
#######################################################
#                                                     #
#                        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  107 (  844),  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:    62      54_A - 115_A       4.54    26.57
  LCS_AVERAGE:     55.17

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58      58_A - 115_A       1.88    27.33
  LCS_AVERAGE:     41.74

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      58_A - 88_A        0.89    27.14
  LCS_AVERAGE:     16.78

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   26   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     W    14_A     W    14_A      6   26   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     Q    15_A     Q    15_A      6   26   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     K    16_A     K    16_A      6   26   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     K    17_A     K    17_A      6   26   49     16   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     T    18_A     T    18_A      6   26   49      8   24   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     P    19_A     P    19_A      4   26   49      3    4    6   15   18   29   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     V    20_A     V    20_A     16   26   49      4    6   16   29   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     D    21_A     D    21_A     17   26   49      4    4   31   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     N    22_A     N    22_A     17   26   49     15   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     E    23_A     E    23_A     17   26   49     15   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     Q    24_A     Q    24_A     17   26   49     14   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     Y    25_A     Y    25_A     17   26   49     12   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     K    26_A     K    26_A     17   26   49     18   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     E    27_A     E    27_A     17   26   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     L    28_A     L    28_A     17   26   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     A    29_A     A    29_A     17   26   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     H    30_A     H    30_A     17   26   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     F    31_A     F    31_A     17   26   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     A    32_A     A    32_A     17   26   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     V    33_A     V    33_A     17   26   49     12   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     S    34_A     S    34_A     17   26   49     12   28   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     K    35_A     K    35_A     17   26   49      4   29   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     Q    36_A     Q    36_A     17   26   49      6   27   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     V    37_A     V    37_A     17   26   49      3    3    4   19   39   40   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     E    38_A     E    38_A      4   26   49      3    3    4   20   24   35   38   39   42   44   46   46   47   47   47   47   48   48   49   49 
LCS_GDT     G    39_A     G    39_A      4   17   49      3    4    8   11   14   18   37   38   43   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     R    40_A     R    40_A      5   19   49      3    7   12   26   36   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     E    41_A     E    41_A      5   19   49      4    7   16   28   38   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     F    42_A     F    42_A     16   19   49      4    9   20   36   38   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     F    43_A     F    43_A     16   19   49      4   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     D    44_A     D    44_A     16   19   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     T    45_A     T    45_A     16   19   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     V    46_A     V    46_A     16   19   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     L    47_A     L    47_A     16   19   49     15   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     E    48_A     E    48_A     16   19   49     15   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     V    49_A     V    49_A     16   19   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     T    50_A     T    50_A     16   19   49     16   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     D    51_A     D    51_A     16   19   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     V    52_A     V    52_A     16   19   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     E    53_A     E    53_A     16   19   49     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     T    54_A     T    54_A     16   19   62     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   48   49   50 
LCS_GDT     Q    55_A     Q    55_A     16   19   62     21   31   35   37   39   41   43   44   44   45   46   46   47   47   47   47   48   53   58   61 
LCS_GDT     V    56_A     V    56_A     16   19   62     21   31   35   37   39   41   43   44   44   45   46   48   55   57   59   60   60   60   60   61 
