Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iks_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH GLU 258.A OE2 no hydrogen 2.704 N/A THR 4.A OG1 THR 268.A O no hydrogen 2.700 N/A LEU 7.A N GLU 119.A OE2 no hydrogen 2.962 N/A ARG 8.A NH1 GLY 5.A O no hydrogen 2.798 N/A ARG 8.A NH1 LEU 7.A O no hydrogen 3.028 N/A HIS 10.A N ASP 127.A OD2 no hydrogen 2.917 N/A HIS 10.A ND1 ARG 8.A O no hydrogen 2.836 N/A MET 14.A N GLU 84.A OE1 no hydrogen 2.709 N/A ILE 23.A N PRO 20.A O no hydrogen 3.135 N/A ARG 25.A NE ASP 30.A OD1 no hydrogen 3.197 N/A ARG 25.A NE ASP 30.A OD2 no hydrogen 3.145 N/A ARG 25.A NH2 ASP 30.A OD1 no hydrogen 2.875 N/A TYR 28.A OH SER 102.A O no hydrogen 2.636 N/A TYR 28.A OH HIS 149.A NE2 no hydrogen 3.413 N/A ALA 29.A N PRO 26.A O no hydrogen 3.164 N/A HIS 31.A N TYR 28.A O no hydrogen 3.135 N/A LEU 33.A N HIS 31.A ND1 no hydrogen 3.107 N/A GLY 34.A N HIS 31.A O no hydrogen 2.873 N/A MET 35.A N HIS 31.A ND1 no hydrogen 3.382 N/A SER 36.A N TYR 107.A OH no hydrogen 3.477 N/A SER 36.A OG ASP 27.A OD1 no hydrogen 2.841 N/A SER 36.A OG ASP 27.A OD2 no hydrogen 3.371 N/A SER 38.A N ASP 27.A OD2 no hydrogen 2.998 N/A SER 38.A OG ASP 27.A OD2 no hydrogen 2.636 N/A SER 38.A OG SER 36.A OG no hydrogen 3.232 N/A GLU 39.A N SER 36.A OG no hydrogen 3.297 N/A GLN 40.A N SER 36.A O no hydrogen 2.914 N/A ALA 41.A N GLU 37.A O no hydrogen 2.940 N/A LEU 42.A N GLU 39.A O no hydrogen 3.088 N/A LYS 43.A N GLN 40.A O no hydrogen 3.139 N/A THR 45.A N LEU 42.A O no hydrogen 3.025 N/A THR 45.A OG1 LEU 42.A O no hydrogen 2.652 N/A LEU 51.A N GLY 241.A O no hydrogen 3.045 N/A SER 52.A N ASP 55.A OD2 no hydrogen 3.082 N/A ASP 55.A N SER 52.A OG no hydrogen 3.043 N/A ILE 56.A N SER 52.A O no hydrogen 2.893 N/A GLU 57.A N SER 53.A O no hydrogen 3.130 N/A GLY 58.A N GLU 54.A O no hydrogen 3.025 N/A MET 59.A N ASP 55.A O no hydrogen 2.819 N/A ARG 60.A N ILE 56.A O no hydrogen 2.778 N/A ARG 60.A NE GLU 289.A OE2 no hydrogen 2.579 N/A ARG 60.A NH1 GLU 57.A OE2 no hydrogen 2.535 N/A ARG 60.A NH2 GLU 289.A OE1 no hydrogen 2.673 N/A ARG 60.A NH2 GLU 289.A OE2 no hydrogen 3.281 N/A LEU 61.A N GLU 57.A O no hydrogen 3.052 N/A VAL 62.A N GLY 58.A O no hydrogen 3.157 N/A CYS 63.A N MET 59.A O no hydrogen 2.957 N/A CYS 63.A SG MET 59.A O no hydrogen 3.274 N/A ARG 64.A N ARG 60.A O no hydrogen 3.084 N/A LEU 65.A N LEU 61.A O no hydrogen 3.039 N/A ALA 66.A N VAL 62.A