Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4dit_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N TYR 22.A O no hydrogen 2.943 N/A VAL 6.A N VAL 20.A O no hydrogen 2.703 N/A ALA 8.A N GLN 18.A O no hydrogen 2.943 N/A THR 9.A N PHE 81.A O no hydrogen 3.221 N/A GLY 11.A N ARG 79.A O no hydrogen 2.789 N/A GLN 18.A N ALA 8.A O no hydrogen 2.761 N/A GLU 19.A N GLN 18.A OE1 no hydrogen 2.744 N/A VAL 20.A N VAL 6.A O no hydrogen 2.799 N/A TYR 22.A N THR 4.A O no hydrogen 3.066 N/A THR 23.A N LYS 40.A O no hydrogen 2.782 N/A THR 23.A OG1 LYS 2.A O no hydrogen 2.824 N/A ASP 24.A N THR 23.A OG1 no hydrogen 2.693 N/A LYS 26.A N GLN 38.A O no hydrogen 3.026 N/A ILE 28.A N VAL 36.A O no hydrogen 2.843 N/A ASN 30.A ND2 GLY 29.A O no hydrogen 3.589 N/A VAL 36.A N GLY 29.A O no hydrogen 3.235 N/A TYR 37.A N ILE 50.A O no hydrogen 2.838 N/A GLN 38.A N LYS 26.A O no hydrogen 2.976 N/A ALA 39.A N VAL 48.A O no hydrogen 2.922 N/A LYS 40.A N THR 23.A O no hydrogen 2.795 N/A LEU 41.A N GLU 46.A O no hydrogen 2.922 N/A CYS 42.A N SER 21.A O no hydrogen 3.073 N/A SER 44.A OG GLU 46.A OE1 no hydrogen 2.822 N/A GLU 46.A N SER 44.A OG no hydrogen 3.406 N/A VAL 48.A N ALA 39.A O no hydrogen 2.754 N/A ALA 49.A N LEU 94.A O no hydrogen 2.979 N/A ILE 50.A N TYR 37.A O no hydrogen 2.805 N/A LYS 51.A N LEU 92.A O no hydrogen 2.989 N/A LYS 51.A NZ GLU 63.A OE1 no hydrogen 3.426 N/A LYS 51.A NZ GLU 63.A OE2 no hydrogen 2.717 N/A LYS 51.A NZ ASP 162.A OD1 no hydrogen 3.009 N/A LYS 52.A N VAL 35.A O no hydrogen 2.814 N/A LYS 52.A NZ TYR 37.A OH no hydrogen 3.283 N/A VAL 53.A N LEU 90.A O no hydrogen 2.916 N/A GLN 55.A N VAL 88.A O no hydrogen 2.771 N/A PHE 59.A N ASP 56.A O no hydrogen 3.419 N/A LEU 64.A N ASN 61.A O no hydrogen 3.215 N/A LEU 64.A N ASN 61.A OD1 no hydrogen 2.595 N/A GLN 65.A N ASN 61.A O no hydrogen 3.219 N/A GLN 65.A NE2 ASN 61.A O no hydrogen 2.733 N/A ILE 66.A N ARG 62.A O no hydrogen 3.073 N/A MET 67.A N GLU 63.A O no hydrogen 3.041 N/A ARG 68.A N LEU 64.A O no hydrogen 2.925 N/A ARG 68.A NE GLY 11.A O no hydrogen 3.203 N/A ARG 68.A NH1 ASP 15.A OD2 no hydrogen 3.050 N/A LYS 69.A N ILE 66.A O no hydrogen 3.206 N/A LYS 69.A NZ GLN 168.A OE1 no hydrogen 3.059 N/A LEU 70.A N MET 67.A O no hydrogen 3.013 N/A ASP 71.A N TYR 133.A OH no hydrogen 2.869 N/A HIS 72.A NE2 GLU 307.A OE2 no hydrogen 2.941 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 2.854 N/A ASN 74.A ND2 GLN 126.A