LCS_GDT     V    57_A     V    57_A     16   48   62     21   31   35   37   39   41   48   52   56   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     A    58_A     A    58_A     31   58   62      3    5   18   28   48   51   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     G    59_A     G    59_A     31   58   62     12   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     T    60_A     T    60_A     31   58   62     18   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     N    61_A     N    61_A     31   58   62     18   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     Y    62_A     Y    62_A     31   58   62     18   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     R    63_A     R    63_A     31   58   62     18   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     I    64_A     I    64_A     31   58   62     18   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     T    65_A     T    65_A     31   58   62     18   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     F    66_A     F    66_A     31   58   62     12   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     K    67_A     K    67_A     31   58   62     15   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     I    68_A     I    68_A     31   58   62     14   30   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     A    69_A     A    69_A     31   58   62     15   30   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     E    70_A     E    70_A     31   58   62     15   31   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     S    71_A     S    71_A     31   58   62     15   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     T    72_A     T    72_A     31   58   62     15   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     C    73_A     C    73_A     31   58   62     15   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     R    74_A     R    74_A     31   58   62     15   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     V    75_A     V    75_A     31   58   62     15   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     T    76_A     T    76_A     31   58   62     14   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     E    77_A     E    77_A     31   58   62      4   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     T    78_A     T    78_A     31   58   62     15   31   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     Y    79_A     Y    79_A     31   58   62     15   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     S    80_A     S    80_A     31   58   62     15   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     K    81_A     K    81_A     31   58   62     15   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     E    82_A     E    82_A     31   58   62      5   30   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     T    83_A     T    83_A     31   58   62     10   30   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     C    84_A     C    84_A     31   58   62     15   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     L    85_A     L    85_A     31   58   62     15   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     P    86_A     P    86_A     31   58   62     15   30   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     K    87_A     K    87_A     31   58   62     15   30   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     T    88_A     T    88_A     31   58   62      5   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     R    89_A     R    89_A      6   58   62      5    5    7   10   18   39   51   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     D    90_A     D    90_A      6   58   62      5    5   10   27   30   46   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     V    91_A     V    91_A      6   58   62      5    8   19   39   49   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     K    92_A     K    92_A     11   58   62      5   15   35   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     S    93_A     S    93_A     11   58   62     15   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     T    94_A     T    94_A     11   58   62     18   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     C    95_A     C    95_A     11   58   62     18   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     T    96_A     T    96_A     11   58   62     18   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     A    97_A     A    97_A     11   58   62     18   30   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     V    98_A     V    98_A     11   58   62     18   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     I    99_A     I    99_A     11   58   62     18   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     T   100_A     T   100_A     11   58   62     18   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     E   101_A     E   101_A     11   58   62     18   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     P   102_A     P   102_A     11   58   62     18   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     L   103_A     L   103_A      3   58   62      3    3   12   21   29   49   52   55   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     N   104_A     N   104_A      3   58   62      3    5   22   44   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     N   105_A     N   105_A      5   58   62      3    4    7    9   12   18   36   53   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     E   106_A     E   106_A      5   58   62      3   27   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     R   107_A     R   107_A      5   58   62      3   30   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     F   108_A     F   108_A      5   58   62     18   30   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     V   109_A     V   109_A      5   58   62      9   32   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     H   110_A     H   110_A      5   58   62      3    4   23   46   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     S   111_A     S   111_A      5   58   62      3    5   12   34   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     F   112_A     F   112_A      5   58   62      3   15   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     T   113_A     T   113_A      5   58   62     18   30   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     C   114_A     C   114_A      5   58   62     18   30   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_GDT     G   115_A     G   115_A      5   58   62     15   30   47   49   52   52   54   56   57   57   59   59   59   59   59   60   60   60   60   61 
LCS_AVERAGE  LCS_A:  37.90  (  16.78   41.74   55.17 )

