Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k9r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N LEU 2.A O no hydrogen 2.720 N/A LEU 11.A N PRO 8.A O no hydrogen 3.056 N/A CYS 12.A SG PRO 8.A O no hydrogen 3.766 N/A ILE 15.A N LEU 11.A O no hydrogen 2.771 N/A LEU 17.A N GLU 14.A O no hydrogen 3.016 N/A PHE 20.A N LEU 17.A O no hydrogen 3.127 N/A PHE 25.A N ILE 22.A O no hydrogen 2.887 N/A MET 28.A N PHE 25.A O no hydrogen 3.018 N/A TRP 29.A N GLU 26.A O no hydrogen 2.984 N/A TRP 29.A NE1 ILE 22.A O no hydrogen 2.779 N/A ILE 32.A N MET 28.A O no hydrogen 2.800 N/A PHE 33.A N TRP 29.A O no hydrogen 3.181 N/A VAL 34.A N PRO 30.A O no hydrogen 3.026 N/A TYR 35.A N GLY 31.A O no hydrogen 2.690 N/A MET 36.A N ILE 32.A O no hydrogen 2.609 N/A VAL 37.A N PHE 33.A O no hydrogen 3.276 N/A HIS 38.A N VAL 34.A O no hydrogen 3.108 N/A ARG 39.A N TYR 35.A O no hydrogen 3.057 N/A SER 40.A N VAL 37.A O no hydrogen 3.219 N/A CYS 41.A N VAL 37.A O no hydrogen 2.805 N/A CYS 45.A SG CYS 41.A O no hydrogen 2.768 N/A GLU 49.A N GLU 49.A OE2 no hydrogen 2.996 N/A LYS 50.A N GLU 47.A O no hydrogen 2.902 N/A LEU 51.A N GLU 47.A O no hydrogen 3.002 N/A CYS 52.A N LEU 48.A O no hydrogen 3.075 N/A CYS 52.A SG LEU 48.A O no hydrogen 3.244 N/A ARG 53.A N GLU 49.A O no hydrogen 3.179 N/A ARG 53.A NH1 GLY 150.A O no hydrogen 3.352 N/A PHE 54.A N LYS 50.A O no hydrogen 3.120 N/A ILE 55.A N LEU 51.A O no hydrogen 2.936 N/A MET 56.A N CYS 52.A O no hydrogen 3.253 N/A SER 57.A N ARG 53.A O no hydrogen 3.335 N/A SER 57.A OG ARG 53.A O no hydrogen 3.096 N/A SER 57.A OG HIS 151.A NE2 no hydrogen 2.675 N/A VAL 58.A N PHE 54.A O no hydrogen 2.930 N/A LYS 59.A N ILE 55.A O no hydrogen 2.750 N/A LYS 60.A N MET 56.A O no hydrogen 3.020 N/A ASN 61.A N SER 57.A O no hydrogen 3.195 N/A ASN 61.A ND2 SER 57.A O no hydrogen 2.683 N/A TYR 62.A N LYS 59.A O no hydrogen 3.087 N/A TYR 62.A OH LEU 104.A O no hydrogen 2.600 N/A ARG 63.A NE ASP 109.A OD1 no hydrogen 2.728 N/A ARG 63.A NH2 ASP 109.A OD1 no hydrogen 3.096 N/A ARG 63.A NH2 ASP 109.A OD2 no hydrogen 3.292 N/A TYR 67.A N GLU 238.A OE1 no hydrogen 2.379 N/A HIS 68.A N GLU 238.A OE1 no hydrogen 3.141 N/A HIS 68.A N GLU 238.A OE2 no hydrogen 3.440 N/A HIS 68.A ND1 GLU 238.A OE2 no hydrogen 2.353 N/A ASN 69.A N TYR 67.A O no hydrogen 2.936 N/A ASN 69.A ND2 VAL 65.A O no hydrogen 2.586 N/A ALA 73.A N ASN 69.A O no hydrogen 3.191 N/A VAL 74.A N TRP 70.A O no hydrogen 3.220 N/A THR 75.A N LYS 71.A O no hydrogen 3.106 N/A THR 75.A OG1 LYS 71.A O no hydrogen 3.224 N/A VAL 76.A N HIS 72.A O no hydrogen 3.235 N/A ALA 77.A N ALA 73.A O no hydrogen 2.951 N/A HIS 78.A N VAL 74.A O no hydrogen 2.781 N/A HIS 78.A NE2 ILE 15.A O no hydrogen 2.697 N/A CYS 79.A N THR 75.A O no hydrogen 3.299 N/A CYS 79.A N VAL 76.A O no