
#######################################################
#                                                     #
#                        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   98 (  770),  selected   95 , name one
# Molecule2: number of CA atoms   96 (  752),  selected   95 , 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:    95       2_A - 98_A        2.98     2.98
  LCS_AVERAGE:     98.96

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    93       2_A - 96_A        1.83     3.10
  LCS_AVERAGE:     95.90

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       4_A - 95_A        0.98     3.16
  LCS_AVERAGE:     89.05

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   95
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   93   95      3    3    3    3    5    7   20   22   49   72   77   88   91   91   92   93   93   93   94   94 
LCS_GDT     K     3_A     K     3_A      3   93   95      3    4    5    5   12   26   60   79   89   90   90   90   91   92   92   93   93   93   94   94 
LCS_GDT     E     4_A     E     4_A     90   93   95      3    4    5    8   21   70   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     R     5_A     R     5_A     90   93   95     48   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     A     6_A     A     6_A     90   93   95     41   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     L     7_A     L     7_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     T     8_A     T     8_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     L     9_A     L     9_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     E    10_A     E    10_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     A    11_A     A    11_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     L    12_A     L    12_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     R    13_A     R    13_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     V    14_A     V    14_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     M    15_A     M    15_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     D    16_A     D    16_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     A    17_A     A    17_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     I    18_A     I    18_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     D    19_A     D    19_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     R    20_A     R    20_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     R    21_A     R    21_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     G    22_A     G    22_A     90   93   95     57   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     S    23_A     S    23_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     F    24_A     F    24_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     A    25_A     A    25_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     A    26_A     A    26_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     A    27_A     A    27_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     A    28_A     A    28_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     D    29_A     D    29_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     E    30_A     E    30_A     90   93   95     61   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     L    31_A     L    31_A     90   93   95     57   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     G    32_A     G    32_A     90   93   95     45   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     R    33_A     R    33_A     90   93   95     45   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     V    34_A     V    34_A     90   93   95     51   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     P    35_A     P    35_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     S    36_A     S    36_A     90   93   95     55   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     A    37_A     A    37_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     L    38_A     L    38_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     S    39_A     S    39_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     Y    40_A     Y    40_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     T    41_A     T    41_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     M    42_A     M    42_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     Q    43_A     Q    43_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     K    44_A     K    44_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     L    45_A     L    45_A     90   93   95     33   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     E    46_A     E    46_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     E    47_A     E    47_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     E    48_A     E    48_A     90   93   95     14   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     L    49_A     L    49_A     90   93   95     14   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     D    50_A     D    50_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     V    51_A     V    51_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     V    52_A     V    52_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     L    53_A     L    53_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     F    54_A     F    54_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     D    55_A     D    55_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     R    56_A     R    56_A     90   93   95     18   76   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     S    57_A     S    57_A     90   93   95     54   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     R    60_A     R    60_A     90   93   95     40   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     T    61_A     T    61_A     90   93   95     54   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     K    62_A     K    62_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     F    63_A     F    63_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     T    64_A     T    64_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     N    65_A     N    65_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     V    66_A     V    66_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     G    67_A     G    67_A     90   93   95     52   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     R    68_A     R    68_A     90   93   95     39   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     M    69_A     M    69_A     90   93   95     41   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     L    70_A     L    70_A     90   93   95     46   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     L    71_A     L    71_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     E    72_A     E    72_A     90   93   95     11   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     R    73_A     R    73_A     90   93   95     58   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     G    74_A     G    74_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     R    75_A     R    75_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     V    76_A     V    76_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     L    77_A     L    77_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     L    78_A     L    78_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     E    79_A     E    79_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     A    80_A     A    80_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     A    81_A     A    81_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     D    82_A     D    82_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     K    83_A     K    83_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     L    84_A     L    84_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     T    85_A     T    85_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     T    86_A     T    86_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     D    87_A     D    87_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     A    88_A     A    88_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     E    89_A     E    89_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     A    90_A     A    90_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     L    91_A     L    91_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     A    92_A     A    92_A     90   93   95     62   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     R    93_A     R    93_A     90   93   95     57   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     L    94_A     L    94_A     90   93   95     27   86   88   88   88   88   89   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     E    95_A     E    95_A     90   93   95      4    5    6    6   71   77   86   89   90   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     H    96_A     H    96_A      5   93   95      4    5    6    6   41   53   65   70   88   91   91   91   91   92   92   93   93   93   94   94 
LCS_GDT     H    97_A     H    97_A      5   92   95      4    5    6    6    6    8   11   18   23   26   27   30   32   32   88   90   92   93   94   94 
LCS_GDT     H    98_A     H    98_A      5    5   95      3    5    6    6    6    6    6    8   11   15   26   26   28   30   33   34   34   34   35   35 
LCS_AVERAGE  LCS_A:  94.63  (  89.05   95.90   98.96 )

