
#######################################################
#                                                     #
#                        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     30   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A      7  103  103     58   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A      7  103  103     61   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A      7  103  103     63   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A      7  103  103     61   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A      7  103  103     11   51   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A      7  103  103      3    4    8   18   26   47   76  101  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   17   38   97  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     95  103  103      3    4    4    7   20   48  101  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   59   94   98   99  100  101  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   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     95  103  103     48   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     95  103  103     41   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     95  103  103      8   51   95   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     95  103  103     12   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     95  103  103     62   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     95  103  103     63   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     95  103  103     63   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     95  103  103     23   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     95  103  103     20   86   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     95  103  103      5   28   48   84   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     95  103  103     23   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     95  103  103     61   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     95  103  103     54   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     95  103  103     11   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     95  103  103     46   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     95  103  103     54   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     95  103  103     54   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     95  103  103     61   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     95  103  103     61   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     95  103  103     49   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     95  103  103     60   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     95  103  103      5    5   96   98   99  100  101  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    5   46   93   97  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   81   96   98   99  100  101  101  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  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   86   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     95  103  103     56   87   96   98   99  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     95  103  103     53   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  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   87   96   98   99  100  101  101  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     63     87     96     98     99    100    101    101    102    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  61.17  84.47  93.20  95.15  96.12  97.09  98.06  98.06  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.47   0.60   0.66   0.71   0.78   0.90   0.90   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   1.23   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:  E    23_A      E    23_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:  E   101_A      E   101_A
#   possible swapping detected:  F   108_A      F   108_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     1.020     0    0.094   0.094     1.020   88.214   88.214
LGA    W    14_A      W    14_A     0.548     0    0.036   0.075     0.975   90.476   90.476
LGA    Q    15_A      Q    15_A     0.349     0    0.053   1.036     2.605  100.000   91.164
LGA    K    16_A      K    16_A     0.187     0    0.019   0.200     1.682  100.000   90.847
LGA    K    17_A      K    17_A     0.352     0    0.073   0.630     1.815   97.619   91.852
LGA    T    18_A      T    18_A     1.417     0    0.127   0.142     4.204   62.500   59.320
LGA    P    19_A      P    19_A     4.454     0    0.658   0.603     6.951   43.690   31.769
LGA    V    20_A      V    20_A     3.408     0    0.145   1.150     7.612   51.071   40.136
