Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3did_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG HIS 47.A ND1 no hydrogen 3.906 N/A MET 4.A N TYR 96.A O no hydrogen 3.109 N/A VAL 5.A N LEU 46.A O no hydrogen 3.496 N/A LYS 6.A N ILE 98.A O no hydrogen 2.978 N/A LYS 6.A NZ SER 43.A O no hydrogen 3.012 N/A LYS 6.A NZ GLU 45.A OE2 no hydrogen 2.580 N/A VAL 7.A N GLY 44.A O no hydrogen 2.927 N/A LEU 8.A N ALA 100.A O no hydrogen 2.903 N/A ASP 9.A N SER 14.A O.A no hydrogen 2.870 N/A ASP 9.A N SER 14.A O.B no hydrogen 2.837 N/A ALA 10.A N LEU 102.A O no hydrogen 3.002 N/A VAL 11.A N ASP 9.A OD1 no hydrogen 3.024 N/A ARG 12.A N ASP 9.A OD1 no hydrogen 3.126 N/A ARG 12.A NH1 ASP 9.A OD2 no hydrogen 3.025 N/A GLY 13.A N ASP 9.A O no hydrogen 2.999 N/A SER 14.A N.A ASP 9.A O no hydrogen 3.362 N/A SER 14.A N.B ASP 9.A O no hydrogen 3.312 N/A SER 14.A OG.B PRO 15.A O no hydrogen 3.174 N/A ALA 16.A N VAL 7.A O no hydrogen 3.150 N/A ASN 18.A N.A THR 40.A O no hydrogen 3.048 N/A ASN 18.A N.B THR 40.A O no hydrogen 2.985 N/A VAL 19.A N THR 40.A OG1 no hydrogen 3.068 N/A VAL 21.A N GLY 38.A O no hydrogen 2.960 N/A HIS 22.A N.A GLU 63.A O no hydrogen 3.007 N/A HIS 22.A N.B GLU 63.A O no hydrogen 3.007 N/A VAL 23.A N ALA 36.A O no hydrogen 3.063 N/A PHE 24.A N LYS 61.A O no hydrogen 2.899 N/A ARG 25.A N GLU 33.A O no hydrogen 2.968 N/A ARG 25.A NH2 GLU 33.A OE1 no hydrogen 3.069 N/A LYS 26.A N ILE 59.A O no hydrogen 2.864 N/A ALA 27.A N THR 31.A O no hydrogen 3.085 N/A ASP 30.A N ALA 27.A O no hydrogen 3.342 N/A THR 31.A N ASP 29.A OD1 no hydrogen 3.028 N/A THR 31.A OG1 ASP 29.A OD1 no hydrogen 2.342 N/A GLU 33.A N ARG 25.A O no hydrogen 3.048 N/A PHE 35.A N VAL 23.A O no hydrogen 3.008 N/A GLY 38.A N VAL 21.A O no hydrogen 3.099 N/A THR 40.A N VAL 19.A O no hydrogen 2.984 N/A THR 40.A OG1 ALA 16.A O no hydrogen 2.754 N/A SER 41.A N GLU 45.A O no hydrogen 2.843 N/A SER 41.A OG GLU 45.A O no hydrogen 3.161 N/A SER 43.A N SER 41.A OG no hydrogen 3.260 N/A SER 43.A OG SER 41.A OG no hydrogen 3.099 N/A GLY 44.A N SER 41.A O no hydrogen 3.000 N/A LEU 46.A N VAL 5.A O no hydrogen 3.029 N/A HIS 47.A NE2 GLU 45.A OE1 no hydrogen 2.883 N/A THR 50.A OG1 THR 51.A O no hydrogen 3.549 N/A THR 51.A OG1 GLU 53.A OE1.B no hydrogen 3.157 N/A THR 51.A OG1 GLU 54.A OE2 no hydrogen 2.239 N/A GLU 54.A N THR 51.A O no