Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ui7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N GLN 2.A O no hydrogen 3.309 N/A LEU 13.A N PRO 10.A O no hydrogen 2.867 N/A CYS 14.A N PRO 10.A O no hydrogen 3.365 N/A CYS 14.A SG PRO 10.A O no hydrogen 3.831 N/A CYS 14.A SG TYR 37.A OH no hydrogen 3.709 N/A ILE 17.A N LEU 13.A O no hydrogen 2.760 N/A LEU 19.A N GLU 16.A O no hydrogen 3.218 N/A GLY 25.A N ASP 23.A OD1 no hydrogen 3.221 N/A PHE 27.A N ILE 24.A O no hydrogen 2.963 N/A MET 30.A N PHE 27.A O no hydrogen 2.729 N/A TRP 31.A N GLU 28.A O no hydrogen 3.422 N/A TRP 31.A NE1 ILE 24.A O no hydrogen 2.738 N/A ILE 34.A N MET 30.A O no hydrogen 2.710 N/A PHE 35.A N TRP 31.A O no hydrogen 3.121 N/A VAL 36.A N PRO 32.A O no hydrogen 3.214 N/A TYR 37.A N GLY 33.A O no hydrogen 3.184 N/A MET 38.A N ILE 34.A O no hydrogen 3.114 N/A VAL 39.A N PHE 35.A O no hydrogen 3.080 N/A HIS 40.A N VAL 36.A O no hydrogen 2.930 N/A ARG 41.A N TYR 37.A O no hydrogen 2.900 N/A SER 42.A N MET 38.A O no hydrogen 3.082 N/A CYS 43.A N VAL 39.A O no hydrogen 2.927 N/A GLY 44.A N VAL 39.A O no hydrogen 3.473 N/A CYS 47.A N GLY 44.A O no hydrogen 3.325 N/A LEU 53.A N GLU 49.A O no hydrogen 2.981 N/A CYS 54.A N LEU 50.A O no hydrogen 2.860 N/A CYS 54.A SG LEU 50.A O no hydrogen 3.320 N/A ARG 55.A N GLU 51.A O no hydrogen 2.992 N/A ARG 55.A NH1 GLY 152.A O no hydrogen 2.993 N/A PHE 56.A N LYS 52.A O no hydrogen 2.840 N/A ILE 57.A N LEU 53.A O no hydrogen 2.997 N/A MET 58.A N CYS 54.A O no hydrogen 3.411 N/A SER 59.A N ARG 55.A O no hydrogen 3.169 N/A SER 59.A OG ARG 55.A O no hydrogen 3.239 N/A SER 59.A OG HIS 153.A NE2 no hydrogen 2.749 N/A VAL 60.A N PHE 56.A O no hydrogen 2.931 N/A LYS 61.A N ILE 57.A O no hydrogen 3.030 N/A LYS 62.A N MET 58.A O no hydrogen 3.163 N/A ASN 63.A N SER 59.A O no hydrogen 3.187 N/A ASN 63.A N VAL 60.A O no hydrogen 3.047 N/A TYR 64.A N LYS 61.A O no hydrogen 3.357 N/A TYR 64.A OH LEU 106.A O no hydrogen 2.773 N/A TYR 69.A N GLU 240.A OE1 no hydrogen 2.970 N/A HIS 70.A N GLU 240.A OE1 no hydrogen 2.939 N/A HIS 70.A ND1 GLU 240.A OE2 no hydrogen 2.662 N/A ASN 71.A N TYR 69.A O no hydrogen 2.746 N/A ASN 71.A ND2 VAL 67.A O no hydrogen 2.815 N/A ASN 71.A ND2 PRO 68.A O no hydrogen 3.040 N/A HIS 74.A N ASN 71.A OD1 no hydrogen 3.389 N/A HIS 74.A NE2 ASP 219.A OD1 no hydrogen 2.974 N/A ALA 75.A N ASN 71.A O no hydrogen 3.357 N/A VAL 76.A N TRP 72.A O no hydrogen 3.282 N/A THR 77.A N LYS 73.A O no hydrogen 3.040 N/A THR 77.A OG1 