LGA    D    21_A      D    21_A     4.589     0    0.044   0.885     6.114   37.738   33.631
LGA    N    22_A      N    22_A     1.944     0    0.144   0.272     2.789   75.119   71.012
LGA    E    23_A      E    23_A     0.863     0    0.021   0.783     3.697   88.214   78.413
LGA    Q    24_A      Q    24_A     1.153     0    0.021   0.241     1.862   85.952   82.487
LGA    Y    25_A      Y    25_A     0.661     0    0.048   0.092     0.863   90.476   90.476
LGA    K    26_A      K    26_A     0.590     0    0.023   0.708     2.723   95.238   84.074
LGA    E    27_A      E    27_A     0.617     0    0.029   1.481     5.576   90.476   70.370
LGA    L    28_A      L    28_A     0.617     0    0.033   0.096     0.961   90.476   90.476
LGA    A    29_A      A    29_A     0.446     0    0.049   0.065     0.538   97.619   98.095
LGA    H    30_A      H    30_A     0.464     0    0.012   0.112     0.490  100.000  100.000
LGA    F    31_A      F    31_A     0.515     0    0.015   0.089     0.609   90.476   93.939
LGA    A    32_A      A    32_A     0.491     0    0.063   0.073     0.516   97.619   98.095
LGA    V    33_A      V    33_A     0.376     0    0.090   0.784     2.017   97.619   90.952
LGA    S    34_A      S    34_A     0.490     0    0.032   0.035     0.596   97.619   98.413
LGA    K    35_A      K    35_A     0.434     0    0.061   0.171     1.695  100.000   91.746
LGA    Q    36_A      Q    36_A     0.433     0    0.144   0.228     1.451  100.000   91.693
LGA    V    37_A      V    37_A     0.989     0    0.012   0.050     1.410   85.952   84.014
LGA    E    38_A      E    38_A     1.836     0    0.037   1.059     5.483   79.286   59.312
LGA    G    39_A      G    39_A     1.236     0    0.041   0.041     1.416   85.952   85.952
LGA    R    40_A      R    40_A     0.556     0    0.014   1.114     3.625   90.476   84.589
LGA    E    41_A      E    41_A     0.538     0    0.063   0.682     2.112   97.619   90.794
LGA    F    42_A      F    42_A     0.489     0    0.017   0.062     0.708  100.000   94.805
LGA    F    43_A      F    43_A     0.511     0    0.027   0.125     0.648   95.238   92.208
LGA    D    44_A      D    44_A     0.163     0    0.038   0.136     0.588  100.000   98.810
LGA    T    45_A      T    45_A     0.143     0    0.049   0.080     0.285  100.000  100.000
LGA    V    46_A      V    46_A     0.185     0    0.017   0.054     0.404  100.000  100.000
LGA    L    47_A      L    47_A     0.184     0    0.062   0.073     0.601   97.619   98.810
LGA    E    48_A      E    48_A     0.427     0    0.040   0.670     1.535  100.000   91.746
LGA    V    49_A      V    49_A     0.371     0    0.029   0.074     0.646  100.000   98.639
LGA    T    50_A      T    50_A     0.190     0    0.013   0.082     0.392  100.000  100.000
LGA    D    51_A      D    51_A     0.132     0    0.020   0.929     4.241  100.000   84.345
LGA    V    52_A      V    52_A     0.124     0    0.043   0.055     0.345  100.000  100.000
LGA    E    53_A      E    53_A     0.181     0    0.038   0.949     3.964  100.000   86.772
LGA    T    54_A      T    54_A     0.233     0    0.047   0.070     0.545  100.000   98.639
LGA    Q    55_A      Q    55_A     0.238     0    0.044   0.468     1.799  100.000   95.926
LGA    V    56_A      V    56_A     0.945     0    0.021   0.065     1.353   92.857   87.959
LGA    V    57_A      V    57_A     1.213     0    0.305   1.077     4.722   62.857   64.150
LGA    A    58_A      A    58_A     2.701     0    0.097   0.112     3.842   62.976   59.048
LGA    G    59_A      G    59_A     0.985     0    0.029   0.029     1.658   86.071   86.071
LGA    T    60_A      T    60_A     0.528     0    0.046   0.072     0.973   92.857   91.837
LGA    N    61_A      N    61_A     0.776     0    0.065   0.478     2.236   92.857   87.321
LGA    Y    62_A      Y    62_A     0.476     0    0.020   0.106     0.716   92.857   92.857
LGA    R    63_A      R    63_A     0.383     0    0.022   0.778     3.334  100.000   86.450
LGA    I    64_A      I    64_A     0.316     0    0.026   0.071     0.603  100.000   97.619
LGA    T    65_A      T    65_A     0.222     0    0.039   0.060     0.330  100.000  100.000
LGA    F    66_A      F    66_A     0.279     0    0.019   0.091     0.393  100.000  100.000
LGA    K    67_A      K    67_A     0.219     0    0.012   0.145     0.442  100.000  100.000
LGA    I    68_A      I    68_A     0.155     0    0.029   0.051     0.205  100.000  100.000
LGA    A    69_A      A    69_A     0.195     0    0.026   0.045     0.262  100.000  100.000
LGA    E    70_A      E    70_A     0.259     0    0.000   0.332     1.074  100.000   96.878
LGA    S    71_A      S    71_A     0.390     0    0.014   0.052     0.474  100.000  100.000
LGA    T    72_A      T    72_A     0.562     0    0.015   0.047     0.726   90.476   90.476
