Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1sqi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 8.A N GLU 94.A O no hydrogen 3.414 N/A ARG 8.A NE GLU 215.A OE1 no hydrogen 3.249 N/A HIS 13.A N ALA 90.A O no hydrogen 2.714 N/A HIS 13.A ND1 SER 14.A OG no hydrogen 3.098 N/A SER 14.A OG HIS 13.A ND1 no hydrogen 3.098 N/A VAL 15.A N VAL 61.A O no hydrogen 2.985 N/A THR 16.A N ASP 88.A O no hydrogen 2.775 N/A PHE 17.A N VAL 63.A O no hydrogen 2.675 N/A TRP 18.A N GLY 85.A O no hydrogen 2.920 N/A VAL 19.A N CYS 65.A O no hydrogen 2.780 N/A GLY 20.A N ASP 84.A OD1 no hydrogen 2.766 N/A ALA 22.A N SER 66.A OG no hydrogen 2.892 N/A GLN 24.A N ASN 21.A OD1 no hydrogen 3.356 N/A ALA 25.A N ASN 21.A O no hydrogen 2.855 N/A ALA 26.A N ALA 22.A O no hydrogen 2.796 N/A SER 27.A N LYS 23.A O no hydrogen 3.056 N/A PHE 28.A N GLN 24.A O no hydrogen 2.941 N/A TYR 29.A N ALA 25.A O no hydrogen 2.999 N/A CYS 30.A N ALA 26.A O no hydrogen 3.038 N/A CYS 30.A SG ALA 26.A O no hydrogen 3.150 N/A CYS 30.A SG PHE 35.A O no hydrogen 3.518 N/A ASN 31.A N SER 27.A O no hydrogen 2.967 N/A ASN 31.A ND2 SER 27.A O no hydrogen 2.906 N/A ASN 31.A ND2 ASP 160.A OD2 no hydrogen 2.881 N/A LYS 32.A N PHE 28.A O no hydrogen 2.869 N/A LYS 32.A NZ ARG 261.A O no hydrogen 2.698 N/A MET 33.A N TYR 29.A O no hydrogen 2.997 N/A GLY 34.A N CYS 30.A O no hydrogen 3.096 N/A PHE 35.A N TYR 29.A O no hydrogen 3.339 N/A GLU 36.A N LYS 56.A O no hydrogen 2.794 N/A LEU 38.A N VAL 54.A O no hydrogen 2.612 N/A ALA 39.A N VAL 54.A O no hydrogen 3.032 N/A TYR 40.A N GLU 154.A O no hydrogen 2.751 N/A TYR 40.A OH GLU 44.A OE2 no hydrogen 2.530 N/A LYS 41.A N SER 52.A O no hydrogen 2.939 N/A GLY 42.A N THR 45.A OG1 no hydrogen 3.156 N/A GLU 44.A N GLU 44.A OE2 no hydrogen 2.682 N/A THR 45.A N GLY 42.A O no hydrogen 2.944 N/A THR 45.A OG1 GLY 42.A O no hydrogen 3.138 N/A GLY 46.A N LEU 43.A O no hydrogen 3.224 N/A SER 47.A N GLY 42.A O no hydrogen 3.032 N/A SER 47.A OG VAL 50.A O no hydrogen 2.723 N/A VAL 51.A N SER 66.A O no hydrogen 3.004 N/A SER 52.A N LYS 41.A O no hydrogen 2.602 N/A HIS 53.A N LEU 64.A O no hydrogen 2.853 N/A VAL 54.A N ALA 39.A O no hydrogen 2.752 N/A ILE 55.A N PHE 62.A O no hydrogen 2.905 N/A LYS 56.A N GLU 36.A O no hydrogen 2.719 N/A GLN 57.A N ILE 60.A O no hydrogen 2.918 N/A LYS 59.A N GLU 172.A O no hydrogen 2.527 N/A ILE 60.A N GLN 57.A