Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kr8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N PHE 1.A O no hydrogen 2.969 N/A MET 4.A SD ILE 166.A O no hydrogen 3.685 N/A VAL 5.A N VAL 2.A O no hydrogen 3.323 N/A ASP 6.A N SER 163.A OG no hydrogen 2.789 N/A ASN 7.A ND2 HIS 91.A O no hydrogen 2.922 N/A ASN 7.A ND2 MET 164.A O no hydrogen 2.988 N/A LEU 8.A N GLY 162.A O no hydrogen 2.957 N/A ARG 9.A N TYR 17.A O no hydrogen 3.050 N/A ARG 9.A NH1 ASP 6.A OD2 no hydrogen 2.716 N/A ARG 9.A NH2 ASP 6.A OD1 no hydrogen 2.838 N/A ARG 9.A NH2 LEU 8.A O no hydrogen 2.919 N/A GLN 14.A N LYS 11.A O no hydrogen 2.933 N/A TYR 16.A OH CYS 157.A O no hydrogen 2.935 N/A TYR 16.A OH GLU 313.A OE2 no hydrogen 2.648 N/A TYR 17.A N ARG 9.A O no hydrogen 2.820 N/A VAL 18.A N ILE 31.A O no hydrogen 2.790 N/A MET 20.A N LEU 29.A O no hydrogen 2.825 N/A THR 21.A N SER 88.A O no hydrogen 2.861 N/A THR 21.A OG1 SER 88.A O no hydrogen 3.554 N/A THR 21.A OG1 SER 88.A OG no hydrogen 2.443 N/A VAL 22.A N GLN 27.A O no hydrogen 2.964 N/A GLY 23.A N LEU 86.A O no hydrogen 2.778 N/A SER 24.A N SER 59.A OG no hydrogen 3.238 N/A SER 24.A OG THR 61.A OG1 no hydrogen 2.956 N/A GLN 27.A N VAL 22.A O no hydrogen 2.873 N/A GLN 27.A NE2 GLN 55.A O no hydrogen 2.869 N/A LEU 29.A N MET 20.A O no hydrogen 2.815 N/A ASN 30.A N GLU 118.A OE2 no hydrogen 2.634 N/A ASN 30.A ND2 ASN 116.A O no hydrogen 3.028 N/A ILE 31.A N VAL 18.A O no hydrogen 2.824 N/A LEU 32.A N GLY 119.A O no hydrogen 2.793 N/A VAL 33.A N TYR 16.A O no hydrogen 2.803 N/A ASP 34.A N LEU 121.A O no hydrogen 3.080 N/A THR 35.A N SER 219.A OG no hydrogen 2.966 N/A THR 35.A OG1 VAL 217.A O no hydrogen 2.985 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 2.985 N/A SER 37.A OG ASP 34.A OD2 no hydrogen 2.526 N/A SER 38.A OG TYR 125.A O no hydrogen 2.510 N/A ASN 39.A ND2 ARG 130.A O no hydrogen 2.892 N/A ALA 41.A N ILE 120.A O no hydrogen 3.032 N/A VAL 42.A N ALA 102.A O no hydrogen 2.993 N/A GLY 43.A N GLU 118.A O no hydrogen 2.799 N/A ALA 44.A N ILE 104.A O no hydrogen 3.058 N/A HIS 47.A N ALA 45.A O no hydrogen 2.710 N/A PHE 49.A N HIS 47.A ND1 no hydrogen 3.196 N/A LEU 50.A N HIS 47.A O no hydrogen 2.981 N/A TYR 54.A N GLY 43.A O no hydrogen 2.715 N/A TYR 54.A OH ASP 85.A OD2 no hydrogen 2.554 N/A GLN 55.A N GLN 27.A OE1 no hydrogen 2.862 N/A ARG 56.A NH1 GLU 81.A OE1 no hydrogen 2.692 N/A ARG 56.A NH2 GLU 