O no hydrogen 2.842 N/A ARG 67.A N CYS 63.A O no hydrogen 3.043 N/A ARG 67.A NE THR 292.A O no hydrogen 2.929 N/A ARG 67.A NH1 ASP 71.A OD1 no hydrogen 3.063 N/A ARG 67.A NH1 GLU 154.A OE2 no hydrogen 2.834 N/A ARG 67.A NH2 GLU 154.A OE2 no hydrogen 3.078 N/A ARG 67.A NH2 THR 292.A O no hydrogen 3.325 N/A GLU 68.A N ARG 64.A O no hydrogen 3.054 N/A VAL 69.A N LEU 65.A O no hydrogen 3.119 N/A LEU 70.A N ALA 66.A O no hydrogen 2.929 N/A ASP 71.A N ARG 67.A O no hydrogen 2.960 N/A VAL 72.A N GLU 68.A O no hydrogen 3.042 N/A ALA 73.A N VAL 69.A O no hydrogen 3.091 N/A ALA 74.A N LEU 70.A O no hydrogen 2.860 N/A GLY 75.A N ASP 71.A O no hydrogen 3.242 N/A MET 76.A N ALA 73.A O no hydrogen 3.002 N/A ILE 77.A N ALA 74.A O no hydrogen 3.303 N/A GLY 80.A N LEU 131.A O no hydrogen 2.782 N/A VAL 81.A N LYS 78.A O no hydrogen 3.357 N/A THR 82.A N GLU 85.A OE2 no hydrogen 3.106 N/A THR 82.A OG1 GLU 85.A OE2 no hydrogen 3.164 N/A THR 83.A N ARG 129.A O no hydrogen 3.415 N/A THR 83.A OG1 ASP 127.A O no hydrogen 3.293 N/A GLU 84.A N ASP 127.A O no hydrogen 2.969 N/A GLU 85.A N THR 82.A OG1 no hydrogen 3.067 N/A ILE 86.A N THR 82.A O no hydrogen 3.248 N/A ASP 87.A N THR 83.A O no hydrogen 2.965 N/A HIS 88.A N GLU 84.A O no hydrogen 2.899 N/A ALA 89.A N GLU 85.A O no hydrogen 3.142 N/A VAL 90.A N ILE 86.A O no hydrogen 2.866 N/A HIS 91.A N ASP 87.A O no hydrogen 2.819 N/A HIS 91.A ND1 SER 112.A OG no hydrogen 2.708 N/A HIS 91.A NE2 PRO 18.A O no hydrogen 2.865 N/A LEU 92.A N HIS 88.A O no hydrogen 2.915 N/A ALA 93.A N ALA 89.A O no hydrogen 2.865 N/A CYS 94.A N VAL 90.A O no hydrogen 2.880 N/A CYS 94.A SG VAL 90.A O no hydrogen 3.360 N/A ILE 95.A N HIS 91.A O no hydrogen 3.151 N/A ALA 96.A N LEU 92.A O no hydrogen 2.801 N/A ARG 97.A N CYS 94.A O no hydrogen 3.045 N/A ARG 97.A NE GLU 68.A OE1 no hydrogen 2.841 N/A ARG 97.A NH1 ALA 93.A O no hydrogen 2.951 N/A ASN 98.A N ILE 95.A O no hydrogen 2.858 N/A CYS 99.A N CYS 94.A O no hydrogen 2.894 N/A CYS 99.A SG ARG 97.A O no hydrogen 3.358 N/A TYR 100.A N TYR 144.A O no hydrogen 3.010 N/A TYR 100.A OH LEU 104.A O no hydrogen 2.672 N/A SER 102.A N THR 142.A O no hydrogen 2.846 N/A LEU 104.A N PRO 101.A O no hydrogen 2.948 N/A ASN 105.A N PHE 109.A O no hydrogen 2.782 N/A ASN 105.A ND2 TYR 28.A O no hydrogen 3.258 N/A ASN 105.A ND2 ALA 29.A O no hydrogen 3.064 N/A ASN 105.A ND2 HIS 31.A O no hydrogen 3.112 N/A TYR 106.A N PRO 