
#######################################################
#                                                     #
#                        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 (  791),  selected  100 , name one
# Molecule2: number of CA atoms  106 (  830),  selected  100 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       2_B - 101_B       3.03     3.03
  LCS_AVERAGE:     94.34

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       2_B - 82_B        1.56     3.30
  LONGEST_CONTINUOUS_SEGMENT:    81       3_B - 83_B        1.94     3.17
  LCS_AVERAGE:     65.05

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78       4_B - 81_B        0.93     3.33
  LCS_AVERAGE:     60.14

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  100
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     2_B     G     2_B      3   81  100      0    3    3    3    4    4   14   76   82   92   94   94   94   96   96   96   98   99   99   99 
LCS_GDT     V     3_B     V     3_B     77   81  100      1    3    4    5    8   13   66   92   93   93   94   95   95   96   96   96   98   99   99   99 
LCS_GDT     S     4_B     S     4_B     78   81  100     13   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     D     5_B     D     5_B     78   81  100      4   36   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     V     6_B     V     6_B     78   81  100     13   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     P     7_B     P     7_B     78   81  100     14   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     R     8_B     R     8_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     D     9_B     D     9_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     L    10_B     L    10_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     E    11_B     E    11_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     V    12_B     V    12_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     V    13_B     V    13_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     A    14_B     A    14_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     A    15_B     A    15_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     T    16_B     T    16_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     P    17_B     P    17_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     T    18_B     T    18_B     78   81  100     60   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     S    19_B     S    19_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     L    20_B     L    20_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     L    21_B     L    21_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     I    22_B     I    22_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     S    23_B     S    23_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     W    24_B     W    24_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     D    25_B     D    25_B     78   81  100     58   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     A    26_B     A    26_B     78   81  100     14   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     P    27_B     P    27_B     78   81  100     14   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     P    28_B     P    28_B     78   81  100     13   36   84   86   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     Y    29_B     Y    29_B     78   81  100      4   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     Y    30_B     Y    30_B     78   81  100     59   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     V    31_B     V    31_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     R    32_B     R    32_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     Y    33_B     Y    33_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     Y    34_B     Y    34_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     R    35_B     R    35_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     I    36_B     I    36_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     T    37_B     T    37_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     Y    38_B     Y    38_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     G    39_B     G    39_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     E    40_B     E    40_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     T    41_B     T    41_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     G    42_B     G    42_B     78   81  100     60   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     G    43_B     G    43_B     78   81  100     30   77   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     N    44_B     N    44_B     78   81  100      5   28   81   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     S    45_B     S    45_B     78   81  100      5   28   81   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     P    46_B     P    46_B     78   81  100      5   29   81   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     V    47_B     V    47_B     78   81  100     56   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     Q    48_B     Q    48_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     E    49_B     E    49_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     F    50_B     F    50_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     T    51_B     T    51_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     V    52_B     V    52_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     P    53_B     P    53_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     G    54_B     G    54_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     S    55_B     S    55_B     78   81  100     54   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     K    56_B     K    56_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     S    57_B     S    57_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     T    58_B     T    58_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     A    59_B     A    59_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     T    60_B     T    60_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     I    61_B     I    61_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     S    62_B     S    62_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     G    63_B     G    63_B     78   81  100     40   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     L    64_B     L    64_B     78   81  100     60   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     K    65_B     K    65_B     78   81  100     60   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     P    66_B     P    66_B     78   81  100     54   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     G    67_B     G    67_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     V    68_B     V    68_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     D    69_B     D    69_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     Y    70_B     Y    70_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     T    71_B     T    71_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     I    72_B     I    72_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     T    73_B     T    73_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     V    74_B     V    74_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     Y    75_B     Y    75_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     A    76_B     A    76_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     E    77_B     E    77_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     H    78_B     H    78_B     78   81  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     P    79_B     P    79_B     78   81  100     22   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     Y    80_B     Y    80_B     78   81  100      3    4    8   85   89   90   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     Y    81_B     Y    81_B     78   81  100      6   11   60   81   88   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     D    82_B     D    82_B      5   81  100      3    6    8   21   32   75   89   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     P    83_B     P    83_B      5   81  100      3    4    5    8    8    9    9   12   15   29   45   56   82   95   96   97   98   99   99   99 
LCS_GDT     S    84_B     S    84_B      5    9  100      3    4    5    8    9   10   11   12   15   20   26   41   54   61   76   79   97   98   99   99 
LCS_GDT     S    85_B     S    85_B      5    9  100      3    4    5    8    9   10   17   20   32   45   54   73   93   95   96   97   98   99   99   99 
LCS_GDT     S    86_B     S    86_B      5   10  100      3    4    5    8   13   23   31   44   60   76   90   92   94   95   96   97   98   99   99   99 
LCS_GDT     Y    87_B     Y    87_B      5   15  100      3    4    9   22   50   81   89   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     Y    88_B     Y    88_B     12   15  100      3    8   27   78   88   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     F    89_B     F    89_B     13   15  100      3   52   84   86   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     S    90_B     S    90_B     13   15  100      7   76   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     S    91_B     S    91_B     13   15  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     K    92_B     K    92_B     13   15  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     P    93_B     P    93_B     13   15  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     I    94_B     I    94_B     13   15  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     S    95_B     S    95_B     13   15  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     I    96_B     I    96_B     13   15  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     N    97_B     N    97_B     13   15  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     Y    98_B     Y    98_B     13   15  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     R    99_B     R    99_B     13   15  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     T   100_B     T   100_B     13   15  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_GDT     P   101_B     P   101_B     13   15  100     61   80   84   87   89   91   91   92   93   94   94   95   95   96   96   97   98   99   99   99 
LCS_AVERAGE  LCS_A:  73.18  (  60.14   65.05   94.34 )