81.A OE1 no hydrogen 2.985 N/A GLN 57.A N GLN 57.A OE1 no hydrogen 2.812 N/A LEU 58.A N GLN 55.A O no hydrogen 3.098 N/A SER 59.A N ARG 56.A O no hydrogen 3.185 N/A SER 59.A OG ASP 85.A OD1 no hydrogen 3.226 N/A SER 59.A OG ASP 85.A OD2 no hydrogen 2.612 N/A SER 60.A N SER 24.A O no hydrogen 3.017 N/A SER 60.A OG SER 24.A O no hydrogen 3.302 N/A THR 61.A OG1 SER 24.A OG no hydrogen 2.956 N/A THR 61.A OG1 ASP 85.A OD1 no hydrogen 2.661 N/A ARG 63.A N THR 84.A O no hydrogen 2.851 N/A LEU 65.A N LEU 82.A O no hydrogen 3.229 N/A ARG 66.A N ASP 64.A OD1 no hydrogen 2.804 N/A VAL 69.A N GLY 80.A O no hydrogen 2.882 N/A VAL 71.A N TRP 78.A O no hydrogen 2.836 N/A TYR 73.A N GLY 76.A O no hydrogen 2.823 N/A LYS 77.A N ASP 108.A O no hydrogen 2.802 N/A TRP 78.A N VAL 71.A O no hydrogen 2.959 N/A TRP 78.A NE1 TYR 73.A OH no hydrogen 2.682 N/A GLU 79.A N GLU 106.A O no hydrogen 2.668 N/A GLY 80.A N VAL 69.A O no hydrogen 2.816 N/A GLU 81.A N ALA 103.A O no hydrogen 2.838 N/A LEU 82.A N LYS 67.A O no hydrogen 2.845 N/A GLY 83.A N ILE 101.A O no hydrogen 2.988 N/A THR 84.A N ARG 63.A O no hydrogen 2.846 N/A ASP 85.A N ALA 99.A O no hydrogen 3.261 N/A LEU 86.A N ASP 85.A OD1 no hydrogen 2.764 N/A VAL 87.A N VAL 97.A O no hydrogen 2.720 N/A SER 88.A N THR 21.A O no hydrogen 3.019 N/A SER 88.A OG THR 21.A OG1 no hydrogen 2.443 N/A GLY 92.A N ILE 89.A O no hydrogen 2.869 N/A VAL 95.A N PRO 93.A O no hydrogen 2.852 N/A VAL 97.A N VAL 87.A O no hydrogen 3.003 N/A ARG 98.A N GLN 145.A OE1 no hydrogen 2.861 N/A ARG 98.A NH1 THR 61.A O no hydrogen 2.880 N/A ARG 98.A NH1 THR 84.A OG1 no hydrogen 3.205 N/A ARG 98.A NH2 THR 61.A O no hydrogen 2.806 N/A ALA 99.A N ASP 85.A O no hydrogen 3.077 N/A ASN 100.A ND2 GLU 136.A O no hydrogen 2.846 N/A ILE 101.A N GLY 83.A O no hydrogen 2.775 N/A ALA 102.A N PHE 40.A O no hydrogen 2.926 N/A ALA 103.A N GLU 81.A O no hydrogen 2.819 N/A ILE 104.A N VAL 42.A O no hydrogen 2.754 N/A THR 105.A N GLU 79.A O no hydrogen 2.947 N/A THR 105.A OG1 GLU 79.A O no hydrogen 3.473 N/A GLU 106.A N GLU 79.A O no hydrogen 3.262 N/A ASP 108.A N LYS 77.A O no hydrogen 2.809 N/A SER 115.A N ILE 112.A O no hydrogen 3.202 N/A SER 115.A OG ILE 112.A O no hydrogen 3.147 N/A ASN 116.A ND2 TYR 17.A OH no hydrogen 2.836 N/A TRP 117.A NE1 GLN 14.A O no hydrogen 2.995 N/A GLU 118.A N ASN 30.A O no hydrogen 2.944 N/A ILE 120.A N ALA 41.A O no hydrogen 2.748 N/A LEU 