238   95.918
LGA    H   110_A      H   110_A     0.542     0    0.031   1.051     4.062   95.238   74.762
LGA    S   111_A      S   111_A     0.408     0    0.032   0.041     0.768  100.000   96.825
LGA    F   112_A      F   112_A     0.321     0    0.026   0.387     1.329  100.000   94.026
LGA    T   113_A      T   113_A     0.383     0    0.024   1.089     2.579  100.000   88.844
LGA    C   114_A      C   114_A     0.273     0    0.035   0.631     1.835   95.238   90.714
LGA    G   115_A      G   115_A     1.041     0    0.713   0.713     3.184   75.833   75.833

# 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):     1.564          1.540                  2.183           86.833   80.469

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    100    1.18    90.777    94.954     7.810

LGA_LOCAL      RMSD:   1.180  Number of atoms:  100  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.567  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.564  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.645124 * X  +  -0.744803 * Y  +  -0.170539 * Z  + -12.598521
  Y_new =   0.576149 * X  +  -0.620781 * Y  +   0.531680 * Z  +  26.432907
  Z_new =  -0.501864 * X  +   0.244743 * Y  +   0.829598 * Z  +  -4.902467 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.412613  0.525752  0.286877   [DEG:  138.2325   30.1234   16.4368 ]
ZXZ: -2.831205  0.592409 -1.117062   [DEG: -162.2161   33.9425  -64.0029 ]
 
# END of job
