Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ws3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 7.A N LEU 37.A O no hydrogen 3.231 N/A TYR 7.A OH VAL 54.A O no hydrogen 2.665 N/A LYS 9.A N VAL 35.A O no hydrogen 3.056 N/A ASN 11.A N ASP 10.A OD1 no hydrogen 2.737 N/A VAL 12.A N VAL 33.A O no hydrogen 3.022 N/A ARG 13.A NH2 GLU 30.A OE2 no hydrogen 3.208 N/A VAL 14.A N MET 31.A O no hydrogen 2.873 N/A LYS 16.A N TYR 29.A O no hydrogen 2.842 N/A LYS 16.A NZ ALA 67.A O no hydrogen 2.787 N/A LYS 16.A NZ ASN 70.A O no hydrogen 2.627 N/A HIS 18.A N THR 27.A O no hydrogen 2.750 N/A LYS 19.A NZ GLN 26.A OE1 no hydrogen 2.782 N/A ASP 20.A N VAL 25.A O no hydrogen 3.140 N/A THR 23.A N ASP 20.A OD2 no hydrogen 3.200 N/A GLY 24.A N ASP 20.A O no hydrogen 2.731 N/A VAL 25.A N THR 23.A OG1 no hydrogen 3.079 N/A GLN 26.A N PRO 116.A O no hydrogen 2.762 N/A THR 27.A N HIS 18.A O no hydrogen 2.799 N/A TYR 29.A N LYS 16.A O no hydrogen 2.924 N/A MET 31.A N VAL 14.A O no hydrogen 2.959 N/A THR 32.A N VAL 101.A O no hydrogen 2.934 N/A VAL 33.A N VAL 12.A O no hydrogen 2.936 N/A CYS 34.A N ASN 99.A O no hydrogen 2.902 N/A CYS 34.A SG LYS 9.A O no hydrogen 3.886 N/A VAL 35.A N LYS 9.A O no hydrogen 2.988 N/A LEU 36.A N HIS 97.A O no hydrogen 2.865 N/A LEU 37.A N TYR 7.A O no hydrogen 2.758 N/A GLU 38.A N ALA 95.A O no hydrogen 3.057 N/A GLU 40.A N HIS 92.A O no hydrogen 2.754 N/A ILE 41.A N GLY 39.A O no hydrogen 2.781 N/A THR 43.A OG1 ASP 49.A OD2 no hydrogen 3.396 N/A SER 44.A N ILE 41.A O no hydrogen 2.987 N/A SER 44.A OG ILE 41.A O no hydrogen 2.614 N/A TYR 45.A N GLU 42.A O no hydrogen 2.782 N/A THR 46.A N GLU 42.A O no hydrogen 2.943 N/A THR 46.A OG1 GLU 42.A O no hydrogen 3.046 N/A LYS 47.A N THR 43.A O no hydrogen 2.608 N/A ASP 49.A N THR 43.A O no hydrogen 3.247 N/A SER 51.A N ASP 49.A OD1 no hydrogen 2.928 N/A SER 51.A OG ASP 49.A OD1 no hydrogen 2.271 N/A ILE 53.A N ASN 50.A O no hydrogen 3.014 N/A VAL 54.A N TYR 7.A OH no hydrogen 2.816 N/A ILE 59.A N ALA 55.A O no hydrogen 3.048 N/A LYS 60.A N THR 56.A O no hydrogen 2.959 N/A LYS 60.A NZ ASP 57.A OD1 no hydrogen 2.908 N/A ASN 61.A N ASP 57.A O no hydrogen 2.897 N/A THR 62.A N SER 58.A O no hydrogen 2.806 N/A THR 62.A OG1 SER 58.A O no hydrogen 2.929 N/A ILE 63.A N ILE 59.A O no hydrogen 3.023 N/A TYR 64.A N LYS 60.A O no hydrogen 3.179 N/A TYR 64.A OH ARG 13.A O no hydrogen 3.375 N/A ILE 65.A N ASN 61.A O no hydrogen 2.844 N/A THR 66.A N THR 62.A O no hydrogen 2.695 N/A THR 66.A OG1 THR 62.A O no hydrogen 2.688 N/A ALA 67.A N ILE 63.A O no hydrogen 2.977 N/A LYS 68.A N TYR 