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     62     86     88     88     88     88     89     89     90     91     91     91     91     92     92     93     93     93     94     94 
GDT PERCENT_AT  64.58  89.58  91.67  91.67  91.67  91.67  92.71  92.71  93.75  94.79  94.79  94.79  94.79  95.83  95.83  96.87  96.87  96.87  97.92  97.92
GDT RMS_LOCAL    0.28   0.44   0.48   0.48   0.48   0.48   0.68   0.68   0.98   1.31   1.31   1.31   1.31   1.52   1.52   1.83   1.83   1.83   2.28   2.28
GDT RMS_ALL_AT   3.24   3.22   3.22   3.22   3.22   3.22   3.22   3.22   3.16   3.08   3.08   3.08   3.08   3.09   3.09   3.10   3.10   3.10   3.02   3.02

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  F    24_A      F    24_A
#   possible swapping detected:  D    29_A      D    29_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    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     9.896     0    0.429   0.419    10.319    1.548    1.333
LGA    K     3_A      K     3_A     7.360     0    0.441   1.244    16.984   24.048   11.058
LGA    E     4_A      E     4_A     4.403     0    0.068   1.189    10.363   36.190   18.042
LGA    R     5_A      R     5_A     0.901     0    0.308   0.957    10.752   88.214   46.364
LGA    A     6_A      A     6_A     0.893     0    0.100   0.098     1.264   88.214   86.857
LGA    L     7_A      L     7_A     0.609     0    0.089   0.120     0.824   90.476   90.476
LGA    T     8_A      T     8_A     0.176     0    0.029   0.071     0.528  100.000   98.639
LGA    L     9_A      L     9_A     0.211     0    0.021   0.072     0.385  100.000  100.000
LGA    E    10_A      E    10_A     0.336     0    0.048   0.996     3.392  100.000   85.397
LGA    A    11_A      A    11_A     0.188     0    0.031   0.039     0.223  100.000  100.000
LGA    L    12_A      L    12_A     0.097     0    0.044   0.043     0.313  100.000  100.000
LGA    R    13_A      R    13_A     0.081     0    0.034   0.198     0.824  100.000   98.268
LGA    V    14_A      V    14_A     0.148     0    0.027   0.029     0.215  100.000  100.000
LGA    M    15_A      M    15_A     0.215     0    0.028   0.802     2.632  100.000   94.643
LGA    D    16_A      D    16_A     0.232     0    0.027   0.152     0.651  100.000   96.429
LGA    A    17_A      A    17_A     0.154     0    0.024   0.030     0.258  100.000  100.000
LGA    I    18_A      I    18_A     0.161     0    0.029   0.056     0.225  100.000  100.000
LGA    D    19_A      D    19_A     0.173     0    0.022   0.118     0.550  100.000   98.810
LGA    R    20_A      R    20_A     0.244     0    0.069   0.293     0.953  100.000   98.268
LGA    R    21_A      R    21_A     0.506     0    0.024   0.752     2.741   92.857   90.043
LGA    G    22_A      G    22_A     0.575     0    0.025   0.025     0.576   95.238   95.238
LGA    S    23_A      S    23_A     0.334     0    0.023   0.092     0.517  100.000   98.413
LGA    F    24_A      F    24_A     0.351     0    0.025   0.314     1.186  100.000   95.758
LGA    A    25_A      A    25_A     0.434     0    0.023   0.021     0.537  100.000   98.095
LGA    A    26_A      A    26_A     0.048     0    0.067   0.066     0.643   97.619   98.095
LGA    A    27_A      A    27_A     0.016     0    0.013   0.013     0.215  100.000  100.000
LGA    A    28_A      A    28_A     0.317     0    0.032   0.037     0.454  100.000  100.000
LGA    D    29_A      D    29_A     0.476     0    0.035   0.765     2.415   97.619   87.679
LGA    E    30_A      E    30_A     0.484     0    0.016   0.225     1.042   95.238   92.646