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     61     80     84     87     89     91     91     92     93     94     94     95     95     96     96     97     98     99     99     99 
GDT PERCENT_AT  57.55  75.47  79.25  82.08  83.96  85.85  85.85  86.79  87.74  88.68  88.68  89.62  89.62  90.57  90.57  91.51  92.45  93.40  93.40  93.40
GDT RMS_LOCAL    0.29   0.46   0.53   0.70   0.75   0.95   0.91   1.00   1.16   1.43   1.43   1.55   1.55   1.71   1.71   2.49   2.56   2.66   2.66   2.66
GDT RMS_ALL_AT   3.28   3.32   3.33   3.34   3.33   3.25   3.31   3.28   3.28   3.16   3.16   3.16   3.16   3.19   3.19   3.05   3.04   3.05   3.05   3.05

# Checking swapping
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  Y    30_B      Y    30_B
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  F    50_B      F    50_B
#   possible swapping detected:  Y    70_B      Y    70_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    87_B      Y    87_B
#   possible swapping detected:  Y    88_B      Y    88_B
#   possible swapping detected:  Y    98_B      Y    98_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     2_B      G     2_B     6.989     0    0.553   0.553     7.892   16.310   16.310
LGA    V     3_B      V     3_B     5.920     0    0.633   1.189     9.570   29.405   19.796
LGA    S     4_B      S     4_B     1.126     0    0.649   0.816     5.184   79.286   65.556
LGA    D     5_B      D     5_B     1.830     0    0.152   0.176     2.793   70.833   65.893
LGA    V     6_B      V     6_B     1.014     0    0.018   1.039     2.685   85.952   78.367
LGA    P     7_B      P     7_B     0.723     0    0.079   0.174     1.253   90.476   89.252
LGA    R     8_B      R     8_B     0.113     0    0.024   1.228     7.003  100.000   72.251
LGA    D     9_B      D     9_B     0.501     0    0.017   0.816     3.171   95.238   80.417
LGA    L    10_B      L    10_B     0.340     0    0.020   0.169     0.884  100.000   98.810
LGA    E    11_B      E    11_B     0.405     0    0.016   0.222     1.163  100.000   93.704
LGA    V    12_B      V    12_B     0.374     0    0.035   0.086     0.442  100.000  100.000
LGA    V    13_B      V    13_B     0.439     0    0.123   1.137     3.053  100.000   87.619
LGA    A    14_B      A    14_B     0.463     0    0.025   0.049     0.782   95.238   94.286
LGA    A    15_B      A    15_B     0.151     0    0.082   0.096     0.483  100.000  100.000
LGA    T    16_B      T    16_B     0.161     0    0.025   0.238     1.053  100.000   95.986
LGA    P    17_B      P    17_B     0.436     0    0.157   0.191     0.995   97.619   94.558
LGA    T    18_B      T    18_B     0.490     0    0.329   1.145     3.730   97.619   85.306
LGA    S    19_B      S    19_B     0.458     0    0.024   0.674     1.507  100.000   93.889
LGA    L    20_B      L    20_B     0.408     0    0.045   0.110     0.671   97.619   97.619
LGA    L    21_B      L    21_B     0.661     0    0.023   0.962     3.816   90.476   80.179
LGA    I    22_B      I    22_B     0.708     0    0.111   1.318     3.896   88.214   77.024
LGA    S    23_B      S    23_B     0.382     0    0.023   0.604     2.180  100.000   94.127
LGA    W    24_B      W    24_B     0.130     0    0.072   0.134     0.891  100.000   97.279
LGA    D    25_B      D    25_B     0.652     0    0.068   0.776     2.625   90.476   80.893
LGA    A    26_B      A    26_B     0.902     0    0.041   0.049     1.370   85.952   85.048
LGA    P    27_B      P    27_B     1.268     0    0.025   0.117     1.549   77.143   80.272
LGA    P    28_B      P    28_B     2.086     0    0.711   0.651     4.594   58.452   62.313
LGA    Y    29_B      Y    29_B     1.098     0    0.086   1.356     9.242   85.952   51.548
LGA    Y    30_B      Y    30_B     0.664     0    0.018   0.257     1.460   92.857   90.595