OE1 no hydrogen 3.151 N/A ASN 74.A ND2 LEU 158.A O no hydrogen 2.764 N/A ILE 75.A N HIS 72.A O no hydrogen 3.007 N/A VAL 76.A N LEU 160.A O no hydrogen 2.775 N/A ARG 77.A NH2 ASP 95.A OD2 no hydrogen 2.795 N/A ARG 79.A N VAL 93.A O no hydrogen 2.670 N/A ARG 79.A NH1 ASP 95.A OD1 no hydrogen 2.864 N/A TYR 80.A N VAL 93.A O no hydrogen 3.369 N/A PHE 81.A N THR 9.A O no hydrogen 3.053 N/A PHE 82.A N ASN 91.A O no hydrogen 2.897 N/A SER 84.A N TYR 89.A O no hydrogen 2.721 N/A SER 84.A OG TYR 89.A O no hydrogen 3.504 N/A SER 84.A OG ASN 91.A OD1 no hydrogen 3.072 N/A TYR 89.A N SER 84.A O no hydrogen 2.595 N/A LEU 90.A N VAL 53.A O no hydrogen 2.636 N/A ASN 91.A N PHE 82.A O no hydrogen 2.531 N/A LEU 92.A N LYS 51.A O no hydrogen 2.924 N/A VAL 93.A N TYR 80.A O no hydrogen 2.849 N/A LEU 94.A N ALA 49.A O no hydrogen 2.881 N/A ASP 95.A N ARG 77.A O no hydrogen 2.965 N/A TYR 96.A N LEU 47.A O no hydrogen 3.494 N/A GLU 99.A N LEU 151.A O no hydrogen 3.131 N/A VAL 101.A N LEU 149.A O no hydrogen 2.887 N/A ARG 103.A N THR 100.A OG1 no hydrogen 3.039 N/A ARG 103.A NE GLU 99.A OE2 no hydrogen 2.603 N/A ARG 103.A NH2 GLU 99.A OE1 no hydrogen 3.138 N/A VAL 104.A N THR 100.A O no hydrogen 2.987 N/A ALA 105.A N VAL 101.A O no hydrogen 2.985 N/A ARG 106.A N TYR 102.A O no hydrogen 3.049 N/A HIS 107.A N ARG 103.A O no hydrogen 3.153 N/A TYR 108.A N VAL 104.A O no hydrogen 3.202 N/A SER 109.A N ALA 105.A O no hydrogen 3.187 N/A ARG 110.A N ARG 106.A O no hydrogen 3.179 N/A ALA 111.A N TYR 108.A O no hydrogen 3.271 N/A LYS 112.A N SER 109.A O no hydrogen 2.953 N/A GLN 113.A N TYR 108.A O no hydrogen 3.074 N/A THR 114.A OG1 LEU 208.A O no hydrogen 3.309 N/A TYR 119.A N PRO 116.A O no hydrogen 2.988 N/A VAL 120.A N PRO 116.A O no hydrogen 3.310 N/A LYS 121.A N VAL 117.A O no hydrogen 2.881 N/A LYS 121.A NZ GLU 283.A OE1 no hydrogen 2.449 N/A LEU 122.A N ILE 118.A O no hydrogen 3.054 N/A TYR 123.A N TYR 119.A O no hydrogen 2.980 N/A MET 124.A N VAL 120.A O no hydrogen 2.853 N/A TYR 125.A N LYS 121.A O no hydrogen 2.815 N/A TYR 125.A OH LEU 300.A O no hydrogen 2.603 N/A GLN 126.A NE2 LEU 122.A O no hydrogen 2.443 N/A GLN 126.A NE2 ALA 156.A O no hydrogen 2.937 N/A LEU 127.A N TYR 123.A O no hydrogen 3.037 N/A PHE 128.A N MET 124.A O no hydrogen 3.037 N/A ARG 129.A N TYR 125.A O no hydrogen 3.034 N/A ARG 129.A NH1 ASN 302.A OD1 no hydrogen 2.865 N/A ARG 129.A NH2 ASN 302.A OD1 no hydrogen 2.847 N/A