103.A O no hydrogen 3.047 N/A TYR 106.A OH GLU 39.A OE1 no hydrogen 2.561 N/A TYR 106.A OH GLU 39.A OE2 no hydrogen 3.385 N/A TYR 106.A OH HIS 221.A ND1 no hydrogen 2.928 N/A TYR 107.A N GLY 34.A O no hydrogen 2.695 N/A ASN 108.A N ASN 105.A O no hydrogen 3.121 N/A ASN 108.A ND2 PRO 32.A O no hydrogen 3.104 N/A ASN 108.A ND2 ASN 105.A OD1 no hydrogen 2.792 N/A PHE 109.A N TYR 106.A O no hydrogen 3.015 N/A LYS 111.A NZ GLU 84.A OE1 no hydrogen 2.786 N/A SER 112.A N ASP 87.A OD1 no hydrogen 2.841 N/A SER 112.A OG HIS 91.A ND1 no hydrogen 2.708 N/A CYS 113.A SG ASP 87.A OD1 no hydrogen 3.500 N/A CYS 114.A N ASP 140.A O no hydrogen 3.193 N/A THR 115.A N GLY 124.A O no hydrogen 2.950 N/A SER 116.A N ASN 138.A O no hydrogen 2.860 N/A ASN 118.A N ILE 136.A O no hydrogen 2.923 N/A ASN 118.A ND2 ASP 135.A OD1 no hydrogen 3.034 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 2.824 N/A VAL 120.A N VAL 117.A O no hydrogen 2.853 N/A ILE 121.A N ALA 266.A O no hydrogen 2.698 N/A GLY 124.A N SER 116.A OG no hydrogen 3.285 N/A ASP 127.A N THR 83.A OG1 no hydrogen 2.844 N/A ARG 128.A N HIS 10.A O no hydrogen 3.169 N/A ARG 129.A N ASP 127.A OD1 no hydrogen 3.112 N/A ARG 129.A NH1 ASP 135.A OD2 no hydrogen 2.815 N/A ARG 129.A NH2 ASP 135.A OD1 no hydrogen 3.435 N/A ARG 129.A NH2 ASP 135.A OD2 no hydrogen 3.111 N/A LEU 131.A N VAL 81.A O no hydrogen 2.811 N/A GLN 132.A N ASP 135.A OD2 no hydrogen 2.890 N/A GLY 134.A N VAL 158.A O no hydrogen 2.902 N/A ASP 135.A N GLN 132.A O no hydrogen 2.895 N/A ILE 136.A N ASN 118.A OD1 no hydrogen 3.041 N/A VAL 137.A N PHE 156.A O no hydrogen 2.977 N/A ASN 138.A N SER 116.A O no hydrogen 3.015 N/A ASN 138.A ND2 ASN 153.A OD1 no hydrogen 2.829 N/A ASN 138.A ND2 THR 155.A OG1 no hydrogen 3.294 N/A ASN 138.A ND2 GLN 276.A O no hydrogen 2.899 N/A VAL 139.A N GLU 154.A O no hydrogen 3.098 N/A ASP 140.A N CYS 114.A O no hydrogen 2.876 N/A ILE 141.A N LEU 152.A O no hydrogen 2.868 N/A LEU 143.A N GLY 150.A O no hydrogen 2.980 N/A TYR 144.A N TYR 100.A O no hydrogen 2.844 N/A ARG 145.A N TYR 148.A O no hydrogen 2.940 N/A ARG 145.A NH1 ARG 97.A O no hydrogen 2.813 N/A TYR 148.A N ARG 145.A O no hydrogen 3.070 N/A TYR 148.A OH ASP 55.A OD1 no hydrogen 2.604 N/A HIS 149.A N HIS 217.A O no hydrogen 2.762 N/A GLY 150.A N LEU 143.A O no hydrogen 2.911 N/A ASP 151.A N THR 280.A OG1 no hydrogen 3.330 N/A LEU 152.A N ILE 141.A O no hydrogen 2.990 