hydrogen 2.841 N/A MET 80.A N VAL 76.A O no hydrogen 3.134 N/A TYR 81.A N ALA 77.A O no hydrogen 2.923 N/A TYR 81.A OH GLU 16.A OE2 no hydrogen 2.474 N/A ALA 82.A N HIS 78.A O no hydrogen 2.928 N/A ILE 83.A N CYS 79.A O no hydrogen 2.679 N/A LEU 84.A N MET 80.A O no hydrogen 2.750 N/A GLN 85.A N TYR 81.A O no hydrogen 2.846 N/A GLN 85.A NE2 GLU 16.A OE1 no hydrogen 2.983 N/A ASN 86.A N ALA 82.A O no hydrogen 3.171 N/A ASN 86.A N ILE 83.A O no hydrogen 3.083 N/A ASN 86.A ND2 ALA 82.A O no hydrogen 2.711 N/A ASN 87.A N LEU 84.A O no hydrogen 3.382 N/A ASN 87.A ND2 ILE 83.A O no hydrogen 3.429 N/A LEU 90.A N ASN 87.A O no hydrogen 3.075 N/A THR 92.A N GLU 95.A OE1 no hydrogen 3.269 N/A GLU 95.A N THR 92.A OG1 no hydrogen 2.990 N/A ARG 96.A N THR 92.A O no hydrogen 3.028 N/A LYS 97.A N ASP 93.A O no hydrogen 3.421 N/A GLY 98.A N LEU 94.A O no hydrogen 3.229 N/A LEU 99.A N GLU 95.A O no hydrogen 2.906 N/A LEU 100.A N ARG 96.A O no hydrogen 3.312 N/A ILE 101.A N LYS 97.A O no hydrogen 3.215 N/A ALA 102.A N GLY 98.A O no hydrogen 2.648 N/A CYS 103.A N LEU 99.A O no hydrogen 3.473 N/A CYS 103.A SG LEU 99.A O no hydrogen 3.223 N/A CYS 105.A N ILE 101.A O no hydrogen 3.097 N/A CYS 105.A SG ILE 101.A O no hydrogen 3.334 N/A HIS 106.A N CYS 103.A O no hydrogen 3.032 N/A HIS 106.A ND1 CYS 103.A O no hydrogen 2.614 N/A ASP 107.A N TYR 62.A OH no hydrogen 3.334 N/A ASP 109.A N ASN 61.A O no hydrogen 2.714 N/A GLY 112.A N HIS 110.A ND1 no hydrogen 2.893 N/A SER 114.A N GLU 242.A OE1 no hydrogen 2.859 N/A SER 114.A OG GLU 242.A OE1 no hydrogen 3.135 N/A SER 114.A OG GLU 242.A OE2 no hydrogen 2.658 N/A ASN 115.A ND2 GLU 135.A OE2 no hydrogen 2.769 N/A TYR 117.A N SER 114.A OG no hydrogen 3.343 N/A LEU 118.A N SER 114.A O no hydrogen 3.102 N/A GLN 119.A N ASN 115.A O no hydrogen 2.799 N/A GLN 119.A NE2 THR 133.A OG1 no hydrogen 2.745 N/A LYS 120.A N SER 116.A O no hydrogen 2.725 N/A PHE 121.A N TYR 117.A O no hydrogen 3.018 N/A ASP 122.A N GLN 119.A O no hydrogen 3.380 N/A HIS 123.A N LEU 118.A O no hydrogen 2.802 N/A ALA 127.A N HIS 123.A O no hydrogen 2.976 N/A LEU 128.A N PRO 124.A O no hydrogen 3.141 N/A TYR 129.A N LEU 125.A O no hydrogen 2.827 N/A SER 132.A OG ASP 177.A OD2 no hydrogen 2.795 N/A THR 133.A OG1 TYR 129.A O no hydrogen 2.664 N/A MET 134.A N ASN 115.A OD1 no hydrogen 2.754 N/A GLN 136.A N SER 132.A O no hydrogen 2.857 N/A HIS 137.A N THR 133.A O no hydrogen 3.199 N/A HIS 137.A NE2 ASP 109.A OD2 no hydrogen 3.214 N/A HIS 138.A N MET 134.A O no hydrogen 2.957 N/A HIS 138.A ND1 LEU 108.A O no hydrogen 3.048 N/A PHE 139.A N GLU 135.A O no hydrogen 3.305 N/A SER 140.A N GLN 136.A O no hydrogen 2.909 N/A SER 140.A OG TYR 129.A OH no hydrogen 3.050 N/A GLN 141.A N HIS 137.A O no hydrogen 2.858 N/A THR 142.A N HIS 138.A O no hydrogen 