Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5xui_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A SG THR 5.A O no hydrogen 4.037 N/A CYS 4.A SG ARG 63.A O no hydrogen 3.407 N/A CYS 4.A SG SER 67.A OG no hydrogen 3.756 N/A THR 5.A OG1 GLU 8.A OE1 no hydrogen 2.802 N/A GLN 10.A N SER 6.A O no hydrogen 3.105 N/A GLY 11.A N GLU 7.A O no hydrogen 3.061 N/A LEU 12.A N TRP 9.A O no hydrogen 3.137 N/A THR 16.A OG1 GLN 14.A O no hydrogen 3.323 N/A LEU 21.A N PRO 18.A O no hydrogen 2.912 N/A CYS 22.A N VAL 19.A O no hydrogen 3.371 N/A CYS 22.A SG VAL 19.A O no hydrogen 3.649 N/A CYS 22.A SG TYR 45.A OH no hydrogen 3.464 N/A ILE 25.A N LEU 21.A O no hydrogen 2.924 N/A GLU 26.A N LYS 23.A O no hydrogen 3.127 N/A LEU 27.A N GLU 24.A O no hydrogen 3.150 N/A PHE 30.A N LEU 27.A O no hydrogen 3.181 N/A GLY 33.A N ASP 31.A OD1 no hydrogen 2.720 N/A PHE 35.A N ILE 32.A O no hydrogen 3.234 N/A MET 38.A N PHE 35.A O no hydrogen 2.826 N/A TRP 39.A N GLU 36.A O no hydrogen 2.863 N/A TRP 39.A NE1 ILE 32.A O no hydrogen 2.491 N/A ILE 42.A N MET 38.A O no hydrogen 2.727 N/A PHE 43.A N TRP 39.A O no hydrogen 3.188 N/A VAL 44.A N PRO 40.A O no hydrogen 3.321 N/A TYR 45.A N GLY 41.A O no hydrogen 2.883 N/A MET 46.A N ILE 42.A O no hydrogen 2.911 N/A VAL 47.A N PHE 43.A O no hydrogen 2.909 N/A HIS 48.A N VAL 44.A O no hydrogen 2.749 N/A ARG 49.A N TYR 45.A O no hydrogen 2.880 N/A ARG 49.A NE TYR 45.A OH no hydrogen 3.204 N/A SER 50.A N MET 46.A O no hydrogen 2.824 N/A CYS 51.A N VAL 47.A O no hydrogen 2.927 N/A CYS 51.A SG VAL 47.A O no hydrogen 3.969 N/A CYS 55.A SG CYS 51.A O no hydrogen 3.157 N/A CYS 55.A SG ASP 103.A OD2 no hydrogen 3.623 N/A LEU 61.A N GLU 57.A O no hydrogen 3.025 N/A CYS 62.A N LEU 58.A O no hydrogen 3.155 N/A CYS 62.A SG LEU 58.A O no hydrogen 3.569 N/A ARG 63.A N GLU 59.A O no hydrogen 3.380 N/A ARG 63.A NH1 GLY 160.A O no hydrogen 3.327 N/A ILE 65.A N LEU 61.A O no hydrogen 3.151 N/A MET 66.A N CYS 62.A O no hydrogen 3.315 N/A SER 67.A N ARG 63.A O no hydrogen 3.134 N/A SER 67.A OG ARG 63.A O no hydrogen 3.183 N/A SER 67.A OG HIS 161.A NE2 no hydrogen 2.822 N/A VAL 68.A N PHE 64.A O no hydrogen 2.939 N/A LYS 69.A N ILE 65.A O no hydrogen 3.083 N/A LYS 70.A N MET 66.A O no hydrogen 3.085 N/A ASN 71.A N SER 67.A O no hydrogen 3.026 N/A ASN 71.A N VAL 68.A O no hydrogen 3.005 N/A ASN 71.A ND2 SER 2.A O no hydrogen 3.428 N/A TYR 72.A N LYS 69.A O no hydrogen 3.048 N/A TYR 72.A OH LEU 114.A O no hydrogen 2.617 N/A ARG 73.A NE ASP 119.A OD1 no