121.A N LEU 32.A O no hydrogen 2.720 N/A GLY 122.A N ASN 39.A O no hydrogen 2.908 N/A LEU 123.A N ASP 34.A O no hydrogen 2.917 N/A ALA 124.A N SER 37.A O no hydrogen 2.881 N/A TYR 125.A N TRP 187.A O no hydrogen 2.987 N/A ILE 128.A N TYR 125.A O no hydrogen 3.348 N/A ALA 129.A N ALA 126.A O no hydrogen 2.897 N/A ARG 130.A N ASN 39.A OD1 no hydrogen 2.905 N/A SER 134.A N ASP 132.A OD1 no hydrogen 3.062 N/A SER 134.A OG ASP 132.A OD1 no hydrogen 2.565 N/A LEU 135.A N ASP 132.A O no hydrogen 3.404 N/A SER 141.A N PRO 137.A O no hydrogen 3.144 N/A SER 141.A OG GLU 136.A OE1 no hydrogen 2.652 N/A SER 141.A OG PRO 137.A O no hydrogen 3.349 N/A LEU 142.A N PHE 138.A O no hydrogen 2.846 N/A VAL 143.A N PHE 139.A O no hydrogen 3.060 N/A LYS 144.A N ASP 140.A O no hydrogen 3.129 N/A GLN 145.A N SER 141.A O no hydrogen 3.012 N/A GLN 145.A NE2 ARG 98.A O no hydrogen 2.797 N/A THR 146.A N LEU 142.A O no hydrogen 3.110 N/A THR 146.A OG1 LEU 142.A O no hydrogen 2.541 N/A VAL 148.A N THR 146.A OG1 no hydrogen 3.374 N/A LEU 151.A N PRO 149.A O no hydrogen 2.781 N/A PHE 152.A N PHE 319.A O no hydrogen 3.267 N/A SER 153.A N ILE 165.A O no hydrogen 2.903 N/A SER 153.A OG GLY 168.A O no hydrogen 2.977 N/A SER 153.A OG TYR 316.A OH no hydrogen 2.590 N/A LEU 154.A N VAL 317.A O no hydrogen 2.790 N/A GLN 155.A N SER 163.A O no hydrogen 2.877 N/A GLN 155.A NE2 SER 331.A OG no hydrogen 3.379 N/A CYS 157.A N GLY 161.A O no hydrogen 2.933 N/A VAL 160.A N GLY 10.A O no hydrogen 2.921 N/A GLY 162.A N LEU 8.A O no hydrogen 3.226 N/A SER 163.A N GLN 155.A O no hydrogen 2.856 N/A MET 164.A N ASN 7.A OD1 no hydrogen 2.751 N/A ILE 165.A N SER 153.A O no hydrogen 2.909 N/A GLY 167.A N LEU 151.A O no hydrogen 2.803 N/A ASP 170.A N TYR 316.A OH no hydrogen 3.016 N/A HIS 171.A ND1 TYR 174.A OH no hydrogen 2.729 N/A SER 172.A N ASP 170.A OD1 no hydrogen 3.233 N/A SER 172.A OG ASP 170.A OD1 no hydrogen 2.633 N/A LEU 173.A N ASP 170.A O no hydrogen 3.241 N/A TYR 174.A OH HIS 171.A ND1 no hydrogen 2.729 N/A THR 175.A N VAL 330.A O no hydrogen 2.967 N/A SER 177.A OG LEU 178.A O no hydrogen 3.120 N/A TRP 179.A N PHE 328.A O no hydrogen 2.803 N/A THR 181.A N ILE 326.A O no hydrogen 2.825 N/A THR 181.A OG1 MET 270.A O no hydrogen 2.679 N/A ILE 183.A N LYS 324.A O no hydrogen 2.842 N/A ARG 184.A N GLU 190.A O no hydrogen 2.923 N/A ARG 184.A NH1 GLU 190.A OE2 no hydrogen 3.071 N/A ARG 184.A NH1 