Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rwj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ALA 64.A O no hydrogen 3.295 N/A GLU 6.A N GLY 3.A O no hydrogen 3.047 N/A TYR 7.A N VAL 4.A O no hydrogen 3.410 N/A TYR 7.A OH GLU 66.A OE2 no hydrogen 3.127 N/A ARG 14.A N ASP 12.A OD1 no hydrogen 3.365 N/A TRP 15.A N ASP 12.A O no hydrogen 2.749 N/A GLU 16.A N ASP 12.A O no hydrogen 2.808 N/A LEU 17.A N ALA 94.A O no hydrogen 2.793 N/A ARG 19.A NE GLN 97.A O no hydrogen 2.727 N/A ARG 19.A NH1 PRO 100.A O no hydrogen 2.731 N/A ARG 19.A NH2 GLN 97.A O no hydrogen 3.333 N/A ARG 19.A NH2 PRO 100.A O no hydrogen 2.378 N/A ARG 21.A N PRO 18.A O no hydrogen 3.130 N/A ARG 21.A NE ASP 20.A O no hydrogen 3.242 N/A ARG 21.A NE ASP 20.A OD1 no hydrogen 3.186 N/A ARG 21.A NH2 ASP 20.A O no hydrogen 3.284 N/A LEU 22.A N ARG 19.A O no hydrogen 3.120 N/A VAL 23.A N GLU 40.A O no hydrogen 2.838 N/A GLY 25.A N LEU 38.A O no hydrogen 2.602 N/A LEU 28.A N VAL 36.A O no hydrogen 2.536 N/A GLY 34.A N GLY 31.A O no hydrogen 3.056 N/A VAL 37.A N VAL 57.A O no hydrogen 2.924 N/A LEU 38.A N LYS 26.A O no hydrogen 2.726 N/A ALA 39.A N VAL 55.A O no hydrogen 2.957 N/A GLU 40.A N VAL 23.A O no hydrogen 3.047 N/A ALA 41.A N THR 53.A O no hydrogen 2.784 N/A ILE 42.A N ARG 21.A O no hydrogen 2.851 N/A GLY 43.A N ARG 51.A O no hydrogen 2.892 N/A LYS 48.A N ASP 45.A O no hydrogen 3.034 N/A ARG 51.A N LYS 48.A O no hydrogen 3.300 N/A THR 53.A N ALA 41.A O no hydrogen 2.911 N/A VAL 55.A N ALA 39.A O no hydrogen 2.868 N/A ALA 56.A N VAL 105.A O no hydrogen 2.976 N/A VAL 57.A N VAL 37.A O no hydrogen 2.893 N/A LYS 58.A N VAL 103.A O no hydrogen 2.986 N/A LYS 58.A NZ PHE 33.A O no hydrogen 3.049 N/A LYS 58.A NZ GLU 75.A OE2 no hydrogen 3.125 N/A MET 59.A N GLN 35.A O no hydrogen 3.017 N/A ALA 64.A N LYS 61.A O no hydrogen 3.258 N/A THR 65.A N ASP 68.A OD1 no hydrogen 2.731 N/A THR 65.A OG1 ASP 68.A OD1 no hydrogen 3.005 N/A ASP 68.A N THR 65.A OG1 no hydrogen 3.350 N/A LEU 69.A N THR 65.A O no hydrogen 3.246 N/A SER 70.A N GLU 66.A O no hydrogen 3.191 N/A ASP 71.A N LYS 67.A O no hydrogen 2.945 N/A LEU 72.A N ASP 68.A O no hydrogen 3.093 N/A ILE 73.A N LEU 69.A O no hydrogen 3.058 N/A SER 74.A N SER 70.A O no hydrogen 2.821 N/A GLU 75.A N ASP 71.A O no hydrogen 2.730 N/A MET 76.A N LEU 72.A O no hydrogen 3.035 N/A GLU 77.A N ILE 73.A O no hydrogen 2.791 N/A MET 78.A N SER 74.A O no hydrogen 2.850 N/A MET 79.A N GLU 75.A O no hydrogen 3.041 N/A LYS 80.A N MET 76.A O no hydrogen 3.136 N/A LYS 80.A NZ ASP 12.A OD2 no