
#######################################################
#                                                     #
#                        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 (  868),  selected   90 , name one
# Molecule2: number of CA atoms   90 (  715),  selected   90 , 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:    90       1_A - 90_A        1.40     1.40
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.40     1.40
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54       1_A - 54_A        0.70     1.45
  LONGEST_CONTINUOUS_SEGMENT:    54       2_A - 55_A        0.98     1.41
  LCS_AVERAGE:     50.19

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   90
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     M     1_A     M     1_A     54   90   90      5   17   76   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     54   90   90     55   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     54   90   90     60   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     54   90   90     28   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     54   90   90     31   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     54   90   90     47   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     54   90   90     42   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     54   90   90     63   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     54   90   90     42   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     54   90   90     39   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     54   90   90     63   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     54   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     54   90   90     10   67   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     54   90   90     18   78   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A     54   90   90      7   49   82   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A     54   90   90     57   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A     54   90   90      3    3    9   22   35   69   82   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      3   90   90      0    3    4    5    9   14   19   39   63   82   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   90   90      0    3    3    7   52   83   86   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   90   90      4    4   76   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   90   90      4    6   37   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     47   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90     59   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     59   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90     64   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90     39   80   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90      4   75   83   85   86   87   87   89   89   89   90   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  83.40  (  50.19  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     64     80     83     85     86     87     87     89     89     89     90     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  71.11  88.89  92.22  94.44  95.56  96.67  96.67  98.89  98.89  98.89 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.43   0.51   0.61   0.67   0.73   0.73   1.12   1.12   1.12   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40
GDT RMS_ALL_AT   1.47   1.48   1.46   1.45   1.45   1.45   1.45   1.41   1.41   1.41   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40   1.40