LYS 73.A O no hydrogen 2.764 N/A VAL 78.A N HIS 74.A O no hydrogen 2.986 N/A ALA 79.A N ALA 75.A O no hydrogen 3.039 N/A HIS 80.A N VAL 76.A O no hydrogen 2.896 N/A HIS 80.A NE2 ILE 17.A O no hydrogen 2.824 N/A CYS 81.A N THR 77.A O no hydrogen 3.250 N/A MET 82.A N VAL 78.A O no hydrogen 3.256 N/A TYR 83.A N ALA 79.A O no hydrogen 3.071 N/A TYR 83.A OH GLU 18.A OE1 no hydrogen 3.128 N/A TYR 83.A OH GLU 18.A OE2 no hydrogen 2.666 N/A ALA 84.A N HIS 80.A O no hydrogen 3.107 N/A ILE 85.A N CYS 81.A O no hydrogen 3.046 N/A LEU 86.A N MET 82.A O no hydrogen 2.772 N/A GLN 87.A N TYR 83.A O no hydrogen 2.706 N/A GLN 87.A NE2 GLU 18.A OE1 no hydrogen 2.929 N/A ASN 88.A N ALA 84.A O no hydrogen 3.236 N/A ASN 88.A ND2 ALA 84.A O no hydrogen 2.874 N/A ASN 89.A N LEU 86.A O no hydrogen 3.251 N/A ASN 89.A ND2 ILE 85.A O no hydrogen 2.887 N/A HIS 90.A NE2 SER 42.A O no hydrogen 3.014 N/A LEU 92.A N ASN 89.A O no hydrogen 3.232 N/A PHE 93.A N HIS 90.A O no hydrogen 3.460 N/A THR 94.A N GLU 97.A OE1 no hydrogen 3.187 N/A GLU 97.A N THR 94.A OG1 no hydrogen 3.361 N/A ARG 98.A N THR 94.A O no hydrogen 2.970 N/A ARG 98.A NE SER 42.A O no hydrogen 3.118 N/A ARG 98.A NH1 PHE 93.A O no hydrogen 3.040 N/A ARG 98.A NH2 SER 42.A O no hydrogen 3.358 N/A ARG 98.A NH2 ASP 95.A OD1 no hydrogen 2.658 N/A LYS 99.A N ASP 95.A O no hydrogen 3.045 N/A GLY 100.A N LEU 96.A O no hydrogen 3.120 N/A LEU 101.A N GLU 97.A O no hydrogen 2.745 N/A LEU 102.A N ARG 98.A O no hydrogen 3.226 N/A ILE 103.A N LYS 99.A O no hydrogen 3.122 N/A ALA 104.A N GLY 100.A O no hydrogen 2.759 N/A CYS 105.A N LEU 101.A O no hydrogen 3.078 N/A CYS 105.A SG LEU 101.A O no hydrogen 3.193 N/A LEU 106.A N LEU 102.A O no hydrogen 3.165 N/A CYS 107.A N ILE 103.A O no hydrogen 3.041 N/A CYS 107.A N ALA 104.A O no hydrogen 2.994 N/A CYS 107.A SG ILE 103.A O no hydrogen 3.325 N/A HIS 108.A ND1 CYS 105.A O no hydrogen 2.860 N/A HIS 108.A NE2 ASP 219.A OD1 no hydrogen 2.812 N/A ASP 109.A N TYR 64.A OH no hydrogen 3.139 N/A LEU 110.A N CYS 107.A O no hydrogen 3.138 N/A ASP 111.A N ASN 63.A O no hydrogen 3.106 N/A HIS 112.A N ASP 109.A O no hydrogen 3.140 N/A ARG 113.A NE ASP 111.A O no hydrogen 3.096 N/A ARG 113.A NE ASP 111.A OD2 no hydrogen 3.331 N/A ARG 113.A NH2 ASP 111.A OD2 no hydrogen 2.816 N/A GLY 114.A N HIS 112.A ND1 no hydrogen 2.914 N/A SER 116.A N GLU 244.A OE1 no hydrogen 2.843 N/A SER 116.A OG SER 118.A OG no hydrogen 2.731 N/A SER 116.A OG GLU 244.A OE1 no hydrogen 3.503 N/A SER 116.A OG GLU 244.A