
#######################################################
#                                                     #
#                        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  101 (  800),  selected   96 , name one
# Molecule2: number of CA atoms   96 (  752),  selected   96 , 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:    96       2_A - 99_A        2.55     2.55
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94       2_A - 97_A        1.78     2.61
  LONGEST_CONTINUOUS_SEGMENT:    94       3_A - 98_A        1.90     2.57
  LCS_AVERAGE:     96.93

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91       4_A - 96_A        0.81     2.64
  LCS_AVERAGE:     90.02

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   96
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     A     2_A     A     2_A      3   94   96      3    3    3    4    4    7    8   12   18   55   83   86   93   93   93   93   94   95   95   95 
LCS_GDT     K     3_A     K     3_A      3   94   96      3    4    5    5   14   49   67   84   88   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E     4_A     E     4_A     91   94   96      3    4    5   23   73   84   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R     5_A     R     5_A     91   94   96     23   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A     6_A     A     6_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L     7_A     L     7_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     T     8_A     T     8_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L     9_A     L     9_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    10_A     E    10_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    11_A     A    11_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    12_A     L    12_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    13_A     R    13_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     V    14_A     V    14_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     M    15_A     M    15_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     D    16_A     D    16_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    17_A     A    17_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     I    18_A     I    18_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     D    19_A     D    19_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    20_A     R    20_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    21_A     R    21_A     91   94   96     54   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     G    22_A     G    22_A     91   94   96     50   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     S    23_A     S    23_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     F    24_A     F    24_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    25_A     A    25_A     91   94   96     45   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    26_A     A    26_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    27_A     A    27_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    28_A     A    28_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     D    29_A     D    29_A     91   94   96     50   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    30_A     E    30_A     91   94   96     50   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    31_A     L    31_A     91   94   96     50   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     G    32_A     G    32_A     91   94   96     33   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    33_A     R    33_A     91   94   96     30   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     V    34_A     V    34_A     91   94   96     30   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     P    35_A     P    35_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     S    36_A     S    36_A     91   94   96     43   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    37_A     A    37_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    38_A     L    38_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     S    39_A     S    39_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     Y    40_A     Y    40_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     T    41_A     T    41_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     M    42_A     M    42_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     Q    43_A     Q    43_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     K    44_A     K    44_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    45_A     L    45_A     91   94   96     27   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    46_A     E    46_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    47_A     E    47_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    48_A     E    48_A     91   94   96     14   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    49_A     L    49_A     91   94   96     23   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     D    50_A     D    50_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     