Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4isn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLY 137.A O no hydrogen 3.371 N/A VAL 1.A N HIS 138.A O no hydrogen 2.933 N/A VAL 1.A N ASP 190.A OD2 no hydrogen 2.701 N/A VAL 2.A N ASP 185.A O no hydrogen 2.860 N/A THR 5.A N LYS 151.A O no hydrogen 2.925 N/A ALA 7.A N LEU 149.A O no hydrogen 2.788 N/A ASP 8.A N GLU 11.A OE1 no hydrogen 3.169 N/A GLU 11.A N ASP 8.A O no hydrogen 2.979 N/A TRP 14.A NE1 SER 196.A OG no hydrogen 3.017 N/A GLN 15.A N TRP 12.A O no hydrogen 3.036 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.135 N/A VAL 16.A N ALA 29.A O no hydrogen 2.793 N/A SER 17.A N PHE 61.A O no hydrogen 3.136 N/A SER 17.A OG HIS 19.A NE2 no hydrogen 3.112 N/A SER 17.A OG HIS 25.A ND1 no hydrogen 2.671 N/A LEU 18.A N CYS 27.A O no hydrogen 2.832 N/A HIS 19.A N THR 59.A O no hydrogen 2.816 N/A HIS 19.A NE2 GLN 67.A OE1 no hydrogen 3.006 N/A ALA 20.A N GLY 24.A O no hydrogen 3.081 N/A LEU 21.A N GLN 57.A O no hydrogen 2.934 N/A GLN 23.A N ALA 20.A O no hydrogen 2.895 N/A GLN 23.A NE2 TYR 52G.A OH no hydrogen 2.597 N/A HIS 25.A ND1 SER 17.A OG no hydrogen 2.671 N/A HIS 25.A NE2 GLY 189.A O no hydrogen 2.904 N/A ILE 26.A N LEU 18.A O no hydrogen 2.819 N/A CYS 27.A N LEU 18.A O no hydrogen 3.444 N/A CYS 27.A SG ILE 26.A O no hydrogen 3.226 N/A GLY 28.A N SER 191.A O no hydrogen 2.646 N/A ALA 29.A N VAL 16.A O no hydrogen 3.082 N/A SER 30.A N VAL 38.A O no hydrogen 2.908 N/A SER 30.A OG GLN 206.A OE1 no hydrogen 2.671 N/A LEU 31.A N TRP 14.A O no hydrogen 2.822 N/A ILE 32.A N TRP 36.A O no hydrogen 3.014 N/A ASN 35.A N SER 33.A OG no hydrogen 3.242 N/A TRP 36.A N SER 33.A OG no hydrogen 3.184 N/A LEU 37.A N LEU 101.A O no hydrogen 2.868 N/A VAL 38.A N SER 30.A O no hydrogen 2.910 N/A SER 39.A N ALA 99.A O no hydrogen 2.912 N/A SER 39.A OG GLY 28.A O no hydrogen 2.743 N/A SER 39.A OG TYR 44.A OH no hydrogen 2.751 N/A HIS 42.A N ASP 97.A OD1 no hydrogen 2.916 N/A HIS 42.A ND1 ASP 97.A OD2 no hydrogen 2.641 N/A CYS 43.A N ALA 40.A O no hydrogen 3.163 N/A TYR 44.A N ALA 41.A O no hydrogen 3.006 N/A TYR 44.A OH SER 39.A OG no hydrogen 2.751 N/A THR 56.A N ASP 54I.A OD1 no hydrogen 2.930 N/A THR 56.A OG1 ASP 54I.A OD1 no hydrogen 2.769 N/A THR 56.A OG1 ASP 54I.A OD2 no hydrogen 3.073 N/A GLN 57.A N ASP 54I.A O no hydrogen 2.966 N/A GLN 57.A NE2 THR 56.A OG1 no hydrogen 3.359 N/A TRP 58.A N PRO 55.A O no hydrogen 3.457 N/A TRP 58.A