hydrogen 2.628 N/A ARG 73.A NH2 ASP 119.A OD1 no hydrogen 2.963 N/A ARG 73.A NH2 ASP 119.A OD2 no hydrogen 3.472 N/A TYR 77.A N GLU 248.A OE1 no hydrogen 2.883 N/A HIS 78.A N GLU 248.A OE1 no hydrogen 3.112 N/A HIS 78.A ND1 GLU 248.A OE2 no hydrogen 2.602 N/A ASN 79.A N TYR 77.A O no hydrogen 2.783 N/A ASN 79.A ND2 VAL 75.A O no hydrogen 2.776 N/A LYS 81.A N ASN 79.A OD1 no hydrogen 2.949 N/A HIS 82.A N ASN 79.A OD1 no hydrogen 3.220 N/A ALA 83.A N ASN 79.A O no hydrogen 3.069 N/A VAL 84.A N TRP 80.A O no hydrogen 3.190 N/A THR 85.A N LYS 81.A O no hydrogen 2.802 N/A THR 85.A OG1 LYS 81.A O no hydrogen 2.657 N/A VAL 86.A N HIS 82.A O no hydrogen 2.998 N/A ALA 87.A N ALA 83.A O no hydrogen 3.026 N/A HIS 88.A N VAL 84.A O no hydrogen 2.793 N/A HIS 88.A NE2 ILE 25.A O no hydrogen 2.673 N/A CYS 89.A N THR 85.A O no hydrogen 3.202 N/A MET 90.A N VAL 86.A O no hydrogen 3.161 N/A TYR 91.A N ALA 87.A O no hydrogen 2.960 N/A TYR 91.A OH GLU 26.A OE2 no hydrogen 2.912 N/A ALA 92.A N HIS 88.A O no hydrogen 3.030 N/A ILE 93.A N CYS 89.A O no hydrogen 2.891 N/A LEU 94.A N MET 90.A O no hydrogen 2.947 N/A GLN 95.A N TYR 91.A O no hydrogen 2.847 N/A GLN 95.A NE2 GLU 26.A OE1 no hydrogen 3.464 N/A ASN 96.A N ALA 92.A O no hydrogen 3.118 N/A ASN 96.A ND2 ALA 92.A O no hydrogen 2.469 N/A ASN 97.A N LEU 94.A O no hydrogen 3.269 N/A ASN 97.A ND2 ILE 93.A O no hydrogen 3.052 N/A LEU 100.A N ASN 97.A O no hydrogen 3.112 N/A THR 102.A N GLU 105.A OE1 no hydrogen 2.879 N/A GLU 105.A N THR 102.A OG1 no hydrogen 3.094 N/A ARG 106.A N THR 102.A O no hydrogen 2.964 N/A LYS 107.A N ASP 103.A O no hydrogen 3.172 N/A GLY 108.A N LEU 104.A O no hydrogen 2.890 N/A LEU 109.A N GLU 105.A O no hydrogen 2.651 N/A LEU 110.A N ARG 106.A O no hydrogen 3.125 N/A ILE 111.A N LYS 107.A O no hydrogen 2.961 N/A ALA 112.A N GLY 108.A O no hydrogen 2.930 N/A CYS 113.A N LEU 109.A O no hydrogen 2.948 N/A CYS 113.A SG LEU 109.A O no hydrogen 3.495 N/A LEU 114.A N LEU 110.A O no hydrogen 3.268 N/A CYS 115.A N ILE 111.A O no hydrogen 3.128 N/A CYS 115.A N ALA 112.A O no hydrogen 3.142 N/A CYS 115.A SG ILE 111.A O no hydrogen 3.117 N/A HIS 116.A N CYS 113.A O no hydrogen 3.405 N/A ASP 117.A N TYR 72.A OH no hydrogen 3.309 N/A LEU 118.A N CYS 115.A O no hydrogen 3.204 N/A ASP 119.A N ASN 71.A O no hydrogen 2.876 N/A ARG 121.A NE ASP 119.A O no hydrogen 3.049 N/A ARG 121.A NE ASP 119.A OD2 no hydrogen 3.385 N/A ARG 121.A NH2 ASP 119.A OD2 no hydrogen 2.943 N/A GLY 122.A N HIS 120.A ND1 no hydrogen 2.871 N/A SER 