O no hydrogen 2.740 N/A PHE 62.A N ILE 55.A O no hydrogen 2.881 N/A VAL 63.A N VAL 15.A O no hydrogen 2.916 N/A LEU 64.A N HIS 53.A O no hydrogen 2.815 N/A CYS 65.A N PHE 17.A O no hydrogen 2.863 N/A CYS 65.A SG SER 52.A OG no hydrogen 3.130 N/A SER 66.A N VAL 51.A O no hydrogen 3.175 N/A SER 66.A OG VAL 19.A O no hydrogen 2.721 N/A LEU 68.A N GLU 49.A O no hydrogen 2.691 N/A ASN 69.A ND2 ARG 48.A O no hydrogen 3.640 N/A MET 75.A N ASN 72.A OD1 no hydrogen 2.715 N/A GLY 76.A N ASN 72.A O no hydrogen 2.893 N/A ASP 77.A N LYS 73.A O no hydrogen 2.879 N/A HIS 78.A N GLU 74.A O no hydrogen 3.095 N/A LEU 79.A N MET 75.A O no hydrogen 2.938 N/A VAL 80.A N GLY 76.A O no hydrogen 2.947 N/A LYS 81.A N ASP 77.A O no hydrogen 2.826 N/A LYS 81.A NZ ASP 134.A OD1 no hydrogen 2.931 N/A HIS 82.A N HIS 78.A O no hydrogen 2.846 N/A HIS 82.A ND1 HIS 78.A O no hydrogen 3.063 N/A GLY 83.A N LEU 79.A O no hydrogen 2.865 N/A GLY 85.A N TRP 18.A O no hydrogen 3.334 N/A LYS 87.A N THR 16.A O no hydrogen 2.826 N/A LYS 87.A NZ GLU 74.A OE2 no hydrogen 3.483 N/A LYS 87.A NZ ASP 134.A O no hydrogen 3.187 N/A ASP 88.A N THR 16.A O no hydrogen 3.157 N/A ILE 89.A N THR 136.A O no hydrogen 3.104 N/A ALA 90.A N SER 14.A O no hydrogen 2.783 N/A PHE 91.A N THR 138.A O no hydrogen 2.985 N/A GLU 92.A N HIS 11.A O no hydrogen 2.901 N/A VAL 93.A N VAL 140.A O no hydrogen 2.818 N/A GLU 94.A N ARG 8.A O no hydrogen 3.000 N/A ASP 95.A N GLU 141.A OE2 no hydrogen 2.837 N/A CYS 96.A N GLU 141.A OE1 no hydrogen 2.658 N/A HIS 98.A N ASP 95.A OD1 no hydrogen 3.323 N/A ILE 99.A N ASP 95.A O no hydrogen 3.237 N/A VAL 100.A N CYS 96.A O no hydrogen 2.926 N/A GLN 101.A N GLU 97.A O no hydrogen 2.772 N/A GLN 101.A NE2 GLU 105.A OE2 no hydrogen 2.799 N/A LYS 102.A N HIS 98.A O no hydrogen 2.801 N/A ALA 103.A N ILE 99.A O no hydrogen 2.988 N/A ARG 104.A N VAL 100.A O no hydrogen 2.729 N/A GLU 105.A N GLN 101.A O no hydrogen 2.900 N/A ARG 106.A N LYS 102.A O no hydrogen 2.995 N/A GLY 107.A N ALA 103.A O no hydrogen 3.024 N/A GLY 107.A N ARG 104.A O no hydrogen 3.254 N/A ALA 108.A N ALA 103.A O no hydrogen 2.809 N/A ARG 112.A N VAL 128.A O no hydrogen 3.120 N/A TRP 115.A N PHE 126.A O no hydrogen 3.025 N/A TRP 115.A NE1 GLU 117.A OE2 no hydrogen 3.239 N/A GLU 117.A N VAL 124.A O no hydrogen 2.725 N/A ASP 119.A N GLY 122.A O no hydrogen 2.928 N/A GLY 122.A N ASP 119.A O no