64.A O no hydrogen 3.045 N/A LYS 68.A N ILE 65.A O no hydrogen 2.857 N/A GLN 69.A N ILE 65.A O no hydrogen 3.136 N/A ASN 70.A ND2 THR 66.A O no hydrogen 3.033 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.727 N/A LEU 77.A N PRO 74.A O no hydrogen 2.913 N/A PHE 78.A N PRO 74.A O no hydrogen 3.216 N/A GLY 79.A N PRO 75.A O no hydrogen 2.788 N/A SER 80.A N GLU 76.A O no hydrogen 3.259 N/A SER 80.A OG GLU 76.A O no hydrogen 2.827 N/A ILE 81.A N LEU 77.A O no hydrogen 2.864 N/A LEU 82.A N PHE 78.A O no hydrogen 2.754 N/A GLY 83.A N GLY 79.A O no hydrogen 2.862 N/A THR 84.A N SER 80.A O no hydrogen 2.953 N/A THR 84.A OG1 SER 80.A O no hydrogen 3.320 N/A HIS 85.A N ILE 81.A O no hydrogen 3.026 N/A ILE 87.A N GLY 83.A O no hydrogen 3.405 N/A GLU 88.A N THR 84.A O no hydrogen 3.050 N/A LYS 89.A N HIS 85.A O no hydrogen 2.949 N/A TYR 90.A N PHE 86.A O no hydrogen 3.389 N/A HIS 92.A N HIS 92.A ND1 no hydrogen 2.866 N/A HIS 92.A NE2 VAL 52.A O no hydrogen 2.805 N/A HIS 94.A N GLU 38.A O no hydrogen 2.988 N/A HIS 94.A ND1 GLU 135.A OE1 no hydrogen 2.889 N/A HIS 94.A NE2 GLU 40.A OE2 no hydrogen 2.594 N/A ALA 95.A N GLU 38.A O no hydrogen 3.169 N/A ALA 96.A N VAL 133.A O no hydrogen 2.916 N/A HIS 97.A N LEU 36.A O no hydrogen 2.828 N/A HIS 97.A ND1 ASP 132.A OD1 no hydrogen 2.871 N/A HIS 97.A NE2 GLU 38.A OE2 no hydrogen 2.894 N/A VAL 98.A N VAL 131.A O no hydrogen 3.059 N/A ASN 99.A N CYS 34.A O no hydrogen 2.823 N/A ILE 100.A N VAL 129.A O no hydrogen 2.937 N/A VAL 101.A N THR 32.A O no hydrogen 2.930 N/A CYS 102.A N ARG 127.A O no hydrogen 2.800 N/A HIS 103.A N GLU 30.A O no hydrogen 3.035 N/A ARG 104.A NE ASP 122.A OD1 no hydrogen 3.005 N/A ARG 104.A NE ASP 122.A OD2 no hydrogen 3.418 N/A ARG 104.A NH2 ASP 122.A OD2 no hydrogen 3.107 N/A TRP 105.A NE1 GLU 30.A OE1 no hydrogen 2.905 N/A THR 106.A N ILE 120.A O no hydrogen 2.911 N/A THR 106.A OG1 ASP 122.A OD1 no hydrogen 2.494 N/A ARG 107.A NH1 GLN 26.A O no hydrogen 2.928 N/A ARG 107.A NH1 HIS 115.A O no hydrogen 2.782 N/A ARG 107.A NH1 PRO 116.A O no hydrogen 3.120 N/A ARG 107.A NH2 GLN 26.A O no hydrogen 2.889 N/A ARG 107.A NH2 THR 27.A OG1 no hydrogen 3.127 N/A MET 108.A N SER 118.A O no hydrogen 2.894 N/A ILE 110.A N LYS 113.A O no hydrogen 2.928 N/A LYS 113.A N ILE 110.A O no hydrogen 3.106 N/A HIS 115.A N MET 108.A O no hydrogen 2.763 N/A HIS 117.A N HIS 115.A ND1 no hydrogen 3.169 N/A ILE 120.A N THR 106.A O no hydrogen 2.735 N/A ARG 121.A NE ARG 104.A O no hydrogen 2.742 N/A ARG 121.A NH1 GLU 124.A OE2 no hydrogen 3.476 N/A GLU 125.A N SER 123.A OG no hydrogen 3.135 N/A LYS 