# Checking swapping
#   possible swapping detected:  F     3_A      F     3_A
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  D     6_A      D     6_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  D    23_A      D    23_A
#   possible swapping detected:  Y    46_A      Y    46_A
#   possible swapping detected:  Y    52_A      Y    52_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  Y    85_A      Y    85_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     2.831     0    0.207   0.981     4.704   63.214   56.190
LGA    L     2_A      L     2_A     0.794     0    0.093   1.163     2.677   88.214   81.071
LGA    F     3_A      F     3_A     0.729     0    0.089   0.111     1.175   88.214   85.541
LGA    E     4_A      E     4_A     0.405     0    0.134   0.347     1.252   95.238   94.762
LGA    G     5_A      G     5_A     1.089     0    0.023   0.023     1.129   83.690   83.690
LGA    D     6_A      D     6_A     1.381     0    0.084   0.791     4.328   81.429   66.964
LGA    K     7_A      K     7_A     1.248     0    0.034   0.747     3.883   83.690   78.201
LGA    F     8_A      F     8_A     0.970     0    0.035   0.104     1.140   85.952   88.874
LGA    V     9_A      V     9_A     0.731     0    0.023   0.047     0.972   90.476   90.476
LGA    G    10_A      G    10_A     0.116     0    0.061   0.061     0.443  100.000  100.000
LGA    S    11_A      S    11_A     0.233     0    0.049   0.645     2.414  100.000   94.127
LGA    F    12_A      F    12_A     0.256     0    0.035   0.100     0.440  100.000  100.000
LGA    E    13_A      E    13_A     0.574     0    0.017   0.594     2.934   92.857   82.011
LGA    N    14_A      N    14_A     0.557     0    0.024   0.578     2.692   90.476   82.083
LGA    A    15_A      A    15_A     0.299     0    0.074   0.090     0.414  100.000  100.000
LGA    A    16_A      A    16_A     0.349     0    0.044   0.054     0.672  100.000   98.095
LGA    A    17_A      A    17_A     0.506     0    0.024   0.031     0.576   92.857   92.381
LGA    G    18_A      G    18_A     0.472     0    0.088   0.088     0.571   97.619   97.619
LGA    T    19_A      T    19_A     0.401     0    0.029   0.097     0.734  100.000   97.279
LGA    F    20_A      F    20_A     0.263     0    0.020   0.124     0.450  100.000  100.000
LGA    V    21_A      V    21_A     0.115     0    0.011   0.053     0.274  100.000  100.000
LGA    L    22_A      L    22_A     0.217     0    0.030   0.069     0.426  100.000  100.000
LGA    D    23_A      D    23_A     0.329     0    0.047   0.622     1.818  100.000   91.905
LGA    M    24_A      M    24_A     0.308     0    0.116   0.671     2.680  100.000   86.667
LGA    Y    25_A      Y    25_A     0.372     0    0.003   0.065     1.029  100.000   93.690
LGA    A    26_A      A    26_A     0.247     0    0.050   0.066     0.331  100.000  100.000
LGA    Y    27_A      Y    27_A     0.163     0    0.032   0.319     1.435  100.000   92.976
LGA    E    28_A      E    28_A     0.400     0    0.012   0.759     3.383  100.000   81.005
LGA    R    29_A      R    29_A     0.469     0    0.008   1.568     5.368  100.000   70.216
LGA    L    30_A      L    30_A     0.337     0    0.050   0.067     0.472  100.000  100.000
LGA    A    31_A      A    31_A     0.396     0    0.038   0.051     0.396  100.000  100.000
LGA    N    32_A      N    32_A     0.227     0    0.120   0.117     0.818   97.619   95.238
LGA    S    33_A      S    33_A     0.176     0    0.098   0.109     0.303  100.000  100.000
LGA    I    34_A      I    34_A     0.379     0    0.089   0.203     0.853   97.619   97.619
LGA    S    35_A      S    35_A     0.397     0    0.085   0.617     2.074  100.000   94.127
LGA    T    36_A      T    36_A     0.666     0    0.028   0.037     0.823   90.476   90.476
LGA    E    37_A      E    37_A     0.832     0    0.012   1.041     3.558   90.476   74.127
LGA    K    38_A      K    38_A     0.430     0    0.030   0.971     4.072   97.619   78.730
LGA    L    39_A      L    39_A     0.381     0    0.036   0.163     0.683  100.000   97.619
LGA    R    40_A      R    40_A     0.550     0    0.026   0.447     1.018   95.238   91.385
LGA    Q    41_A      Q    41_A     0.410     0    0.012   1.136     4.699  100.000   83.492
LGA    Y    42_A      Y    42_A     0.319     0    0.020   0.119     0.515  100.000   99.206
LGA    A    43_A      A    43_A     0.520     0    0.015   0.017     0.592   97.619   96.190
LGA    S    44_A      S    44_A     0.462     0    0.094   0.595     2.312   97.619   92.540
LGA    T    45_A      T    45_A     0.393     0    0.077   0.107     0.443  100.000  100.000
LGA    Y    46_A      Y    46_A     0.475     0    0.010   0.058     0.569   97.619   99.206
LGA    N    47_A      N    47_A     0.412     0    0.060   0.410     1.475  100.000   96.488
LGA    K    48_A      K    48_A     0.494     0    0.010   0.708     2.419  100.000   93.968