N/A ASN 153.A N GLU 278.A O no hydrogen 3.266 N/A ASN 153.A ND2 ASP 140.A OD2 no hydrogen 3.248 N/A GLU 154.A N VAL 139.A O no hydrogen 3.332 N/A THR 155.A OG1 GLN 276.A O no hydrogen 2.644 N/A PHE 156.A N VAL 137.A O no hydrogen 2.741 N/A VAL 158.A N ASP 135.A O no hydrogen 2.977 N/A GLU 160.A N GLU 133.A OE2 no hydrogen 2.923 N/A ALA 165.A N ASP 162.A OD1 no hydrogen 2.891 N/A ARG 166.A N ASP 162.A O no hydrogen 3.157 N/A ARG 166.A NH2 VAL 161.A O no hydrogen 3.485 N/A LYS 167.A N ASP 163.A O no hydrogen 2.905 N/A LYS 167.A NZ ASN 203.A O no hydrogen 2.944 N/A LEU 168.A N GLY 164.A O no hydrogen 2.861 N/A VAL 169.A N ALA 165.A O no hydrogen 2.945 N/A GLN 170.A N ARG 166.A O no hydrogen 3.001 N/A GLN 170.A NE2 GLU 174.A OE2 no hydrogen 2.963 N/A THR 171.A N LYS 167.A O no hydrogen 2.942 N/A THR 171.A OG1 LYS 167.A O no hydrogen 2.719 N/A THR 172.A N LEU 168.A O no hydrogen 2.947 N/A THR 172.A OG1 LEU 168.A O no hydrogen 2.789 N/A TYR 173.A N VAL 169.A O no hydrogen 3.005 N/A GLU 174.A N GLN 170.A O no hydrogen 2.956 N/A CYS 175.A N THR 171.A O no hydrogen 2.809 N/A CYS 175.A SG THR 171.A O no hydrogen 3.347 N/A CYS 175.A SG ILE 196.A O no hydrogen 3.557 N/A LEU 176.A N THR 172.A O no hydrogen 3.060 N/A MET 177.A N TYR 173.A O no hydrogen 2.966 N/A GLN 178.A N GLU 174.A O no hydrogen 2.877 N/A ALA 179.A N CYS 175.A O no hydrogen 3.102 N/A ILE 180.A N LEU 176.A O no hydrogen 2.926 N/A ASP 181.A N MET 177.A O no hydrogen 2.972 N/A ALA 182.A N ALA 179.A O no hydrogen 3.066 N/A VAL 183.A N ILE 180.A O no hydrogen 3.023 N/A GLY 186.A N MET 238.A O no hydrogen 2.739 N/A VAL 187.A N LYS 184.A O no hydrogen 3.267 N/A TYR 189.A N GLY 236.A O no hydrogen 3.240 N/A TYR 189.A OH HIS 242.A ND1 no hydrogen 2.826 N/A GLU 191.A N ARG 188.A O no hydrogen 3.112 N/A LEU 192.A N TYR 189.A O no hydrogen 3.345 N/A ASN 194.A ND2 GLU 191.A OE1 no hydrogen 3.018 N/A ILE 195.A N GLU 191.A O no hydrogen 3.298 N/A ILE 196.A N LEU 192.A O no hydrogen 2.938 N/A GLN 197.A N GLY 193.A O no hydrogen 2.953 N/A GLN 197.A NE2 GLN 201.A OE1 no hydrogen 2.706 N/A LYS 198.A N ASN 194.A O no hydrogen 3.105 N/A HIS 199.A N ILE 195.A O no hydrogen 3.301 N/A HIS 199.A NE2 GLU 174.A OE1 no hydrogen 2.781 N/A ALA 200.A N ILE 196.A O no hydrogen 3.054 N/A GLN 201.A N GLN 197.A O no hydrogen 2.828 N/A ALA 202.A N LYS 198.A O no hydrogen 3.090 N/A ASN 203.A N ALA 200.A O no hydrogen 2.942 N/A ASN 