Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hwk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N ASP 1.A O no hydrogen 3.262 N/A LYS 6.A N PHE 3.A O no hydrogen 3.143 N/A LYS 6.A NZ PHE 37.A O no hydrogen 2.853 N/A ALA 7.A N ASP 40.A OD1 no hydrogen 3.104 N/A ALA 7.A N ASP 40.A OD2 no hydrogen 2.632 N/A ASN 8.A N ASP 40.A OD1 no hydrogen 2.733 N/A ASN 8.A ND2 ASP 40.A O no hydrogen 2.724 N/A TRP 11.A NE1 LYS 41.A O no hydrogen 2.902 N/A ALA 12.A N VAL 9.A O no hydrogen 2.596 N/A LYS 13.A N VAL 9.A O no hydrogen 3.101 N/A ALA 14.A N CYS 10.A O no hydrogen 2.925 N/A VAL 16.A N ALA 12.A O no hydrogen 3.347 N/A VAL 16.A N LYS 13.A O no hydrogen 3.301 N/A LEU 19.A N LEU 15.A O no hydrogen 2.936 N/A LYS 20.A N VAL 16.A O no hydrogen 3.056 N/A THR 21.A N VAL 18.A O no hydrogen 3.191 N/A THR 21.A OG1 VAL 18.A O no hydrogen 2.644 N/A ALA 22.A N LEU 19.A O no hydrogen 2.970 N/A GLY 23.A N LYS 20.A O no hydrogen 2.918 N/A ILE 24.A N LEU 19.A O no hydrogen 2.903 N/A THR 27.A N GLN 30.A OE1 no hydrogen 3.216 N/A THR 28.A OG1 VAL 2.A O no hydrogen 3.148 N/A GLN 30.A N THR 27.A OG1 no hydrogen 3.086 N/A TRP 31.A N THR 27.A O no hydrogen 2.907 N/A ASN 32.A N THR 28.A O no hydrogen 2.904 N/A THR 33.A N GLN 30.A O no hydrogen 3.231 N/A THR 33.A OG1 GLN 30.A O no hydrogen 2.853 N/A THR 33.A OG1 TYR 126.A OH no hydrogen 2.828 N/A VAL 34.A N TRP 31.A O no hydrogen 2.876 N/A PHE 37.A N VAL 34.A O no hydrogen 2.835 N/A GLU 38.A N VAL 34.A O no hydrogen 3.200 N/A THR 39.A N ASP 35.A O no hydrogen 2.938 N/A THR 39.A OG1 ASP 35.A O no hydrogen 3.141 N/A ASP 40.A N PHE 37.A O no hydrogen 3.124 N/A LYS 41.A N TYR 36.A O no hydrogen 2.812 N/A ALA 42.A N ASP 197.A OD2 no hydrogen 2.860 N/A SER 44.A N HIS 43.A ND1 no hydrogen 2.686 N/A GLU 46.A N SER 44.A OG no hydrogen 3.319 N/A VAL 48.A N SER 44.A O no hydrogen 3.126 N/A LEU 49.A N ALA 45.A O no hydrogen 2.908 N/A ASN 50.A N GLU 46.A O no hydrogen 3.014 N/A ASN 50.A ND2 GLU 227.A OE1 no hydrogen 2.719 N/A GLN 51.A N ILE 47.A O no hydrogen 2.944 N/A LEU 52.A N VAL 48.A O no hydrogen 2.837 N/A CYS 53.A N LEU 49.A O no hydrogen 2.898 N/A CYS 53.A SG LEU 59.A O no hydrogen 3.220 N/A VAL 54.A N ASN 50.A O no hydrogen 3.111 N/A ARG 55.A N GLN 51.A O no hydrogen 3.053 N/A ARG 55.A NH1 THR 33.A O no hydrogen 3.153 N/A ARG 55.A NH1 TYR 126.A OH no hydrogen 3.365 N/A PHE 56.A N LEU 