Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w2x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 8.A N ASP 106.A O no hydrogen 2.737 N/A SER 13.A N LEU 9.A O no hydrogen 3.508 N/A SER 13.A OG TYR 15.A O no hydrogen 3.222 N/A TRP 23.A N ASP 20.A O no hydrogen 2.765 N/A GLU 24.A N ASP 20.A O no hydrogen 2.929 N/A PHE 25.A N ALA 102.A O no hydrogen 2.786 N/A ARG 27.A NE GLN 105.A O no hydrogen 2.851 N/A ARG 27.A NH1 PRO 108.A O no hydrogen 3.044 N/A ARG 27.A NH2 GLN 105.A O no hydrogen 2.893 N/A ARG 27.A NH2 PRO 108.A O no hydrogen 2.706 N/A LYS 29.A N PRO 26.A O no hydrogen 3.219 N/A LEU 30.A N ARG 27.A O no hydrogen 3.103 N/A THR 31.A N GLU 48.A O no hydrogen 2.853 N/A THR 31.A OG1 GLN 5.A OE1 no hydrogen 2.979 N/A GLY 33.A N MET 46.A O no hydrogen 2.734 N/A LEU 36.A N VAL 44.A O no hydrogen 2.919 N/A GLY 39.A N GLU 38.A OE2 no hydrogen 2.998 N/A CYS 40.A SG GLY 39.A O no hydrogen 3.213 N/A CYS 40.A SG PHE 41.A O no hydrogen 3.841 N/A GLN 43.A N MET 67.A O no hydrogen 2.891 N/A VAL 45.A N VAL 65.A O no hydrogen 2.996 N/A MET 46.A N LYS 34.A O no hydrogen 2.933 N/A ALA 47.A N VAL 63.A O no hydrogen 2.792 N/A GLU 48.A N THR 31.A O no hydrogen 2.916 N/A ALA 49.A N VAL 61.A O no hydrogen 2.813 N/A VAL 50.A N LYS 29.A O no hydrogen 3.025 N/A GLY 51.A N GLU 59.A O no hydrogen 3.362 N/A LYS 54.A NZ ILE 52.A O no hydrogen 3.423 N/A ASP 55.A N ASP 53.A OD1 no hydrogen 3.232 N/A LYS 56.A N ASP 53.A O no hydrogen 3.214 N/A GLU 59.A N LYS 56.A O no hydrogen 3.243 N/A VAL 61.A N ALA 49.A O no hydrogen 2.800 N/A THR 62.A OG1 GLU 48.A OE1 no hydrogen 3.250 N/A THR 62.A OG1 GLU 48.A OE2 no hydrogen 2.830 N/A VAL 63.A N ALA 47.A O no hydrogen 2.766 N/A ALA 64.A N VAL 113.A O no hydrogen 3.059 N/A VAL 65.A N VAL 45.A O no hydrogen 2.777 N/A LYS 66.A N VAL 111.A O no hydrogen 2.843 N/A LYS 66.A NZ GLU 83.A OE1 no hydrogen 2.948 N/A MET 67.A N GLN 43.A O no hydrogen 2.814 N/A LYS 69.A NZ GLU 38.A OE2 no hydrogen 3.478 N/A ALA 72.A N LYS 69.A O no hydrogen 3.328 N/A THR 73.A N ASP 76.A OD2 no hydrogen 3.022 N/A LYS 75.A NZ ASP 79.A OD2 no hydrogen 2.869 N/A LYS 75.A NZ VAL 195.A O no hydrogen 2.889 N/A LEU 77.A N THR 73.A O no hydrogen 3.182 N/A SER 78.A N GLU 74.A O no hydrogen 3.065 N/A SER 78.A OG GLU 74.A O no hydrogen 3.420 N/A ASP 79.A N LYS 75.A O no hydrogen 2.755 N/A LEU 80.A N ASP 76.A O no hydrogen 3.112 N/A VAL 81.A N LEU 77.A O no hydrogen 2.987 N/A SER 82.A N SER 78.A O no hydrogen 2.951 N/A SER 82.A OG SER 78.A O no hydrogen 2.980 N/A GLU 83.A N ASP 79.A O no hydrogen 