LGA    L    31_A      L    31_A     0.576     0    0.035   0.063     0.638   90.476   92.857
LGA    G    32_A      G    32_A     0.838     0    0.014   0.014     0.838   90.476   90.476
LGA    R    33_A      R    33_A     0.798     0    0.028   1.473     6.488   90.476   64.372
LGA    V    34_A      V    34_A     0.732     0    0.038   0.095     1.038   90.476   89.184
LGA    P    35_A      P    35_A     0.318     0    0.010   0.036     0.692  100.000   97.279
LGA    S    36_A      S    36_A     0.602     0    0.119   0.620     3.611   97.619   85.873
LGA    A    37_A      A    37_A     0.297     0    0.037   0.041     0.370  100.000  100.000
LGA    L    38_A      L    38_A     0.230     0    0.031   0.048     0.382  100.000  100.000
LGA    S    39_A      S    39_A     0.267     0    0.029   0.030     0.394  100.000  100.000
LGA    Y    40_A      Y    40_A     0.150     0    0.014   0.051     0.265  100.000  100.000
LGA    T    41_A      T    41_A     0.166     0    0.009   0.043     0.221  100.000  100.000
LGA    M    42_A      M    42_A     0.231     0    0.025   0.092     0.328  100.000  100.000
LGA    Q    43_A      Q    43_A     0.188     0    0.082   0.114     1.303  100.000   92.751
LGA    K    44_A      K    44_A     0.396     0    0.044   0.757     5.225   95.238   78.307
LGA    L    45_A      L    45_A     0.737     0    0.015   0.054     1.098   90.476   88.214
LGA    E    46_A      E    46_A     0.508     0    0.033   0.177     1.017   92.857   90.529
LGA    E    47_A      E    47_A     0.448     0    0.037   0.268     1.169   95.238   92.646
LGA    E    48_A      E    48_A     0.856     0    0.033   0.223     1.046   88.214   89.471
LGA    L    49_A      L    49_A     0.741     0    0.020   0.122     1.211   90.476   89.345
LGA    D    50_A      D    50_A     0.445     0    0.031   0.208     0.917   97.619   97.619
LGA    V    51_A      V    51_A     0.496     0    0.051   0.091     1.069   97.619   93.265
LGA    V    52_A      V    52_A     0.512     0    0.011   0.045     0.697   95.238   93.197
LGA    L    53_A      L    53_A     0.561     0    0.048   0.065     1.270   95.238   89.464
LGA    F    54_A      F    54_A     0.255     0    0.087   0.124     0.420  100.000  100.000
LGA    D    55_A      D    55_A     0.406     0    0.008   0.469     1.318   97.619   92.917
LGA    R    56_A      R    56_A     1.322     0    0.036   0.447     5.092   83.690   62.814
LGA    S    57_A      S    57_A     0.904     0    0.674   0.599     3.755   74.286   81.270
LGA    R    60_A      R    60_A     1.202     6    0.123   0.191     1.827   81.548   37.056
LGA    T    61_A      T    61_A     0.759     0    0.082   0.529     1.618   88.214   86.667
LGA    K    62_A      K    62_A     0.361     0    0.012   0.897     3.882  100.000   85.291
LGA    F    63_A      F    63_A     0.242     0    0.036   0.165     0.695  100.000   97.403
LGA    T    64_A      T    64_A     0.392     0    0.011   0.062     0.647   95.238   94.558
LGA    N    65_A      N    65_A     0.504     0    0.032   0.166     0.863   92.857   95.238
LGA    V    66_A      V    66_A     0.510     0    0.017   0.085     0.628   90.476   93.197
LGA    G    67_A      G    67_A     0.684     0    0.040   0.040     0.684   90.476   90.476
LGA    R    68_A      R    68_A     0.716     0    0.078   1.459     5.196   92.857   72.944
LGA    M    69_A      M    69_A     0.761     0    0.019   1.141     3.372   90.476   85.476
LGA    L    70_A      L    70_A     0.740     0    0.010   1.335     2.742   90.476   81.964
