Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hki_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N PRO 27.A O no hydrogen 3.021 N/A LEU 2.A N PRO 27.A O no hydrogen 3.031 N/A LYS 3.A N ASP 93.A OD2 no hydrogen 3.058 N/A VAL 4.A N ASP 29.A O no hydrogen 3.069 N/A ALA 5.A N LEU 94.A O no hydrogen 2.923 N/A ILE 6.A N VAL 32.A O no hydrogen 2.921 N/A ASN 7.A N ILE 96.A O no hydrogen 2.836 N/A ASN 7.A ND2 GLU 97.A OE2 no hydrogen 3.093 N/A GLY 8.A N ASN 34.A O no hydrogen 2.977 N/A ARG 11.A NE GLU 317.A OE1 no hydrogen 3.044 N/A ARG 11.A NE GLU 317.A OE2 no hydrogen 3.167 N/A ARG 11.A NH1 ASP 49.A OD2 no hydrogen 2.889 N/A ARG 11.A NH2 ASP 49.A OD1 no hydrogen 3.015 N/A ARG 11.A NH2 ASP 49.A OD2 no hydrogen 2.844 N/A ARG 11.A NH2 GLU 317.A OE1 no hydrogen 3.160 N/A ARG 14.A N GLY 10.A O no hydrogen 2.934 N/A ARG 14.A NE LEU 45.A O no hydrogen 3.296 N/A ASN 15.A N ARG 11.A O no hydrogen 2.819 N/A ASN 15.A ND2 ARG 11.A O no hydrogen 2.730 N/A PHE 16.A N ILE 12.A O no hydrogen 2.936 N/A LEU 17.A N GLY 13.A O no hydrogen 3.053 N/A ARG 18.A N ARG 14.A O no hydrogen 3.101 N/A ARG 18.A NH2 GLY 53.A O no hydrogen 2.626 N/A CYS 19.A N ASN 15.A O no hydrogen 3.088 N/A CYS 19.A SG TRP 318.A O no hydrogen 4.013 N/A CYS 19.A SG GLN 322.A OE1 no hydrogen 2.958 N/A TRP 20.A N PHE 16.A O no hydrogen 2.811 N/A TRP 20.A NE1 LEU 28.A O no hydrogen 3.018 N/A HIS 21.A N LEU 17.A O no hydrogen 2.882 N/A GLY 22.A N CYS 19.A O no hydrogen 3.175 N/A ARG 23.A N TRP 20.A O no hydrogen 3.124 N/A ARG 23.A NE GLN 322.A OE1 no hydrogen 3.614 N/A ARG 23.A NH2 ASP 326.A OD1 no hydrogen 2.914 N/A SER 26.A OG LEU 28.A O no hydrogen 3.397 N/A LEU 28.A N SER 26.A OG no hydrogen 3.130 N/A ASP 29.A N LEU 2.A O no hydrogen 3.098 N/A VAL 31.A N VAL 4.A O no hydrogen 3.109 N/A ILE 33.A N LYS 75.A O no hydrogen 2.782 N/A ASN 34.A N ILE 6.A O no hydrogen 2.915 N/A ASN 34.A ND2 ASN 7.A OD1 no hydrogen 2.486 N/A ASN 34.A ND2 ASP 79.A O no hydrogen 3.231 N/A ASP 35.A N VAL 77.A O no hydrogen 3.009 N/A GLY 37.A N ASP 35.A OD2 no hydrogen 3.137 N/A ALA 42.A N GLY 38.A O no hydrogen 3.056 N/A SER 43.A N VAL 39.A O no hydrogen 3.018 N/A HIS 44.A N LYS 40.A O no hydrogen 3.058 N/A LEU 45.A N GLN 41.A O no hydrogen 2.945 N/A LEU 46.A N ALA 42.A O no hydrogen 2.995 N/A LYS 47.A N SER 43.A O no hydrogen 2.962 N/A LYS 47.A NZ PHE 55.A O no hydrogen 3.339 N/A LYS 47.A NZ ALA 57.A O no hydrogen 2.951 N/A TYR 48.A N HIS 44.A O no hydrogen 2.852 N/A ILE 51.A N ASP 49.A OD1 no hydrogen 2.902 N/A LEU 52.A N ASP 49.A OD1 no hydrogen 2.841 N/A GLY 53.A N ASP 49.A O no hydrogen 2.835 N/A PHE 55.A N LYS 47.A O no hydrogen 2.853 