3.135 N/A MET 84.A N LEU 80.A O no hydrogen 3.065 N/A GLU 85.A N VAL 81.A O no hydrogen 2.953 N/A MET 86.A N SER 82.A O no hydrogen 2.938 N/A MET 87.A N GLU 83.A O no hydrogen 3.199 N/A LYS 88.A N MET 84.A O no hydrogen 3.204 N/A LYS 88.A NZ GLU 85.A OE2 no hydrogen 3.262 N/A MET 89.A N GLU 85.A O no hydrogen 3.301 N/A ILE 90.A N MET 86.A O no hydrogen 2.816 N/A GLY 91.A N MET 87.A O no hydrogen 3.056 N/A HIS 93.A N ASN 98.A OD1 no hydrogen 3.321 N/A ASN 95.A N HIS 93.A ND1 no hydrogen 3.188 N/A ASN 95.A ND2 GLN 154.A OE1 no hydrogen 3.243 N/A ASN 95.A ND2 MET 185.A O no hydrogen 2.922 N/A ILE 96.A N HIS 93.A O no hydrogen 3.489 N/A ILE 97.A N ILE 187.A O no hydrogen 2.924 N/A ASN 98.A N GLU 114.A OE1 no hydrogen 2.865 N/A ASN 98.A ND2 HIS 93.A O no hydrogen 2.886 N/A ASN 98.A ND2 GLU 114.A OE1 no hydrogen 2.930 N/A LEU 100.A N ILE 112.A O no hydrogen 2.853 N/A GLY 101.A N ILE 112.A O no hydrogen 3.324 N/A ALA 102.A N TRP 23.A O no hydrogen 3.092 N/A CYS 103.A N TYR 110.A O no hydrogen 2.801 N/A CYS 103.A SG PHE 25.A O no hydrogen 3.361 N/A THR 104.A N GLU 24.A OE1 no hydrogen 3.414 N/A THR 104.A N GLU 24.A OE2 no hydrogen 3.158 N/A THR 104.A OG1 GLU 24.A OE1 no hydrogen 2.570 N/A GLN 105.A NE2 LEU 17.A O no hydrogen 2.817 N/A GLN 105.A NE2 THR 104.A OG1 no hydrogen 3.089 N/A LEU 109.A N TYR 15.A OH no hydrogen 2.851 N/A TYR 110.A N CYS 103.A O no hydrogen 3.012 N/A VAL 111.A N LYS 66.A O no hydrogen 2.975 N/A ILE 112.A N GLY 101.A O no hydrogen 2.958 N/A VAL 113.A N ALA 64.A O no hydrogen 2.891 N/A GLU 114.A N ASN 98.A O no hydrogen 3.239 N/A SER 117.A OG GLU 181.A OE1 no hydrogen 2.685 N/A LYS 118.A N VAL 179.A O no hydrogen 3.015 N/A LYS 118.A NZ GLU 141.A OE1 no hydrogen 3.267 N/A LYS 118.A NZ ASN 183.A OD1 no hydrogen 3.054 N/A GLY 119.A N ALA 116.A O no hydrogen 3.261 N/A LEU 121.A N VAL 177.A O no hydrogen 3.071 N/A ARG 122.A NE GLU 123.A OE2 no hydrogen 3.185 N/A GLU 123.A N ASN 120.A OD1 no hydrogen 3.149 N/A TYR 124.A N ASN 120.A O no hydrogen 2.936 N/A TYR 124.A OH ASN 183.A OD1 no hydrogen 2.674 N/A LEU 125.A N LEU 121.A O no hydrogen 2.795 N/A ARG 126.A N ARG 122.A O no hydrogen 3.021 N/A ARG 126.A NE GLY 245.A O no hydrogen 3.012 N/A ARG 126.A NH2 GLY 245.A O no hydrogen 3.166 N/A ALA 127.A N GLU 123.A O no hydrogen 3.208 N/A ARG 128.A N LEU 125.A O no hydrogen 2.891 N/A ARG 128.A NH1 TYR 124.A O no hydrogen 3.049 N/A ARG 128.A NH2 GLU 141.A OE2 no hydrogen 3.364 N/A ARG 129.A N ARG 126.A O no hydrogen 3.413 N/A ARG 129.A NE LEU 244.A O no hydrogen 2.739 N/A ARG 