TYR 358.A O no hydrogen 2.760 N/A ARG 184.A NH2 TYR 358.A O no hydrogen 2.928 N/A TRP 187.A N ARG 185.A O no hydrogen 3.123 N/A TRP 187.A N TYR 188.A O no hydrogen 3.211 N/A TRP 187.A NE1 GLU 190.A OE1 no hydrogen 2.776 N/A TYR 189.A OH LEU 123.A O no hydrogen 2.584 N/A VAL 191.A N SER 215.A O no hydrogen 2.792 N/A ILE 193.A N ASN 211.A OD1 no hydrogen 2.815 N/A VAL 194.A N TYR 268.A O no hydrogen 2.802 N/A ARG 195.A NE GLU 197.A OE2 no hydrogen 3.012 N/A ARG 195.A NH2 GLU 197.A OE2 no hydrogen 3.520 N/A GLU 197.A N SER 266.A O no hydrogen 2.895 N/A ILE 198.A N GLN 201.A O no hydrogen 2.857 N/A ASN 199.A N VAL 264.A O no hydrogen 2.901 N/A GLN 201.A N ILE 198.A O no hydrogen 2.983 N/A LEU 203.A N VAL 196.A O no hydrogen 3.084 N/A LYS 208.A N ASP 206.A OD1 no hydrogen 3.159 N/A LYS 208.A NZ ASP 355.A O no hydrogen 2.819 N/A LYS 208.A NZ GLY 357.A O no hydrogen 3.182 N/A GLU 209.A N ASP 206.A O no hydrogen 2.840 N/A TYR 210.A N CYS 207.A O no hydrogen 3.275 N/A ASN 211.A N LYS 208.A O no hydrogen 3.204 N/A ASN 211.A ND2 ILE 193.A O no hydrogen 2.721 N/A ASN 211.A ND2 CYS 207.A O no hydrogen 3.128 N/A ASN 211.A ND2 CYS 356.A O no hydrogen 3.040 N/A LYS 214.A NZ THR 303.A O no hydrogen 2.940 N/A SER 215.A OG ASN 211.A OD1 no hydrogen 2.624 N/A ILE 216.A N THR 305.A O no hydrogen 2.980 N/A VAL 217.A N TYR 189.A O no hydrogen 3.123 N/A ASP 218.A N MET 307.A O no hydrogen 3.038 N/A SER 219.A N THR 35.A OG1 no hydrogen 2.861 N/A SER 219.A OG VAL 33.A O no hydrogen 2.929 N/A GLY 220.A N ASP 218.A OD1 no hydrogen 2.920 N/A THR 221.A N ASP 218.A O no hydrogen 3.458 N/A THR 221.A OG1 ASP 218.A OD2 no hydrogen 2.538 N/A ASN 223.A ND2 SER 299.A OG no hydrogen 3.407 N/A LEU 224.A N ALA 297.A O no hydrogen 3.121 N/A ARG 225.A N VAL 306.A O no hydrogen 2.941 N/A LEU 226.A N SER 299.A O no hydrogen 2.859 N/A PHE 231.A N PRO 227.A O no hydrogen 2.703 N/A GLU 232.A N LYS 228.A O no hydrogen 2.978 N/A ALA 234.A N VAL 230.A O no hydrogen 2.818 N/A VAL 235.A N PHE 231.A O no hydrogen 2.790 N/A LYS 236.A N GLU 232.A O no hydrogen 3.197 N/A SER 237.A N ALA 233.A O no hydrogen 3.282 N/A ILE 238.A N ALA 234.A O no hydrogen 2.981 N/A LYS 239.A N VAL 235.A O no hydrogen 2.784 N/A ALA 240.A N LYS 236.A O no hydrogen 3.140 N/A ALA 241.A N SER 237.A O no hydrogen 3.013 N/A SER 242.A N ILE 238.A O no hydrogen 3.014 N/A SER 242.A OG ILE 238.A O no hydrogen 2.661 N/A PHE 251.A N PRO 