3.402 N/A THR 142.A OG1 HIS 138.A O no hydrogen 3.284 N/A VAL 143.A N PHE 139.A O no hydrogen 3.144 N/A SER 144.A N SER 140.A O no hydrogen 3.255 N/A ILE 145.A N GLN 141.A O no hydrogen 2.986 N/A LEU 146.A N THR 142.A O no hydrogen 2.970 N/A GLN 147.A N VAL 143.A O no hydrogen 2.866 N/A LEU 148.A N ILE 145.A O no hydrogen 3.423 N/A HIS 151.A N LEU 148.A O no hydrogen 2.919 N/A HIS 151.A ND1 GLU 149.A O no hydrogen 2.872 N/A HIS 151.A NE2 SER 57.A OG no hydrogen 2.675 N/A SER 155.A N ASN 152.A O no hydrogen 3.160 N/A SER 155.A OG ASN 152.A O no hydrogen 2.930 N/A LEU 157.A N PHE 154.A O no hydrogen 2.619 N/A SER 160.A OG GLN 164.A OE1 no hydrogen 3.162 N/A GLU 161.A N SER 158.A OG no hydrogen 2.946 N/A TYR 162.A N SER 158.A O no hydrogen 2.716 N/A GLU 163.A N SER 159.A O no hydrogen 3.326 N/A GLN 164.A N SER 160.A O no hydrogen 3.091 N/A VAL 165.A N GLU 161.A O no hydrogen 3.067 N/A LEU 166.A N TYR 162.A O no hydrogen 3.208 N/A GLU 167.A N GLU 163.A O no hydrogen 3.206 N/A ILE 168.A N GLN 164.A O no hydrogen 3.102 N/A ILE 169.A N VAL 165.A O no hydrogen 3.110 N/A ARG 170.A N LEU 166.A O no hydrogen 2.722 N/A ARG 170.A NE GLU 167.A OE1 no hydrogen 2.878 N/A ARG 170.A NH2 GLU 167.A OE1 no hydrogen 3.028 N/A ARG 170.A NH2 GLU 167.A OE2 no hydrogen 3.026 N/A LYS 171.A N GLU 167.A O no hydrogen 2.767 N/A LYS 171.A NZ ASP 206.A OD1 no hydrogen 2.994 N/A LYS 171.A NZ ASP 206.A OD2 no hydrogen 2.679 N/A ALA 172.A N ILE 168.A O no hydrogen 2.987 N/A ILE 173.A N ILE 169.A O no hydrogen 3.002 N/A ILE 174.A N ARG 170.A O no hydrogen 3.175 N/A ALA 175.A N LYS 171.A O no hydrogen 3.115 N/A THR 176.A OG1 ILE 173.A O no hydrogen 2.589 N/A ASP 177.A N ILE 174.A O no hydrogen 2.945 N/A ALA 179.A N ASP 177.A OD1 no hydrogen 3.288 N/A LEU 180.A N ASP 177.A O no hydrogen 2.775 N/A TYR 181.A N LEU 178.A O no hydrogen 2.839 N/A ASN 184.A N LEU 180.A O no hydrogen 3.004 N/A ASN 184.A ND2 ARG 207.A O no hydrogen 3.239 N/A ARG 185.A N TYR 181.A O no hydrogen 2.700 N/A ARG 185.A NH1 GLU 189.A OE1 no hydrogen 3.513 N/A LYS 186.A N PHE 182.A O no hydrogen 2.879 N/A GLN 187.A N GLY 183.A O no hydrogen 2.948 N/A LEU 188.A N ASN 184.A O no hydrogen 2.957 N/A GLU 189.A N ARG 185.A O no hydrogen 2.658 N/A GLU 190.A N LYS 186.A O no hydrogen 3.211 N/A MET 191.A N GLN 187.A O no hydrogen 3.076 N/A TYR 192.A N LEU 188.A O no hydrogen 3.094 N/A THR 194.A N GLU 190.A O no hydrogen 2.754 N/A THR 194.A OG1 GLU 190.A O no hydrogen 2.452 N/A SER 196.A N MET 191.A O no hydrogen 2.761 N/A SER 196.A OG MET 191.A O no hydrogen 3.399 N/A LEU 197.A N MET 191.A O no hydrogen 3.260 N/A ASN 200.A N ASN 198.A OD1 no hydrogen 3.263 N/A ASN 201.A N ASN 198.A O no hydrogen 2.874 N/A SER 203.A N ASN 201.A OD1 no hydrogen 3.088 N/A SER 203.A OG ASN 201.A OD1 no hydrogen 2.653 N/A HIS 