129.A NH1 GLU 134.A O no hydrogen 3.027 N/A ARG 129.A NH2 THR 243.A O no hydrogen 3.207 N/A ARG 129.A NH2 LEU 244.A O no hydrogen 2.975 N/A SER 136.A OG TYR 135.A O no hydrogen 2.735 N/A GLU 141.A N VAL 138.A O no hydrogen 3.339 N/A GLN 142.A N PRO 139.A O no hydrogen 3.363 N/A MET 143.A N ARG 128.A O no hydrogen 3.175 N/A THR 144.A N ASP 147.A OD2 no hydrogen 3.061 N/A ASP 147.A N THR 144.A OG1 no hydrogen 3.315 N/A LEU 148.A N THR 144.A O no hydrogen 3.159 N/A VAL 149.A N PHE 145.A O no hydrogen 2.947 N/A SER 150.A N LYS 146.A O no hydrogen 2.848 N/A CYS 151.A N ASP 147.A O no hydrogen 2.867 N/A THR 152.A N LEU 148.A O no hydrogen 3.072 N/A THR 152.A OG1 LEU 148.A O no hydrogen 2.715 N/A TYR 153.A N VAL 149.A O no hydrogen 2.805 N/A GLN 154.A N SER 150.A O no hydrogen 2.984 N/A GLN 154.A NE2 SER 150.A O no hydrogen 3.595 N/A LEU 155.A N CYS 151.A O no hydrogen 3.323 N/A ALA 156.A N THR 152.A O no hydrogen 3.065 N/A ARG 157.A N TYR 153.A O no hydrogen 2.994 N/A GLY 158.A N GLN 154.A O no hydrogen 2.991 N/A MET 159.A N LEU 155.A O no hydrogen 3.011 N/A GLU 160.A N ALA 156.A O no hydrogen 2.858 N/A TYR 161.A N ARG 157.A O no hydrogen 3.116 N/A TYR 161.A OH ILE 90.A O no hydrogen 2.737 N/A LEU 162.A N GLY 158.A O no hydrogen 3.084 N/A ALA 163.A N MET 159.A O no hydrogen 2.889 N/A SER 164.A N GLU 160.A O no hydrogen 3.028 N/A SER 164.A OG GLU 160.A O no hydrogen 3.493 N/A SER 164.A OG TYR 161.A O no hydrogen 2.551 N/A GLN 165.A N TYR 161.A O no hydrogen 2.999 N/A GLN 165.A N LEU 162.A O no hydrogen 3.127 N/A LYS 166.A N ALA 163.A O no hydrogen 3.083 N/A CYS 167.A N LEU 162.A O no hydrogen 2.907 N/A CYS 167.A SG PHE 190.A O no hydrogen 3.142 N/A HIS 169.A N ASP 230.A OD2 no hydrogen 2.885 N/A HIS 169.A NE2 ALA 188.A O no hydrogen 2.658 N/A ARG 170.A N ASP 230.A OD1 no hydrogen 3.061 N/A ASP 171.A N HIS 169.A ND1 no hydrogen 3.240 N/A ALA 174.A N GLU 240.A OE1 no hydrogen 3.060 N/A ARG 175.A NH1 ASN 207.A O no hydrogen 2.966 N/A ASN 176.A N ALA 173.A O no hydrogen 2.926 N/A ASN 176.A ND2 ASP 171.A O no hydrogen 2.721 N/A VAL 177.A N ALA 174.A O no hydrogen 3.186 N/A LEU 178.A N LYS 186.A O no hydrogen 2.804 N/A VAL 179.A N GLY 119.A O no hydrogen 2.820 N/A THR 180.A N VAL 184.A O no hydrogen 3.128 N/A ASN 183.A N THR 180.A O no hydrogen 2.897 N/A VAL 184.A N THR 180.A OG1 no hydrogen 3.210 N/A MET 185.A N GLN 154.A OE1 no hydrogen 3.004 N/A LYS 186.A N LEU 178.A O no hydrogen 2.869 N/A LYS 186.A NZ LYS 94.A O no hydrogen 2.747 N/A LYS 186.A NZ ILE 96.A O no hydrogen 3.366 N/A LYS 