hydrogen 3.376 N/A VAL 124.A N GLU 117.A O no hydrogen 2.807 N/A LYS 125.A N GLU 141.A O no hydrogen 2.825 N/A PHE 126.A N TRP 115.A O no hydrogen 2.764 N/A ALA 127.A N LEU 139.A O no hydrogen 3.124 N/A VAL 128.A N ARG 112.A O no hydrogen 2.971 N/A LEU 129.A N HIS 137.A O no hydrogen 2.846 N/A GLN 130.A N LYS 109.A O no hydrogen 3.256 N/A GLN 130.A NE2 THR 131.A O no hydrogen 2.943 N/A THR 131.A N THR 135.A O no hydrogen 2.877 N/A THR 131.A OG1 TYR 193.A OH no hydrogen 2.972 N/A TYR 132.A N THR 131.A OG1 no hydrogen 2.653 N/A THR 135.A N TYR 132.A O no hydrogen 2.834 N/A THR 136.A N LYS 87.A O no hydrogen 3.032 N/A THR 136.A OG1 ASP 88.A OD2 no hydrogen 2.603 N/A HIS 137.A N LEU 129.A O no hydrogen 2.827 N/A HIS 137.A ND1 ILE 89.A O no hydrogen 2.884 N/A HIS 137.A NE2 TYR 193.A OH no hydrogen 2.677 N/A THR 138.A N ASP 88.A OD1 no hydrogen 3.166 N/A THR 138.A OG1 ASP 88.A OD1 no hydrogen 3.187 N/A THR 138.A OG1 ASP 88.A OD2 no hydrogen 2.601 N/A LEU 139.A N ALA 127.A O no hydrogen 2.713 N/A VAL 140.A N PHE 91.A O no hydrogen 2.917 N/A GLU 141.A N LYS 125.A O no hydrogen 2.764 N/A ILE 143.A N LYS 123.A O no hydrogen 2.904 N/A TYR 145.A OH ASP 119.A OD2 no hydrogen 2.741 N/A THR 146.A N PHE 121.A O no hydrogen 2.969 N/A THR 146.A OG1 PHE 121.A O no hydrogen 2.915 N/A GLY 152.A N ASP 119.A OD2 no hydrogen 3.294 N/A PHE 153.A N LEU 150.A O no hydrogen 3.127 N/A GLU 154.A N TYR 40.A O no hydrogen 2.794 N/A LEU 162.A N ASP 160.A OD1 no hydrogen 3.100 N/A LEU 163.A N ASP 160.A O no hydrogen 3.234 N/A LYS 165.A N LEU 162.A O no hydrogen 2.946 N/A LEU 166.A N LEU 163.A O no hydrogen 3.287 N/A CYS 169.A SG PRO 167.A O no hydrogen 3.844 N/A GLU 172.A N ARG 247.A O no hydrogen 2.766 N/A ASP 175.A N ALA 245.A O no hydrogen 2.762 N/A HIS 176.A ND1 ASP 175.A OD1 no hydrogen 2.731 N/A ILE 177.A N LYS 219.A O no hydrogen 3.400 N/A VAL 178.A N HIS 243.A O no hydrogen 2.927 N/A GLY 179.A N PRO 221.A O no hydrogen 2.884 N/A ASN 180.A N GLY 240.A O no hydrogen 2.774 N/A GLN 181.A N ASN 223.A O no hydrogen 2.805 N/A GLN 181.A NE2 GLY 179.A O no hydrogen 3.097 N/A GLU 185.A N PRO 182.A O no hydrogen 3.096 N/A MET 186.A N GLU 224.A OE2 no hydrogen 2.947 N/A ALA 189.A N GLU 185.A O no hydrogen 3.032 N/A SER 190.A N MET 186.A O no hydrogen 2.777 N/A SER 190.A OG MET 186.A O no hydrogen 2.875 N/A SER 190.A OG GLU 187.A O no hydrogen 3.115 N/A GLU 191.A