204.A N ASN 201.A OD1 no hydrogen 3.368 N/A ARG 205.A N ASN 201.A O no hydrogen 2.768 N/A ARG 205.A NE GLU 95.A OE1 no hydrogen 3.294 N/A ARG 205.A NE GLU 95.A OE2 no hydrogen 3.261 N/A ARG 205.A NH1 LEU 90.A O no hydrogen 2.757 N/A ARG 205.A NH1 GLU 95.A OE1 no hydrogen 3.119 N/A ARG 205.A NH2 LEU 199.A O no hydrogen 3.377 N/A ASP 206.A N GLN 202.A O no hydrogen 3.179 N/A VAL 208.A N HIS 204.A O no hydrogen 3.371 N/A ILE 209.A N ARG 205.A O no hydrogen 3.172 N/A SER 210.A N ASP 206.A O no hydrogen 2.864 N/A LEU 211.A N ARG 207.A O no hydrogen 2.938 N/A MET 212.A N VAL 208.A O no hydrogen 3.001 N/A MET 213.A N ILE 209.A O no hydrogen 2.944 N/A THR 214.A N SER 210.A O no hydrogen 3.086 N/A THR 214.A OG1 SER 210.A O no hydrogen 3.317 N/A ALA 215.A N LEU 211.A O no hydrogen 2.888 N/A ALA 215.A N MET 212.A O no hydrogen 2.802 N/A CYS 216.A N MET 212.A O no hydrogen 2.943 N/A CYS 216.A SG MET 212.A O no hydrogen 3.659 N/A ASP 217.A N MET 213.A O no hydrogen 2.676 N/A LEU 218.A N THR 214.A O no hydrogen 3.274 N/A CYS 219.A N CYS 216.A O no hydrogen 3.099 N/A CYS 219.A SG THR 75.A O no hydrogen 3.908 N/A CYS 219.A SG CYS 216.A O no hydrogen 3.235 N/A VAL 221.A N LEU 218.A O no hydrogen 3.135 N/A THR 222.A N CYS 219.A O no hydrogen 2.997 N/A THR 222.A OG1 CYS 219.A O no hydrogen 2.566 N/A LYS 223.A NZ PHE 18.A O no hydrogen 3.499 N/A LYS 223.A NZ PHE 20.A O no hydrogen 2.518 N/A VAL 227.A N LEU 224.A O no hydrogen 2.840 N/A THR 228.A N LEU 224.A O no hydrogen 3.055 N/A THR 228.A OG1 SER 220.A O no hydrogen 2.587 N/A LYS 229.A N TRP 225.A O no hydrogen 2.685 N/A THR 231.A N VAL 227.A O no hydrogen 2.892 N/A THR 231.A OG1 VAL 227.A O no hydrogen 3.400 N/A ALA 232.A N THR 228.A O no hydrogen 3.009 N/A ILE 235.A N THR 231.A O no hydrogen 3.328 N/A TYR 236.A N ALA 232.A O no hydrogen 3.282 N/A ALA 237.A N ASN 233.A O no hydrogen 2.931 N/A PHE 239.A N ILE 235.A O no hydrogen 2.889 N/A TRP 240.A N TYR 236.A O no hydrogen 2.723 N/A ALA 241.A N ALA 237.A O no hydrogen 2.890 N/A GLU 242.A N GLU 238.A O no hydrogen 2.998 N/A GLY 243.A N PHE 239.A O no hydrogen 3.083 N/A ASP 244.A N TRP 240.A O no hydrogen 2.885 N/A GLU 245.A N ALA 241.A O no hydrogen 3.422 N/A MET 246.A N GLU 242.A O no hydrogen 3.228 N/A LYS 247.A N GLY 243.A O no hydrogen 2.915 N/A LYS 247.A NZ ASP 258.A OD2 no hydrogen 3.063 N/A LYS 248.A N ASP 244.A O no hydrogen 3.046 N/A LYS 248.A NZ GLU 245.A OE2 no hydrogen 2.705 N/A LEU 249.A N GLU 245.A O no hydrogen 3.131 N/A LEU 249.A N MET 246.A O no hydrogen 2.913 N/A GLY 250.A N LYS 247.A O no hydrogen 3.037 N/A ILE 251.A N MET 246.A O no hydrogen 3.052 N/A MET 257.A N ILE 254.A O no hydrogen 2.731 N/A ASP 258.A N PRO 255.A O no hydrogen 3.400 N/A ARG 259.A NE ASP 244.A OD1 no hydrogen 3.521 N/A ARG 259.A NE ASP 244.A OD2 no