N/A ALA 57.A N PHE 55.A O no hydrogen 2.932 N/A ASP 58.A N ASP 70.A OD1 no hydrogen 2.712 N/A LYS 60.A N SER 68.A O no hydrogen 3.105 N/A ALA 62.A N ALA 66.A O no hydrogen 2.741 N/A ILE 67.A N ILE 74.A O no hydrogen 2.950 N/A SER 68.A N LYS 60.A O no hydrogen 2.732 N/A VAL 69.A N LYS 72.A O no hydrogen 2.869 N/A ASP 70.A N ASP 58.A O no hydrogen 2.924 N/A LYS 72.A N ASP 70.A O no hydrogen 2.653 N/A ILE 74.A N ILE 67.A O no hydrogen 2.659 N/A LYS 75.A N VAL 31.A O no hydrogen 2.810 N/A LYS 75.A NZ SER 65.A O no hydrogen 3.311 N/A VAL 76.A N SER 65.A O no hydrogen 2.548 N/A VAL 77.A N ILE 33.A O no hydrogen 2.828 N/A SER 78.A OG ASP 35.A O no hydrogen 3.241 N/A ASP 79.A N ASN 34.A OD1 no hydrogen 3.139 N/A ASN 84.A N ASN 81.A O no hydrogen 3.139 N/A TRP 87.A N LEU 85.A O no hydrogen 2.757 N/A TRP 87.A NE1 HIS 111.A ND1 no hydrogen 3.113 N/A GLY 88.A N ALA 114.A O no hydrogen 2.832 N/A MET 90.A N PRO 86.A O no hydrogen 3.125 N/A GLY 91.A N GLY 88.A O no hydrogen 2.851 N/A ILE 92.A N TRP 87.A O no hydrogen 3.339 N/A ASP 93.A N LYS 3.A O no hydrogen 2.883 N/A LEU 94.A N LYS 3.A O no hydrogen 3.105 N/A VAL 95.A N LYS 118.A O no hydrogen 2.932 N/A ILE 96.A N ALA 5.A O no hydrogen 2.835 N/A GLU 97.A N LEU 120.A O no hydrogen 2.751 N/A GLY 98.A N ASN 7.A O no hydrogen 2.873 N/A THR 99.A OG1 GLU 97.A OE1 no hydrogen 3.052 N/A THR 99.A OG1 GLU 97.A OE2 no hydrogen 2.597 N/A VAL 103.A N VAL 101.A O no hydrogen 3.098 N/A GLY 107.A N ASP 104.A OD1 no hydrogen 2.951 N/A ALA 108.A N ASP 104.A O no hydrogen 2.923 N/A LYS 110.A N GLY 107.A O no hydrogen 3.254 N/A HIS 111.A N ALA 108.A O no hydrogen 3.070 N/A GLN 113.A N LYS 110.A O no hydrogen 3.256 N/A ALA 114.A N HIS 111.A O no hydrogen 3.231 N/A ALA 116.A N HIS 111.A O no hydrogen 3.320 N/A LYS 117.A NZ ASP 93.A OD1 no hydrogen 3.337 N/A LYS 118.A N ASP 93.A O no hydrogen 2.793 N/A VAL 119.A N THR 146.A O no hydrogen 2.707 N/A LEU 120.A N VAL 95.A O no hydrogen 2.825 N/A ILE 121.A N ILE 148.A O no hydrogen 2.753 N/A THR 122.A N GLU 97.A O no hydrogen 3.184 N/A THR 122.A OG1 GLU 97.A O no hydrogen 2.847 N/A TYR 132.A N SER 149.A O no hydrogen 2.943 N/A TYR 132.A OH GLY 140.A O no hydrogen 2.915 N/A GLY 135.A N GLU 138.A OE2 no hydrogen 2.603 N/A VAL 136.A N VAL 133.A O no hydrogen 2.950 N/A ASN 137.A N VAL 133.A O no hydrogen 3.124 N/A ASN 137.A ND2 VAL 133.A O no hydrogen 3.321 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.954 N/A GLY 140.A N ASN 137.A O no hydrogen 2.937 N/A TYR 141.A N GLU 138.A O no hydrogen 3.266 N/A THR 142.A OG1 ASP 145.A OD2 no hydrogen 3.341 N/A ILE 148.A N VAL 119.A O no hydrogen 3.053 N/A SER 149.A N PRO 