ARG 129.A NH2 GLU 307.A OE2 no hydrogen 2.857 N/A SER 130.A N GLN 126.A O no hydrogen 3.047 N/A SER 130.A OG LEU 127.A O no hydrogen 2.515 N/A LEU 131.A N LEU 127.A O no hydrogen 2.906 N/A ALA 132.A N PHE 128.A O no hydrogen 2.836 N/A TYR 133.A N ARG 129.A O no hydrogen 3.080 N/A ILE 134.A N SER 130.A O no hydrogen 3.051 N/A HIS 135.A N LEU 131.A O no hydrogen 2.816 N/A HIS 135.A NE2 ASP 196.A OD2 no hydrogen 2.702 N/A SER 136.A OG TYR 133.A O no hydrogen 2.672 N/A PHE 137.A N ILE 134.A O no hydrogen 2.962 N/A GLY 138.A N HIS 135.A O no hydrogen 2.762 N/A ILE 139.A N ILE 134.A O no hydrogen 3.072 N/A CYS 140.A N LYS 167.A O no hydrogen 3.096 N/A CYS 140.A SG ASP 196.A OD1 no hydrogen 3.700 N/A CYS 140.A SG ASP 196.A OD2 no hydrogen 3.561 N/A HIS 141.A N ASP 196.A OD2 no hydrogen 2.852 N/A HIS 141.A NE2 CYS 161.A O no hydrogen 3.047 N/A ARG 142.A N ASP 196.A OD1 no hydrogen 2.986 N/A ARG 142.A NE TYR 191.A OH no hydrogen 3.499 N/A ARG 142.A NH1 SER 165.A O no hydrogen 2.962 N/A ARG 142.A NH2 TYR 191.A OH no hydrogen 3.569 N/A ASP 143.A N HIS 141.A ND1 no hydrogen 3.039 N/A LYS 145.A NZ ASP 143.A OD2 no hydrogen 3.161 N/A GLN 147.A N GLN 147.A OE1 no hydrogen 2.615 N/A ASN 148.A N LYS 145.A O no hydrogen 2.703 N/A ASN 148.A ND2 ASP 143.A O no hydrogen 2.518 N/A LEU 150.A N LYS 159.A O no hydrogen 2.959 N/A LEU 151.A N GLU 99.A O no hydrogen 2.980 N/A ASP 152.A N VAL 157.A O no hydrogen 3.075 N/A THR 155.A N ASP 152.A O no hydrogen 3.038 N/A THR 155.A OG1 ASP 152.A O no hydrogen 3.200 N/A THR 155.A OG1 ASP 152.A OD1 no hydrogen 2.825 N/A ALA 156.A N ASP 152.A O no hydrogen 2.655 N/A LEU 158.A N GLN 126.A OE1 no hydrogen 3.145 N/A LYS 159.A N LEU 150.A O no hydrogen 2.834 N/A LYS 159.A NZ CYS 73.A O no hydrogen 3.211 N/A LEU 160.A N ASN 74.A O no hydrogen 2.854 N/A CYS 161.A N ASN 148.A O no hydrogen 3.072 N/A CYS 161.A SG ASN 148.A O no hydrogen 3.210 N/A ALA 166.A N PHE 163.A O no hydrogen 3.219 N/A LYS 167.A N CYS 140.A O no hydrogen 2.939 N/A LYS 167.A NZ ASN 175.A OD1 no hydrogen 3.412 N/A GLN 168.A NE2 PHE 137.A O no hydrogen 2.480 N/A LEU 169.A N GLY 138.A O no hydrogen 2.918 N/A ASN 175.A N THR 189.A O no hydrogen 2.884 N/A TYR 179.A OH GLU 206.A OE1 no hydrogen 2.882 N/A TYR 179.A OH GLU 206.A OE2 no hydrogen 3.247 N/A LEU 184.A N ALA 181.A O no hydrogen 2.910 N/A ILE 185.A N ALA 181.A O no hydrogen 3.254 N/A PHE 186.A N PRO 182.A O no hydrogen 2.993 N/A GLY 187.A N LEU 