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     21     32     47     49     52     52     54     56     57     57     59     59     59     59     59     60     60     60     60     61 
GDT PERCENT_AT  20.39  31.07  45.63  47.57  50.49  50.49  52.43  54.37  55.34  55.34  57.28  57.28  57.28  57.28  57.28  58.25  58.25  58.25  58.25  59.22
GDT RMS_LOCAL    0.34   0.68   0.90   0.96   1.15   1.15   1.37   1.63   1.76   1.75   2.07   2.07   2.07   2.07   2.07   2.62   2.62   2.62   2.62   3.47
GDT RMS_ALL_AT  33.67  27.19  27.13  27.14  27.20  27.20  27.24  27.30  27.38  27.26  27.24  27.24  27.24  27.24  27.24  27.07  27.07  27.07  27.07  26.85

# Checking swapping
#   possible swapping detected:  Y    25_A      Y    25_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    70_A      E    70_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:  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    25.552     0    0.109   0.109    25.758    0.000    0.000
LGA    W    14_A      W    14_A    27.613     0    0.042   1.148    32.013    0.000    0.000
LGA    Q    15_A      Q    15_A    32.052     0    0.017   0.801    35.133    0.000    0.000
LGA    K    16_A      K    16_A    37.809     0    0.097   0.858    47.171    0.000    0.000
LGA    K    17_A      K    17_A    39.508     0    0.128   0.645    43.364    0.000    0.000
LGA    T    18_A      T    18_A    46.124     0    0.213   1.012    49.597    0.000    0.000
LGA    P    19_A      P    19_A    47.235     0    0.671   0.596    48.064    0.000    0.000
LGA    V    20_A      V    20_A    50.018     0    0.067   0.108    53.195    0.000    0.000
LGA    D    21_A      D    21_A    52.669     0    0.137   1.105    54.554    0.000    0.000
LGA    N    22_A      N    22_A    46.527     0    0.065   0.366    48.421    0.000    0.000
LGA    E    23_A      E    23_A    47.094     0    0.110   1.127    51.282    0.000    0.000
LGA    Q    24_A      Q    24_A    39.631     0    0.034   0.729    42.194    0.000    0.000
LGA    Y    25_A      Y    25_A    39.052     0    0.055   1.316    40.772    0.000    0.000
LGA    K    26_A      K    26_A    45.059     0    0.020   0.880    55.557    0.000    0.000
LGA    E    27_A      E    27_A    42.575     0    0.033   1.550    43.429    0.000    0.000
LGA    L    28_A      L    28_A    35.667     0    0.028   1.109    38.038    0.000    0.000
LGA    A    29_A      A    29_A    39.119     0    0.056   0.075    41.153    0.000    0.000
LGA    H    30_A      H    30_A    43.522     0    0.028   0.100    51.924    0.000    0.000
LGA    F    31_A      F    31_A    38.071     0    0.039   1.401    39.863    0.000    0.000
LGA    A    32_A      A    32_A    33.656     0    0.034   0.036    35.284    0.000    0.000
LGA    V    33_A      V    33_A    39.301     0    0.159   0.799    43.801    0.000    0.000
LGA    S    34_A      S    34_A    42.143     0    0.168   0.240    43.237    0.000    0.000
LGA    K    35_A      K    35_A    36.203     0    0.206   1.185    38.021    0.000    0.000
LGA    Q    36_A      Q    36_A    34.146     0    0.587   0.831    36.411    0.000    0.000
LGA    V    37_A      V    37_A    38.677     0    0.127   0.138    40.126    0.000    0.000
LGA    E    38_A      E    38_A    37.901     0    0.593   1.307    38.454    0.000    0.000
LGA    G    39_A      G    39_A    36.924     0    0.064   0.064    37.815    0.000    0.000
LGA    R    40_A      R    40_A    40.081     0    0.594   0.933    42.375    0.000    0.000
LGA    E    41_A      E    41_A    46.806     0    0.159   0.885    50.305    0.000    0.000
LGA    F    42_A      F    42_A    50.027     0    0.086   1.256    55.173    0.000    0.000
LGA    F    43_A      F    43_A    49.536     0    0.017   1.197    51.767    0.000    0.000