130.A O no hydrogen 2.933 N/A SER 149.A OG ALA 123.A O no hydrogen 2.647 N/A ALA 151.A N SER 149.A OG no hydrogen 3.192 N/A SER 152.A OG THR 155.A OG1 no hydrogen 2.653 N/A CYS 153.A SG ASN 316.A O no hydrogen 3.522 N/A THR 154.A OG1 TYR 314.A OH no hydrogen 3.224 N/A THR 155.A N SER 152.A OG no hydrogen 3.077 N/A THR 155.A OG1 SER 152.A OG no hydrogen 2.653 N/A ASN 156.A N SER 152.A O no hydrogen 2.873 N/A CYS 157.A N CYS 153.A O no hydrogen 2.942 N/A CYS 157.A N THR 154.A O no hydrogen 2.971 N/A CYS 157.A SG SER 293.A OG no hydrogen 3.587 N/A LEU 158.A N THR 154.A O no hydrogen 2.831 N/A ALA 159.A N THR 155.A O no hydrogen 2.914 N/A VAL 162.A N LEU 158.A O no hydrogen 3.063 N/A LYS 163.A N ALA 159.A O no hydrogen 2.860 N/A LYS 163.A NZ GLY 135.A O no hydrogen 3.420 N/A LYS 163.A NZ VAL 136.A O no hydrogen 3.382 N/A VAL 164.A N PRO 160.A O no hydrogen 3.297 N/A LEU 165.A N PHE 161.A O no hydrogen 2.810 N/A ASP 166.A N VAL 162.A O no hydrogen 2.772 N/A GLN 167.A N LYS 163.A O no hydrogen 2.708 N/A LYS 168.A N VAL 164.A O no hydrogen 2.984 N/A LYS 168.A N LEU 165.A O no hydrogen 3.312 N/A PHE 169.A N LEU 165.A O no hydrogen 2.842 N/A GLY 170.A N LEU 165.A O no hydrogen 3.063 N/A ILE 172.A N GLN 248.A O no hydrogen 2.786 N/A GLY 174.A N LYS 227.A O no hydrogen 2.994 N/A THR 175.A N VAL 246.A O no hydrogen 2.707 N/A THR 175.A OG1 ASN 229.A OD1 no hydrogen 3.063 N/A THR 177.A N ASP 244.A O no hydrogen 3.273 N/A THR 178.A N ILE 231.A O no hydrogen 2.910 N/A THR 178.A OG1 TYR 314.A OH no hydrogen 3.213 N/A HIS 180.A N LEU 233.A O no hydrogen 2.860 N/A HIS 180.A ND1 SER 181.A O no hydrogen 2.806 N/A SER 181.A N SER 241.A OG no hydrogen 2.905 N/A SER 181.A OG THR 237.A O no hydrogen 2.807 N/A SER 181.A OG THR 237.A OG1 no hydrogen 3.026 N/A SER 181.A OG VAL 240.A O no hydrogen 2.882 N/A TYR 182.A N THR 237.A O no hydrogen 3.064 N/A GLN 186.A N THR 183.A O no hydrogen 3.058 N/A ALA 191.A N ALA 199.A O no hydrogen 2.913 N/A ASP 195.A N HIS 193.A ND1 no hydrogen 3.087 N/A ARG 197.A N ASP 195.A OD1 no hydrogen 2.958 N/A ARG 198.A N ASP 195.A O no hydrogen 2.914 N/A ARG 198.A NE ASP 195.A OD2 no hydrogen 3.257 N/A ARG 200.A NE ASP 190.A OD2 no hydrogen 2.797 N/A ARG 200.A NH2 ASP 190.A OD2 no hydrogen 3.466 N/A ALA 201.A N ASP 190.A OD1 no hydrogen 2.722 N/A ALA 202.A N ARG 187.A O no hydrogen 2.770 N/A VAL 207.A N ARG 234.A O no hydrogen 2.988 N/A THR 209.A N ALA 232.A O no hydrogen 2.818 N/A ALA 213.A N THR 211.A OG1 no hydrogen 3.330 N/A ALA 216.A N GLY 212.A O no hydrogen 2.911 N/A VAL 217.A N ALA 213.A O no hydrogen 3.043 N/A VAL 217.A N ALA 214.A O no hydrogen 3.279 N/A ALA 218.A