hydrogen 2.915 N/A LYS 80.A NZ GLU 77.A OE2 no hydrogen 3.119 N/A MET 81.A N GLU 77.A O no hydrogen 3.200 N/A ILE 82.A N MET 78.A O no hydrogen 2.972 N/A GLY 83.A N MET 79.A O no hydrogen 3.201 N/A LYS 84.A NZ LEU 91.A O no hydrogen 2.992 N/A HIS 85.A N ASN 90.A OD1 no hydrogen 3.102 N/A ASN 87.A N HIS 85.A ND1 no hydrogen 3.067 N/A ASN 87.A ND2 MET 181.A O no hydrogen 2.954 N/A ILE 88.A N HIS 85.A O no hydrogen 3.392 N/A ILE 89.A N ILE 183.A O no hydrogen 3.020 N/A ASN 90.A N GLU 106.A OE2 no hydrogen 3.106 N/A ASN 90.A ND2 HIS 85.A O no hydrogen 2.825 N/A ASN 90.A ND2 GLU 106.A OE1 no hydrogen 3.471 N/A ASN 90.A ND2 GLU 106.A OE2 no hydrogen 2.953 N/A LEU 92.A N ILE 104.A O no hydrogen 2.683 N/A GLY 93.A N ILE 104.A O no hydrogen 3.127 N/A ALA 94.A N TRP 15.A O no hydrogen 2.901 N/A CYS 95.A N TYR 102.A O no hydrogen 2.818 N/A CYS 95.A SG LEU 17.A O no hydrogen 3.141 N/A THR 96.A N GLU 16.A OE2 no hydrogen 2.890 N/A THR 96.A OG1 GLU 16.A OE1 no hydrogen 2.849 N/A THR 96.A OG1 GLU 16.A OE2 no hydrogen 3.261 N/A TYR 102.A N CYS 95.A O no hydrogen 2.910 N/A VAL 103.A N LYS 58.A O no hydrogen 2.953 N/A ILE 104.A N GLY 93.A O no hydrogen 2.752 N/A VAL 105.A N ALA 56.A O no hydrogen 2.880 N/A GLU 106.A N ASN 90.A O no hydrogen 3.013 N/A SER 109.A OG GLU 177.A OE1 no hydrogen 2.620 N/A LYS 110.A N VAL 175.A O no hydrogen 2.938 N/A LYS 110.A NZ GLU 177.A O no hydrogen 3.353 N/A LYS 110.A NZ ASN 179.A OD1 no hydrogen 2.528 N/A ASN 112.A N GLU 115.A OE2 no hydrogen 2.844 N/A LEU 113.A N ALA 170.A O no hydrogen 3.219 N/A LEU 113.A N VAL 173.A O no hydrogen 2.703 N/A ARG 114.A NH2 SER 242.A OG no hydrogen 2.933 N/A GLU 115.A N ASN 112.A OD1 no hydrogen 2.991 N/A TYR 116.A N ASN 112.A O no hydrogen 3.013 N/A TYR 116.A OH ASN 179.A OD1 no hydrogen 3.365 N/A LEU 117.A N LEU 113.A O no hydrogen 3.030 N/A GLN 118.A N ARG 114.A O no hydrogen 3.048 N/A GLN 118.A NE2 GLY 240.A O no hydrogen 2.914 N/A ALA 119.A N GLU 115.A O no hydrogen 3.106 N/A ARG 120.A N LEU 117.A O no hydrogen 3.018 N/A ARG 120.A NH1 TYR 116.A O no hydrogen 2.768 N/A ARG 121.A N GLN 118.A O no hydrogen 3.259 N/A ARG 121.A NE LEU 239.A O no hydrogen 2.880 N/A ARG 121.A NH1 TYR 129.A O no hydrogen 3.171 N/A ARG 121.A NH2 LEU 239.A O no hydrogen 3.392 N/A ASN 130.A ND2 ALA 119.A O no hydrogen 2.899 N/A ASN 130.A ND2 ARG 121.A O no hydrogen 3.016 N/A SER 132.A N ASN 130.A OD1 no hydrogen 2.896 N/A ASN 134.A N SER 132.A OG no hydrogen 2.956 N/A GLU 136.A N ALA 119.A O no hydrogen 3.082 N/A SER 140.A N ASP 143.A OD1 no hydrogen 3.099 N/A