- CARNAL -
			  AMBER  4.1

		      COORDINATE  ANALYSIS


input stdin 
> # HBOND analysis of ligand-receptor interaction
> FILES_IN
>   PARM   p1 stbtcap.top;
Reading parm file (stbtcap.top)
parm: opening stbtcap.top
stbtcap.top title:
                                                                                
>   STREAM s1 traj/md01.crd;
Using default parm (stbtcap.top) for STREAM s1
stream: opening traj/md01.crd
> FILES_OUT
>   HBOND  h1 md01_hb1 TABLE LIST;
>   HBOND  h2 md01_hb2 TABLE LIST;
> DECLARE
>   GROUP  g1 (RES 5-17,25,27-44,59-81,89-101,104,105,107-119,
Using default stream
> 	     142,163-170,172,174-181,195-201,212-214,
> 	     216,228,230,333-336,338-350,438,448-450,
> 	     468-470,472); 
** Group g1: 2086 atoms
>   GROUP  g2 (RES 479);
Using default stream
** Group g2: 31 atoms
> OUTPUT
>   HBOND  h2 DONOR g2 ACCEPTOR g1 STATS;
Using default stream
>   HBOND  h1 DONOR g1 ACCEPTOR g2 STATS;
Using default stream
> END      
(EOF reached on traj/md01.crd)
STREAM s1: no more files/crds (iteration 150)
SUMMARY
--Hbond h1 stats:
    # 31 (ASN  9 ND2 )_(ASN  9 HD21)..(BTN  479 O3  ) % occupied: 82.666667
	distance    avg       3.126  dev    0.291  max    3.984  min    2.687  N 124
	angle(deg)  avg      32.786  dev   12.642  max   57.110  min    8.478  N 124
    # 63 (SER  13 OG  )_(SER  13 HG  )..(BTN  479 O3  ) % occupied: 100.000000
	distance    avg       2.592  dev    0.113  max    2.971  min    2.410  N 150
	angle(deg)  avg       7.999  dev    4.300  max   21.185  min    0.890  N 150
    # 107 (TYR  29 OH  )_(TYR  29 HH  )..(BTN  479 O3  ) % occupied: 100.000000
	distance    avg       2.601  dev    0.115  max    2.942  min    2.373  N 150
	angle(deg)  avg       7.521  dev    3.786  max   20.598  min    1.363  N 150
    # 141 (ASN  35 ND2 )_(ASN  35 HD22)..(BTN  479 O1  ) % occupied: 71.333333
	distance    avg       3.466  dev    0.366  max    3.956  min    2.657  N 107
	angle(deg)  avg      25.760  dev   12.072  max   56.335  min    1.445  N 107
    # 142 (ASN  35 ND2 )_(ASN  35 HD22)..(BTN  479 O2  ) % occupied: 81.333333
	distance    avg       2.876  dev    0.224  max    3.722  min    2.586  N 122
	angle(deg)  avg      19.001  dev   14.521  max   54.894  min    1.234  N 122
    # 145 (ASN  35 N   )_(ASN  35 H   )..(BTN  479 O1  ) % occupied: 0.666667
	distance    single    3.918
	angle(deg)  single   27.528
    # 146 (ASN  35 N   )_(ASN  35 H   )..(BTN  479 O2  ) % occupied: 100.000000
	distance    avg       2.861  dev    0.160  max    3.376  min    2.579  N 150
	angle(deg)  avg       9.794  dev    5.307  max   32.137  min    0.470  N 150
    # 150 (ALA  36 N   )_(ALA  36 H   )..(BTN  479 O2  ) % occupied: 0.666667
	distance    single    3.902
	angle(deg)  single   42.762
    # 353 (SER  74 OG  )_(SER  74 HG  )..(BTN  479 O1  ) % occupied: 100.000000
	distance    avg       2.525  dev    0.108  max    2.756  min    2.261  N 150
	angle(deg)  avg       6.764  dev    4.483  max   23.111  min    0.411  N 150
    # 368 (THR  76 OG1 )_(THR  76 HG1 )..(BTN  479 S   ) % occupied: 91.333333
	distance    avg       3.260  dev    0.204  max    3.912  min    2.814  N 137
	angle(deg)  avg      16.911  dev   10.137  max   53.549  min    0.264  N 137
--Hbond h2 stats:
    # 24 (BTN  479 N2  )_(BTN  479 HN2 )..(TYR  29 OH  ) % occupied: 2.666667
	distance    avg       3.508  dev    0.090  max    3.648  min    3.418  N 4
	angle(deg)  avg      55.430  dev    0.809  max   56.389  min   54.225  N 4
    # 117 (BTN  479 N2  )_(BTN  479 HN2 )..(ASP  114 OD1 ) % occupied: 80.000000
	distance    avg       3.617  dev    0.212  max    3.992  min    2.989  N 120
	angle(deg)  avg      37.452  dev    6.689  max   53.229  min   18.686  N 120
    # 118 (BTN  479 N2  )_(BTN  479 HN2 )..(ASP  114 OD2 ) % occupied: 100.000000
	distance    avg       2.809  dev    0.108  max    3.136  min    2.584  N 150
	angle(deg)  avg       9.673  dev    5.872  max   26.267  min    0.626  N 150
    # 228 (BTN  479 N1  )_(BTN  479 HN1 )..(SER  13 OG  ) % occupied: 9.333333
	distance    avg       3.694  dev    0.142  max    3.925  min    3.362  N 14
	angle(deg)  avg      53.831  dev    2.063  max   56.890  min   50.917  N 14
    # 244 (BTN  479 N1  )_(BTN  479 HN1 )..(SER  31 OG  ) % occupied: 100.000000
	distance    avg       2.971  dev    0.193  max    3.637  min    2.657  N 150
	angle(deg)  avg       9.713  dev    5.807  max   27.236  min    0.334  N 150
    # 247 (BTN  479 N1  )_(BTN  479 HN1 )..(VAL  33 O   ) % occupied: 1.333333
	distance    avg       3.917  dev    0.022  max    3.939  min    3.894  N 2
	angle(deg)  avg      34.393  dev    4.699  max   39.092  min   29.694  N 2