LGA    D    44_A      D    44_A    49.327     0    0.042   1.316    49.708    0.000    0.000
LGA    T    45_A      T    45_A    51.208     0    0.025   0.047    56.233    0.000    0.000
LGA    V    46_A      V    46_A    50.742     0    0.066   0.060    55.144    0.000    0.000
LGA    L    47_A      L    47_A    56.572     0    0.050   1.389    60.769    0.000    0.000
LGA    E    48_A      E    48_A    54.186     0    0.044   0.722    59.584    0.000    0.000
LGA    V    49_A      V    49_A    48.159     0    0.130   0.155    50.619    0.000    0.000
LGA    T    50_A      T    50_A    49.217     0    0.169   1.091    51.065    0.000    0.000
LGA    D    51_A      D    51_A    43.478     0    0.034   0.261    46.828    0.000    0.000
LGA    V    52_A      V    52_A    37.263     0    0.040   0.143    39.806    0.000    0.000
LGA    E    53_A      E    53_A    31.920     0    0.085   0.901    35.708    0.000    0.000
LGA    T    54_A      T    54_A    25.476     0    0.021   0.085    28.125    0.000    0.000
LGA    Q    55_A      Q    55_A    19.517     0    0.057   0.634    21.199    0.000    0.000
LGA    V    56_A      V    56_A    13.477     0    0.041   0.062    16.069    0.000    0.000
LGA    V    57_A      V    57_A     7.262     0    0.016   1.205     9.312   12.500   12.381
LGA    A    58_A      A    58_A     3.803     0    0.370   0.365     6.493   43.810   38.476
LGA    G    59_A      G    59_A     0.863     0    0.085   0.085     1.502   83.810   83.810
LGA    T    60_A      T    60_A     0.281     0    0.024   0.103     0.404  100.000  100.000
LGA    N    61_A      N    61_A     0.413     0    0.118   0.535     2.082  100.000   87.679
LGA    Y    62_A      Y    62_A     0.652     0    0.121   0.137     0.978   92.857   91.270
LGA    R    63_A      R    63_A     0.702     0    0.028   1.000     3.627   88.214   80.519
LGA    I    64_A      I    64_A     0.409     0    0.019   0.051     2.035   95.238   87.381
LGA    T    65_A      T    65_A     0.647     0    0.056   0.212     1.807   90.476   86.667
LGA    F    66_A      F    66_A     0.883     0    0.029   1.223     4.785   90.476   71.255
LGA    K    67_A      K    67_A     0.629     0    0.197   0.618     1.451   95.238   88.571
LGA    I    68_A      I    68_A     1.191     0    0.042   1.190     2.713   83.690   75.357
LGA    A    69_A      A    69_A     1.241     0    0.011   0.022     1.289   81.429   81.429
LGA    E    70_A      E    70_A     0.943     0    0.016   0.385     1.152   88.214   90.529
LGA    S    71_A      S    71_A     0.561     0    0.038   0.190     0.666   95.238   93.651
LGA    T    72_A      T    72_A     0.524     0    0.011   0.043     0.869   95.238   93.197
LGA    C    73_A      C    73_A     0.495     0    0.036   0.107     0.879   97.619   95.238
LGA    R    74_A      R    74_A     0.672     0    0.036   1.246     5.799   90.476   73.593
LGA    V    75_A      V    75_A     0.751     0    0.123   1.127     3.041   88.214   79.592
LGA    T    76_A      T    76_A     0.934     0    0.047   0.163     1.375   88.214   85.306
LGA    E    77_A      E    77_A     0.880     0    0.029   0.560     3.039   90.476   82.011
LGA    T    78_A      T    78_A     1.105     0    0.067   0.090     1.375   83.690   82.721
LGA    Y    79_A      Y    79_A     0.996     0    0.023   0.136     1.240   83.690   85.952
LGA    S    80_A      S    80_A     1.013     0    0.058   0.073     1.155   88.214   85.952
LGA    K    81_A      K    81_A     0.627     0    0.035   0.951     6.275   88.214   66.614
LGA    E    82_A      E    82_A     1.226     0    0.016   0.825     2.893   81.548   73.175
LGA    T    83_A      T    83_A     1.256     0    0.090   1.114     3.434   79.286   73.333
LGA    C    84_A      C    84_A     0.590     0    0.096   0.096     1.269   92.857   90.556