hydrogen 3.252 N/A ARG 259.A NH2 ASP 244.A OD2 no hydrogen 3.083 N/A ASP 260.A N ASP 258.A OD2 no hydrogen 3.088 N/A LYS 261.A N ASP 258.A O no hydrogen 2.861 N/A LYS 261.A NZ ASP 258.A OD1 no hydrogen 2.977 N/A GLU 264.A N LYS 261.A O no hydrogen 3.321 N/A VAL 265.A N LYS 262.A O no hydrogen 3.100 N/A GLY 268.A N GLU 264.A O no hydrogen 2.877 N/A GLN 269.A N VAL 265.A O no hydrogen 2.854 N/A GLN 269.A NE2 TYR 236.A OH no hydrogen 3.560 N/A LEU 270.A N PRO 266.A O no hydrogen 2.703 N/A GLY 271.A N GLN 267.A O no hydrogen 3.182 N/A PHE 272.A N GLY 268.A O no hydrogen 2.667 N/A PHE 272.A N GLN 269.A O no hydrogen 3.133 N/A TYR 273.A N GLN 269.A O no hydrogen 3.023 N/A ASN 274.A N LEU 270.A O no hydrogen 3.376 N/A ALA 275.A N GLY 271.A O no hydrogen 3.080 N/A VAL 276.A N PHE 272.A O no hydrogen 2.879 N/A ALA 277.A N PHE 272.A O no hydrogen 3.252 N/A ILE 278.A N TYR 273.A O no hydrogen 2.683 N/A CYS 280.A N VAL 276.A O no hydrogen 3.090 N/A TYR 281.A N ALA 277.A O no hydrogen 2.938 N/A TYR 281.A OH ALA 215.A O no hydrogen 2.547 N/A THR 282.A N ILE 278.A O no hydrogen 2.857 N/A THR 282.A N PRO 279.A O no hydrogen 3.238 N/A THR 282.A OG1 ILE 278.A O no hydrogen 2.670 N/A THR 283.A N PRO 279.A O no hydrogen 3.050 N/A THR 283.A OG1 GLU 189.A OE1 no hydrogen 2.978 N/A LEU 284.A N CYS 280.A O no hydrogen 2.942 N/A THR 285.A N TYR 281.A O no hydrogen 3.342 N/A THR 285.A OG1 TYR 281.A O no hydrogen 3.106 N/A GLN 286.A N THR 282.A O no hydrogen 2.898 N/A ILE 287.A N THR 283.A O no hydrogen 3.335 N/A LEU 288.A N LEU 284.A O no hydrogen 2.470 N/A THR 291.A N LEU 288.A O no hydrogen 2.942 N/A THR 291.A OG1 LEU 288.A O no hydrogen 2.846 N/A LYS 296.A N GLU 292.A O no hydrogen 3.208 N/A LYS 296.A NZ ASP 300.A OD1 no hydrogen 3.259 N/A LYS 296.A NZ ASP 300.A OD2 no hydrogen 2.926 N/A ALA 297.A N PRO 293.A O no hydrogen 2.948 N/A CYS 298.A N LEU 294.A O no hydrogen 2.814 N/A ARG 299.A N LEU 295.A O no hydrogen 2.932 N/A ASP 300.A N LYS 296.A O no hydrogen 3.067 N/A ASN 301.A N ALA 297.A O no hydrogen 3.138 N/A ASN 301.A ND2 VAL 221.A O no hydrogen 2.601 N/A ASN 301.A ND2 LYS 223.A O no hydrogen 2.987 N/A LEU 302.A N CYS 298.A O no hydrogen 2.997 N/A SER 303.A N ARG 299.A O no hydrogen 3.066 N/A SER 303.A OG ASP 300.A O no hydrogen 2.882 N/A GLN 304.A N ASP 300.A O no hydrogen 3.263 N/A TRP 305.A N ASN 301.A O no hydrogen 3.111 N/A GLU 306.A N LEU 302.A O no hydrogen 2.969 N/A LYS 307.A N SER 303.A O no hydrogen 2.810 N/A VAL 308.A N GLN 304.A O no hydrogen 3.303 N/A ILE 309.A N TRP 305.A O no hydrogen 2.796 N/A ARG 310.A N GLU 306.A O no hydrogen 3.043 N/A ARG 310.A NE GLU 312.A OE2 no hydrogen 3.305 N/A ARG 310.A NH1 GLU 306.A OE1 no hydrogen 3.239 N/A ARG 310.A NH2 GLU 306.A OE1 no hydrogen 3.283 N/A GLY 311.A N VAL 308.A O no hydrogen 2.980 N/A