124.A N GLU 252.A OE1 no hydrogen 2.573 N/A SER 124.A OG GLU 252.A OE1 no hydrogen 3.128 N/A SER 124.A OG GLU 252.A OE2 no hydrogen 2.620 N/A ASN 125.A ND2 GLU 145.A OE1 no hydrogen 2.997 N/A TYR 127.A N SER 124.A OG no hydrogen 3.251 N/A LEU 128.A N SER 124.A O no hydrogen 3.272 N/A GLN 129.A N ASN 125.A O no hydrogen 3.152 N/A GLN 129.A NE2 THR 143.A OG1 no hydrogen 2.743 N/A LYS 130.A N SER 126.A O no hydrogen 2.663 N/A PHE 131.A N TYR 127.A O no hydrogen 3.125 N/A HIS 133.A N LEU 128.A O no hydrogen 3.152 N/A LEU 135.A N HIS 133.A ND1 no hydrogen 3.499 N/A ALA 136.A N HIS 133.A O no hydrogen 3.254 N/A ALA 137.A N HIS 133.A O no hydrogen 3.174 N/A ALA 137.A N PRO 134.A O no hydrogen 3.155 N/A LEU 138.A N PRO 134.A O no hydrogen 3.142 N/A TYR 139.A N LEU 135.A O no hydrogen 3.349 N/A SER 142.A OG ASP 187.A OD2 no hydrogen 2.934 N/A THR 143.A OG1 TYR 139.A O no hydrogen 2.829 N/A THR 143.A OG1 SER 140.A O no hydrogen 3.415 N/A MET 144.A N ASN 125.A OD1 no hydrogen 2.821 N/A GLN 146.A N SER 142.A O no hydrogen 3.093 N/A HIS 147.A NE2 ASP 119.A OD2 no hydrogen 2.731 N/A HIS 148.A N MET 144.A O no hydrogen 2.933 N/A HIS 148.A ND1 LEU 118.A O no hydrogen 2.742 N/A PHE 149.A N GLU 145.A O no hydrogen 2.851 N/A SER 150.A N GLN 146.A O no hydrogen 2.721 N/A GLN 151.A N HIS 147.A O no hydrogen 2.621 N/A THR 152.A N HIS 148.A O no hydrogen 3.202 N/A THR 152.A OG1 HIS 148.A O no hydrogen 2.928 N/A VAL 153.A N PHE 149.A O no hydrogen 2.920 N/A SER 154.A N SER 150.A O no hydrogen 2.998 N/A SER 154.A OG SER 150.A O no hydrogen 3.182 N/A ILE 155.A N GLN 151.A O no hydrogen 2.999 N/A LEU 156.A N THR 152.A O no hydrogen 3.028 N/A GLN 157.A N VAL 153.A O no hydrogen 3.080 N/A LEU 158.A N ILE 155.A O no hydrogen 3.105 N/A HIS 161.A N LEU 158.A O no hydrogen 3.243 N/A HIS 161.A ND1 GLU 159.A O no hydrogen 2.725 N/A HIS 161.A NE2 SER 67.A OG no hydrogen 2.822 N/A ASN 162.A ND2 TYR 172.A OH no hydrogen 3.519 N/A ILE 163.A N HIS 161.A O no hydrogen 2.574 N/A SER 165.A N ASN 162.A O no hydrogen 2.695 N/A SER 165.A OG ASN 162.A O no hydrogen 2.785 N/A LEU 167.A N PHE 164.A O no hydrogen 3.272 N/A SER 168.A N GLU 171.A OE1 no hydrogen 3.085 N/A SER 168.A OG SER 170.A OG no hydrogen 3.324 N/A SER 170.A N SER 168.A OG no hydrogen 2.885 N/A SER 170.A OG SER 168.A OG no hydrogen 3.324 N/A TYR 172.A N SER 168.A O no hydrogen 2.926 N/A GLU 173.A N SER 169.A O no hydrogen 3.174 N/A VAL 175.A N GLU 171.A O no hydrogen 3.041 N/A LEU 176.A N TYR 172.A O no hydrogen 3.135 N/A ILE 178.A N