LGA    L    85_A      L    85_A     1.164     0    0.031   0.141     2.078   83.690   78.333
LGA    P    86_A      P    86_A     1.344     0    0.052   0.249     1.677   79.286   77.755
LGA    K    87_A      K    87_A     1.387     0    0.621   0.911     3.771   69.762   69.524
LGA    T    88_A      T    88_A     1.336     0    0.641   1.441     6.019   71.429   53.946
LGA    R    89_A      R    89_A     5.028     6    0.061   0.068     7.346   28.929   11.429
LGA    D    90_A      D    90_A     4.229     0    0.043   1.373     8.370   54.762   35.714
LGA    V    91_A      V    91_A     3.334     0    0.040   0.063     7.643   56.190   40.612
LGA    K    92_A      K    92_A     2.940     0    0.588   1.001    14.025   61.429   31.376
LGA    S    93_A      S    93_A     1.027     0    0.121   0.612     1.734   83.690   83.016
LGA    T    94_A      T    94_A     0.955     0    0.056   0.105     1.283   90.476   87.891
LGA    C    95_A      C    95_A     0.791     0    0.033   0.058     1.140   92.857   90.556
LGA    T    96_A      T    96_A     0.852     0    0.036   0.143     0.913   90.476   90.476
LGA    A    97_A      A    97_A     1.208     0    0.063   0.093     1.381   85.952   85.048
LGA    V    98_A      V    98_A     0.696     0    0.050   0.176     1.075   90.476   89.184
LGA    I    99_A      I    99_A     0.331     0    0.049   0.555     1.630  100.000   95.417
LGA    T   100_A      T   100_A     0.304     0    0.155   1.123     2.271   97.619   88.571
LGA    E   101_A      E   101_A     1.239     0    0.124   0.596     2.774   83.690   72.487
LGA    P   102_A      P   102_A     1.139     0    0.666   0.591     3.714   67.738   66.463
LGA    L   103_A      L   103_A     5.255     0    0.453   1.338    12.088   33.214   17.560
LGA    N   104_A      N   104_A     2.493     0    0.562   1.146     6.270   45.952   53.810
LGA    N   105_A      N   105_A     5.470     0    0.692   1.424    11.217   35.952   20.119
LGA    E   106_A      E   106_A     1.128     0    0.027   0.741     3.199   77.619   72.487
LGA    R   107_A      R   107_A     1.238     0    0.026   1.109     4.119   79.286   75.325
LGA    F   108_A      F   108_A     1.643     0    0.053   1.283     3.994   81.548   72.381
LGA    V   109_A      V   109_A     0.889     0    0.034   0.089     1.539   81.548   86.735
LGA    H   110_A      H   110_A     2.679     0    0.579   1.143     6.018   56.071   45.667
LGA    S   111_A      S   111_A     2.979     0    0.150   0.587     6.853   53.690   44.206
LGA    F   112_A      F   112_A     1.657     0    0.146   0.730     2.769   70.833   70.173
LGA    T   113_A      T   113_A     1.724     0    0.224   0.978     2.800   72.976   69.524
LGA    C   114_A      C   114_A     1.132     0    0.087   0.236     2.188   77.262   78.651
LGA    G   115_A      G   115_A     1.496     0    0.672   0.672     1.808   81.548   81.548

# 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):    21.189         21.178                 21.593           44.902   41.478

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  103    4.0     56    1.63    47.816    48.345     3.241

LGA_LOCAL      RMSD:   1.628  Number of atoms:   56  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  27.305  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:  21.189  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.081093 * X  +  -0.871072 * Y  +   0.484414 * Z  + -83.941895
  Y_new =   0.978793 * X  +  -0.161328 * Y  +  -0.126246 * Z  +  20.265684
  Z_new =   0.188119 * X  +   0.463903 * Y  +   0.865682 * Z  +  50.119835 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.653458 -0.189247  0.491940   [DEG:   94.7362  -10.8430   28.1861 ]
ZXZ:  1.315852  0.524286  0.385250   [DEG:   75.3927   30.0394   22.0732 ]
 
# END of job