52.A O no hydrogen 2.735 N/A PHE 57.A N CYS 53.A O no hydrogen 2.840 N/A GLY 58.A N VAL 54.A O no hydrogen 2.719 N/A ASP 60.A N ASN 136.A OD1 no hydrogen 2.921 N/A LEU 61.A N ASN 50.A OD1 no hydrogen 2.954 N/A ASP 62.A N ASP 60.A OD2 no hydrogen 2.963 N/A SER 63.A N ASP 60.A O no hydrogen 3.065 N/A SER 63.A OG ASP 60.A O no hydrogen 2.893 N/A GLY 64.A N LEU 61.A O no hydrogen 2.770 N/A LEU 65.A N SER 63.A OG no hydrogen 3.206 N/A SER 67.A N GLY 64.A O no hydrogen 2.967 N/A SER 67.A OG GLY 64.A O no hydrogen 2.723 N/A ALA 68.A N GLY 90.A O no hydrogen 2.928 N/A THR 70.A N ALA 68.A O no hydrogen 2.955 N/A THR 70.A OG1 TYR 89.A O no hydrogen 2.408 N/A VAL 71.A N TYR 89.A O no hydrogen 2.830 N/A LEU 73.A N ASN 87.A O no hydrogen 3.085 N/A SER 74.A N ASP 81.A O no hydrogen 2.801 N/A SER 74.A OG SER 83.A O no hydrogen 2.624 N/A ASP 81.A N SER 74.A O no hydrogen 2.865 N/A ASN 82.A ND2 ALA 14.A O no hydrogen 2.858 N/A ASN 82.A ND2 PRO 72.A O no hydrogen 3.120 N/A SER 83.A N ASP 81.A OD1 no hydrogen 2.663 N/A SER 83.A OG ASP 81.A OD1 no hydrogen 2.418 N/A ASN 87.A N SER 85.A OG no hydrogen 3.285 N/A ASN 87.A ND2 GLU 46.A OE2 no hydrogen 2.832 N/A ASN 87.A ND2 LEU 73.A O no hydrogen 3.028 N/A MET 88.A N PRO 86.A O no hydrogen 2.785 N/A TYR 89.A N VAL 71.A O no hydrogen 2.894 N/A TYR 89.A OH GLU 46.A OE2 no hydrogen 2.757 N/A GLY 90.A N PHE 66.A O no hydrogen 2.924 N/A LEU 91.A N THR 21.A OG1 no hydrogen 2.897 N/A ASN 92.A N LEU 65.A O no hydrogen 2.933 N/A ASN 92.A ND2 SER 67.A OG no hydrogen 2.979 N/A VAL 95.A N ASN 92.A OD1 no hydrogen 3.196 N/A VAL 96.A N ASN 92.A O no hydrogen 3.162 N/A ARG 97.A N LYS 93.A O no hydrogen 2.991 N/A GLN 98.A N GLU 94.A O no hydrogen 2.941 N/A LEU 99.A N VAL 95.A O no hydrogen 2.867 N/A SER 100.A N VAL 96.A O no hydrogen 2.830 N/A SER 100.A N ARG 97.A O no hydrogen 3.161 N/A SER 100.A OG VAL 96.A O no hydrogen 3.559 N/A SER 100.A OG ARG 97.A O no hydrogen 2.500 N/A ARG 102.A NH1 GLN 98.A O no hydrogen 3.470 N/A TYR 103.A N LEU 99.A O no hydrogen 2.815 N/A LEU 106.A N TYR 103.A O no hydrogen 2.954 N/A ARG 108.A NH1 GLN 105.A OE1 no hydrogen 2.894 N/A ALA 109.A N GLN 105.A O no hydrogen 3.310 N/A VAL 110.A N LEU 106.A O no hydrogen 3.143 N/A ALA 111.A N PRO 107.A O no hydrogen 3.200 N/A ALA 111.A N ARG 108.A O no hydrogen 3.119 N/A THR 112.A N ARG 108.A O no hydrogen 2.920 N/A THR 112.A N