OE2 no hydrogen 2.634 N/A ASN 117.A ND2 GLU 137.A OE1 no hydrogen 2.879 N/A SER 118.A OG SER 116.A OG no hydrogen 2.731 N/A GLN 121.A N ASN 117.A O no hydrogen 3.145 N/A GLN 121.A NE2 THR 135.A OG1 no hydrogen 2.768 N/A LYS 122.A N TYR 119.A O no hydrogen 3.262 N/A PHE 123.A N TYR 119.A O no hydrogen 3.025 N/A HIS 125.A N LEU 120.A O no hydrogen 3.157 N/A LEU 127.A N HIS 125.A ND1 no hydrogen 3.492 N/A ALA 128.A N HIS 125.A O no hydrogen 2.706 N/A ALA 129.A N HIS 125.A O no hydrogen 3.451 N/A LEU 130.A N PRO 126.A O no hydrogen 2.844 N/A TYR 131.A N LEU 127.A O no hydrogen 2.709 N/A SER 134.A OG ASP 179.A OD2 no hydrogen 2.642 N/A THR 135.A OG1 TYR 131.A O no hydrogen 3.253 N/A MET 136.A N ASN 117.A OD1 no hydrogen 2.862 N/A GLN 138.A N SER 134.A O no hydrogen 2.960 N/A HIS 139.A N THR 135.A O no hydrogen 3.372 N/A HIS 139.A NE2 ASP 111.A OD2 no hydrogen 3.035 N/A HIS 140.A N MET 136.A O no hydrogen 2.816 N/A HIS 140.A ND1 LEU 110.A O no hydrogen 2.610 N/A PHE 141.A N GLU 137.A O no hydrogen 3.395 N/A SER 142.A N GLN 138.A O no hydrogen 3.180 N/A GLN 143.A N HIS 139.A O no hydrogen 2.953 N/A THR 144.A N HIS 140.A O no hydrogen 2.979 N/A THR 144.A OG1 HIS 140.A O no hydrogen 2.848 N/A VAL 145.A N PHE 141.A O no hydrogen 3.344 N/A SER 146.A N SER 142.A O no hydrogen 3.337 N/A SER 146.A OG SER 142.A O no hydrogen 2.895 N/A ILE 147.A N THR 144.A O no hydrogen 3.325 N/A LEU 148.A N THR 144.A O no hydrogen 3.194 N/A GLN 149.A N VAL 145.A O no hydrogen 2.912 N/A LEU 150.A N ILE 147.A O no hydrogen 3.256 N/A HIS 153.A N LEU 150.A O no hydrogen 3.212 N/A HIS 153.A ND1 GLU 151.A O no hydrogen 2.786 N/A HIS 153.A NE2 SER 59.A OG no hydrogen 2.749 N/A SER 157.A OG ASN 154.A O no hydrogen 3.358 N/A SER 157.A OG ASN 154.A OD1 no hydrogen 2.658 N/A LEU 159.A N PHE 156.A O no hydrogen 3.187 N/A SER 162.A OG GLN 166.A OE1 no hydrogen 3.347 N/A GLU 163.A N SER 160.A OG no hydrogen 3.350 N/A TYR 164.A N SER 160.A O no hydrogen 2.808 N/A GLU 165.A N SER 161.A O no hydrogen 3.034 N/A GLN 166.A N SER 162.A O no hydrogen 3.276 N/A VAL 167.A N GLU 163.A O no hydrogen 2.853 N/A LEU 168.A N TYR 164.A O no hydrogen 3.197 N/A GLU 169.A N GLU 165.A O no hydrogen 3.088 N/A GLU 169.A N GLN 166.A O no hydrogen 3.133 N/A ILE 170.A N GLN 166.A O no hydrogen 2.867 N/A ILE 171.A N VAL 167.A O no hydrogen 2.935 N/A ARG 172.A N LEU 168.A O no hydrogen 3.006 N/A ARG 172.A NE GLU 169.A OE1 no hydrogen 3.189 N/A ARG 172.A NE GLU 169.A OE2 no hydrogen 2.924 N/A ARG 172.A NH2 GLU 169.A