Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3h1i_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 10.A N ASP 125.A OD2 no hydrogen 2.930 N/A TRP 12.A NE1 ASP 125.A OD2 no hydrogen 2.591 N/A HIS 14.A NE2 GLU 124.A OE2 no hydrogen 2.793 N/A GLY 15.A N TRP 12.A O no hydrogen 3.081 N/A SER 19.A N GLY 16.A O no hydrogen 2.678 N/A HIS 23.A N LEU 21.A O no hydrogen 2.787 N/A HIS 23.A ND1 VAL 54.A O no hydrogen 2.726 N/A HIS 23.A NE2 ASP 199.A OD2 no hydrogen 3.082 N/A SER 24.A OG ASP 22.A OD1 no hydrogen 2.990 N/A SER 25.A N ASP 22.A O no hydrogen 2.505 N/A SER 25.A OG ASP 185.A OD1 no hydrogen 2.516 N/A VAL 26.A N ASP 22.A O no hydrogen 3.346 N/A ARG 27.A N HIS 23.A O no hydrogen 3.256 N/A ARG 27.A NH1 THR 55.A O no hydrogen 2.590 N/A ARG 27.A NH1 GLU 60.A OE2 no hydrogen 3.275 N/A ARG 28.A NE ASP 185.A OD1 no hydrogen 3.196 N/A ARG 28.A NE ASP 185.A OD2 no hydrogen 2.959 N/A GLY 29.A N SER 25.A O no hydrogen 2.675 N/A PHE 30.A N VAL 26.A O no hydrogen 2.474 N/A GLN 31.A NE2 GLU 170.A O no hydrogen 3.566 N/A VAL 32.A N ARG 28.A O no hydrogen 2.833 N/A TYR 33.A N GLY 29.A O no hydrogen 2.924 N/A TYR 33.A OH HIS 41.A O no hydrogen 2.625 N/A LYS 34.A N PHE 30.A O no hydrogen 2.684 N/A GLN 35.A N GLN 31.A O no hydrogen 2.870 N/A VAL 36.A N VAL 32.A O no hydrogen 3.103 N/A CYS 37.A N TYR 33.A O no hydrogen 3.220 N/A CYS 37.A SG VAL 32.A O no hydrogen 3.518 N/A CYS 37.A SG TYR 33.A O no hydrogen 4.008 N/A SER 38.A N TYR 33.A O no hydrogen 2.785 N/A SER 38.A OG LYS 34.A O no hydrogen 2.271 N/A CYS 40.A N CYS 37.A O no hydrogen 2.540 N/A CYS 40.A SG TYR 95.A OH no hydrogen 3.829 N/A HIS 41.A N CYS 37.A O no hydrogen 2.522 N/A HIS 41.A ND1 PRO 111.A O no hydrogen 2.924 N/A ASP 44.A N ASP 112.A OD2 no hydrogen 2.878 N/A VAL 46.A N MET 43.A O no hydrogen 3.103 N/A ARG 49.A N ILE 87.A O no hydrogen 2.943 N/A ASN 50.A N ALA 47.A O no hydrogen 2.383 N/A LEU 51.A N PHE 48.A O no hydrogen 2.969 N/A GLY 53.A N HIS 56.A O no hydrogen 2.799 N/A VAL 54.A N LEU 51.A O no hydrogen 2.693 N/A THR 55.A N LEU 51.A O no hydrogen 3.106 N/A THR 55.A OG1 HIS 56.A ND1 no hydrogen 2.478 N/A HIS 56.A ND1 THR 55.A OG1 no hydrogen 2.478 N/A THR 57.A N GLU 60.A OE2 no hydrogen 2.988 N/A GLU 60.A N THR 57.A OG1 no hydrogen 3.290 N/A ALA 61.A N THR 57.A O no hydrogen 3.030 N/A LYS 62.A N GLU 58.A O no hydrogen 3.105 N/A ALA 63.A N ALA 59.A O no hydrogen 2.978 N/A LEU 64.A N GLU 60.A O no hydrogen 2.723 N/A ALA 65.A N ALA 61.A O no hydrogen 2.694 N/A GLU 66.A N LYS 62.A O no hydrogen 2.890 N/A VAL 68.A N ALA 65.A O no hydrogen 3.154 N/A VAL 70.A N ARG 83.A O no hydrogen 2.848 N/A ASP 72.A N PHE 81.A O no hydrogen 2.950 N/A ASP 75.A N GLU 79.A O no hydrogen 2.789 N/A ASN 77.A N ASP 75.A OD1 no hydrogen 2.695 N/A GLY 78.A N ASP 75.A O no hydrogen 2.695 N/A GLU 79.A N ASP 75.A OD1 no hydrogen 2.602 N/A PHE 81.A N ASP 72.A O no hydrogen 3.382 N/A ARG 83.A