V    51_A     V    51_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     V    52_A     V    52_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    53_A     L    53_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     F    54_A     F    54_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     D    55_A     D    55_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    56_A     R    56_A     91   94   96     34   78   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     S    57_A     S    57_A     91   94   96     34   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    60_A     R    60_A     91   94   96     33   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     T    61_A     T    61_A     91   94   96     40   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     K    62_A     K    62_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     F    63_A     F    63_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     T    64_A     T    64_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     N    65_A     N    65_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     V    66_A     V    66_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     G    67_A     G    67_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    68_A     R    68_A     91   94   96     34   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     M    69_A     M    69_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    70_A     L    70_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    71_A     L    71_A     91   94   96     53   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    72_A     E    72_A     91   94   96     15   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    73_A     R    73_A     91   94   96     43   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     G    74_A     G    74_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    75_A     R    75_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     V    76_A     V    76_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    77_A     L    77_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    78_A     L    78_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    79_A     E    79_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    80_A     A    80_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    81_A     A    81_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     D    82_A     D    82_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     K    83_A     K    83_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    84_A     L    84_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     T    85_A     T    85_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     T    86_A     T    86_A     91   94   96     58   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     D    87_A     D    87_A     91   94   96     54   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    88_A     A    88_A     91   94   96     53   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    89_A     E    89_A     91   94   96     53   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    90_A     A    90_A     91   94   96     46   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    91_A     L    91_A     91   94   96     43   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     A    92_A     A    92_A     91   94   96     43   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     R    93_A     R    93_A     91   94   96     43   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     L    94_A     L    94_A     91   94   96     43   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     E    95_A     E    95_A     91   94   96     22   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     H    96_A     H    96_A     91   94   96     18   87   90   90   90   90   91   91   91   92   92   92   93   93   93   93   94   95   95   95 
LCS_GDT     H    97_A     H    97_A      3   94   96      3    4    4    4    5    5    7    9   18   23   82   92   92   93   93   93   94   95   95   95 
LCS_GDT     H    98_A     H    98_A      3   94   96      3    4    4    4    5    5    7    8   11   13   16   19   22   30   46   65   92   95   95   95 
LCS_GDT     H    99_A     H    99_A      3    3   96      3    3    3    3    5    5    7    8   11   13   15   16   17   22   25   31   45   76   93   95 
LCS_AVERAGE  LCS_A:  95.65  (  90.02   96.93  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     58     87     90     90     90     90     91     91     91     92     92     92     93     93     93     93     94     95     95     95 
GDT PERCENT_AT  60.42  90.62  93.75  93.75  93.75  93.75  94.79  94.79  94.79  95.83  95.83  95.83  96.88  96.88  96.88  96.88  97.92  98.96  98.96  98.96
GDT RMS_LOCAL    0.33   0.54   0.59   0.59   0.59   0.59   0.81   0.81   0.81   1.11   1.11   1.11   1.53   1.53   1.43   1.43   1.78   2.18   2.18   2.18
GDT RMS_ALL_AT   2.77   2.67   2.65   2.65   2.65   2.65   2.64   2.64   2.64   2.65   2.65   2.65   2.67   2.67   2.61   2.61   2.61   2.56   2.56   2.56