ALA 109.A O no hydrogen 3.239 N/A THR 112.A OG1 ARG 108.A O no hydrogen 3.130 N/A GLY 113.A N ALA 109.A O no hydrogen 2.850 N/A ARG 114.A N ALA 109.A O no hydrogen 3.174 N/A VAL 115.A N ARG 124.A O no hydrogen 2.897 N/A TYR 116.A N PHE 56.A O no hydrogen 2.743 N/A ASP 117.A N THR 122.A O no hydrogen 2.866 N/A MET 118.A N ASN 131.A OD1 no hydrogen 3.044 N/A ASN 119.A N ASP 117.A OD1 no hydrogen 2.869 N/A THR 120.A N ASP 117.A O no hydrogen 3.208 N/A THR 120.A N ASP 117.A OD1 no hydrogen 3.299 N/A THR 120.A OG1 THR 122.A OG1 no hydrogen 3.050 N/A GLY 121.A N ASP 117.A O no hydrogen 2.650 N/A THR 122.A OG1 THR 120.A OG1 no hydrogen 3.050 N/A THR 122.A OG1 LEU 123.A O no hydrogen 3.168 N/A ARG 124.A N VAL 115.A O no hydrogen 2.979 N/A TYR 126.A OH THR 33.A OG1 no hydrogen 2.828 N/A ARG 129.A N ASP 127.A OD2 no hydrogen 2.815 N/A ASN 131.A ND2 VAL 54.A O no hydrogen 3.627 N/A ASN 131.A ND2 ARG 55.A O no hydrogen 3.026 N/A ASN 131.A ND2 TYR 116.A O no hydrogen 2.812 N/A VAL 135.A N GLY 58.A O no hydrogen 2.849 N/A ASN 136.A ND2 ASP 60.A OD2 no hydrogen 2.707 N/A ARG 137.A NE ALA 258.A O no hydrogen 2.682 N/A ARG 137.A NH1 GLU 263.A OE1 no hydrogen 3.508 N/A ARG 137.A NH2 ALA 258.A O no hydrogen 3.207 N/A ARG 137.A NH2 GLU 263.A OE1 no hydrogen 2.760 N/A HIS 141.A ND1 ALA 142.A O no hydrogen 2.775 N/A ALA 142.A N THR 314.A OG1 no hydrogen 3.025 N/A VAL 144.A N HIS 222.A ND1 no hydrogen 3.320 N/A HIS 147.A NE2 GLU 286.A OE1 no hydrogen 2.849 N/A ASN 148.A N GLU 287.A OE1 no hydrogen 2.812 N/A HIS 150.A NE2 GLU 287.A OE2 no hydrogen 2.360 N/A GLN 152.A NE2 GLU 172.A OE2 no hydrogen 3.500 N/A SER 153.A OG SER 283.A O no hydrogen 3.260 N/A SER 153.A OG GLU 289.A OE2 no hydrogen 2.667 N/A ASP 154.A N SER 283.A OG no hydrogen 3.085 N/A SER 156.A OG ASP 154.A OD1 no hydrogen 3.006 N/A SER 156.A OG SER 175.A O no hydrogen 3.241 N/A VAL 159.A N PHE 155.A O no hydrogen 3.041 N/A SER 160.A N SER 156.A O no hydrogen 2.997 N/A SER 160.A OG SER 156.A O no hydrogen 2.962 N/A LYS 161.A N SER 157.A O no hydrogen 3.153 N/A LEU 162.A N VAL 159.A O no hydrogen 3.034 N/A ARG 165.A N ASP 208.A OD2 no hydrogen 2.740 N/A THR 166.A N ASP 208.A OD2 no hydrogen 3.236 N/A VAL 167.A N MET 180.A O no hydrogen 2.731 N/A LEU 168.A N ILE 209.A O no hydrogen 2.927 N/A VAL 169.A N ASP 182.A O no hydrogen 2.872 N/A VAL 170.A N PHE 211.A O no hydrogen 