NE1 TYR 52G.A O no hydrogen 2.799 N/A THR 59.A N HIS 19.A O no hydrogen 2.844 N/A ALA 60.A N ARG 78.A O no hydrogen 2.756 N/A PHE 61.A N SER 17.A O no hydrogen 2.854 N/A LEU 62.A N GLN 76.A O no hydrogen 2.788 N/A GLN 67.A N LEU 147.A O no hydrogen 2.853 N/A GLN 67.A NE2 SER 17.A OG no hydrogen 3.108 N/A SER 68.A N ASP 66.A OD2 no hydrogen 2.782 N/A SER 68.A OG ASP 66.A OD2 no hydrogen 2.632 N/A GLN 69.A N ASP 66.A O no hydrogen 2.798 N/A VAL 75.A N ALA 72A.A O no hydrogen 3.244 N/A GLN 76.A N LEU 62.A O no hydrogen 2.846 N/A GLN 76.A NE2 GLU 108.A O no hydrogen 2.642 N/A ARG 78.A N ALA 60.A O no hydrogen 2.861 N/A ARG 78.A NE LYS 105.A O no hydrogen 3.141 N/A ARG 78.A NE PRO 106.A O no hydrogen 3.065 N/A ARG 78.A NH1 GLU 77.A O no hydrogen 2.814 N/A ARG 78.A NH2 PRO 106.A O no hydrogen 3.027 N/A ARG 79.A NH2 GLU 104.A OE1 no hydrogen 3.277 N/A LYS 81.A N GLU 102.A O no hydrogen 2.685 N/A ARG 82.A NE GLU 102.A OE2 no hydrogen 3.364 N/A ARG 82.A NH2 GLU 102.A OE2 no hydrogen 3.215 N/A ILE 84.A N LEU 100.A O no hydrogen 2.829 N/A HIS 86.A N ILE 98.A O no hydrogen 3.198 N/A PHE 88.A N HIS 86.A ND1 no hydrogen 3.069 N/A PHE 89.A N HIS 86.A O no hydrogen 3.016 N/A ASN 90.A N ASP 95.A O no hydrogen 3.026 N/A PHE 92.A N ASN 90.A OD1 no hydrogen 2.911 N/A THR 93.A N ASN 90.A OD1 no hydrogen 2.779 N/A PHE 94.A N ASN 90.A O no hydrogen 2.718 N/A ASP 95.A N THR 93.A OG1 no hydrogen 3.286 N/A TYR 96.A N ASP 95.A OD2 no hydrogen 3.217 N/A ILE 98.A N TYR 96.A O no hydrogen 2.995 N/A ALA 99.A N SER 39.A O no hydrogen 2.708 N/A LEU 100.A N ILE 84.A O no hydrogen 2.885 N/A LEU 101.A N LEU 37.A O no hydrogen 2.885 N/A GLU 102.A N ARG 82.A O no hydrogen 2.934 N/A LEU 103.A N ASN 35.A O no hydrogen 2.769 N/A GLU 104.A N ARG 79.A O no hydrogen 2.861 N/A ALA 107.A N PRO 34.A O no hydrogen 2.701 N/A GLU 108.A N GLN 76.A OE1 no hydrogen 2.815 N/A SER 110.A N VAL 113.A O no hydrogen 2.865 N/A MET 112.A N SER 110.A OG no hydrogen 3.175 N/A VAL 113.A N SER 110.A O no hydrogen 3.392 N/A ARG 114.A N PRO 13.A O no hydrogen 3.119 N/A ILE 116.A N LEU 31.A O no hydrogen 2.915 N/A CYS 117.A N ILE 204.A O no hydrogen 3.199 N/A HIS 123.A N ASP 120.A O no hydrogen 3.010 N/A GLY 128.A N VAL 156.A O no hydrogen 2.664 N/A LYS 129.A N PRO 126.A O no hydrogen 3.107 N/A LYS 129.A NZ SER 197.A OG no hydrogen 2.755 N/A LYS 129.A NZ VAL 198.A O no hydrogen 2.738 N/A ILE 131.A N ILE 154.A O no hydrogen 2.791 N/A TRP 132.A N SER 