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E    10_A      E    10_A
#   possible swapping detected:  F    24_A      F    24_A
#   possible swapping detected:  E    30_A      E    30_A
#   possible swapping detected:  Y    40_A      Y    40_A
#   possible swapping detected:  E    46_A      E    46_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E    95_A      E    95_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    10.667     0    0.473   0.465    11.569    0.476    0.381
LGA    K     3_A      K     3_A     7.436     0    0.394   1.162    16.561   22.738   10.688
LGA    E     4_A      E     4_A     5.199     0    0.036   1.039    10.791   28.214   13.386
LGA    R     5_A      R     5_A     0.950     0    0.392   0.909    10.554   85.952   45.541
LGA    A     6_A      A     6_A     0.923     0    0.063   0.060     1.295   88.214   88.667
LGA    L     7_A      L     7_A     0.474     0    0.106   0.150     0.739   95.238   96.429
LGA    T     8_A      T     8_A     0.522     0    0.039   0.044     0.849   97.619   94.558
LGA    L     9_A      L     9_A     0.529     0    0.016   0.067     0.675   90.476   90.476
LGA    E    10_A      E    10_A     0.706     0    0.053   0.994     3.389   92.857   79.471
LGA    A    11_A      A    11_A     0.484     0    0.019   0.035     0.566   97.619   98.095
LGA    L    12_A      L    12_A     0.360     0    0.052   0.049     0.440  100.000  100.000
LGA    R    13_A      R    13_A     0.382     0    0.030   0.261     1.275  100.000   91.472
LGA    V    14_A      V    14_A     0.391     0    0.033   0.038     0.427  100.000  100.000
LGA    M    15_A      M    15_A     0.387     0    0.019   0.564     1.374  100.000   94.107
LGA    D    16_A      D    16_A     0.396     0    0.033   0.104     0.814  100.000   96.429
LGA    A    17_A      A    17_A     0.400     0    0.022   0.032     0.509  100.000   98.095
LGA    I    18_A      I    18_A     0.301     0    0.019   0.048     0.398  100.000  100.000
LGA    D    19_A      D    19_A     0.360     0    0.026   0.124     0.790  100.000   97.619
LGA    R    20_A      R    20_A     0.386     0    0.047   1.115     3.071  100.000   86.277
LGA    R    21_A      R    21_A     0.488     0    0.019   0.723     2.085   97.619   91.645
LGA    G    22_A      G    22_A     0.533     0    0.024   0.024     0.533   95.238   95.238
LGA    S    23_A      S    23_A     0.370     0    0.056   0.061     0.406  100.000  100.000
LGA    F    24_A      F    24_A     0.458     0    0.018   0.312     1.305   97.619   94.892
LGA    A    25_A      A    25_A     0.636     0    0.018   0.026     0.718   90.476   90.476
LGA    A    26_A      A    26_A     0.316     0    0.060   0.058     0.503   97.619   98.095
LGA    A    27_A      A    27_A     0.311     0    0.023   0.023     0.440  100.000  100.000
LGA    A    28_A      A    28_A     0.468     0    0.038   0.052     0.667   95.238   96.190
LGA    D    29_A      D    29_A     0.706     0    0.040   0.671     2.455   90.476   81.845
LGA    E    30_A      E    30_A     0.623     0    0.019   0.215     0.969   90.476   92.593
LGA    L    31_A      L    31_A     0.610     0    0.031   0.069     0.693   90.476   90.476
LGA    G    32_A      G    32_A     0.857     0    0.018   0.018     0.857   90.476   90.476
LGA    R    33_A      R    33_A     0.811     0    0.035   1.521     6.459   90.476   63.983
LGA    V    34_A      V    34_A     0.822     0    0.062   0.104     1.041   90.476   89.184
LGA    P    35_A      P    35_A     0.345     0    0.013   0.023     0.794   97.619   95.918
LGA    S    36_A      S    36_A     0.594     0    0.107   0.631     3.617   97.619   85.873
LGA    A    37_A      A    37_A     0.361     0    0.030   0.038     0.501  100.000   98.095
LGA    L    38_A      L    38_A     0.124     0    0.049   0.067     0.427  100.000  100.000
LGA    S    39_A      S    39_A     0.195     0    0.031   0.029     0.324  100.000  100.000
LGA    Y    40_A      Y    40_A     0.333     0    0.016   0.037     0.827  100.000   94.444
LGA    T    41_A      T    41_A     0.334     0    0.008   0.042     0.387  100.000  100.000
LGA    M    42_A      M    42_A     0.365     0    0.017   0.087     0.507   97.619   98.810
LGA    Q    43_A      Q    43_A     0.456     0    0.076   0.888     4.625   97.619   79.630
LGA    K    44_A      K    44_A     0.488     0    0.040   0.779     4.601   95.238   81.376
LGA    L    45_A      L    45_A     0.785     0    0.014   0.056     0.949   90.476   90.476
LGA    E    46_A      E    46_A     0.758     0    0.050   0.162     1.155   90.476   89.471
LGA    E    47_A      E    47_A     0.629     0    0.027   0.233     0.918   90.476   91.534
LGA    E    48_A      E    48_A     0.874     0    0.022   0.365     1.332   90.476   90.529
LGA    L    49_A      L    49_A     0.944     0    0.008   0.127     1.134   90.476   89.345
LGA    D    50_A      D    50_A     0.655     0    0.026   0.434     1.049   90.476   90.536
LGA    V    51_A      V    51_A     0.870     0    0.069   0.088     1.276   90.476   86.599
LGA    V    52_A      V    52_A     0.874     0    0.026   0.052     1.174   90.476   86.599