2.668 N/A GLY 171.A N LEU 184.A O no hydrogen 2.874 N/A GLU 172.A N ASN 213.A O no hydrogen 3.002 N/A LYS 179.A N VAL 176.A O no hydrogen 3.373 N/A LYS 179.A NZ LEU 162.A O no hydrogen 2.766 N/A LYS 179.A NZ GLY 164.A O no hydrogen 2.623 N/A MET 180.A N ARG 165.A O no hydrogen 3.203 N/A ASP 182.A N VAL 167.A O no hydrogen 2.737 N/A TRP 183.A N THR 191.A OG1 no hydrogen 2.878 N/A TRP 183.A NE1 GLY 171.A O no hydrogen 2.844 N/A LEU 184.A N VAL 169.A O no hydrogen 2.863 N/A SER 185.A N PHE 192.A O no hydrogen 3.166 N/A SER 185.A OG GLY 171.A O no hydrogen 2.965 N/A ARG 187.A N SER 185.A OG no hydrogen 3.228 N/A ALA 190.A N ARG 187.A O no hydrogen 2.861 N/A THR 191.A N TRP 183.A O no hydrogen 2.929 N/A PHE 192.A N TRP 183.A O no hydrogen 3.120 N/A ARG 193.A NE ASP 186.A O no hydrogen 3.107 N/A ARG 193.A NH2 ASP 186.A O no hydrogen 3.505 N/A ALA 194.A N SER 185.A O no hydrogen 2.985 N/A LEU 198.A N ARG 195.A O no hydrogen 3.232 N/A GLY 199.A N LEU 196.A O no hydrogen 2.756 N/A ILE 200.A N MET 235.A O no hydrogen 3.284 N/A VAL 204.A N PRO 201.A O no hydrogen 3.158 N/A TYR 207.A N HIS 243.A O no hydrogen 2.773 N/A TYR 207.A OH ASP 182.A OD1 no hydrogen 2.411 N/A ASP 208.A N THR 166.A O no hydrogen 3.205 N/A ASP 208.A N THR 166.A OG1 no hydrogen 3.057 N/A ILE 209.A N THR 166.A O no hydrogen 3.051 N/A ILE 210.A N THR 249.A O no hydrogen 2.965 N/A PHE 211.A N LEU 168.A O no hydrogen 2.756 N/A VAL 212.A N VAL 251.A O no hydrogen 2.704 N/A ASN 213.A N VAL 170.A O no hydrogen 2.716 N/A ASN 213.A ND2 GLU 172.A O no hydrogen 2.821 N/A ARG 215.A NE GLU 172.A OE1 no hydrogen 3.375 N/A ARG 215.A NH2 ASN 213.A OD1 no hydrogen 3.371 N/A THR 216.A N TYR 255.A OH no hydrogen 2.960 N/A THR 216.A OG1 HIS 229.A ND1 no hydrogen 2.668 N/A LYS 219.A N GLN 224.A OE1 no hydrogen 2.851 N/A LYS 219.A NZ ASP 35.A OD1 no hydrogen 3.374 N/A LYS 219.A NZ ASP 35.A OD2 no hydrogen 3.201 N/A TYR 220.A N GLN 224.A OE1 no hydrogen 3.313 N/A HIS 222.A NE2 TYR 255.A O no hydrogen 2.669 N/A TYR 223.A N HIS 221.A ND1 no hydrogen 2.796 N/A GLN 224.A NE2 PRO 217.A O no hydrogen 3.282 N/A GLN 224.A NE2 ASP 228.A OD1 no hydrogen 2.751 N/A GLN 225.A N HIS 221.A O no hydrogen 3.037 N/A GLN 225.A NE2 THR 216.A O no hydrogen 2.711 N/A GLN 225.A NE2 GLU 286.A OE1 no hydrogen 2.903 N/A CYS 226.A N HIS 222.A O no hydrogen 2.892 N/A CYS 226.A SG TYR 255.A O no