196.A O no hydrogen 2.788 N/A VAL 133.A N GLY 152.A O no hydrogen 2.962 N/A THR 134.A OG1 GLN 15.A OE1 no hydrogen 2.569 N/A GLY 135.A N GLN 150.A O no hydrogen 3.064 N/A TRP 136.A NE1 HIS 65.A O no hydrogen 3.177 N/A GLY 137.A N ASP 190.A OD1 no hydrogen 2.846 N/A HIS 138.A N GLN 188.A O no hydrogen 2.803 N/A THR 139.A N THR 144.A O no hydrogen 3.256 N/A ALA 146.A N TRP 136.A O no hydrogen 3.015 N/A LEU 149.A N HIS 65.A O no hydrogen 3.064 N/A GLN 150.A N GLY 135.A O no hydrogen 2.994 N/A GLN 150.A NE2 ASP 6.A OD1 no hydrogen 2.915 N/A GLN 150.A NE2 ILE 148.A O no hydrogen 3.167 N/A LYS 151.A N THR 5.A O no hydrogen 2.981 N/A LYS 151.A NZ GLU 11.A OE1 no hydrogen 2.958 N/A LYS 151.A NZ GLU 11.A OE2 no hydrogen 2.939 N/A GLY 152.A N VAL 133.A O no hydrogen 2.893 N/A ILE 154.A N ILE 131.A O no hydrogen 2.871 N/A ARG 155.A N GLY 178.A O no hydrogen 3.150 N/A ARG 155.A NH1 GLY 128.A O no hydrogen 3.016 N/A VAL 156.A N LYS 129.A O no hydrogen 3.029 N/A ILE 157.A N CYS 176.A O no hydrogen 2.879 N/A GLN 159.A NE2 MET 174.A O no hydrogen 3.216 N/A CYS 162.A N GLN 158.A O no hydrogen 2.883 N/A GLU 163.A N GLN 159.A O no hydrogen 2.750 N/A ASN 164.A N THR 160.A O no hydrogen 3.055 N/A LEU 165.A N THR 161.A O no hydrogen 3.024 N/A LEU 165.A N CYS 162.A O no hydrogen 3.247 N/A LEU 166.A N CYS 162.A O no hydrogen 3.227 N/A LEU 166.A N GLU 163.A O no hydrogen 3.257 N/A GLN 169.A N LEU 166.A O no hydrogen 3.305 N/A GLN 169.A NE2 PRO 167.A O no hydrogen 3.100 N/A THR 171.A OG1 ASP 95.A OD2 no hydrogen 2.641 N/A ARG 173.A N THR 171.A OG1 no hydrogen 3.234 N/A ARG 173.A NE ASP 95.A OD2 no hydrogen 3.001 N/A ARG 173.A NH2 ASP 95.A OD1 no hydrogen 2.897 N/A MET 174.A N THR 171.A O no hydrogen 2.854 N/A MET 175.A N TYR 225.A O no hydrogen 2.740 N/A VAL 177.A N GLY 223.A O no hydrogen 3.044 N/A GLY 178.A N ARG 155.A O no hydrogen 2.942 N/A GLY 183.A N ALA 217.A O no hydrogen 2.892 N/A ASP 185.A N VAL 2.A O no hydrogen 3.264 N/A SER 186.A OG TYR 225.A OH no hydrogen 2.821 N/A CYS 187.A N ASP 190.A OD2 no hydrogen 2.930 N/A CYS 187.A SG GLN 188.A OE1 no hydrogen 3.767 N/A ASP 190.A N CYS 187.A O no hydrogen 2.873 N/A SER 191.A OG HIS 42.A NE2 no hydrogen 2.720 N/A SER 191.A OG SER 211.A O no hydrogen 3.453 N/A GLY 192.A N VAL 210.A O no hydrogen 2.895 N/A GLY 193.A N ASP 190.A O no hydrogen 3.152 N/A LEU 195.A N GLY 208.A O no hydrogen 2.987 N/A SER 196.A N TRP 132.A O no hydrogen 2.732 N/A SER 197.A N PHE 