OE2 no hydrogen 2.531 N/A LYS 173.A N GLU 169.A O no hydrogen 3.171 N/A LYS 173.A NZ ASP 208.A OD2 no hydrogen 2.983 N/A ALA 174.A N ILE 170.A O no hydrogen 2.968 N/A ILE 175.A N ILE 171.A O no hydrogen 2.882 N/A ILE 176.A N ARG 172.A O no hydrogen 2.945 N/A ALA 177.A N LYS 173.A O no hydrogen 3.016 N/A THR 178.A N ILE 175.A O no hydrogen 3.219 N/A THR 178.A OG1 ILE 175.A O no hydrogen 2.664 N/A ASP 179.A N ILE 176.A O no hydrogen 2.944 N/A LEU 182.A N ASP 179.A O no hydrogen 2.862 N/A TYR 183.A N LEU 180.A O no hydrogen 3.118 N/A ASN 186.A N LEU 182.A O no hydrogen 3.274 N/A ASN 186.A ND2 ARG 209.A O no hydrogen 3.041 N/A ARG 187.A N TYR 183.A O no hydrogen 2.851 N/A ARG 187.A NE PRO 281.A O no hydrogen 3.428 N/A ARG 187.A NE THR 285.A OG1 no hydrogen 3.256 N/A LYS 188.A N PHE 184.A O no hydrogen 3.323 N/A GLN 189.A N GLY 185.A O no hydrogen 3.235 N/A LEU 190.A N ASN 186.A O no hydrogen 3.246 N/A GLU 191.A N ARG 187.A O no hydrogen 2.924 N/A GLU 192.A N LYS 188.A O no hydrogen 3.087 N/A MET 193.A N GLN 189.A O no hydrogen 3.075 N/A TYR 194.A N LEU 190.A O no hydrogen 2.982 N/A GLN 195.A N GLU 191.A O no hydrogen 3.160 N/A THR 196.A N GLU 192.A O no hydrogen 3.239 N/A THR 196.A OG1 GLU 192.A O no hydrogen 2.762 N/A THR 196.A OG1 MET 193.A O no hydrogen 3.387 N/A THR 196.A OG1 SER 198.A OG no hydrogen 2.768 N/A GLY 197.A N MET 193.A O no hydrogen 3.195 N/A SER 198.A OG MET 193.A O no hydrogen 3.326 N/A SER 198.A OG THR 196.A OG1 no hydrogen 2.768 N/A LEU 199.A N MET 193.A O no hydrogen 3.117 N/A ASN 200.A N HIS 206.A ND1 no hydrogen 2.978 N/A ASN 200.A ND2 ASN 202.A OD1 no hydrogen 3.348 N/A ASN 203.A N ASN 200.A O no hydrogen 3.106 N/A GLN 204.A NE2 ASP 208.A OD1 no hydrogen 2.625 N/A SER 205.A N ASN 203.A OD1 no hydrogen 3.112 N/A ARG 207.A N ASN 203.A O no hydrogen 2.986 N/A ARG 207.A NE GLU 97.A OE2 no hydrogen 3.091 N/A ARG 207.A NH1 LEU 201.A O no hydrogen 2.983 N/A ARG 207.A NH2 LEU 92.A O no hydrogen 2.677 N/A ARG 207.A NH2 GLU 97.A OE1 no hydrogen 2.887 N/A ASP 208.A N GLN 204.A O no hydrogen 3.050 N/A ARG 209.A N SER 205.A O no hydrogen 3.376 N/A ARG 209.A NH1 ASN 186.A OD1 no hydrogen 3.491 N/A VAL 210.A N HIS 206.A O no hydrogen 3.075 N/A ILE 211.A N ARG 207.A O no hydrogen 2.911 N/A GLY 212.A N ASP 208.A O no hydrogen 2.862 N/A LEU 213.A N ARG 209.A O no hydrogen 3.073 N/A MET 214.A N VAL 210.A O no hydrogen 3.024 N/A MET 215.A N ILE 211.A O no hydrogen 2.929 N/A THR 216.A N GLY 212.A O no hydrogen 3.174 N/A THR 216.A OG1 GLY 