203.A ND2 HIS 199.A O no hydrogen 2.932 N/A GLY 204.A N GLN 201.A O no hydrogen 3.053 N/A PHE 205.A N ALA 200.A O no hydrogen 2.959 N/A SER 206.A N CYS 251.A O no hydrogen 3.030 N/A SER 206.A OG GLY 253.A O no hydrogen 2.707 N/A VAL 208.A N MET 249.A O no hydrogen 3.016 N/A SER 210.A OG ASP 257.A OD1 no hydrogen 2.528 N/A SER 210.A OG ASP 257.A OD2 no hydrogen 3.512 N/A GLY 213.A N VAL 226.A O no hydrogen 2.764 N/A HIS 214.A N THR 245.A OG1 no hydrogen 3.036 N/A HIS 214.A ND1 GLY 215.A O no hydrogen 3.098 N/A GLY 215.A N PRO 224.A O no hydrogen 2.932 N/A ILE 216.A N VAL 243.A O no hydrogen 3.483 N/A HIS 217.A N LEU 219.A O no hydrogen 2.971 N/A LYS 218.A N HIS 217.A ND1 no hydrogen 2.991 N/A PHE 220.A N GLU 39.A OE2 no hydrogen 2.872 N/A HIS 221.A N GLU 39.A OE2 no hydrogen 3.176 N/A HIS 221.A ND1 TYR 106.A OH no hydrogen 2.928 N/A THR 222.A N GLY 215.A O no hydrogen 2.957 N/A ALA 223.A N THR 222.A OG1 no hydrogen 2.835 N/A VAL 226.A N GLY 213.A O no hydrogen 2.845 N/A ALA 230.A N GLN 197.A OE1 no hydrogen 2.638 N/A LYS 231.A N ASN 194.A OD1 no hydrogen 2.759 N/A ASN 232.A ND2 ARG 190.A O no hydrogen 3.182 N/A ASN 232.A ND2 TYR 229.A O no hydrogen 2.831 N/A ALA 234.A N ASN 232.A OD1 no hydrogen 2.895 N/A MET 238.A N VAL 187.A O no hydrogen 2.811 N/A LYS 239.A N HIS 242.A ND1 no hydrogen 3.210 N/A LYS 239.A NZ VAL 237.A O no hydrogen 3.395 N/A SER 240.A OG ASP 285.A OD1 no hydrogen 2.987 N/A GLY 241.A N VAL 283.A O no hydrogen 2.821 N/A HIS 242.A N LYS 239.A O no hydrogen 2.988 N/A HIS 242.A ND1 TYR 189.A OH no hydrogen 2.826 N/A PHE 244.A N LEU 281.A O no hydrogen 3.086 N/A THR 245.A N HIS 214.A O no hydrogen 2.822 N/A THR 245.A OG1 GLU 247.A OE1 no hydrogen 2.912 N/A THR 245.A OG1 GLU 278.A OE2 no hydrogen 3.560 N/A ILE 246.A N HIS 279.A O no hydrogen 3.347 N/A ILE 250.A N ALA 275.A O no hydrogen 2.929 N/A CYS 251.A N SER 206.A O no hydrogen 2.839 N/A CYS 251.A SG SER 274.A OG no hydrogen 3.710 N/A GLU 252.A N ARG 273.A O no hydrogen 2.844 N/A GLY 254.A N ASP 270.A OD2 no hydrogen 2.886 N/A GLN 256.A N GLN 256.A OE1 no hydrogen 2.789 N/A GLU 258.A N VAL 267.A O no hydrogen 2.930 N/A TRP 260.A N THR 265.A O no hydrogen 2.849 N/A GLY 263.A N TRP 260.A O no hydrogen 2.958 N/A TRP 264.A N ASP 262.A OD1 no hydrogen 2.750 N/A THR 265.A N ASP 262.A OD1 no hydrogen 2.860 N/A THR 265.A OG1 ASP 262.A OD1 no hydrogen 3.418 N/A THR 265.A OG1 ASP 262.A OD2 no