184.A O no hydrogen 2.726 N/A ALA 188.A N GLU 183.A O no hydrogen 2.888 N/A SER 194.A N THR 192.A OG1 no hydrogen 3.123 N/A SER 194.A OG THR 192.A OG1 no hydrogen 2.881 N/A ILE 195.A N THR 192.A O no hydrogen 3.286 N/A ASP 196.A N SER 193.A O no hydrogen 3.285 N/A VAL 197.A N SER 194.A O no hydrogen 3.217 N/A TRP 198.A N SER 194.A O no hydrogen 3.429 N/A SER 199.A N ILE 195.A O no hydrogen 3.127 N/A SER 199.A OG TYR 179.A O no hydrogen 2.659 N/A SER 199.A OG ILE 195.A O no hydrogen 3.351 N/A ALA 200.A N ASP 196.A O no hydrogen 2.956 N/A GLY 201.A N VAL 197.A O no hydrogen 2.943 N/A CYS 202.A N TRP 198.A O no hydrogen 2.995 N/A CYS 202.A SG TYR 178.A O no hydrogen 3.921 N/A CYS 202.A SG TRP 198.A O no hydrogen 3.346 N/A VAL 203.A N SER 199.A O no hydrogen 2.949 N/A LEU 204.A N ALA 200.A O no hydrogen 2.855 N/A ALA 205.A N GLY 201.A O no hydrogen 2.936 N/A GLU 206.A N CYS 202.A O no hydrogen 2.809 N/A LEU 207.A N VAL 203.A O no hydrogen 2.977 N/A LEU 208.A N LEU 204.A O no hydrogen 3.194 N/A LEU 209.A N ALA 205.A O no hydrogen 2.862 N/A GLY 210.A N GLU 206.A O no hydrogen 2.588 N/A SER 218.A OG ASP 221.A OD2 no hydrogen 2.664 N/A GLN 222.A N SER 218.A O no hydrogen 2.714 N/A LEU 223.A N GLY 219.A O no hydrogen 2.525 N/A VAL 224.A N VAL 220.A O no hydrogen 2.765 N/A GLU 225.A N ASP 221.A O no hydrogen 3.173 N/A GLU 225.A N GLN 222.A O no hydrogen 2.880 N/A ILE 226.A N GLN 222.A O no hydrogen 3.114 N/A ILE 227.A N LEU 223.A O no hydrogen 3.064 N/A LYS 228.A N VAL 224.A O no hydrogen 2.863 N/A LEU 230.A N ILE 226.A O no hydrogen 2.650 N/A GLY 231.A N ILE 227.A O no hydrogen 2.663 N/A ARG 235.A NH2 ARG 235.A O no hydrogen 2.889 N/A GLN 237.A N THR 234.A OG1 no hydrogen 3.219 N/A ILE 238.A N THR 234.A O no hydrogen 2.708 N/A ARG 239.A N ARG 235.A O no hydrogen 3.145 N/A GLU 240.A N GLU 236.A O no hydrogen 3.065 N/A MET 241.A N GLN 237.A O no hydrogen 2.669 N/A VAL 245.A N TRP 242.A O no hydrogen 2.804 N/A THR 250.A N ARG 247.A O no hydrogen 3.331 N/A THR 250.A OG1 ARG 247.A O no hydrogen 2.464 N/A ALA 254.A N PRO 251.A O no hydrogen 2.708 N/A ILE 255.A N PRO 251.A O no hydrogen 3.270 N/A ALA 256.A N PRO 252.A O no hydrogen 2.750 N/A LEU 257.A N GLU 253.A O no hydrogen 2.860 N/A CYS 258.A N ALA 254.A O no hydrogen 3.021 N/A CYS 258.A SG ALA 254.A O no hydrogen 2.905 N/A SER 259.A N ILE 255.A O no hydrogen 3.334 N/A SER 259.A OG ALA 256.A O no hydrogen 2.691 N/A ARG 260.A N LEU 257.A O