SER 140.A OG ASP 143.A OD1 no hydrogen 2.872 N/A LYS 142.A NZ VAL 301.A O no hydrogen 2.892 N/A LYS 142.A NZ THR 304.A O no hydrogen 2.721 N/A ASP 143.A N SER 140.A O no hydrogen 3.202 N/A ASP 143.A N SER 140.A OG no hydrogen 3.343 N/A VAL 145.A N SER 141.A O no hydrogen 3.512 N/A SER 146.A N LYS 142.A O no hydrogen 3.068 N/A CYS 147.A N ASP 143.A O no hydrogen 2.961 N/A CYS 147.A SG ASP 143.A O no hydrogen 3.134 N/A ALA 148.A N LEU 144.A O no hydrogen 3.166 N/A TYR 149.A N VAL 145.A O no hydrogen 2.875 N/A GLN 150.A N SER 146.A O no hydrogen 3.003 N/A GLN 150.A NE2 SER 146.A O no hydrogen 3.327 N/A GLN 150.A NE2 SER 146.A OG no hydrogen 3.021 N/A VAL 151.A N CYS 147.A O no hydrogen 3.193 N/A ALA 152.A N ALA 148.A O no hydrogen 2.912 N/A ARG 153.A N TYR 149.A O no hydrogen 2.860 N/A GLY 154.A N GLN 150.A O no hydrogen 2.988 N/A MET 155.A N VAL 151.A O no hydrogen 2.989 N/A GLU 156.A N ALA 152.A O no hydrogen 2.754 N/A TYR 157.A N ARG 153.A O no hydrogen 3.075 N/A TYR 157.A OH ILE 82.A O no hydrogen 2.748 N/A LEU 158.A N GLY 154.A O no hydrogen 2.936 N/A ALA 159.A N MET 155.A O no hydrogen 2.788 N/A SER 160.A N GLU 156.A O no hydrogen 3.101 N/A SER 160.A OG TYR 157.A O no hydrogen 2.436 N/A LYS 161.A N TYR 157.A O no hydrogen 3.147 N/A LYS 161.A N LEU 158.A O no hydrogen 3.075 N/A LYS 162.A N ALA 159.A O no hydrogen 3.009 N/A CYS 163.A N LEU 158.A O no hydrogen 2.851 N/A CYS 163.A SG PHE 186.A O no hydrogen 3.254 N/A HIS 165.A N ASP 225.A OD1 no hydrogen 2.858 N/A HIS 165.A NE2 ALA 184.A O no hydrogen 2.669 N/A ARG 166.A N ASP 225.A OD2 no hydrogen 3.135 N/A ARG 166.A NH2 LEU 188.A O no hydrogen 2.783 N/A ASP 167.A N HIS 165.A ND1 no hydrogen 3.220 N/A ALA 170.A N GLU 235.A OE1 no hydrogen 3.109 N/A ARG 171.A NH2 ASP 167.A OD1 no hydrogen 3.551 N/A ASN 172.A N ALA 169.A O no hydrogen 2.915 N/A ASN 172.A ND2 ASP 167.A O no hydrogen 2.789 N/A ASN 172.A ND2 ASP 167.A OD1 no hydrogen 3.324 N/A VAL 173.A N ALA 170.A O no hydrogen 3.204 N/A LEU 174.A N LYS 182.A O no hydrogen 2.619 N/A VAL 175.A N GLY 111.A O no hydrogen 2.909 N/A THR 176.A N VAL 180.A O no hydrogen 3.162 N/A ASP 178.A N THR 176.A OG1 no hydrogen 3.356 N/A ASN 179.A N THR 176.A O no hydrogen 2.962 N/A VAL 180.A N THR 176.A OG1 no hydrogen 2.975 N/A MET 181.A N GLN 150.A OE1 no hydrogen 2.838 N/A LYS 182.A N LEU 174.A O no hydrogen 2.776 N/A LYS 182.A NZ LYS 86.A O no hydrogen 2.663 N/A LYS 182.A NZ ILE 88.A O no hydrogen 3.253 N/A LYS 182.A NZ GLU 106.A OE2 no hydrogen 2.872 N/A ILE 183.A N ASN 87.A O no hydrogen 2.990 N/A ALA 