N LYS 215.A O no hydrogen 2.916 N/A LEU 219.A N ALA 216.A O no hydrogen 3.195 N/A VAL 220.A N VAL 217.A O no hydrogen 2.856 N/A LEU 221.A N VAL 217.A O no hydrogen 2.950 N/A LEU 224.A N LEU 221.A O no hydrogen 2.814 N/A LYS 225.A N PRO 222.A O no hydrogen 3.048 N/A LYS 227.A N LEU 224.A O no hydrogen 3.032 N/A ILE 231.A N MET 176.A O no hydrogen 3.022 N/A ALA 232.A N THR 209.A O no hydrogen 2.795 N/A LEU 233.A N THR 178.A O no hydrogen 3.060 N/A ARG 234.A N VAL 207.A O no hydrogen 2.710 N/A VAL 235.A N HIS 180.A O no hydrogen 2.757 N/A THR 237.A N VAL 235.A O no hydrogen 2.806 N/A THR 237.A OG1 SER 181.A OG no hydrogen 3.026 N/A ASN 239.A ND2 ASP 315.A OD1 no hydrogen 2.900 N/A SER 241.A N TYR 314.A O no hydrogen 2.909 N/A SER 241.A OG ASN 316.A OD1 no hydrogen 2.637 N/A VAL 242.A N THR 179.A O no hydrogen 2.655 N/A VAL 243.A N ALA 312.A O no hydrogen 2.900 N/A ASP 244.A N THR 177.A O no hydrogen 2.695 N/A LEU 245.A N VAL 310.A O no hydrogen 2.942 N/A VAL 246.A N THR 175.A O no hydrogen 2.806 N/A VAL 247.A N VAL 308.A O no hydrogen 2.829 N/A GLN 248.A N LYS 173.A O no hydrogen 2.796 N/A VAL 249.A N ASP 306.A O no hydrogen 2.858 N/A SER 250.A N PHE 169.A O no hydrogen 3.173 N/A SER 250.A N GLY 170.A O no hydrogen 2.978 N/A SER 250.A OG PHE 169.A O no hydrogen 3.167 N/A SER 250.A OG GLY 170.A O no hydrogen 3.368 N/A LYS 251.A N PHE 169.A O no hydrogen 3.091 N/A THR 253.A N ASP 305.A O no hydrogen 3.246 N/A THR 253.A OG1 GLU 257.A OE2 no hydrogen 2.731 N/A PHE 254.A N THR 253.A OG1 no hydrogen 2.706 N/A GLU 257.A N PHE 254.A O no hydrogen 2.817 N/A VAL 258.A N PHE 254.A O no hydrogen 3.214 N/A ASN 259.A N ALA 255.A O no hydrogen 3.209 N/A ASN 259.A ND2 THR 300.A OG1 no hydrogen 2.625 N/A ALA 260.A N GLU 256.A O no hydrogen 3.189 N/A ALA 261.A N GLU 257.A O no hydrogen 3.301 N/A ALA 261.A N VAL 258.A O no hydrogen 2.643 N/A PHE 262.A N VAL 258.A O no hydrogen 3.326 N/A ARG 263.A N ASN 259.A O no hydrogen 3.125 N/A ARG 263.A NH2 ASP 278.A OD1 no hydrogen 3.181 N/A GLU 264.A N ALA 260.A O no hydrogen 2.895 N/A SER 265.A N ALA 261.A O no hydrogen 3.262 N/A SER 265.A N PHE 262.A O no hydrogen 2.784 N/A SER 265.A OG ALA 261.A O no hydrogen 3.318 N/A SER 265.A OG GLU 269.A OE1 no hydrogen 3.095 N/A SER 265.A OG GLU 269.A OE2 no hydrogen 3.107 N/A ALA 266.A N PHE 262.A O no hydrogen 2.715 N/A ASP 267.A N ARG 263.A O no hydrogen 3.161 N/A ASN 268.A N SER 265.A O no hydrogen 2.998 N/A ASN 268.A ND2 GLU 264.A O no hydrogen 2.966 N/A LEU 270.A N SER 265.A O no hydrogen 2.852 N/A LYS 271.A N ASN 268.A O no hydrogen 3.211 N/A ILE 273.A N LEU 270.A O no hydrogen 2.810 N/A LEU 274.A N LEU 