GLN 174.A O no hydrogen 2.810 N/A ILE 179.A N VAL 175.A O no hydrogen 2.774 N/A ARG 180.A N LEU 176.A O no hydrogen 2.794 N/A ARG 180.A NH2 GLU 177.A OE1 no hydrogen 3.186 N/A LYS 181.A N GLU 177.A O no hydrogen 3.076 N/A LYS 181.A NZ ASP 216.A OD1 no hydrogen 3.176 N/A LYS 181.A NZ ASP 216.A OD2 no hydrogen 2.615 N/A ALA 182.A N ILE 178.A O no hydrogen 3.155 N/A ILE 183.A N ILE 179.A O no hydrogen 3.085 N/A ILE 184.A N ARG 180.A O no hydrogen 2.899 N/A ALA 185.A N LYS 181.A O no hydrogen 2.629 N/A THR 186.A N ILE 183.A O no hydrogen 2.751 N/A THR 186.A OG1 ILE 183.A O no hydrogen 2.335 N/A ASP 187.A N ILE 184.A O no hydrogen 2.980 N/A LEU 190.A N ASP 187.A O no hydrogen 2.796 N/A TYR 191.A N LEU 188.A O no hydrogen 3.020 N/A ASN 194.A N LEU 190.A O no hydrogen 3.343 N/A ARG 195.A N TYR 191.A O no hydrogen 2.848 N/A LYS 196.A N PHE 192.A O no hydrogen 3.102 N/A GLN 197.A N GLY 193.A O no hydrogen 2.883 N/A LEU 198.A N ASN 194.A O no hydrogen 3.031 N/A GLU 199.A N ARG 195.A O no hydrogen 2.893 N/A GLU 200.A N LYS 196.A O no hydrogen 3.094 N/A MET 201.A N GLN 197.A O no hydrogen 2.742 N/A TYR 202.A N LEU 198.A O no hydrogen 2.864 N/A GLN 203.A N GLU 199.A O no hydrogen 2.987 N/A THR 204.A N GLU 200.A O no hydrogen 2.990 N/A GLY 205.A N TYR 202.A O no hydrogen 2.954 N/A SER 206.A N MET 201.A O no hydrogen 2.747 N/A SER 206.A OG MET 201.A O no hydrogen 3.251 N/A SER 206.A OG THR 204.A OG1 no hydrogen 2.775 N/A LEU 207.A N MET 201.A O no hydrogen 3.027 N/A ASN 208.A N HIS 214.A ND1 no hydrogen 2.800 N/A ASN 211.A N ASN 208.A O no hydrogen 2.956 N/A ASN 211.A ND2 SER 213.A OG no hydrogen 2.941 N/A GLN 212.A NE2 GLN 212.A O no hydrogen 2.822 N/A GLN 212.A NE2 ASP 216.A OD2 no hydrogen 3.509 N/A HIS 214.A N ASN 211.A O no hydrogen 2.912 N/A ARG 215.A N ASN 211.A O no hydrogen 3.022 N/A ARG 215.A NE GLU 105.A OE2 no hydrogen 2.673 N/A ARG 215.A NH1 LEU 209.A O no hydrogen 3.260 N/A ARG 215.A NH2 LEU 100.A O no hydrogen 3.062 N/A ARG 215.A NH2 GLU 105.A OE1 no hydrogen 2.561 N/A ARG 215.A NH2 GLU 105.A OE2 no hydrogen 3.032 N/A ASP 216.A N GLN 212.A O no hydrogen 3.097 N/A ARG 217.A N SER 213.A O no hydrogen 3.215 N/A VAL 218.A N HIS 214.A O no hydrogen 2.698 N/A ILE 219.A N ARG 215.A O no hydrogen 2.798 N/A GLY 220.A N ASP 216.A O no hydrogen 2.856 N/A LEU 221.A N ARG 217.A O no hydrogen 2.946 N/A MET 222.A N VAL 218.A O no hydrogen 2.923 N/A MET 223.A N ILE 219.A O no hydrogen 2.726 N/A THR 224.A N GLY 220.A O no hydrogen 2.878 N/A THR 224.A OG1 GLY 220.A O no