LGA    V    31_B      V    31_B     0.240     0    0.047   0.065     0.491  100.000  100.000
LGA    R    32_B      R    32_B     0.281     0    0.039   1.414     6.568  100.000   71.082
LGA    Y    33_B      Y    33_B     0.452     0    0.051   1.347     7.152  100.000   67.976
LGA    Y    34_B      Y    34_B     0.291     0    0.057   0.153     0.570   97.619   98.413
LGA    R    35_B      R    35_B     0.183     0    0.014   1.039     3.632  100.000   90.563
LGA    I    36_B      I    36_B     0.395     0    0.035   0.098     0.762  100.000   97.619
LGA    T    37_B      T    37_B     0.361     0    0.026   0.158     0.755  100.000   97.279
LGA    Y    38_B      Y    38_B     0.525     0    0.072   0.069     0.525   97.619   98.413
LGA    G    39_B      G    39_B     0.238     0    0.035   0.035     0.311  100.000  100.000
LGA    E    40_B      E    40_B     0.156     0    0.084   0.559     1.990  100.000   91.799
LGA    T    41_B      T    41_B     0.064     0    0.092   0.155     0.684   97.619   98.639
LGA    G    42_B      G    42_B     0.438     0    0.205   0.205     1.925   90.833   90.833
LGA    G    43_B      G    43_B     0.939     0    0.200   0.200     1.365   88.333   88.333
LGA    N    44_B      N    44_B     2.452     3    0.063   0.059     3.070   59.167   36.726
LGA    S    45_B      S    45_B     2.301     0    0.025   0.053     2.449   70.952   68.889
LGA    P    46_B      P    46_B     2.317     0    0.060   0.076     3.549   70.952   61.020
LGA    V    47_B      V    47_B     0.789     0    0.060   1.174     2.595   88.214   79.456
LGA    Q    48_B      Q    48_B     0.323     0    0.017   1.090     3.508  100.000   85.661
LGA    E    49_B      E    49_B     0.531     0    0.090   0.498     1.384   97.619   89.630
LGA    F    50_B      F    50_B     0.276     0    0.020   0.081     0.513  100.000   99.134
LGA    T    51_B      T    51_B     0.178     0    0.034   0.124     0.793  100.000   98.639
LGA    V    52_B      V    52_B     0.192     0    0.039   1.312     2.804  100.000   87.755
LGA    P    53_B      P    53_B     0.223     0    0.044   0.065     0.495  100.000  100.000
LGA    G    54_B      G    54_B     0.144     0    0.015   0.015     0.383  100.000  100.000
LGA    S    55_B      S    55_B     0.621     0    0.024   0.063     0.774   92.857   92.063
LGA    K    56_B      K    56_B     0.470     0    0.036   0.647     2.834   97.619   88.148
LGA    S    57_B      S    57_B     0.415     0    0.084   0.124     0.637  100.000   96.825
LGA    T    58_B      T    58_B     0.254     0    0.079   1.095     2.861   97.619   87.483
LGA    A    59_B      A    59_B     0.374     0    0.018   0.034     0.614   97.619   98.095
LGA    T    60_B      T    60_B     0.490     0    0.037   0.045     0.635  100.000   97.279
LGA    I    61_B      I    61_B     0.319     0    0.035   0.136     0.653  100.000   98.810
LGA    S    62_B      S    62_B     0.617     0    0.021   0.697     2.529   90.476   84.921
LGA    G    63_B      G    63_B     0.967     0    0.037   0.037     1.082   88.214   88.214
LGA    L    64_B      L    64_B     0.607     0    0.080   0.132     0.943   90.476   94.048
LGA    K    65_B      K    65_B     0.489     2    0.017   0.051     0.744   95.238   73.545
LGA    P    66_B      P    66_B     0.653     0    0.046   0.312     0.895   95.238   93.197
LGA    G    67_B      G    67_B     0.474     0    0.155   0.155     0.755   95.238   95.238
LGA    V    68_B      V    68_B     0.173     0    0.036   0.053     0.298  100.000  100.000
LGA    D    69_B      D    69_B     0.062     0    0.034   0.284     0.972  100.000   97.619
LGA    Y    70_B      Y    70_B     0.159     0    0.027   0.071     0.508  100.000   99.206
LGA    T    71_B      T    71_B     0.231     0    0.040   0.086     0.293  100.000  100.000