212.A O no hydrogen 3.223 N/A ALA 217.A N LEU 213.A O no hydrogen 2.847 N/A CYS 218.A N MET 214.A O no hydrogen 2.954 N/A CYS 218.A SG MET 214.A O no hydrogen 3.328 N/A ASP 219.A N MET 215.A O no hydrogen 3.036 N/A LEU 220.A N THR 216.A O no hydrogen 3.031 N/A CYS 221.A N CYS 218.A O no hydrogen 3.204 N/A CYS 221.A SG THR 77.A O no hydrogen 3.731 N/A CYS 221.A SG CYS 218.A O no hydrogen 3.287 N/A VAL 223.A N LEU 220.A O no hydrogen 3.079 N/A THR 224.A N CYS 221.A O no hydrogen 2.696 N/A THR 224.A OG1 CYS 221.A O no hydrogen 2.639 N/A LYS 225.A NZ PHE 20.A O no hydrogen 3.386 N/A LYS 225.A NZ PHE 22.A O no hydrogen 2.950 N/A VAL 229.A N LEU 226.A O no hydrogen 2.942 N/A THR 230.A N LEU 226.A O no hydrogen 3.089 N/A THR 230.A OG1 SER 222.A O no hydrogen 2.876 N/A THR 230.A OG1 LYS 225.A O no hydrogen 3.404 N/A THR 230.A OG1 LEU 226.A O no hydrogen 3.483 N/A LYS 231.A N TRP 227.A O no hydrogen 2.996 N/A LYS 231.A NZ GLU 315.A OE2 no hydrogen 3.465 N/A LEU 232.A N PRO 228.A O no hydrogen 3.386 N/A THR 233.A N VAL 229.A O no hydrogen 3.021 N/A THR 233.A OG1 VAL 229.A O no hydrogen 3.072 N/A ALA 234.A N THR 230.A O no hydrogen 2.968 N/A ILE 237.A N THR 233.A O no hydrogen 3.050 N/A TYR 238.A N ALA 234.A O no hydrogen 3.194 N/A ALA 239.A N ASN 235.A O no hydrogen 2.957 N/A GLU 240.A N ASP 236.A O no hydrogen 3.407 N/A PHE 241.A N ILE 237.A O no hydrogen 3.101 N/A TRP 242.A N TYR 238.A O no hydrogen 2.690 N/A ALA 243.A N ALA 239.A O no hydrogen 3.252 N/A GLU 244.A N GLU 240.A O no hydrogen 3.154 N/A GLY 245.A N PHE 241.A O no hydrogen 3.036 N/A ASP 246.A N TRP 242.A O no hydrogen 2.799 N/A MET 248.A N GLU 244.A O no hydrogen 3.090 N/A LYS 249.A N GLY 245.A O no hydrogen 3.311 N/A LYS 249.A NZ ASP 260.A OD1 no hydrogen 2.942 N/A LYS 250.A NZ GLU 247.A OE2 no hydrogen 3.307 N/A LEU 251.A N GLU 247.A O no hydrogen 3.283 N/A ILE 253.A N MET 248.A O no hydrogen 3.136 N/A MET 259.A N ILE 256.A O no hydrogen 2.717 N/A ASP 260.A N PRO 257.A O no hydrogen 3.338 N/A ARG 261.A NE ASP 246.A OD1 no hydrogen 3.114 N/A ARG 261.A NE ASP 246.A OD2 no hydrogen 2.827 N/A ARG 261.A NH2 ASP 246.A OD2 no hydrogen 2.901 N/A ASP 262.A N ASP 260.A OD1 no hydrogen 3.144 N/A LYS 263.A N ASP 260.A O no hydrogen 2.801 N/A LYS 264.A NZ ARG 261.A O no hydrogen 2.775 N/A GLU 266.A N LYS 263.A O no hydrogen 3.057 N/A VAL 267.A N LYS 264.A O no hydrogen 3.475 N/A GLY 270.A N GLU 266.A O no hydrogen 2.830 N/A GLN 271.A N VAL 267.A O no hydrogen 2.880 N/A GLN 271.A NE2 TYR 238.A OH no