hydrogen 3.498 N/A ALA 225.A N LEU 221.A O no hydrogen 2.983 N/A CYS 226.A N MET 222.A O no hydrogen 2.835 N/A CYS 226.A SG MET 222.A O no hydrogen 3.295 N/A ASP 227.A N MET 223.A O no hydrogen 2.722 N/A LEU 228.A N THR 224.A O no hydrogen 3.127 N/A CYS 229.A N CYS 226.A O no hydrogen 3.229 N/A CYS 229.A SG CYS 226.A O no hydrogen 3.347 N/A VAL 231.A N LEU 228.A O no hydrogen 3.378 N/A THR 232.A N CYS 229.A O no hydrogen 2.936 N/A THR 232.A OG1 CYS 229.A O no hydrogen 2.614 N/A LYS 233.A N SER 230.A O no hydrogen 3.234 N/A LYS 233.A NZ PHE 28.A O no hydrogen 3.356 N/A LYS 233.A NZ PHE 30.A O no hydrogen 2.994 N/A THR 238.A N LEU 234.A O no hydrogen 2.894 N/A THR 238.A OG1 SER 230.A O no hydrogen 2.475 N/A THR 238.A OG1 LYS 233.A O no hydrogen 3.269 N/A LYS 239.A N TRP 235.A O no hydrogen 2.911 N/A THR 241.A N VAL 237.A O no hydrogen 3.207 N/A THR 241.A OG1 VAL 237.A O no hydrogen 3.351 N/A ALA 242.A N THR 238.A O no hydrogen 2.841 N/A ASN 243.A N LYS 239.A O no hydrogen 3.151 N/A ASP 244.A N LEU 240.A O no hydrogen 3.059 N/A ILE 245.A N THR 241.A O no hydrogen 2.991 N/A TYR 246.A N ALA 242.A O no hydrogen 3.303 N/A ALA 247.A N ASN 243.A O no hydrogen 3.386 N/A PHE 249.A N ILE 245.A O no hydrogen 3.121 N/A TRP 250.A N TYR 246.A O no hydrogen 2.708 N/A ALA 251.A N ALA 247.A O no hydrogen 3.292 N/A GLU 252.A N GLU 248.A O no hydrogen 3.284 N/A GLU 252.A N PHE 249.A O no hydrogen 2.986 N/A GLY 253.A N PHE 249.A O no hydrogen 2.973 N/A ASP 254.A N TRP 250.A O no hydrogen 2.665 N/A GLU 255.A N ALA 251.A O no hydrogen 3.281 N/A GLU 255.A N GLU 252.A O no hydrogen 2.979 N/A MET 256.A N GLU 252.A O no hydrogen 3.224 N/A LYS 257.A N GLY 253.A O no hydrogen 2.887 N/A LYS 257.A NZ ASP 268.A OD1 no hydrogen 2.851 N/A LYS 257.A NZ ASP 270.A OD2 no hydrogen 2.562 N/A LYS 258.A N ASP 254.A O no hydrogen 2.993 N/A LEU 259.A N MET 256.A O no hydrogen 3.362 N/A GLY 260.A N LYS 257.A O no hydrogen 2.856 N/A ILE 261.A N MET 256.A O no hydrogen 2.863 N/A MET 267.A N ILE 264.A O no hydrogen 2.802 N/A ASP 268.A N PRO 265.A O no hydrogen 3.207 N/A ARG 269.A NE ASP 254.A OD1 no hydrogen 3.568 N/A ARG 269.A NE ASP 254.A OD2 no hydrogen 3.055 N/A ARG 269.A NH2 ASP 254.A OD2 no hydrogen 3.425 N/A ASP 270.A N ASP 268.A OD1 no hydrogen 3.347 N/A LYS 271.A N ASP 268.A O no hydrogen 2.790 N/A ASP 273.A N ASP 273.A OD1 no hydrogen 2.497 N/A GLU 274.A N LYS 271.A O no hydrogen 3.128 N/A VAL 275.A N LYS 272.A O no hydrogen 3.023 N/A GLY 278.A N GLU 274.A O no hydrogen 3.057 N/A GLN 279.A N