186.A NZ GLU 114.A OE1 no hydrogen 2.987 N/A LYS 186.A NZ GLU 114.A OE2 no hydrogen 3.110 N/A ILE 187.A N ASN 95.A O no hydrogen 3.089 N/A ALA 188.A N ASN 176.A O no hydrogen 2.770 N/A THR 205.A N ARG 209.A O no hydrogen 2.949 N/A THR 206.A N THR 205.A OG1 no hydrogen 2.770 N/A GLY 208.A N THR 205.A O no hydrogen 3.205 N/A ARG 209.A NH2 ASP 171.A OD1 no hydrogen 2.596 N/A ARG 209.A NH2 ASP 171.A OD2 no hydrogen 3.554 N/A LYS 213.A N LEU 210.A O no hydrogen 3.026 N/A LYS 213.A NZ TYR 249.A O no hydrogen 2.764 N/A LYS 213.A NZ ILE 252.A O no hydrogen 3.115 N/A TRP 214.A N PRO 211.A O no hydrogen 3.164 N/A TRP 214.A NE1 GLU 240.A OE1 no hydrogen 3.011 N/A MET 215.A N VAL 212.A O no hydrogen 3.098 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.920 N/A ALA 219.A N ALA 216.A O no hydrogen 3.005 N/A LEU 220.A N ALA 216.A O no hydrogen 3.166 N/A PHE 221.A N PRO 217.A O no hydrogen 3.093 N/A ASP 222.A N GLU 218.A O no hydrogen 3.091 N/A VAL 224.A N GLU 218.A O no hydrogen 3.068 N/A THR 226.A N SER 229.A OG no hydrogen 3.095 N/A GLN 228.A N THR 226.A OG1 no hydrogen 3.158 N/A SER 229.A N THR 226.A OG1 no hydrogen 3.255 N/A SER 229.A OG THR 226.A O no hydrogen 2.806 N/A ASP 230.A N THR 226.A O no hydrogen 3.157 N/A VAL 231.A N HIS 227.A O no hydrogen 3.040 N/A TRP 232.A N GLN 228.A O no hydrogen 3.281 N/A SER 233.A N SER 229.A O no hydrogen 3.433 N/A SER 233.A OG TRP 214.A O no hydrogen 2.710 N/A SER 233.A OG SER 229.A O no hydrogen 3.344 N/A PHE 234.A N ASP 230.A O no hydrogen 2.904 N/A GLY 235.A N VAL 231.A O no hydrogen 2.982 N/A VAL 236.A N TRP 232.A O no hydrogen 3.239 N/A LEU 237.A N SER 233.A O no hydrogen 2.861 N/A MET 238.A N PHE 234.A O no hydrogen 2.833 N/A TRP 239.A N GLY 235.A O no hydrogen 3.125 N/A TRP 239.A NE1 ASP 268.A O no hydrogen 3.176 N/A GLU 240.A N VAL 236.A O no hydrogen 3.039 N/A ILE 241.A N LEU 237.A O no hydrogen 3.058 N/A PHE 242.A N MET 238.A O no hydrogen 3.074 N/A THR 243.A N TRP 239.A O no hydrogen 2.957 N/A THR 243.A OG1 TRP 239.A O no hydrogen 2.731 N/A THR 243.A OG1 GLU 240.A O no hydrogen 3.033 N/A LEU 244.A N ILE 241.A O no hydrogen 3.019 N/A GLY 245.A N GLU 240.A O no hydrogen 2.757 N/A GLY 246.A N THR 243.A OG1 no hydrogen 3.119 N/A ILE 252.A N TYR 249.A O no hydrogen 3.250 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.898 N/A LEU 257.A N PRO 253.A O no hydrogen 3.222 N/A LEU 260.A N GLU 256.A O no hydrogen 2.830 N/A LEU 261.A N LEU 257.A O no hydrogen 2.929 N/A LYS 262.A N PHE 258.A O no hydrogen 3.034 N/A GLU 263.A N LYS 259.A