248.A O no hydrogen 3.212 N/A LEU 253.A N GLY 250.A O no hydrogen 3.273 N/A GLY 254.A N PHE 251.A O no hydrogen 3.285 N/A GLU 255.A N GLY 250.A O no hydrogen 2.751 N/A VAL 258.A N TYR 294.A O no hydrogen 3.068 N/A VAL 264.A N ASN 199.A OD1 no hydrogen 2.962 N/A ILE 265.A N ILE 282.A O no hydrogen 3.146 N/A SER 266.A N GLU 197.A O no hydrogen 2.838 N/A SER 266.A OG THR 281.A OG1 no hydrogen 2.830 N/A LEU 267.A N ILE 280.A O no hydrogen 2.839 N/A TYR 268.A N ARG 195.A O no hydrogen 2.786 N/A TYR 268.A OH GLU 197.A OE1 no hydrogen 3.090 N/A TYR 268.A OH GLU 197.A OE2 no hydrogen 3.098 N/A LEU 269.A N PHE 278.A O no hydrogen 2.805 N/A MET 270.A N ILE 192.A O no hydrogen 3.076 N/A GLY 271.A N GLN 276.A O no hydrogen 2.856 N/A VAL 273.A N GLN 276.A OE1 no hydrogen 3.081 N/A GLN 276.A N VAL 273.A O no hydrogen 2.993 N/A SER 277.A N PHE 348.A O no hydrogen 2.893 N/A SER 277.A OG THR 350.A OG1 no hydrogen 2.641 N/A PHE 278.A N LEU 269.A O no hydrogen 3.251 N/A ARG 279.A N GLU 345.A O no hydrogen 2.854 N/A ARG 279.A NE GLU 345.A OE1 no hydrogen 2.853 N/A ARG 279.A NH1 TYR 268.A OH no hydrogen 3.069 N/A ARG 279.A NH2 GLU 345.A OE1 no hydrogen 3.093 N/A ARG 279.A NH2 GLU 345.A OE2 no hydrogen 3.448 N/A ILE 280.A N LEU 267.A O no hydrogen 2.856 N/A THR 281.A N ALA 343.A O no hydrogen 2.849 N/A THR 281.A OG1 SER 266.A OG no hydrogen 2.830 N/A ILE 282.A N ILE 265.A O no hydrogen 2.892 N/A LEU 283.A N GLN 286.A OE1 no hydrogen 2.876 N/A GLN 285.A N GLN 285.A OE1 no hydrogen 2.744 N/A GLN 285.A NE2 ASP 337.A OD2 no hydrogen 2.807 N/A GLN 286.A N LEU 283.A O no hydrogen 2.922 N/A GLN 286.A NE2 VAL 335.A O no hydrogen 3.080 N/A TYR 287.A N LEU 283.A O no hydrogen 3.426 N/A TYR 287.A OH PRO 263.A O no hydrogen 2.656 N/A LEU 288.A N PRO 284.A O no hydrogen 2.796 N/A ARG 289.A N LYS 295.A O no hydrogen 3.100 N/A ARG 289.A NH1 GLU 313.A OE1 no hydrogen 3.121 N/A ARG 289.A NH2 GLU 313.A OE1 no hydrogen 3.308 N/A ARG 289.A NH2 GLU 313.A OE2 no hydrogen 2.872 N/A VAL 291.A N CYS 293.A O no hydrogen 2.804 N/A TYR 294.A N VAL 258.A O no hydrogen 2.858 N/A LYS 295.A N ARG 289.A O no hydrogen 2.815 N/A ALA 297.A N TYR 287.A O no hydrogen 2.798 N/A SER 299.A N LEU 224.A O no hydrogen 3.181 N/A SER 301.A OG GLY 304.A O no hydrogen 2.737 N/A THR 303.A N SER 301.A OG no hydrogen 3.171 N/A THR 303.A OG1 SER 301.A OG no hydrogen 3.330 N/A THR 305.A N LYS 214.A O no hydrogen 2.757 N/A