VAL 275.A O no hydrogen 2.925 N/A GLN 279.A NE2 TYR 246.A OH no hydrogen 2.783 N/A LEU 280.A N PRO 276.A O no hydrogen 3.058 N/A GLY 281.A N GLN 277.A O no hydrogen 2.989 N/A PHE 282.A N GLY 278.A O no hydrogen 2.969 N/A TYR 283.A N GLN 279.A O no hydrogen 2.772 N/A ASN 284.A N LEU 280.A O no hydrogen 3.071 N/A ASN 284.A ND2 LEU 280.A O no hydrogen 2.976 N/A ALA 285.A N GLY 281.A O no hydrogen 2.947 N/A VAL 286.A N PHE 282.A O no hydrogen 2.900 N/A ALA 287.A N PHE 282.A O no hydrogen 3.078 N/A ILE 288.A N TYR 283.A O no hydrogen 2.635 N/A CYS 290.A N VAL 286.A O no hydrogen 3.100 N/A TYR 291.A N ALA 287.A O no hydrogen 3.060 N/A TYR 291.A OH ALA 225.A O no hydrogen 2.875 N/A THR 292.A N ILE 288.A O no hydrogen 2.776 N/A THR 292.A OG1 ILE 288.A O no hydrogen 2.876 N/A THR 293.A N PRO 289.A O no hydrogen 2.811 N/A THR 293.A OG1 PRO 289.A O no hydrogen 3.123 N/A LEU 294.A N CYS 290.A O no hydrogen 2.949 N/A THR 295.A N TYR 291.A O no hydrogen 2.736 N/A THR 295.A OG1 TYR 291.A O no hydrogen 2.977 N/A GLN 296.A N THR 292.A O no hydrogen 3.131 N/A ILE 297.A N THR 293.A O no hydrogen 3.079 N/A LEU 298.A N LEU 294.A O no hydrogen 2.687 N/A THR 301.A N LEU 298.A O no hydrogen 2.803 N/A THR 301.A OG1 LEU 294.A O no hydrogen 3.346 N/A THR 301.A OG1 LEU 298.A O no hydrogen 2.739 N/A GLU 302.A N PRO 299.A O no hydrogen 2.941 N/A LEU 304.A N THR 301.A O no hydrogen 3.165 N/A LYS 306.A N GLU 302.A O no hydrogen 3.092 N/A LYS 306.A NZ ASP 310.A OD2 no hydrogen 3.110 N/A ALA 307.A N PRO 303.A O no hydrogen 2.972 N/A CYS 308.A N LEU 304.A O no hydrogen 2.904 N/A ARG 309.A N LEU 305.A O no hydrogen 2.940 N/A ASP 310.A N LYS 306.A O no hydrogen 2.822 N/A ASN 311.A N ALA 307.A O no hydrogen 3.034 N/A ASN 311.A ND2 VAL 231.A O no hydrogen 2.962 N/A ASN 311.A ND2 LYS 233.A O no hydrogen 2.633 N/A LEU 312.A N CYS 308.A O no hydrogen 2.994 N/A LEU 312.A N ARG 309.A O no hydrogen 3.133 N/A SER 313.A N ARG 309.A O no hydrogen 3.328 N/A SER 313.A N ASP 310.A O no hydrogen 3.236 N/A SER 313.A OG ARG 309.A O no hydrogen 3.507 N/A SER 313.A OG ASP 310.A O no hydrogen 2.687 N/A GLN 314.A N ASN 311.A O no hydrogen 2.946 N/A TRP 315.A N ASN 311.A O no hydrogen 3.055 N/A GLU 316.A N LEU 312.A O no hydrogen 3.171 N/A LYS 317.A N SER 313.A O no hydrogen 3.128 N/A VAL 318.A N GLN 314.A O no hydrogen 2.961 N/A ILE 319.A N TRP 315.A O no hydrogen 2.753 N/A ARG 320.A N GLU 316.A O no hydrogen 2.687 N/A ARG 320.A NH1 GLU 322.A OE2 no hydrogen 2.931 N/A GLY 321.A N VAL 318.A O no hydrogen 2.992 N/A