N GLU 187.A O no hydrogen 2.752 N/A TRP 192.A N SER 188.A O no hydrogen 3.016 N/A TYR 193.A N SER 190.A O no hydrogen 3.016 N/A TYR 193.A OH HIS 137.A NE2 no hydrogen 2.677 N/A LEU 194.A N SER 190.A O no hydrogen 3.374 N/A LYS 195.A N GLU 191.A O no hydrogen 3.003 N/A LYS 195.A NZ ARG 106.A O no hydrogen 2.681 N/A LYS 195.A NZ ASN 196.A OD1 no hydrogen 2.633 N/A ASN 196.A N TRP 192.A O no hydrogen 2.909 N/A LEU 197.A N TYR 193.A O no hydrogen 3.281 N/A PHE 199.A N TYR 193.A O no hydrogen 3.118 N/A HIS 200.A N ALA 212.A O no hydrogen 3.020 N/A HIS 200.A NE2 GLU 216.A OE2 no hydrogen 2.679 N/A PHE 202.A N VAL 210.A O no hydrogen 2.635 N/A ARG 207.A N GLU 224.A O no hydrogen 2.960 N/A ARG 207.A NE GLU 224.A OE1 no hydrogen 2.689 N/A ARG 207.A NH2 GLU 224.A OE1 no hydrogen 2.790 N/A ILE 209.A N ILE 222.A O no hydrogen 2.964 N/A VAL 211.A N MET 220.A O no hydrogen 3.163 N/A ALA 212.A N HIS 200.A O no hydrogen 3.010 N/A ASN 213.A N ILE 218.A O no hydrogen 3.274 N/A ASN 213.A ND2 SER 217.A OG no hydrogen 2.903 N/A GLU 216.A N ASN 213.A O no hydrogen 2.857 N/A SER 217.A OG LEU 10.A O no hydrogen 2.573 N/A ILE 218.A N ASN 213.A OD1 no hydrogen 2.708 N/A MET 220.A N VAL 211.A O no hydrogen 2.844 N/A ILE 222.A N ILE 209.A O no hydrogen 2.745 N/A ASN 223.A N GLY 179.A O no hydrogen 2.782 N/A ASN 223.A ND2 ASN 180.A OD1 no hydrogen 2.978 N/A GLU 224.A N ARG 207.A O no hydrogen 2.970 N/A GLU 231.A N SER 227.A O no hydrogen 3.052 N/A TYR 232.A N GLN 228.A O no hydrogen 2.960 N/A TYR 232.A OH VAL 241.A O no hydrogen 2.847 N/A VAL 233.A N ILE 229.A O no hydrogen 3.008 N/A ASP 234.A N GLN 230.A O no hydrogen 2.721 N/A TYR 235.A N GLU 231.A O no hydrogen 2.967 N/A ASN 236.A N TYR 232.A O no hydrogen 2.681 N/A ASN 236.A ND2 GLY 238.A O no hydrogen 2.915 N/A GLY 237.A N VAL 233.A O no hydrogen 2.940 N/A GLY 240.A N ASN 180.A O no hydrogen 3.000 N/A GLN 242.A N VAL 178.A O no hydrogen 2.785 N/A HIS 243.A ND1 GLN 242.A OE1 no hydrogen 2.827 N/A ILE 244.A N PHE 324.A O no hydrogen 3.443 N/A ALA 245.A N HIS 176.A O no hydrogen 2.890 N/A LEU 246.A N GLU 326.A O no hydrogen 2.597 N/A ARG 247.A N ILE 173.A O no hydrogen 2.890 N/A ARG 247.A NE ASP 175.A OD2 no hydrogen 3.104 N/A ARG 247.A NH2 ASP 175.A OD2 no hydrogen 2.740 N/A THR 248.A N ILE 328.A O no hydrogen 2.952 N/A THR 248.A OG1 ASN 170.A O no hydrogen 3.370 N/A THR 248.A OG1 THR 254.A OG1 no