THR 305.A OG1 TYR 210.A O no hydrogen 2.574 N/A VAL 306.A N ARG 225.A O no hydrogen 2.808 N/A MET 307.A N ILE 216.A O no hydrogen 2.812 N/A ALA 309.A N THR 221.A O no hydrogen 2.770 N/A VAL 310.A N THR 222.A O no hydrogen 2.971 N/A ILE 311.A N GLY 308.A O no hydrogen 3.147 N/A MET 312.A N GLY 308.A O no hydrogen 3.010 N/A GLU 313.A N ALA 309.A O no hydrogen 2.903 N/A GLY 314.A N ILE 311.A O no hydrogen 3.083 N/A PHE 315.A N MET 312.A O no hydrogen 3.130 N/A TYR 316.A N ALA 329.A O no hydrogen 2.715 N/A VAL 317.A N LEU 154.A O no hydrogen 3.006 N/A VAL 318.A N GLY 327.A O no hydrogen 2.783 N/A PHE 319.A N PHE 152.A O no hydrogen 2.726 N/A ASP 320.A N ARG 325.A O no hydrogen 2.916 N/A ARG 321.A N PHE 319.A O no hydrogen 3.056 N/A ARG 321.A NE ASN 150.A OD1 no hydrogen 2.930 N/A ARG 321.A NH1 ASP 140.A OD2 no hydrogen 2.782 N/A ARG 321.A NH2 TYR 189.A OH no hydrogen 2.905 N/A ALA 322.A N ASN 150.A O no hydrogen 2.977 N/A ARG 323.A N ASP 320.A O no hydrogen 3.319 N/A ARG 323.A N ASP 320.A OD1 no hydrogen 3.351 N/A LYS 324.A N ARG 321.A O no hydrogen 3.230 N/A ARG 325.A N ASP 320.A O no hydrogen 3.063 N/A ARG 325.A NE ASP 320.A OD2 no hydrogen 2.957 N/A ARG 325.A NH1 GLU 272.A OE1 no hydrogen 2.728 N/A ARG 325.A NH2 ASP 320.A OD2 no hydrogen 3.442 N/A ILE 326.A N THR 181.A O no hydrogen 2.746 N/A GLY 327.A N VAL 318.A O no hydrogen 2.739 N/A PHE 328.A N TRP 179.A O no hydrogen 2.736 N/A ALA 329.A N TYR 316.A O no hydrogen 3.099 N/A SER 331.A N GLY 314.A O no hydrogen 3.240 N/A ALA 332.A N LEU 173.A O no hydrogen 3.111 N/A CYS 333.A N SER 331.A OG no hydrogen 3.303 N/A CYS 333.A SG SER 331.A OG no hydrogen 3.264 N/A HIS 334.A ND1 SER 331.A O no hydrogen 2.679 N/A HIS 336.A ND1 ASP 337.A O no hydrogen 3.250 N/A PHE 339.A N ASP 337.A OD1 no hydrogen 2.909 N/A ARG 340.A N ASP 337.A OD1 no hydrogen 2.850 N/A ARG 340.A NH1 PHE 262.A O no hydrogen 2.890 N/A ARG 340.A NH2 PHE 262.A O no hydrogen 3.162 N/A ALA 342.A N HIS 334.A NE2 no hydrogen 3.177 N/A ALA 343.A N THR 281.A O no hydrogen 3.230 N/A GLU 345.A N ARG 279.A O no hydrogen 2.956 N/A PHE 348.A N SER 277.A O no hydrogen 2.840 N/A THR 350.A N ASN 275.A O no hydrogen 3.082 N/A THR 350.A OG1 SER 277.A OG no hydrogen 2.641 N/A ASP 355.A N ASP 352.A O no hydrogen 3.279 N/A CYS 356.A N MET 353.A O no hydrogen 3.205 N/A CYS 356.A SG ASP 352.A O no hydrogen 3.795 N/A GLY 357.A N GLU 354.A O no hydrogen 3.445 N/A