hydrogen 3.219 N/A LEU 272.A N PRO 268.A O no hydrogen 2.968 N/A GLY 273.A N GLN 269.A O no hydrogen 2.964 N/A PHE 274.A N GLY 270.A O no hydrogen 3.093 N/A TYR 275.A N GLN 271.A O no hydrogen 2.858 N/A ASN 276.A N LEU 272.A O no hydrogen 2.979 N/A ALA 277.A N GLY 273.A O no hydrogen 2.879 N/A VAL 278.A N PHE 274.A O no hydrogen 2.765 N/A ALA 279.A N PHE 274.A O no hydrogen 3.102 N/A ILE 280.A N TYR 275.A O no hydrogen 2.873 N/A CYS 282.A N VAL 278.A O no hydrogen 3.142 N/A TYR 283.A N ALA 279.A O no hydrogen 3.215 N/A TYR 283.A OH ALA 217.A O no hydrogen 2.606 N/A THR 284.A N ILE 280.A O no hydrogen 2.923 N/A THR 284.A OG1 ILE 280.A O no hydrogen 2.703 N/A THR 285.A N PRO 281.A O no hydrogen 3.183 N/A THR 285.A OG1 GLU 191.A OE1 no hydrogen 3.025 N/A THR 285.A OG1 PRO 281.A O no hydrogen 3.031 N/A LEU 286.A N CYS 282.A O no hydrogen 3.174 N/A THR 287.A N TYR 283.A O no hydrogen 3.036 N/A THR 287.A OG1 TYR 283.A O no hydrogen 2.796 N/A GLN 288.A N THR 284.A O no hydrogen 3.220 N/A ILE 289.A N THR 285.A O no hydrogen 3.297 N/A LEU 290.A N LEU 286.A O no hydrogen 2.730 N/A THR 293.A N LEU 290.A O no hydrogen 3.011 N/A THR 293.A OG1 LEU 290.A O no hydrogen 2.611 N/A GLU 294.A N PRO 291.A O no hydrogen 3.087 N/A LEU 296.A N THR 293.A O no hydrogen 3.142 N/A LEU 297.A N GLU 294.A O no hydrogen 2.941 N/A LYS 298.A N GLU 294.A O no hydrogen 3.192 N/A LYS 298.A NZ ASP 302.A OD2 no hydrogen 3.388 N/A ALA 299.A N PRO 295.A O no hydrogen 3.178 N/A CYS 300.A N LEU 296.A O no hydrogen 3.257 N/A ARG 301.A N LEU 297.A O no hydrogen 3.035 N/A ASP 302.A N LYS 298.A O no hydrogen 2.886 N/A ASN 303.A N ALA 299.A O no hydrogen 3.077 N/A ASN 303.A ND2 VAL 223.A O no hydrogen 2.737 N/A ASN 303.A ND2 LYS 225.A O no hydrogen 2.922 N/A LEU 304.A N CYS 300.A O no hydrogen 2.881 N/A SER 305.A N ARG 301.A O no hydrogen 3.191 N/A SER 305.A OG ARG 301.A O no hydrogen 3.177 N/A GLN 306.A N ASP 302.A O no hydrogen 3.211 N/A TRP 307.A N ASN 303.A O no hydrogen 3.135 N/A GLU 308.A N LEU 304.A O no hydrogen 2.836 N/A LYS 309.A N SER 305.A O no hydrogen 3.110 N/A LYS 309.A N GLN 306.A O no hydrogen 3.220 N/A LYS 309.A NZ GLN 306.A OE1 no hydrogen 3.482 N/A VAL 310.A N GLN 306.A O no hydrogen 3.141 N/A ILE 311.A N TRP 307.A O no hydrogen 3.055 N/A ARG 312.A N GLU 308.A O no hydrogen 3.264 N/A ARG 312.A NE GLU 314.A OE2 no hydrogen 3.001 N/A ARG 312.A NH2 GLU 314.A OE2 no hydrogen 2.786 N/A GLY 313.A N VAL 310.A O no hydrogen 3.233 N/A GLU 314.A N LYS 309.A O no hydrogen 3.093 N/A