LGA    C    73_A      C    73_A     0.583     0    0.027   0.067     0.740   90.476   90.476
LGA    R    74_A      R    74_A     0.493     0    0.041   0.797     3.046  100.000   90.303
LGA    V    75_A      V    75_A     0.458     0    0.037   0.056     0.551   97.619   97.279
LGA    T    76_A      T    76_A     0.495     0    0.072   0.154     1.396  100.000   94.626
LGA    E    77_A      E    77_A     0.321     0    0.040   0.158     0.830  100.000   95.767
LGA    T    78_A      T    78_A     0.312     0    0.050   0.084     0.467  100.000  100.000
LGA    Y    79_A      Y    79_A     0.297     0    0.043   0.178     0.584  100.000   98.413
LGA    S    80_A      S    80_A     0.109     0    0.040   0.055     0.187  100.000  100.000
LGA    K    81_A      K    81_A     0.669     0    0.046   0.682     4.395   92.857   72.963
LGA    E    82_A      E    82_A     0.980     0    0.078   1.026     4.327   88.214   76.720
LGA    T    83_A      T    83_A     0.822     0    0.055   0.066     1.094   88.214   89.184
LGA    C    84_A      C    84_A     0.418     0    0.092   0.090     0.675  100.000   98.413
LGA    L    85_A      L    85_A     0.654     0    0.031   0.103     1.474   90.476   87.083
LGA    P    86_A      P    86_A     0.354     0    0.035   0.273     0.669   97.619   95.918
LGA    K    87_A      K    87_A     0.455     0    0.027   0.067     0.624   97.619   97.884
LGA    T    88_A      T    88_A     0.419     0    0.044   0.112     0.461  100.000  100.000
LGA    R    89_A      R    89_A     0.507     6    0.020   0.020     0.550   90.476   41.126
LGA    D    90_A      D    90_A     0.629     0    0.026   0.430     2.184   95.238   87.381
LGA    V    91_A      V    91_A     0.372     0    0.017   0.020     0.470  100.000  100.000
LGA    K    92_A      K    92_A     0.246     0    0.036   0.158     1.393  100.000   95.820
LGA    S    93_A      S    93_A     0.174     0    0.070   0.635     1.881  100.000   93.889
LGA    T    94_A      T    94_A     0.113     0    0.032   0.062     0.376  100.000  100.000
LGA    C    95_A      C    95_A     0.142     0    0.038   0.043     0.202  100.000  100.000
LGA    T    96_A      T    96_A     0.201     0    0.014   0.038     0.329  100.000  100.000
LGA    A    97_A      A    97_A     0.150     0    0.024   0.026     0.382  100.000  100.000
LGA    V    98_A      V    98_A     0.761     0    0.022   0.030     1.077   90.476   89.184
LGA    I    99_A      I    99_A     0.841     0    0.017   0.436     1.149   90.476   89.345
LGA    T   100_A      T   100_A     0.541     0    0.000   0.037     0.829   90.476   90.476
LGA    E   101_A      E   101_A     0.525     0    0.012   0.465     1.492   92.857   92.646
LGA    P   102_A      P   102_A     0.663     0    0.028   0.345     0.883   95.238   93.197
LGA    L   103_A      L   103_A     0.419     0    0.137   1.376     2.865   97.619   83.512
LGA    N   104_A      N   104_A     1.538     0    0.211   1.164     6.050   60.357   46.071
LGA    N   105_A      N   105_A     5.096     0    0.692   0.540    10.515   39.048   20.595
LGA    E   106_A      E   106_A     1.348     0    0.134   1.024     6.482   73.214   57.989
LGA    R   107_A      R   107_A     1.139     0    0.136   1.153     4.542   83.690   75.498
LGA    F   108_A      F   108_A     1.160     0    0.133   1.294     5.139   85.952   67.186
LGA    V   109_A      V   109_A     0.714     0    0.050   0.060     0.766   90.476   94.558
LGA    H   110_A      H   110_A     0.945     0    0.054   1.282     5.147   90.476   71.095
LGA    S   111_A      S   111_A     0.722     0    0.058   0.084     0.834   90.476   90.476
LGA    F   112_A      F   112_A     0.246     0    0.039   0.163     0.718  100.000   97.403
LGA    T   113_A      T   113_A     0.214     0    0.123   1.174     2.634   97.619   87.483
LGA    C   114_A      C   114_A     0.384     0    0.081   0.089     0.835   95.238   95.238
LGA    G   115_A      G   115_A     0.321     0    0.687   0.687     3.347   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):     1.115          1.121                  1.648           91.743   87.007

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    101    0.90    94.417    97.232    10.110

LGA_LOCAL      RMSD:   0.899  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.118  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 =  -0.321641 * X  +  -0.073935 * Y  +   0.943971 * Z  + -29.274048
  Y_new =  -0.444977 * X  +   0.891801 * Y  +  -0.081769 * Z  +  31.252563
  Z_new =  -0.835788 * X  +  -0.446346 * Y  +  -0.319740 * Z  +   0.741411 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.196679  0.989567 -2.192412   [DEG: -125.8604   56.6980 -125.6159 ]
ZXZ:  1.484390  1.896251 -2.061305   [DEG:   85.0493  108.6472 -118.1041 ]
 
# END of job