205.A O no hydrogen 2.838 N/A SER 197.A OG GLU 199.A OE2 no hydrogen 2.625 N/A GLU 199.A N ARG 203.A O no hydrogen 2.899 N/A GLY 202.A N GLU 199.A O no hydrogen 2.958 N/A ARG 203.A N ASP 201A.A OD2 no hydrogen 3.161 N/A ARG 203.A NE ASP 201A.A OD1 no hydrogen 3.385 N/A PHE 205.A N SER 197.A O no hydrogen 2.901 N/A GLN 206.A N CYS 117.A O no hydrogen 2.842 N/A GLN 206.A NE2 GLY 208.A O no hydrogen 2.885 N/A ALA 207.A N LEU 195.A O no hydrogen 2.966 N/A VAL 209.A N THR 226.A O no hydrogen 2.910 N/A VAL 210.A N GLY 193.A O no hydrogen 2.933 N/A SER 211.A N VAL 224.A O no hydrogen 3.299 N/A SER 211.A OG ASP 97.A OD2 no hydrogen 2.606 N/A TRP 212.A N VAL 224.A O no hydrogen 3.140 N/A CYS 216.A SG SER 186.A O no hydrogen 3.706 N/A CYS 216.A SG GLN 188.A OE1 no hydrogen 3.351 N/A ALA 217.A N ASP 185.A OD2 no hydrogen 2.917 N/A ASN 220.A N LEU 180.A O no hydrogen 2.867 N/A LYS 221.A N GLN 218A.A O no hydrogen 3.230 N/A VAL 224.A N TRP 212.A O no hydrogen 2.917 N/A TYR 225.A N MET 175.A O no hydrogen 2.886 N/A TYR 225.A OH SER 186.A OG no hydrogen 2.821 N/A THR 226.A N VAL 209.A O no hydrogen 2.928 N/A THR 226.A OG1 ASP 97.A O no hydrogen 2.660 N/A ARG 227.A N ARG 173.A O no hydrogen 2.948 N/A ARG 227.A NE MET 174.A O no hydrogen 3.144 N/A PHE 231.A N LEU 228.A O no hydrogen 2.835 N/A ARG 232.A N PRO 229.A O no hydrogen 3.087 N/A ARG 232.A NH1 ARG 232.A O no hydrogen 3.043 N/A ARG 232.A NH1 VAL 241.A OXT no hydrogen 2.883 N/A ARG 232.A NH2 VAL 241.A O no hydrogen 2.930 N/A ARG 232.A NH2 VAL 241.A OXT no hydrogen 3.296 N/A ILE 235.A N PHE 231.A O no hydrogen 2.825 N/A LYS 236.A N ARG 232.A O no hydrogen 3.012 N/A LYS 236.A NZ VAL 241.A O no hydrogen 3.302 N/A GLU 237.A N ASP 233.A O no hydrogen 2.778 N/A ASN 238.A N TRP 234.A O no hydrogen 3.154 N/A ASN 238.A ND2 TRP 234.A O no hydrogen 2.840 N/A THR 239.A N ILE 235.A O no hydrogen 3.005 N/A THR 239.A N LYS 236.A O no hydrogen 3.346 N/A THR 239.A OG1 ILE 235.A O no hydrogen 2.727 N/A GLY 240.A N LYS 236.A O no hydrogen 2.800 N/A VAL 241.A N THR 239.A OG1 no hydrogen 3.032 N/A ALA 72A.A N GLN 69.A O no hydrogen 3.257 N/A GLY 182A.A N PHE 179A.A O no hydrogen 2.994 N/A ASP 47B.A N PHE 50E.A O no hydrogen 3.097 N/A ARG 48C.A NH1 ASP 47B.A OD2 no hydrogen 3.248 N/A PHE 50E.A N ASP 47B.A O no hydrogen 3.039 N/A SER 53H.A N ASP 46A.A OD1 no hydrogen 3.046 N/A SER 53H.A OG ASP 46A.A OD1 no hydrogen 2.655 N/A ASP 54I.A N ARG 51F.A O no hydrogen 2.912 N/A