126.A N SER 146.A O no hydrogen 2.755 N/A LYS 126.A NZ GLU 124.A OE2 no hydrogen 3.403 N/A ARG 127.A N CYS 102.A O no hydrogen 3.441 N/A ARG 127.A NH1 ASP 204.A OD1 no hydrogen 3.207 N/A ARG 127.A NH2 GLU 76.A OE1 no hydrogen 3.065 N/A ARG 127.A NH2 ASP 204.A OD1 no hydrogen 3.046 N/A ASN 128.A N SER 144.A O no hydrogen 2.829 N/A VAL 129.A N ILE 100.A O no hydrogen 2.958 N/A GLN 130.A N LYS 142.A O no hydrogen 2.977 N/A VAL 131.A N VAL 98.A O no hydrogen 2.880 N/A ASP 132.A N ASP 140.A O no hydrogen 2.719 N/A VAL 133.A N ALA 96.A O no hydrogen 2.931 N/A VAL 134.A N GLY 138.A O no hydrogen 3.306 N/A GLU 135.A N HIS 94.A O no hydrogen 2.701 N/A LYS 137.A N VAL 134.A O no hydrogen 2.817 N/A ILE 139.A N PHE 190.A O no hydrogen 2.775 N/A ASP 140.A N ASP 132.A O no hydrogen 2.747 N/A LYS 142.A N GLN 130.A O no hydrogen 2.873 N/A SER 143.A N TRP 185.A O no hydrogen 2.844 N/A SER 143.A OG GLU 76.A OE2 no hydrogen 2.650 N/A SER 144.A N ASN 128.A O no hydrogen 3.069 N/A SER 144.A OG ASN 128.A OD1 no hydrogen 3.562 N/A LEU 145.A N ALA 183.A O no hydrogen 2.952 N/A SER 146.A N LYS 126.A O no hydrogen 2.941 N/A SER 146.A OG ASN 128.A OD1 no hydrogen 3.048 N/A THR 149.A OG1 ASP 180.A OD1 no hydrogen 2.317 N/A VAL 150.A N THR 179.A O no hydrogen 2.974 N/A LYS 152.A N LEU 177.A O no hydrogen 2.882 N/A LYS 152.A NZ ASN 155.A O no hydrogen 3.257 N/A LYS 152.A NZ PHE 218.A O no hydrogen 2.974 N/A LYS 152.A NZ ALA 219.A O no hydrogen 3.254 N/A THR 154.A OG1 ASP 174.A OD1 no hydrogen 2.565 N/A THR 154.A OG1 ASP 174.A OD2 no hydrogen 3.132 N/A GLN 157.A N SER 223.A O no hydrogen 3.065 N/A GLN 157.A NE2 ASN 222.A OD1 no hydrogen 2.665 N/A PHE 158.A N THR 172.A O no hydrogen 2.754 N/A TRP 159.A NE1 GLN 157.A OE1 no hydrogen 3.311 N/A GLY 160.A N GLU 171.A OE2 no hydrogen 2.693 N/A ARG 163.A NH1 LEU 169.A O no hydrogen 2.942 N/A ARG 163.A NH2 LEU 169.A O no hydrogen 2.956 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.546 N/A TYR 166.A N ASP 164.A OD1 no hydrogen 3.396 N/A THR 167.A N ASP 164.A O no hydrogen 3.083 N/A THR 167.A OG1 ASP 164.A OD1 no hydrogen 3.180 N/A THR 172.A N PHE 158.A O no hydrogen 2.626 N/A THR 172.A OG1 ASP 174.A O no hydrogen 2.759 N/A ARG 175.A NE SER 156.A OG no hydrogen 3.198 N/A LEU 177.A N LYS 152.A O no hydrogen 2.993 N/A SER 178.A OG VAL 150.A O no hydrogen 3.103 N/A THR 179.A N VAL 150.A O no hydrogen 3.013 N/A THR 179.A OG1 ASP 180.A O no hydrogen 3.062 N/A THR 179.A OG1 PRO 252.A O no hydrogen 3.371 N/A VAL 181.A N LEU 148.A O no hydrogen 2.560 N/A ASP 182.A N SER 250.A O no hydrogen 3.012 N/A ALA 183.A N LEU 145.A O