hydrogen 2.925 N/A GLU 54.A N THR 51.A OG1 no hydrogen 3.092 N/A PHE 55.A N THR 51.A O no hydrogen 3.013 N/A TYR 60.A N PHE 86.A O no hydrogen 2.915 N/A TYR 60.A OH VAL 56.A O no hydrogen 2.756 N/A LYS 61.A N PHE 24.A O no hydrogen 3.035 N/A LYS 61.A NZ GLU 63.A OE2 no hydrogen 3.258 N/A VAL 62.A N VAL 84.A O.A no hydrogen 2.808 N/A VAL 62.A N VAL 84.A O.B no hydrogen 2.973 N/A GLU 63.A N HIS 22.A O.A no hydrogen 2.915 N/A GLU 63.A N HIS 22.A O.B no hydrogen 2.915 N/A ILE 64.A N ALA 82.A O no hydrogen 2.826 N/A ASP 65.A N ALA 20.A O no hydrogen 3.028 N/A THR 66.A N GLU 80.A O no hydrogen 3.103 N/A THR 66.A OG1 HIS 79.A O no hydrogen 3.121 N/A TYR 69.A N THR 66.A O no hydrogen 3.351 N/A TYR 69.A OH ASP 9.A OD2 no hydrogen 2.862 N/A LYS 71.A N SER 68.A O no hydrogen 3.120 N/A LEU 73.A N TRP 70.A O.A no hydrogen 2.927 N/A LEU 73.A N TRP 70.A O.B no hydrogen 3.159 N/A GLY 74.A N LYS 71.A O no hydrogen 3.010 N/A MET 78.A N PRO 104.A O no hydrogen 2.880 N/A HIS 81.A ND1 GLU 83.A OE1 no hydrogen 3.207 N/A ALA 82.A N ILE 64.A O no hydrogen 2.942 N/A GLU 83.A N TYR 107.A OH no hydrogen 3.448 N/A VAL 84.A N.A VAL 62.A O no hydrogen 2.925 N/A VAL 84.A N.B VAL 62.A O no hydrogen 2.966 N/A PHE 86.A N TYR 60.A O no hydrogen 3.015 N/A ALA 88.A N GLY 58.A O no hydrogen 2.878 N/A ASN 89.A N TYR 96.A OH no hydrogen 2.541 N/A ASN 89.A ND2 ARG 94.A O no hydrogen 3.360 N/A ARG 94.A NH1 PRO 93.A O no hydrogen 2.922 N/A ARG 95.A N THR 114.A O no hydrogen 2.964 N/A ARG 95.A NE CYS 1.A O no hydrogen 3.599 N/A TYR 96.A N PRO 2.A O no hydrogen 2.952 N/A THR 97.A N VAL 112.A O no hydrogen 3.142 N/A ILE 98.A N MET 4.A O no hydrogen 3.024 N/A ALA 99.A N THR 110.A O no hydrogen 3.030 N/A ALA 100.A N LYS 6.A O no hydrogen 2.925 N/A MET 101.A N.A SER 108.A O no hydrogen 2.892 N/A MET 101.A N.B SER 108.A O no hydrogen 2.926 N/A LEU 102.A N LEU 8.A O no hydrogen 3.021 N/A SER 103.A N SER 106.A O no hydrogen 2.965 N/A TYR 105.A OH SER 76.A O no hydrogen 3.030 N/A TYR 107.A OH GLU 83.A O no hydrogen 3.265 N/A SER 108.A N MET 101.A O.A no hydrogen 3.096 N/A SER 108.A N MET 101.A O.B no hydrogen 3.165 N/A THR 109.A OG1.B ALA 99.A O no hydrogen 2.863 N/A THR 110.A N ALA 99.A O no hydrogen 2.998 N/A VAL 112.A N THR 97.A O no hydrogen 2.945 N/A THR 114.A N ARG 95.A O no hydrogen 3.051 N/A ASN 115.A ND2 PRO 116.A O no hydrogen 3.365 N/A