hydrogen 3.823 N/A CYS 226.A SG ASP 259.A OD2 no hydrogen 3.357 N/A GLU 227.A N TYR 223.A O no hydrogen 2.943 N/A ASP 228.A N GLN 224.A O no hydrogen 3.006 N/A HIS 229.A N GLN 225.A O no hydrogen 3.146 N/A HIS 229.A N CYS 226.A O no hydrogen 3.224 N/A HIS 229.A ND1 THR 216.A OG1 no hydrogen 2.668 N/A HIS 229.A NE2 ILE 253.A O no hydrogen 3.052 N/A ALA 230.A N GLU 227.A O no hydrogen 3.320 N/A LYS 232.A NZ ARG 215.A O no hydrogen 3.309 N/A LYS 232.A NZ THR 216.A OG1 no hydrogen 3.015 N/A LEU 233.A N HIS 229.A O no hydrogen 2.954 N/A SER 234.A N ALA 230.A O no hydrogen 2.939 N/A MET 235.A N ILE 231.A O no hydrogen 2.897 N/A LEU 236.A N LYS 232.A O no hydrogen 2.915 N/A THR 237.A OG1 SER 252.A OG no hydrogen 2.896 N/A LYS 238.A N LEU 233.A O no hydrogen 2.781 N/A ALA 240.A N LEU 236.A O no hydrogen 2.857 N/A ALA 240.A N THR 237.A O no hydrogen 3.224 N/A CYS 241.A N LYS 238.A O no hydrogen 3.215 N/A LEU 242.A N LYS 239.A O no hydrogen 2.994 N/A HIS 243.A N ALA 240.A O no hydrogen 2.895 N/A HIS 243.A ND1 PRO 205.A O no hydrogen 3.017 N/A ASN 245.A N TYR 207.A O no hydrogen 2.795 N/A ASN 245.A ND2 ASP 208.A OD1 no hydrogen 2.726 N/A GLY 247.A N TYR 297.A O no hydrogen 2.797 N/A GLY 248.A N ASN 245.A O no hydrogen 2.785 N/A THR 249.A N ASP 208.A O no hydrogen 2.749 N/A CYS 250.A N PHE 294.A O no hydrogen 2.767 N/A VAL 251.A N ILE 210.A O no hydrogen 2.774 N/A SER 252.A N PHE 292.A O no hydrogen 2.989 N/A SER 252.A OG THR 237.A OG1 no hydrogen 2.896 N/A SER 252.A OG ILE 253.A O no hydrogen 3.017 N/A ILE 253.A N VAL 212.A O no hydrogen 3.230 N/A TYR 257.A N HIS 141.A NE2 no hydrogen 2.992 N/A TYR 257.A OH SER 310.A OG no hydrogen 3.112 N/A ARG 260.A NH1 ASP 62.A OD1 no hydrogen 3.329 N/A SER 262.A N ASP 259.A OD1 no hydrogen 2.927 N/A SER 262.A OG ASP 259.A OD1 no hydrogen 2.999 N/A SER 262.A OG ASP 259.A OD2 no hydrogen 2.881 N/A GLU 263.A N ASP 259.A O no hydrogen 3.168 N/A SER 264.A N ARG 260.A O no hydrogen 2.957 N/A ILE 265.A N ALA 261.A O no hydrogen 2.758 N/A ILE 266.A N SER 262.A O no hydrogen 2.850 N/A GLY 267.A N GLU 263.A O no hydrogen 3.210 N/A ALA 268.A N SER 264.A O no hydrogen 3.019 N/A ILE 269.A N ILE 265.A O no hydrogen 2.952 N/A ALA 270.A N ILE 266.A O no hydrogen 2.725 N/A ARG 271.A N GLY 267.A O no hydrogen 3.128 N/A GLN 272.A N ILE 269.A O no hydrogen 3.069 N/A PHE 273.A N ALA 270.A O no hydrogen 3.279 