LGA    I    72_B      I    72_B     0.428     0    0.054   0.357     1.512  100.000   94.226
LGA    T    73_B      T    73_B     0.441     0    0.052   0.101     0.619   97.619   97.279
LGA    V    74_B      V    74_B     0.301     0    0.023   0.026     0.410  100.000  100.000
LGA    Y    75_B      Y    75_B     0.124     0    0.037   0.051     0.539  100.000   99.206
LGA    A    76_B      A    76_B     0.266     0    0.098   0.105     0.744   97.619   98.095
LGA    E    77_B      E    77_B     0.278     0    0.063   0.724     3.862  100.000   82.328
LGA    H    78_B      H    78_B     0.579     0    0.183   0.926     3.745   84.167   71.524
LGA    P    79_B      P    79_B     1.431     0    0.069   0.278     2.924   81.548   76.803
LGA    Y    80_B      Y    80_B     3.164     0    0.621   0.481     9.234   59.167   29.087
LGA    Y    81_B      Y    81_B     3.678     0    0.496   0.854    12.510   38.333   17.778
LGA    D    82_B      D    82_B     7.292     0    0.070   0.890    11.385    8.333    4.524
LGA    P    83_B      P    83_B    12.739     0    0.038   0.319    15.938    0.000    0.000
LGA    S    84_B      S    84_B    16.867     0    0.476   0.716    18.342    0.000    0.000
LGA    S    85_B      S    85_B    14.536     0    0.149   0.301    15.405    0.000    0.000
LGA    S    86_B      S    86_B    11.314     0    0.199   0.206    12.694    0.833    0.556
LGA    Y    87_B      Y    87_B     7.625     0    0.071   0.371    12.029   10.714    4.206
LGA    Y    88_B      Y    88_B     4.107     0    0.080   1.256     5.358   39.167   38.611
LGA    F    89_B      F    89_B     1.904     0    0.082   1.283     5.887   75.119   56.147
LGA    S    90_B      S    90_B     1.422     0    0.084   0.723     2.471   83.810   78.810
LGA    S    91_B      S    91_B     0.386     0    0.070   0.159     0.653   97.619   98.413
LGA    K    92_B      K    92_B     0.278     0    0.050   0.641     3.678  100.000   81.376
LGA    P    93_B      P    93_B     0.396     0    0.023   0.092     0.842  100.000   95.918
LGA    I    94_B      I    94_B     0.349     0    0.041   0.082     0.440  100.000  100.000
LGA    S    95_B      S    95_B     0.318     0    0.038   0.650     1.996  100.000   95.476
LGA    I    96_B      I    96_B     0.334     0    0.049   0.119     0.878  100.000   96.429
LGA    N    97_B      N    97_B     0.256     0    0.018   0.255     0.783  100.000   97.619
LGA    Y    98_B      Y    98_B     0.198     0    0.035   0.153     0.609  100.000   98.413
LGA    R    99_B      R    99_B     0.251     3    0.025   0.448     1.588  100.000   69.394
LGA    T   100_B      T   100_B     0.273     0    0.011   0.140     0.661  100.000   98.639
LGA    P   101_B      P   101_B     0.314     0    0.454   0.480     1.274   92.976   93.265

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      100     400    400  100.00     775    775  100.00               106
SUMMARY(RMSD_GDC):     3.035          2.985                  3.295           81.053   75.336

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101  106    4.0     92    1.00    83.962    80.086     8.352

LGA_LOCAL      RMSD:   1.002  Number of atoms:   92  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.276  Number of assigned atoms:  100 
Std_ASGN_ATOMS RMSD:   3.035  Standard rmsd on all 100 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.201497 * X  +   0.465361 * Y  +  -0.861880 * Z  +  -0.259186
  Y_new =   0.299110 * X  +   0.808662 * Y  +   0.506555 * Z  +   1.104923
  Z_new =   0.932701 * X  +  -0.359867 * Y  +   0.023749 * Z  +  44.846306 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.977972 -1.201832 -1.504899   [DEG:   56.0336  -68.8599  -86.2244 ]
ZXZ: -2.102147  1.547045  1.939030   [DEG: -120.4441   88.6392  111.0982 ]
 
# END of job