no hydrogen 3.306 N/A ARG 260.A NH1 ALA 268.A O no hydrogen 3.225 N/A LEU 262.A N CYS 258.A O no hydrogen 3.012 N/A TYR 264.A OH GLY 231.A O no hydrogen 2.611 N/A ALA 268.A N THR 265.A O no hydrogen 2.848 N/A ARG 269.A N PRO 266.A O no hydrogen 3.190 N/A ARG 269.A NE GLU 263.A O no hydrogen 2.737 N/A ARG 269.A NH1 GLU 183.A OE1 no hydrogen 3.378 N/A ARG 269.A NH1 GLU 183.A OE2 no hydrogen 3.005 N/A ARG 269.A NH1 SER 194.A OG no hydrogen 3.251 N/A ARG 269.A NH2 GLU 183.A OE2 no hydrogen 2.500 N/A ARG 269.A NH2 GLU 263.A O no hydrogen 2.991 N/A LEU 270.A N ARG 260.A O no hydrogen 3.002 N/A ALA 275.A N THR 271.A O no hydrogen 2.853 N/A CYS 276.A N PRO 272.A O no hydrogen 2.797 N/A CYS 276.A SG TYR 125.A O no hydrogen 3.759 N/A CYS 276.A SG PRO 272.A O no hydrogen 3.852 N/A ALA 277.A N LEU 273.A O no hydrogen 3.216 N/A HIS 278.A N ALA 275.A O no hydrogen 2.876 N/A PHE 281.A N HIS 278.A O no hydrogen 3.020 N/A ASP 282.A N SER 279.A O no hydrogen 3.092 N/A LEU 284.A N PHE 281.A O no hydrogen 2.771 N/A ARG 285.A N ASP 282.A O no hydrogen 2.720 N/A ARG 285.A NH1 CYS 276.A O no hydrogen 3.033 N/A ARG 285.A NH2 HIS 278.A O no hydrogen 2.922 N/A ARG 285.A NH2 ASP 282.A OD1 no hydrogen 3.012 N/A ASP 286.A N GLU 283.A O no hydrogen 3.199 N/A ASN 288.A N ASP 286.A OD1 no hydrogen 2.572 N/A VAL 289.A N ASP 286.A O no hydrogen 3.332 N/A GLY 294.A N LEU 291.A O no hydrogen 2.745 N/A ARG 295.A N ASN 293.A OD1 no hydrogen 3.225 N/A THR 297.A OG1 ASP 296.A OD1 no hydrogen 3.503 N/A THR 304.A N GLU 307.A OE1 no hydrogen 3.005 N/A THR 304.A OG1 GLU 307.A OE1 no hydrogen 3.492 N/A GLN 306.A NE2 SER 136.A OG no hydrogen 3.004 N/A GLU 307.A N THR 304.A OG1 no hydrogen 3.098 N/A LEU 308.A N THR 304.A O no hydrogen 3.147 N/A SER 309.A N GLN 306.A O no hydrogen 3.150 N/A SER 309.A OG GLN 306.A O no hydrogen 2.638 N/A ASN 311.A N LEU 308.A O no hydrogen 2.648 N/A LEU 314.A N ASN 311.A O no hydrogen 3.070 N/A ALA 315.A N PRO 312.A O no hydrogen 2.609 N/A THR 316.A N PRO 313.A O no hydrogen 3.251 N/A THR 316.A OG1 PRO 313.A O no hydrogen 2.747 N/A ILE 317.A N LEU 314.A O no hydrogen 3.182 N/A LEU 318.A N LEU 314.A O no hydrogen 3.228 N/A ILE 319.A N ALA 315.A O no hydrogen 3.010 N/A ARG 324.A N PRO 320.A O no hydrogen 3.281 N/A ARG 324.A N PRO 321.A O no hydrogen 3.042 N/A ILE 325.A N PRO 321.A O no hydrogen 3.232 N/A GLN 326.A N HIS 322.A O no hydrogen 2.944 N/A ALA 327.A N ARG 324.A O no hydrogen 2.953 N/A