N VAL 70.A O no hydrogen 2.849 N/A ARG 83.A NE ASP 72.A OD1 no hydrogen 2.659 N/A ARG 83.A NH1 PRO 84.A O no hydrogen 3.018 N/A ARG 83.A NH1 ASP 89.A OD2 no hydrogen 3.277 N/A ARG 83.A NH2 ASP 89.A OD1 no hydrogen 3.138 N/A LYS 86.A N ASP 89.A OD2 no hydrogen 2.836 N/A ASP 89.A N LYS 86.A O no hydrogen 3.265 N/A PHE 91.A N VAL 46.A O no hydrogen 3.228 N/A GLU 99.A N GLU 99.A OE1 no hydrogen 2.825 N/A ALA 100.A N ASN 97.A O no hydrogen 3.109 N/A ALA 100.A N ASN 97.A OD1 no hydrogen 2.819 N/A ALA 101.A N ASN 97.A O no hydrogen 3.239 N/A ARG 102.A N PRO 98.A O no hydrogen 2.935 N/A ALA 104.A N ALA 100.A O no hydrogen 3.285 N/A ASN 105.A N ARG 102.A O no hydrogen 2.953 N/A ASN 105.A ND2 ALA 101.A O no hydrogen 3.484 N/A GLY 107.A N ARG 102.A O no hydrogen 2.812 N/A LEU 113.A N SER 42.A O no hydrogen 2.970 N/A SER 114.A OG ASP 112.A OD1 no hydrogen 2.303 N/A ASN 118.A N TYR 115.A O no hydrogen 3.063 N/A ASN 118.A ND2 GLU 195.A OE2 no hydrogen 3.455 N/A ALA 119.A N ILE 116.A O no hydrogen 2.590 N/A ARG 120.A N ILE 116.A O no hydrogen 3.281 N/A GLY 123.A N ARG 120.A O no hydrogen 3.455 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.671 N/A ASP 125.A N GLY 122.A O no hydrogen 2.874 N/A TYR 126.A N GLY 123.A O no hydrogen 2.502 N/A VAL 127.A N GLY 123.A O no hydrogen 2.812 N/A PHE 128.A N GLU 124.A O no hydrogen 2.851 N/A SER 129.A OG ASP 125.A O no hydrogen 2.688 N/A LEU 130.A N TYR 126.A O no hydrogen 2.832 N/A LEU 131.A N VAL 127.A O no hydrogen 3.253 N/A THR 132.A N PHE 128.A O no hydrogen 3.107 N/A THR 132.A OG1 PHE 128.A O no hydrogen 3.343 N/A THR 132.A OG1 SER 129.A O no hydrogen 3.032 N/A GLY 133.A N SER 129.A O no hydrogen 2.517 N/A CYS 135.A SG GLY 133.A O no hydrogen 3.909 N/A CYS 135.A SG ASP 136.A O no hydrogen 3.724 N/A VAL 141.A N PRO 138.A O no hydrogen 3.211 N/A LEU 147.A N ARG 144.A O no hydrogen 3.172 N/A HIS 148.A N ILE 158.A O no hydrogen 2.952 N/A ASN 150.A N GLN 156.A O no hydrogen 2.760 N/A ASN 150.A ND2 LEU 130.A O no hydrogen 2.814 N/A TYR 152.A N ASN 150.A OD1 no hydrogen 2.977 N/A PHE 153.A N ASN 150.A O no hydrogen 3.100 N/A GLN 156.A N PHE 153.A O no hydrogen 2.798 N/A GLN 156.A NE2 LEU 3.A O no hydrogen 3.357 N/A ILE 158.A N HIS 148.A O no hydrogen 2.932 N/A GLU 167.A N ALA 177.A O no hydrogen 2.675 N/A ILE 168.A N TYR 165.A O no hydrogen 2.843 N/A GLY 174.A N TYR 171.A O no hydrogen 3.134 N/A THR 175.A N ASP 173.A OD1 no hydrogen 3.111 N/A THR 175.A OG1 ASP 173.A OD1 no hydrogen 2.910 N/A THR 175.A OG1 ASP 173.A OD2 no hydrogen 2.993 N/A THR 178.A N PRO 176.A O no hydrogen 2.545 N/A MET 179.A N ASN 166.A OD1 no hydrogen 3.027 N/A GLN 181.A N THR 178.A OG1 no hydrogen 3.187 N/A GLN 181.A NE2 ASP 185.A OD2 no hydrogen 2.498 N/A ILE 182.A N THR 178.A O no hydrogen 3.082 N/A ILE 182.A N MET 179.A O no hydrogen 2.648 N/A ALA 183.A N MET 179.A O no hydrogen 3.004 N/A ASP 185.A N GLN 181.A O no