184.A N ASN 172.A O no hydrogen 2.693 N/A ARG 190.A NH2 ARG 218.A O no hydrogen 2.995 N/A HIS 193.A N ASP 191.A OD1 no hydrogen 3.214 N/A TYR 197.A OH LEU 215.A O no hydrogen 2.984 N/A TYR 198.A N ASP 196.A OD1 no hydrogen 3.364 N/A THR 201.A N ASN 202.A O no hydrogen 3.029 N/A THR 201.A OG1 ASN 202.A O no hydrogen 2.427 N/A LYS 208.A N LEU 205.A O no hydrogen 3.158 N/A LYS 208.A NZ PRO 243.A O no hydrogen 3.299 N/A LYS 208.A NZ TYR 244.A O no hydrogen 3.060 N/A LYS 208.A NZ VAL 247.A O no hydrogen 2.848 N/A TRP 209.A N PRO 206.A O no hydrogen 3.234 N/A TRP 209.A NE1 GLU 235.A OE1 no hydrogen 2.892 N/A MET 210.A N VAL 207.A O no hydrogen 3.404 N/A GLU 213.A N GLU 213.A OE2 no hydrogen 2.672 N/A LEU 215.A N ALA 211.A O no hydrogen 2.734 N/A PHE 216.A N PRO 212.A O no hydrogen 2.782 N/A ASP 217.A N GLU 213.A O no hydrogen 3.031 N/A ARG 218.A NH1 ALA 214.A O no hydrogen 3.236 N/A ILE 219.A N GLU 213.A O no hydrogen 3.133 N/A THR 221.A N SER 224.A OG no hydrogen 2.814 N/A THR 221.A OG1 GLN 223.A OE1 no hydrogen 2.815 N/A SER 224.A N THR 221.A O no hydrogen 3.193 N/A SER 224.A N THR 221.A OG1 no hydrogen 3.363 N/A SER 224.A OG THR 221.A O no hydrogen 2.438 N/A ASP 225.A N THR 221.A O no hydrogen 3.308 N/A VAL 226.A N HIS 222.A O no hydrogen 2.989 N/A TRP 227.A N GLN 223.A O no hydrogen 3.175 N/A SER 228.A N SER 224.A O no hydrogen 3.178 N/A SER 228.A OG TRP 209.A O no hydrogen 2.727 N/A SER 228.A OG SER 224.A O no hydrogen 3.319 N/A PHE 229.A N ASP 225.A O no hydrogen 2.845 N/A GLY 230.A N VAL 226.A O no hydrogen 3.123 N/A VAL 231.A N TRP 227.A O no hydrogen 3.264 N/A LEU 232.A N SER 228.A O no hydrogen 2.869 N/A LEU 233.A N PHE 229.A O no hydrogen 2.767 N/A TRP 234.A N GLY 230.A O no hydrogen 3.059 N/A GLU 235.A N VAL 231.A O no hydrogen 2.918 N/A ILE 236.A N LEU 232.A O no hydrogen 3.001 N/A PHE 237.A N LEU 233.A O no hydrogen 3.255 N/A THR 238.A OG1 TRP 234.A O no hydrogen 2.748 N/A THR 238.A OG1 GLU 235.A O no hydrogen 3.111 N/A LEU 239.A N ILE 236.A O no hydrogen 2.955 N/A GLY 240.A N GLU 235.A O no hydrogen 2.723 N/A GLY 241.A N THR 238.A OG1 no hydrogen 2.974 N/A VAL 247.A N TYR 244.A O no hydrogen 3.136 N/A LEU 252.A N PRO 248.A O no hydrogen 3.058 N/A PHE 253.A N VAL 249.A O no hydrogen 3.199 N/A LEU 255.A N GLU 251.A O no hydrogen 3.029 N/A LEU 256.A N LEU 252.A O no hydrogen 3.079 N/A LYS 257.A N PHE 253.A O no hydrogen 3.424 N/A GLU 258.A N LYS 254.A O no hydrogen 3.048 N/A GLU 258.A N LEU 255.A O no hydrogen 3.003 N/A GLY 259.A N LEU 256.A O no hydrogen 3.164 N/A HIS 260.A N