no hydrogen 3.022 N/A THR 184.A N GLU 248.A O no hydrogen 2.746 N/A TRP 185.A N SER 143.A O no hydrogen 2.859 N/A GLN 186.A N THR 246.A O no hydrogen 2.810 N/A GLN 186.A NE2 THR 246.A OG1 no hydrogen 3.403 N/A TRP 187.A N ILE 141.A O no hydrogen 2.970 N/A TRP 187.A NE1 SER 143.A OG no hydrogen 3.089 N/A LYS 188.A N LEU 243.A O no hydrogen 2.919 N/A LYS 188.A NZ ASN 189.A O no hydrogen 2.961 N/A LYS 188.A NZ GLU 195.A OE2 no hydrogen 2.628 N/A ASN 189.A ND2 LYS 137.A O no hydrogen 2.910 N/A ASN 189.A ND2 ASP 140.A OD1 no hydrogen 3.061 N/A PHE 190.A N ILE 139.A O no hydrogen 3.030 N/A SER 191.A N GLU 195.A OE1 no hydrogen 3.047 N/A SER 191.A OG GLU 195.A OE1 no hydrogen 2.939 N/A VAL 196.A N GLY 192.A O no hydrogen 3.255 N/A ARG 197.A N LEU 193.A O no hydrogen 2.860 N/A SER 198.A N GLN 194.A O no hydrogen 2.828 N/A SER 198.A OG GLU 195.A O no hydrogen 2.711 N/A SER 198.A OG HIS 199.A ND1 no hydrogen 3.284 N/A HIS 199.A N VAL 196.A O no hydrogen 2.686 N/A HIS 199.A ND1 GLU 195.A O no hydrogen 3.128 N/A VAL 200.A N ARG 197.A O no hydrogen 3.445 N/A LYS 202.A N HIS 199.A O no hydrogen 2.675 N/A PHE 203.A N VAL 200.A O no hydrogen 3.095 N/A THR 206.A N LYS 202.A O no hydrogen 2.974 N/A THR 206.A N PHE 203.A O no hydrogen 3.235 N/A THR 206.A OG1 LYS 202.A O no hydrogen 2.252 N/A TRP 207.A N PHE 203.A O no hydrogen 3.129 N/A ALA 208.A N ASP 204.A O no hydrogen 2.897 N/A THR 209.A N ALA 205.A O no hydrogen 2.971 N/A THR 209.A OG1 ALA 205.A O no hydrogen 2.728 N/A ALA 210.A N THR 206.A O no hydrogen 2.772 N/A ARG 211.A N TRP 207.A O no hydrogen 3.050 N/A ARG 211.A NE GLU 125.A OE1 no hydrogen 3.231 N/A ARG 211.A NE GLU 125.A OE2 no hydrogen 3.103 N/A ARG 211.A NH2 GLU 125.A OE1 no hydrogen 3.003 N/A GLU 212.A N ALA 208.A O no hydrogen 3.001 N/A VAL 213.A N THR 209.A O no hydrogen 2.760 N/A THR 214.A N ALA 210.A O no hydrogen 3.065 N/A THR 214.A OG1 ALA 210.A O no hydrogen 2.530 N/A THR 214.A OG1 TYR 249.A OH no hydrogen 2.750 N/A LEU 215.A N ARG 211.A O no hydrogen 2.957 N/A LYS 216.A N GLU 212.A O no hydrogen 2.907 N/A LYS 216.A NZ GLU 220.A OE1 no hydrogen 3.338 N/A LYS 216.A NZ GLU 220.A OE2 no hydrogen 3.166 N/A THR 217.A N VAL 213.A O no hydrogen 2.960 N/A THR 217.A OG1 VAL 213.A O no hydrogen 2.475 N/A PHE 218.A N THR 214.A O no hydrogen 3.030 N/A ALA 219.A N LEU 215.A O no hydrogen 2.903 N/A GLU 220.A N LYS 216.A O no hydrogen 2.830 N/A ASP 221.A N THR 217.A O no hydrogen 2.875 N/A SER 223.A OG SER 225.A O no hydrogen 3.025 N/A SER 225.A N SER 223.A OG no hydrogen 2.465 N/A THR 229.A N SER 225.A O no hydrogen 3.007 N/A THR 229.A OG1 