O no hydrogen 3.061 N/A GLY 264.A N LEU 261.A O no hydrogen 3.101 N/A HIS 265.A N LEU 260.A O no hydrogen 3.099 N/A ARG 266.A NE TRP 285.A O no hydrogen 2.915 N/A ARG 266.A NH1 LEU 261.A O no hydrogen 2.808 N/A ARG 266.A NH2 TRP 285.A O no hydrogen 2.613 N/A LYS 269.A NZ CYS 273.A O no hydrogen 3.092 N/A CYS 273.A N PRO 270.A O no hydrogen 3.230 N/A CYS 273.A SG THR 274.A O no hydrogen 3.548 N/A LEU 277.A N THR 274.A OG1 no hydrogen 3.264 N/A TYR 278.A N THR 274.A O no hydrogen 2.964 N/A TYR 278.A OH MET 267.A O no hydrogen 2.675 N/A MET 279.A N ASN 275.A O no hydrogen 3.058 N/A MET 280.A N GLU 276.A O no hydrogen 3.316 N/A MET 281.A N LEU 277.A O no hydrogen 3.170 N/A ARG 282.A N TYR 278.A O no hydrogen 2.915 N/A ARG 282.A NH1 TYR 278.A OH no hydrogen 3.007 N/A ASP 283.A N MET 279.A O no hydrogen 3.016 N/A CYS 284.A N MET 280.A O no hydrogen 3.175 N/A CYS 284.A SG MET 280.A O no hydrogen 3.342 N/A TRP 285.A N ARG 282.A O no hydrogen 3.170 N/A HIS 286.A N ASP 283.A O no hydrogen 3.327 N/A GLN 291.A N VAL 288.A O no hydrogen 3.138 N/A ARG 292.A N PRO 289.A O no hydrogen 3.277 N/A ARG 292.A NE HIS 286.A O no hydrogen 2.833 N/A ARG 292.A NH1 GLU 218.A OE1 no hydrogen 3.490 N/A ARG 292.A NH1 GLU 218.A OE2 no hydrogen 2.761 N/A ARG 292.A NH1 GLN 228.A O no hydrogen 3.055 N/A ARG 292.A NH2 GLU 218.A OE1 no hydrogen 2.818 N/A ARG 292.A NH2 HIS 286.A O no hydrogen 3.265 N/A THR 294.A N GLN 297.A OE1 no hydrogen 3.005 N/A THR 294.A OG1 GLN 297.A OE1 no hydrogen 3.311 N/A GLN 297.A N THR 294.A OG1 no hydrogen 3.411 N/A LEU 298.A N THR 294.A O no hydrogen 3.074 N/A VAL 299.A N PHE 295.A O no hydrogen 2.897 N/A GLU 300.A N LYS 296.A O no hydrogen 3.320 N/A ASP 301.A N GLN 297.A O no hydrogen 2.966 N/A LEU 302.A N LEU 298.A O no hydrogen 2.912 N/A ASP 303.A N VAL 299.A O no hydrogen 2.800 N/A ARG 304.A N GLU 300.A O no hydrogen 3.188 N/A ARG 304.A NH1 GLU 276.A OE1 no hydrogen 2.895 N/A ARG 304.A NH2 GLU 276.A OE1 no hydrogen 3.376 N/A ILE 305.A N ASP 301.A O no hydrogen 3.210 N/A LEU 306.A N LEU 302.A O no hydrogen 3.024 N/A THR 307.A N ASP 303.A O no hydrogen 3.217 N/A THR 307.A OG1 ASP 303.A O no hydrogen 3.104 N/A THR 307.A OG1 ARG 304.A O no hydrogen 2.613 N/A LEU 308.A N ARG 304.A O no hydrogen 3.189 N/A THR 309.A N ILE 305.A O no hydrogen 2.974 N/A THR 309.A OG1 ILE 305.A O no hydrogen 3.380 N/A THR 309.A OG1 LEU 306.A O no hydrogen 3.124 N/A THR 310.A N LEU 306.A O no hydrogen 3.433 N/A THR 310.A OG1 LEU 306.A O no hydrogen 3.118 N/A THR 310.A OG1 THR 307.A O no hydrogen 3.091 N/A