N/A LYS 274.A N GLY 296.A O no hydrogen 2.666 N/A PHE 275.A N ILE 295.A O no hydrogen 3.040 N/A SER 276.A OG ALA 270.A O no hydrogen 3.427 N/A ARG 277.A N VAL 293.A O no hydrogen 2.798 N/A CYS 279.A N LEU 291.A O no hydrogen 2.978 N/A LYS 280.A NZ SER 284.A O no hydrogen 2.461 N/A LYS 280.A NZ SER 284.A OG no hydrogen 2.929 N/A LYS 280.A NZ GLU 286.A O no hydrogen 2.696 N/A SER 283.A OG ASP 154.A O no hydrogen 2.637 N/A SER 284.A N PRO 281.A O no hydrogen 2.687 N/A SER 284.A OG GLU 289.A O no hydrogen 3.410 N/A SER 284.A OG GLU 289.A OE2 no hydrogen 2.587 N/A LEU 285.A N SER 153.A OG no hydrogen 3.417 N/A THR 288.A OG1 GLN 225.A OE1 no hydrogen 2.563 N/A GLU 289.A N GLU 286.A O no hydrogen 3.226 N/A VAL 290.A N GLY 254.A O no hydrogen 2.893 N/A LEU 291.A N CYS 279.A O no hydrogen 2.763 N/A PHE 292.A N SER 252.A O no hydrogen 2.852 N/A VAL 293.A N ARG 277.A O no hydrogen 2.846 N/A PHE 294.A N CYS 250.A O no hydrogen 2.880 N/A ILE 295.A N PHE 275.A O no hydrogen 3.100 N/A GLY 296.A N GLY 248.A O no hydrogen 3.132 N/A TYR 297.A N GLY 248.A O no hydrogen 3.072 N/A ASP 298.A N GLN 272.A O no hydrogen 3.087 N/A ARG 299.A N GLN 272.A O no hydrogen 2.953 N/A LYS 300.A N ASP 298.A OD1 no hydrogen 3.400 N/A ARG 302.A NH1 ASP 298.A OD1 no hydrogen 2.856 N/A ARG 302.A NH2 ASP 298.A OD2 no hydrogen 2.848 N/A SER 310.A N PRO 306.A O no hydrogen 3.451 N/A SER 310.A OG PRO 140.A O no hydrogen 3.450 N/A SER 310.A OG TYR 257.A OH no hydrogen 3.112 N/A SER 310.A OG PRO 306.A O no hydrogen 3.228 N/A SER 311.A N TYR 307.A O no hydrogen 2.850 N/A SER 311.A OG TYR 307.A O no hydrogen 2.610 N/A THR 312.A N LYS 308.A O no hydrogen 3.052 N/A THR 312.A OG1 LYS 308.A O no hydrogen 2.994 N/A LEU 313.A N LEU 309.A O no hydrogen 2.929 N/A THR 314.A N SER 310.A O no hydrogen 2.800 N/A THR 314.A OG1 SER 310.A O no hydrogen 3.015 N/A ASN 315.A N SER 311.A O no hydrogen 2.730 N/A ILE 316.A N THR 312.A O no hydrogen 2.871 N/A TYR 317.A N LEU 313.A O no hydrogen 2.780 N/A TYR 317.A OH THR 288.A O no hydrogen 2.786 N/A THR 318.A N THR 314.A O no hydrogen 3.030 N/A THR 318.A OG1 THR 314.A O no hydrogen 2.827 N/A THR 318.A OG1 ASN 315.A O no hydrogen 3.394 N/A THR 318.A OG1 SER 320.A OG no hydrogen 3.221 N/A GLY 319.A N ILE 316.A O no hydrogen 2.985 N/A SER 320.A N ASN 315.A O no hydrogen 2.708 N/A SER 320.A OG THR 318.A OG1 no hydrogen 3.221 N/A