LGA    L    53_A      L    53_A     0.471     0    0.065   0.089     0.995   97.619   94.048
LGA    F    54_A      F    54_A     0.175     0    0.108   0.111     0.596  100.000   98.268
LGA    D    55_A      D    55_A     0.101     0    0.061   0.221     1.415   92.976   90.595
LGA    R    56_A      R    56_A     1.323     0    0.060   0.401     5.450   83.810   61.039
LGA    S    57_A      S    57_A     0.822     0    0.672   0.587     3.637   78.810   81.190
LGA    R    60_A      R    60_A     0.859     6    0.150   0.203     1.404   88.214   39.481
LGA    T    61_A      T    61_A     0.667     0    0.055   0.762     2.223   95.238   88.231
LGA    K    62_A      K    62_A     0.197     0    0.016   0.908     3.590  100.000   87.090
LGA    F    63_A      F    63_A     0.261     0    0.022   0.158     0.874  100.000   97.403
LGA    T    64_A      T    64_A     0.532     0    0.017   0.041     0.661   92.857   91.837
LGA    N    65_A      N    65_A     0.513     0    0.025   0.168     1.050   90.476   91.726
LGA    V    66_A      V    66_A     0.468     0    0.025   0.087     0.569   92.857   94.558
LGA    G    67_A      G    67_A     0.678     0    0.049   0.049     0.678   90.476   90.476
LGA    R    68_A      R    68_A     0.734     0    0.084   1.316     6.217   92.857   69.351
LGA    M    69_A      M    69_A     0.517     0    0.019   1.066     3.428   95.238   90.179
LGA    L    70_A      L    70_A     0.435     0    0.016   0.276     0.696  100.000   96.429
LGA    L    71_A      L    71_A     0.523     0    0.010   0.346     0.959   92.857   92.857
LGA    E    72_A      E    72_A     0.815     0    0.006   0.566     3.062   90.476   81.005
LGA    R    73_A      R    73_A     0.881     0    0.044   1.233     3.252   90.476   80.303
LGA    G    74_A      G    74_A     0.501     0    0.094   0.094     0.501   97.619   97.619
LGA    R    75_A      R    75_A     0.197     0    0.118   0.208     0.820   97.619   97.403
LGA    V    76_A      V    76_A     0.431     0    0.023   0.043     0.503   97.619   98.639
LGA    L    77_A      L    77_A     0.483     0    0.032   0.927     3.063   95.238   87.857
LGA    L    78_A      L    78_A     0.517     0    0.049   0.100     0.592   90.476   92.857
LGA    E    79_A      E    79_A     0.463     0    0.017   0.680     2.676   97.619   79.894
LGA    A    80_A      A    80_A     0.476     0    0.047   0.054     0.627  100.000   98.095
LGA    A    81_A      A    81_A     0.474     0    0.017   0.029     0.487  100.000  100.000
LGA    D    82_A      D    82_A     0.418     0    0.053   0.931     3.185  100.000   85.000
LGA    K    83_A      K    83_A     0.321     0    0.042   0.605     1.583  100.000   95.926
LGA    L    84_A      L    84_A     0.247     0    0.014   1.394     3.437  100.000   85.000
LGA    T    85_A      T    85_A     0.325     0    0.027   0.060     0.551  100.000   98.639
LGA    T    86_A      T    86_A     0.177     0    0.020   0.039     0.370  100.000  100.000
LGA    D    87_A      D    87_A     0.156     0    0.024   0.083     0.355  100.000  100.000
LGA    A    88_A      A    88_A     0.398     0    0.022   0.030     0.510   97.619   98.095
LGA    E    89_A      E    89_A     0.402     0    0.013   0.199     1.079   97.619   94.762
LGA    A    90_A      A    90_A     0.532     0    0.033   0.042     0.711   92.857   94.286
LGA    L    91_A      L    91_A     0.662     0    0.048   1.409     3.845   90.476   75.357
LGA    A    92_A      A    92_A     0.670     0    0.023   0.036     0.826   90.476   90.476
LGA    R    93_A      R    93_A     0.676     0    0.047   1.345     5.645   88.214   76.061
LGA    L    94_A      L    94_A     0.930     0    0.129   0.177     1.446   85.952   88.214
LGA    E    95_A      E    95_A     1.222     0    0.222   0.313     2.609   73.214   80.794
LGA    H    96_A      H    96_A     1.339     0    0.424   0.454     7.807   60.119   41.857
LGA    H    97_A      H    97_A     8.934     0    0.651   1.076    12.815    5.000    2.000
LGA    H    98_A      H    98_A    12.829     0    0.685   0.693    17.503    0.000    0.000
LGA    H    99_A      H    99_A    14.085     0    0.600   1.360    15.306    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       96     384    384  100.00     752    752  100.00                96
SUMMARY(RMSD_GDC):     2.548          2.563                  3.321           89.048   84.176

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     91    0.81    94.010    95.134    10.025

LGA_LOCAL      RMSD:   0.808  Number of atoms:   91  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.644  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.548  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.632594 * X  +   0.744760 * Y  +  -0.212501 * Z  +   1.864640
  Y_new =   0.185022 * X  +   0.121108 * Y  +   0.975243 * Z  +  22.116257
  Z_new =   0.752058 * X  +  -0.656251 * Y  +  -0.061185 * Z  +  13.591861 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.284545 -0.851179 -1.663762   [DEG:   16.3032  -48.7690  -95.3265 ]
ZXZ: -2.927051  1.632020  2.288269   [DEG: -167.7076   93.5078  131.1082 ]
 
# END of job