ASP 221.A OD2 no hydrogen 3.095 N/A THR 229.A OG1 SER 225.A O no hydrogen 3.216 N/A MET 230.A N VAL 226.A O no hydrogen 2.906 N/A TYR 231.A N GLN 227.A O no hydrogen 3.072 N/A LYS 232.A N ALA 228.A O no hydrogen 3.138 N/A LYS 232.A NZ ASP 221.A OD1 no hydrogen 2.727 N/A LYS 232.A NZ ASP 221.A OD2 no hydrogen 3.085 N/A MET 233.A N THR 229.A O no hydrogen 3.210 N/A ALA 234.A N MET 230.A O no hydrogen 3.026 N/A GLU 235.A N TYR 231.A O no hydrogen 2.987 N/A GLN 236.A N LYS 232.A O no hydrogen 3.149 N/A GLN 236.A NE2 THR 217.A OG1 no hydrogen 3.250 N/A GLN 236.A NE2 LYS 232.A O no hydrogen 3.085 N/A ILE 237.A N MET 233.A O no hydrogen 3.209 N/A LEU 238.A N ALA 234.A O no hydrogen 2.932 N/A ALA 239.A N GLU 235.A O no hydrogen 2.821 N/A ARG 240.A N GLN 236.A O no hydrogen 2.997 N/A ARG 240.A NH2 GLN 236.A OE1 no hydrogen 3.244 N/A GLN 241.A N LEU 238.A O no hydrogen 3.304 N/A LEU 243.A N GLN 241.A OE1 no hydrogen 3.038 N/A ILE 244.A N GLN 241.A O no hydrogen 3.200 N/A GLU 245.A N GLN 186.A O no hydrogen 2.710 N/A VAL 247.A N VAL 291.A O no hydrogen 3.017 N/A GLU 248.A N THR 184.A O no hydrogen 2.510 N/A TYR 249.A N CYS 289.A O no hydrogen 3.112 N/A TYR 249.A OH THR 214.A OG1 no hydrogen 2.750 N/A SER 250.A N ASP 182.A O no hydrogen 2.768 N/A LEU 251.A N ILE 287.A O no hydrogen 2.809 N/A LYS 254.A N SER 178.A O no hydrogen 3.110 N/A LYS 254.A NZ ASP 180.A OD1 no hydrogen 2.652 N/A PHE 257.A N ALA 278.A O no hydrogen 3.067 N/A SER 262.A N ASP 260.A OD1 no hydrogen 2.845 N/A SER 262.A OG ASP 260.A OD1 no hydrogen 3.174 N/A HIS 264.A N LEU 261.A O no hydrogen 2.806 N/A LEU 267.A N HIS 264.A O no hydrogen 2.898 N/A GLN 268.A NE2 GLY 266.A O no hydrogen 3.403 N/A ASN 269.A ND2 ILE 259.A O no hydrogen 2.774 N/A ASN 269.A ND2 VAL 276.A O no hydrogen 2.855 N/A GLY 271.A N GLU 258.A OE2 no hydrogen 2.960 N/A ASN 273.A N THR 270.A O no hydrogen 2.779 N/A ALA 274.A N GLY 271.A O no hydrogen 3.315 N/A GLU 275.A N ASN 269.A OD1 no hydrogen 3.096 N/A VAL 276.A N ASN 269.A OD1 no hydrogen 3.143 N/A ALA 278.A N PHE 257.A O no hydrogen 2.919 N/A GLN 280.A N HIS 255.A O no hydrogen 2.838 N/A GLN 280.A NE2 ALA 278.A O no hydrogen 2.843 N/A ASN 284.A ND2 GLY 285.A O no hydrogen 3.559 N/A GLY 285.A N HIS 255.A NE2 no hydrogen 3.154 N/A ILE 287.A N LEU 251.A O no hydrogen 2.984 N/A CYS 289.A N TYR 249.A O no hydrogen 3.176 N/A VAL 291.A N VAL 247.A O no hydrogen 2.881 N/A ARG 293.A NE ILE 244.A O no hydrogen 3.069 N/A ARG 293.A NH2 LEU 238.A O no hydrogen 3.184 N/A ARG 293.A NH2 GLN 242.A O no hydrogen 3.250 N/A ARG 293.A NH2 ILE 244.A O no hydrogen 3.126 N/A