hydrogen 2.685 N/A ALA 266.A N CYS 122.A O no hydrogen 3.149 N/A VAL 267.A N GLU 258.A O no hydrogen 2.812 N/A THR 268.A N GLU 119.A O no hydrogen 3.007 N/A THR 268.A OG1 ASP 270.A OD1 no hydrogen 3.559 N/A THR 268.A OG1 LYS 272.A O no hydrogen 2.679 N/A ARG 269.A N GLN 256.A O no hydrogen 2.915 N/A ARG 269.A NE GLU 258.A OE1 no hydrogen 2.925 N/A GLY 271.A N THR 268.A O no hydrogen 3.224 N/A LYS 272.A N ASP 270.A OD1 no hydrogen 3.120 N/A ARG 273.A N GLU 252.A OE1 no hydrogen 3.090 N/A ARG 273.A NE GLU 252.A OE1 no hydrogen 3.123 N/A ARG 273.A NE GLU 252.A OE2 no hydrogen 3.111 N/A ARG 273.A NH1 ASP 162.A OD1 no hydrogen 3.356 N/A ARG 273.A NH1 ASP 162.A OD2 no hydrogen 3.508 N/A ARG 273.A NH2 ASP 162.A OD1 no hydrogen 2.943 N/A ARG 273.A NH2 ASP 162.A OD2 no hydrogen 3.570 N/A ARG 273.A NH2 GLU 252.A OE2 no hydrogen 2.550 N/A SER 274.A N ASN 118.A O no hydrogen 3.075 N/A SER 274.A OG ILE 250.A O no hydrogen 3.018 N/A ALA 275.A N ILE 250.A O no hydrogen 2.965 N/A GLN 276.A N THR 155.A OG1 no hydrogen 3.016 N/A GLN 276.A NE2 GLU 247.A O no hydrogen 2.874 N/A GLN 276.A NE2 GLU 247.A OE2 no hydrogen 3.195 N/A GLU 278.A N ASN 153.A O no hydrogen 3.063 N/A HIS 279.A N ILE 246.A O no hydrogen 3.319 N/A HIS 279.A ND1 THR 292.A OG1 no hydrogen 2.815 N/A THR 280.A N THR 292.A OG1 no hydrogen 2.974 N/A THR 280.A OG1 ASP 151.A O no hydrogen 2.667 N/A LEU 281.A N PHE 244.A O no hydrogen 2.784 N/A LEU 282.A N GLU 289.A O no hydrogen 2.979 N/A VAL 283.A N HIS 242.A O no hydrogen 2.846 N/A THR 284.A N GLY 287.A O no hydrogen 2.796 N/A GLY 287.A N THR 284.A O no hydrogen 3.419 N/A GLY 287.A N THR 284.A OG1 no hydrogen 3.155 N/A CYS 288.A SG ILE 180.A O no hydrogen 4.038 N/A GLU 289.A N LEU 282.A O no hydrogen 2.845 N/A LEU 291.A N THR 280.A O no hydrogen 2.983 N/A THR 292.A OG1 HIS 279.A ND1 no hydrogen 2.815 N/A ARG 293.A N ILE 290.A O no hydrogen 3.291 N/A ARG 293.A NH1 ILE 290.A O no hydrogen 3.121 N/A ARG 294.A NE ASP 296.A OD1 no hydrogen 3.472 N/A ARG 294.A NH1 ARG 299.A O no hydrogen 2.882 N/A ASP 296.A N ASP 296.A OD1 no hydrogen 2.675 N/A SER 297.A OG ARG 299.A O no hydrogen 3.413 N/A ARG 299.A N SER 297.A OG no hydrogen 3.124 N/A HIS 301.A N GLU 154.A OE1 no hydrogen 3.067 N/A HIS 301.A NE2 ASP 71.A OD1 no hydrogen 2.744 N/A MET 303.A N PRO 300.A O no hydrogen 3.198 N/A SER 304.A N HIS 301.A O no hydrogen 2.856 N/A SER 304.A OG PRO 300.A O no hydrogen 2.845 N/A