hydrogen 2.647 N/A ASP 250.A N THR 248.A OG1 no hydrogen 2.994 N/A ILE 251.A N GLN 329.A OE1 no hydrogen 2.805 N/A THR 253.A N ASP 250.A OD1 no hydrogen 3.201 N/A THR 253.A OG1 ASP 250.A OD1 no hydrogen 3.341 N/A THR 253.A OG1 ASP 250.A OD2 no hydrogen 2.628 N/A THR 254.A N ASP 250.A O no hydrogen 3.039 N/A THR 254.A OG1 CYS 169.A O no hydrogen 2.862 N/A THR 254.A OG1 THR 248.A OG1 no hydrogen 2.647 N/A THR 254.A OG1 ASP 250.A O no hydrogen 2.904 N/A ILE 255.A N ILE 251.A O no hydrogen 2.889 N/A ARG 256.A N ILE 252.A O no hydrogen 2.950 N/A HIS 257.A N THR 253.A O no hydrogen 2.926 N/A HIS 257.A ND1 SER 168.A O no hydrogen 2.548 N/A LEU 258.A N THR 254.A O no hydrogen 2.841 N/A ARG 259.A N ILE 255.A O no hydrogen 3.004 N/A ARG 259.A NE LEU 297.A O no hydrogen 3.374 N/A ARG 259.A NH2 LEU 297.A O no hydrogen 3.063 N/A GLU 260.A N ARG 256.A O no hydrogen 3.054 N/A ARG 261.A N HIS 257.A O no hydrogen 3.244 N/A ARG 261.A NE PRO 167.A O no hydrogen 2.978 N/A ARG 261.A NH1 ASN 31.A O no hydrogen 2.799 N/A ARG 261.A NH2 PRO 167.A O no hydrogen 2.731 N/A GLY 262.A N LEU 258.A O no hydrogen 3.186 N/A GLY 262.A N ARG 259.A O no hydrogen 3.006 N/A MET 263.A N LEU 258.A O no hydrogen 3.164 N/A LEU 266.A N PHE 313.A O no hydrogen 3.019 N/A TYR 272.A N PRO 269.A O no hydrogen 3.090 N/A TYR 272.A OH ASN 340.A OD1 no hydrogen 2.651 N/A TYR 273.A OH ILE 299.A O no hydrogen 2.617 N/A ARG 274.A N SER 270.A O no hydrogen 3.217 N/A LEU 275.A N SER 271.A O no hydrogen 2.906 N/A LEU 276.A N TYR 272.A O no hydrogen 2.841 N/A ARG 277.A N TYR 273.A O no hydrogen 3.013 N/A GLU 278.A N ARG 274.A O no hydrogen 3.022 N/A ASN 279.A N LEU 275.A O no hydrogen 2.953 N/A LEU 280.A N LEU 276.A O no hydrogen 2.969 N/A LYS 281.A N ARG 277.A O no hydrogen 3.433 N/A THR 282.A N ASN 279.A O no hydrogen 3.207 N/A THR 282.A OG1 ASN 279.A O no hydrogen 3.400 N/A SER 283.A N LEU 280.A O no hydrogen 3.047 N/A SER 283.A OG LEU 280.A O no hydrogen 2.637 N/A SER 283.A OG ILE 285.A O no hydrogen 2.895 N/A LYS 284.A N GLU 305.A OE1 no hydrogen 2.196 N/A LYS 288.A N TYR 308.A OH no hydrogen 3.026 N/A LYS 288.A NZ GLU 289.A OE2 no hydrogen 3.510 N/A GLU 289.A N GLU 289.A OE1 no hydrogen 2.735 N/A VAL 293.A N ASN 290.A OD1 no hydrogen 3.084 N/A LEU 294.A N ASN 290.A O no hydrogen 3.062 N/A GLU 295.A N MET 291.A O no hydrogen 2.945 N/A GLU 296.A N ASP 292.A O no hydrogen 3.095 