LGA    L    71_A      L    71_A     0.556     0    0.048   0.072     0.569   90.476   95.238
LGA    E    72_A      E    72_A     0.663     0    0.019   0.093     1.379   90.476   86.455
LGA    R    73_A      R    73_A     0.489     0    0.052   1.216     3.857  100.000   85.584
LGA    G    74_A      G    74_A     0.336     0    0.051   0.051     0.336  100.000  100.000
LGA    R    75_A      R    75_A     0.163     0    0.080   0.181     0.767  100.000   96.537
LGA    V    76_A      V    76_A     0.101     0    0.016   0.017     0.153  100.000  100.000
LGA    L    77_A      L    77_A     0.180     0    0.026   0.914     3.157  100.000   90.238
LGA    L    78_A      L    78_A     0.167     0    0.056   0.107     0.359  100.000  100.000
LGA    E    79_A      E    79_A     0.097     0    0.017   0.948     2.985  100.000   80.952
LGA    A    80_A      A    80_A     0.217     0    0.065   0.068     0.428  100.000  100.000
LGA    A    81_A      A    81_A     0.150     0    0.052   0.055     0.185  100.000  100.000
LGA    D    82_A      D    82_A     0.230     0    0.024   0.165     0.740  100.000   96.429
LGA    K    83_A      K    83_A     0.179     0    0.044   0.657     1.959  100.000   95.926
LGA    L    84_A      L    84_A     0.136     0    0.020   1.404     3.712  100.000   83.155
LGA    T    85_A      T    85_A     0.221     0    0.017   0.033     0.395  100.000  100.000
LGA    T    86_A      T    86_A     0.127     0    0.026   0.045     0.169  100.000  100.000
LGA    D    87_A      D    87_A     0.049     0    0.036   0.052     0.276  100.000  100.000
LGA    A    88_A      A    88_A     0.053     0    0.024   0.024     0.090  100.000  100.000
LGA    E    89_A      E    89_A     0.053     0    0.020   0.343     1.416  100.000   95.820
LGA    A    90_A      A    90_A     0.132     0    0.030   0.034     0.215  100.000  100.000
LGA    L    91_A      L    91_A     0.154     0    0.030   1.424     3.571  100.000   82.262
LGA    A    92_A      A    92_A     0.176     0    0.043   0.047     0.682   97.619   98.095
LGA    R    93_A      R    93_A     0.673     0    0.254   0.534     3.948   88.452   74.113
LGA    L    94_A      L    94_A     0.938     0    0.387   0.382     8.491   72.024   46.369
LGA    E    95_A      E    95_A     7.015     0    0.538   0.695    12.775   14.286    6.720
LGA    H    96_A      H    96_A     9.207     0    0.300   1.101    13.784    2.143    5.286
LGA    H    97_A      H    97_A    14.661     0    0.462   1.096    17.923    0.000    0.000
LGA    H    98_A      H    98_A    21.066     0    0.101   1.217    24.030    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       95     380    380  100.00     742    742  100.00                96
SUMMARY(RMSD_GDC):     2.976          3.031                  3.688           88.841   84.082

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   98   96    4.0     89    0.68    92.708    93.675    11.482

LGA_LOCAL      RMSD:   0.675  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.221  Number of assigned atoms:   95 
Std_ASGN_ATOMS RMSD:   2.976  Standard rmsd on all 95 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.281429 * X  +   0.827492 * Y  +  -0.485855 * Z  +   1.257497
  Y_new =   0.079929 * X  +   0.484345 * Y  +   0.871218 * Z  +  22.292807
  Z_new =   0.956247 * X  +  -0.284020 * Y  +   0.070168 * Z  +  13.799482 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.276725 -1.273894 -1.328594   [DEG:   15.8552  -72.9887  -76.1228 ]
ZXZ: -2.632878  1.500571  1.859513   [DEG: -150.8528   85.9764  106.5422 ]
 
# END of job