hydrogen 3.266 N/A VAL 186.A N ILE 182.A O no hydrogen 2.893 N/A CYS 187.A SG GLU 124.A O no hydrogen 3.709 N/A THR 188.A N LYS 184.A O no hydrogen 2.855 N/A THR 188.A OG1 LYS 184.A O no hydrogen 3.546 N/A PHE 189.A N ASP 185.A O no hydrogen 2.924 N/A LEU 190.A N VAL 186.A O no hydrogen 2.885 N/A ARG 191.A N CYS 187.A O no hydrogen 3.241 N/A ARG 191.A NE GLU 124.A OE1 no hydrogen 3.059 N/A ARG 191.A NE GLU 124.A OE2 no hydrogen 3.074 N/A ARG 191.A NH1 ASN 118.A OD1 no hydrogen 3.200 N/A ARG 191.A NH2 ASN 118.A OD1 no hydrogen 3.530 N/A ARG 191.A NH2 GLU 124.A OE1 no hydrogen 2.711 N/A ALA 193.A N PHE 189.A O no hydrogen 3.013 N/A ALA 194.A N ARG 191.A O no hydrogen 2.529 N/A GLU 195.A N ARG 191.A O no hydrogen 3.202 N/A GLU 195.A N TRP 192.A O no hydrogen 2.598 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.563 N/A HIS 198.A N GLU 195.A O no hydrogen 2.972 N/A HIS 198.A ND1 ASP 199.A OD1 no hydrogen 3.075 N/A ARG 201.A N GLU 197.A O no hydrogen 3.441 N/A ARG 201.A NH2 GLU 195.A OE1 no hydrogen 2.772 N/A LYS 202.A N HIS 198.A O no hydrogen 2.990 N/A LYS 202.A NZ HIS 14.A O no hydrogen 3.031 N/A LYS 202.A NZ GLY 16.A O no hydrogen 3.507 N/A LYS 202.A NZ SER 19.A O no hydrogen 3.383 N/A LYS 202.A NZ HIS 198.A NE2 no hydrogen 2.748 N/A ARG 203.A N ASP 199.A O no hydrogen 2.763 N/A MET 204.A N GLN 200.A O no hydrogen 2.790 N/A GLY 205.A N ARG 201.A O no hydrogen 3.008 N/A LEU 206.A N LYS 202.A O no hydrogen 2.875 N/A LYS 207.A N ARG 203.A O no hydrogen 3.201 N/A MET 208.A N MET 204.A O no hydrogen 2.737 N/A LEU 209.A N GLY 205.A O no hydrogen 2.980 N/A LEU 210.A N LEU 206.A O no hydrogen 2.995 N/A ILE 211.A N LYS 207.A O no hydrogen 2.867 N/A SER 212.A N MET 208.A O no hydrogen 2.872 N/A ALA 213.A N LEU 209.A O no hydrogen 2.791 N/A ALA 213.A N LEU 210.A O no hydrogen 3.201 N/A LEU 214.A N LEU 210.A O no hydrogen 3.155 N/A LEU 215.A N ILE 211.A O no hydrogen 2.728 N/A THR 216.A N SER 212.A O no hydrogen 3.153 N/A THR 216.A OG1 SER 212.A O no hydrogen 2.834 N/A SER 217.A N ALA 213.A O no hydrogen 3.073 N/A SER 217.A OG ALA 213.A O no hydrogen 2.718 N/A LEU 218.A N LEU 214.A O no hydrogen 2.733 N/A LEU 219.A N LEU 215.A O no hydrogen 2.963 N/A TYR 220.A N THR 216.A O no hydrogen 2.982 N/A TYR 221.A N SER 217.A O no hydrogen 3.343 N/A MET 222.A N LEU 218.A O no hydrogen 3.358 N/A LYS 223.A N LEU 219.A O no hydrogen 2.718 N/A ARG 224.A N TYR 220.A O no hydrogen 2.968 N/A HIS 225.A N TYR 221.A O no hydrogen 2.598 N/A LYS 226.A N MET 222.A O no hydrogen 3.150 N/A TRP 227.A N LYS 223.A O no hydrogen 3.123 N/A SER 228.A N ARG 224.A O no hydrogen 2.467 N/A SER 228.A N HIS 225.A O no hydrogen 3.242 N/A SER 228.A OG HIS 225.A O no hydrogen 2.467 N/A LEU 230.A N TRP 227.A O no hydrogen 2.498 N/A LYS 231.A N TRP 227.A O no hydrogen 2.901 N/A SER 232.A N SER 228.A O no hydrogen 2.889 N/A SER 232.A OG SER 228.A O no hydrogen 3.080 N/A