LEU 255.A O no hydrogen 2.969 N/A ARG 261.A NE TRP 280.A O no hydrogen 2.727 N/A ARG 261.A NH1 LEU 256.A O no hydrogen 3.563 N/A ARG 261.A NH1 HIS 260.A O no hydrogen 2.947 N/A ARG 261.A NH2 TRP 280.A O no hydrogen 2.881 N/A LYS 264.A NZ PRO 265.A O no hydrogen 3.021 N/A LYS 264.A NZ CYS 268.A O no hydrogen 2.863 N/A CYS 268.A SG THR 269.A O no hydrogen 3.354 N/A LEU 272.A N THR 269.A OG1 no hydrogen 3.250 N/A TYR 273.A N THR 269.A O no hydrogen 3.127 N/A TYR 273.A OH MET 262.A O no hydrogen 2.671 N/A MET 274.A N ASN 270.A O no hydrogen 2.964 N/A MET 275.A N GLU 271.A O no hydrogen 3.234 N/A MET 276.A N LEU 272.A O no hydrogen 3.261 N/A ARG 277.A N TYR 273.A O no hydrogen 2.922 N/A ARG 277.A NH1 TYR 273.A OH no hydrogen 3.478 N/A ASP 278.A N MET 274.A O no hydrogen 2.675 N/A CYS 279.A N MET 275.A O no hydrogen 2.956 N/A CYS 279.A SG MET 275.A O no hydrogen 3.187 N/A TRP 280.A N MET 276.A O no hydrogen 2.845 N/A TRP 280.A N ARG 277.A O no hydrogen 3.072 N/A HIS 281.A N ASP 278.A O no hydrogen 3.355 N/A VAL 283.A N HIS 281.A ND1 no hydrogen 3.035 N/A GLN 286.A N VAL 283.A O no hydrogen 2.887 N/A GLN 286.A NE2 SER 285.A OG no hydrogen 3.048 N/A ARG 287.A N PRO 284.A O no hydrogen 3.356 N/A ARG 287.A NE HIS 281.A O no hydrogen 2.859 N/A ARG 287.A NH1 GLU 213.A OE1 no hydrogen 2.483 N/A ARG 287.A NH1 GLN 223.A O no hydrogen 2.992 N/A ARG 287.A NH2 GLU 213.A OE1 no hydrogen 3.057 N/A ARG 287.A NH2 GLU 213.A OE2 no hydrogen 2.812 N/A ARG 287.A NH2 HIS 281.A O no hydrogen 3.321 N/A THR 289.A N GLN 292.A OE1 no hydrogen 2.887 N/A LYS 291.A NZ GLU 295.A OE2 no hydrogen 3.198 N/A GLN 292.A N THR 289.A OG1 no hydrogen 3.322 N/A LEU 293.A N THR 289.A O no hydrogen 2.944 N/A VAL 294.A N PHE 290.A O no hydrogen 2.874 N/A GLU 295.A N LYS 291.A O no hydrogen 3.213 N/A ASP 296.A N GLN 292.A O no hydrogen 2.955 N/A LEU 297.A N LEU 293.A O no hydrogen 2.933 N/A ASP 298.A N VAL 294.A O no hydrogen 2.958 N/A ARG 299.A N GLU 295.A O no hydrogen 3.208 N/A ARG 299.A NH1 GLU 271.A OE2 no hydrogen 2.588 N/A ARG 299.A NH2 ASP 296.A OD1 no hydrogen 3.171 N/A ILE 300.A N ASP 296.A O no hydrogen 2.965 N/A VAL 301.A N LEU 297.A O no hydrogen 2.916 N/A ALA 302.A N ASP 298.A O no hydrogen 3.431 N/A LEU 303.A N ARG 299.A O no hydrogen 3.318 N/A LEU 303.A N ILE 300.A O no hydrogen 3.116 N/A THR 304.A N ILE 300.A O no hydrogen 2.784 N/A THR 304.A N VAL 301.A O no hydrogen 3.293 N/A THR 304.A OG1 ILE 300.A O no hydrogen 2.647 N/A GLN 307.A N SER 305.A OG no hydrogen 2.944 N/A GLN 307.A NE2 ASN 306.A OD1 no hydrogen 2.870 N/A