N/A LEU 297.A N VAL 293.A O no hydrogen 2.962 N/A LYS 298.A N GLU 295.A O no hydrogen 3.188 N/A ILE 299.A N LEU 294.A O no hydrogen 3.182 N/A LEU 300.A N GLN 311.A O no hydrogen 2.764 N/A VAL 301.A N TYR 272.A OH no hydrogen 2.860 N/A ASP 302.A N LEU 309.A O no hydrogen 3.041 N/A ASP 304.A N HIS 333.A NE2 no hydrogen 3.252 N/A LYS 306.A N ASP 304.A OD1 no hydrogen 2.759 N/A GLY 307.A N ASP 304.A O no hydrogen 3.352 N/A GLY 307.A N ASP 304.A OD1 no hydrogen 2.895 N/A TYR 308.A N HIS 331.A O no hydrogen 2.732 N/A TYR 308.A OH GLU 289.A OE1 no hydrogen 2.792 N/A LEU 309.A N ASP 302.A O no hydrogen 2.755 N/A LEU 310.A N GLN 329.A O no hydrogen 2.733 N/A GLN 311.A N LEU 300.A O no hydrogen 2.930 N/A GLN 311.A NE2 GLU 326.A OE2 no hydrogen 2.813 N/A GLN 311.A NE2 PHE 336.A O no hydrogen 2.637 N/A ILE 312.A N VAL 327.A O no hydrogen 2.880 N/A THR 314.A N LEU 325.A O no hydrogen 2.961 N/A THR 314.A OG1 LYS 315.A O no hydrogen 2.855 N/A THR 314.A OG1 LEU 325.A O no hydrogen 3.405 N/A LYS 315.A N GLU 264.A O no hydrogen 2.997 N/A LYS 315.A NZ PHE 265.A O no hydrogen 2.781 N/A MET 317.A N LEU 323.A O no hydrogen 3.050 N/A GLN 318.A NE2 GLN 318.A O no hydrogen 3.566 N/A GLN 318.A NE2 ARG 320.A O no hydrogen 2.877 N/A GLN 318.A NE2 LEU 323.A O no hydrogen 2.954 N/A ARG 320.A NH1 LYS 81.A O no hydrogen 2.893 N/A ARG 320.A NH1 TYR 235.A O no hydrogen 2.821 N/A ARG 320.A NH2 VAL 80.A O no hydrogen 3.035 N/A PHE 324.A N GLN 242.A O no hydrogen 3.057 N/A LEU 325.A N THR 314.A OG1 no hydrogen 2.817 N/A GLU 326.A N ILE 244.A O no hydrogen 2.888 N/A VAL 327.A N ILE 312.A O no hydrogen 2.796 N/A ILE 328.A N LEU 246.A O no hydrogen 2.924 N/A GLN 329.A N LEU 310.A O no hydrogen 2.810 N/A ARG 330.A NE ASP 175.A OD2 no hydrogen 2.881 N/A ARG 330.A NH1 HIS 333.A O no hydrogen 2.852 N/A ARG 330.A NH1 GLY 335.A O no hydrogen 2.877 N/A ARG 330.A NH2 ASP 175.A OD1 no hydrogen 2.917 N/A ARG 330.A NH2 GLY 335.A O no hydrogen 3.184 N/A HIS 331.A N TYR 308.A O no hydrogen 2.639 N/A GLY 335.A N HIS 333.A ND1 no hydrogen 2.999 N/A GLY 339.A N ASP 302.A OD1 no hydrogen 3.356 N/A ASN 340.A N GLY 337.A O no hydrogen 2.721 N/A ASN 340.A ND2 VAL 301.A O no hydrogen 3.441 N/A ASN 340.A ND2 GLN 311.A OE1 no hydrogen 3.178 N/A ASN 342.A ND2 GLY 339.A O no hydrogen 3.415 N/A SER 343.A N GLY 339.A O no hydrogen 3.086 N/A SER 343.A OG GLY 339.A O no hydrogen 3.050 N/A