LGA    Y    49_A      Y    49_A     0.470     0    0.057   0.144     0.706   97.619   95.238
LGA    K    50_A      K    50_A     0.536     0    0.081   0.708     4.404   90.595   74.921
LGA    Y    51_A      Y    51_A     1.345     0    0.081   0.199     3.381   83.690   67.381
LGA    Y    52_A      Y    52_A     0.864     0    0.127   0.164     1.063   85.952   90.556
LGA    S    53_A      S    53_A     1.817     0    0.214   0.669     4.645   71.071   63.413
LGA    G    54_A      G    54_A     1.168     0    0.711   0.711     3.344   71.667   71.667
LGA    S    55_A      S    55_A     5.535     0    0.689   0.813     8.899   25.476   19.127
LGA    A    56_A      A    56_A     8.220     0    0.666   0.619    10.392   11.310    9.048
LGA    S    57_A      S    57_A     5.349     0    0.615   0.594     8.238   33.214   25.159
LGA    E    58_A      E    58_A     2.928     0    0.639   1.191    11.859   60.952   31.005
LGA    A    59_A      A    59_A     2.232     0    0.096   0.110     2.521   69.048   68.190
LGA    D    60_A      D    60_A     0.512     0    0.270   0.919     2.877   92.857   80.952
LGA    Y    61_A      Y    61_A     0.952     0    0.042   0.127     1.025   88.214   89.722
LGA    R    62_A      R    62_A     0.983     0    0.034   1.268     6.962   90.476   60.303
LGA    L    63_A      L    63_A     0.606     0    0.029   1.008     3.079   90.476   83.214
LGA    A    64_A      A    64_A     0.427     0    0.029   0.037     0.463  100.000  100.000
LGA    C    65_A      C    65_A     0.468     0    0.036   0.082     0.505   97.619   98.413
LGA    F    66_A      F    66_A     0.414     0    0.023   0.093     0.714  100.000   94.805
LGA    A    67_A      A    67_A     0.285     0    0.018   0.027     0.358  100.000  100.000
LGA    H    68_A      H    68_A     0.204     0    0.024   0.084     0.336  100.000  100.000
LGA    L    69_A      L    69_A     0.249     0    0.030   0.056     0.414  100.000  100.000
LGA    A    70_A      A    70_A     0.253     0    0.012   0.012     0.316  100.000  100.000
LGA    K    71_A      K    71_A     0.198     0    0.040   0.536     2.511  100.000   93.122
LGA    A    72_A      A    72_A     0.189     0    0.056   0.066     0.259  100.000  100.000
LGA    M    73_A      M    73_A     0.396     0    0.029   0.077     0.510   97.619   98.810
LGA    M    74_A      M    74_A     0.389     0    0.065   0.740     2.118  100.000   92.024
LGA    D    75_A      D    75_A     0.225     0    0.010   0.217     0.946  100.000   97.619
LGA    Y    76_A      Y    76_A     0.256     0    0.036   0.101     0.831  100.000   95.238
LGA    A    77_A      A    77_A     0.423     0    0.025   0.025     0.584   95.238   96.190
LGA    S    78_A      S    78_A     0.581     0    0.042   0.611     2.252   90.476   86.190
LGA    N    79_A      N    79_A     0.534     0    0.011   0.191     0.715   90.476   92.857
LGA    H    80_A      H    80_A     0.526     0    0.065   0.569     1.607   90.476   86.000
LGA    N    81_A      N    81_A     0.548     0    0.028   1.331     3.755   92.857   78.512
LGA    D    82_A      D    82_A     0.266     0    0.038   0.391     1.427   97.619   95.298
LGA    T    83_A      T    83_A     0.496     0    0.062   0.625     1.499  100.000   93.333
LGA    L    84_A      L    84_A     0.165     0    0.110   0.108     1.027   97.619   94.107
LGA    Y    85_A      Y    85_A     0.215     0    0.023   0.060     0.426  100.000  100.000
LGA    T    86_A      T    86_A     0.236     0    0.051   0.106     0.492  100.000  100.000
LGA    P    87_A      P    87_A     0.216     0    0.046   0.294     0.630   97.619   95.918
LGA    P    88_A      P    88_A     0.665     0    0.039   0.205     1.024   97.619   94.626
LGA    T    89_A      T    89_A     0.936     0    0.020   0.250     2.564   92.857   83.265
LGA    V    90_A      V    90_A     1.095     0    0.247   0.361     2.009   81.548   80.408

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       90     360    360  100.00     715    715  100.00                90
SUMMARY(RMSD_GDC):     1.399          1.315                  1.785           91.979   87.143

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     89    1.12    95.556    97.305     7.322

LGA_LOCAL      RMSD:   1.115  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.408  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.399  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.802696 * X  +   0.423892 * Y  +   0.419517 * Z  + -10.611507
  Y_new =   0.301835 * X  +   0.895435 * Y  +  -0.327248 * Z  +  21.584293
  Z_new =  -0.514369 * X  +  -0.136056 * Y  +  -0.846708 * Z  +  -0.791641 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.781922  0.540271 -2.982266   [DEG:  159.3924   30.9553 -170.8713 ]
ZXZ:  0.908333  2.580563 -1.829385   [DEG:   52.0437  147.8553 -104.8160 ]
 
# END of job