270.A O no hydrogen 2.879 N/A SER 275.A N SER 293.A O no hydrogen 2.990 N/A CYS 277.A N ILE 295.A O no hydrogen 2.820 N/A CYS 277.A SG GLU 279.A O no hydrogen 3.799 N/A LEU 281.A N GLU 279.A O no hydrogen 2.789 N/A VAL 282.A N ASP 285.A OD2 no hydrogen 2.966 N/A ASP 285.A N VAL 282.A O no hydrogen 2.907 N/A PHE 286.A N SER 283.A O no hydrogen 3.213 N/A CYS 288.A N ASP 315.A OD2 no hydrogen 2.705 N/A THR 289.A N PHE 286.A O no hydrogen 3.294 N/A THR 289.A OG1 PHE 286.A O no hydrogen 2.994 N/A SER 292.A OG ASN 156.A O no hydrogen 3.412 N/A SER 293.A OG CYS 157.A O no hydrogen 2.978 N/A THR 294.A N TRP 313.A O no hydrogen 2.971 N/A ILE 295.A N SER 275.A O no hydrogen 2.872 N/A ASP 296.A N ILE 311.A O no hydrogen 2.830 N/A SER 297.A N CYS 277.A O no hydrogen 3.033 N/A SER 297.A OG CYS 277.A O no hydrogen 3.018 N/A SER 297.A OG ASP 278.A OD1 no hydrogen 2.295 N/A LEU 299.A N ASP 296.A O no hydrogen 2.942 N/A THR 300.A N SER 297.A O no hydrogen 3.355 N/A THR 300.A OG1 SER 297.A O no hydrogen 3.561 N/A MET 301.A N LYS 309.A O no hydrogen 3.101 N/A MET 303.A N MET 307.A O no hydrogen 2.984 N/A VAL 308.A N VAL 247.A O no hydrogen 2.709 N/A LYS 309.A N MET 301.A O no hydrogen 2.766 N/A VAL 310.A N LEU 245.A O no hydrogen 2.964 N/A ALA 312.A N VAL 243.A O no hydrogen 3.145 N/A TRP 313.A N THR 294.A O no hydrogen 2.769 N/A TRP 313.A NE1 ASP 296.A OD2 no hydrogen 2.947 N/A TYR 314.A N SER 241.A O no hydrogen 2.835 N/A TYR 314.A OH THR 154.A OG1 no hydrogen 3.224 N/A TYR 314.A OH THR 178.A OG1 no hydrogen 3.213 N/A GLU 317.A N ASP 315.A OD1 no hydrogen 3.270 N/A TRP 318.A N ASP 315.A OD1 no hydrogen 3.122 N/A TRP 318.A NE1 ASP 290.A OD1 no hydrogen 3.096 N/A TYR 320.A OH THR 122.A O no hydrogen 2.599 N/A TYR 320.A OH ALA 151.A O no hydrogen 2.953 N/A SER 321.A N GLU 317.A O no hydrogen 3.081 N/A GLN 322.A N TRP 318.A O no hydrogen 2.899 N/A ARG 323.A N GLY 319.A O no hydrogen 3.248 N/A ARG 323.A N TYR 320.A O no hydrogen 2.795 N/A ARG 323.A NE ASP 326.A OD2 no hydrogen 2.895 N/A ARG 323.A NH1 ASP 290.A O no hydrogen 3.045 N/A ARG 323.A NH2 ASP 290.A O no hydrogen 3.233 N/A ARG 323.A NH2 ASP 326.A OD2 no hydrogen 2.788 N/A VAL 324.A N TYR 320.A O no hydrogen 3.026 N/A VAL 325.A N SER 321.A O no hydrogen 3.106 N/A ASP 326.A N GLN 322.A O no hydrogen 2.982 N/A LEU 327.A N ARG 323.A O no hydrogen 2.620 N/A ALA 328.A N VAL 324.A O no hydrogen 2.797 N/A ASP 329.A N VAL 325.A O no hydrogen 2.847 N/A ILE 330.A N ASP 326.A O no hydrogen 3.286 N/A ILE 330.A N LEU 327.A O no hydrogen 3.007 N/A VAL 331.A N LEU 327.A O no hydrogen 3.079 N/A ALA 332.A N ALA 328.A O no hydrogen 3.041 N/A ASN 333.A N ASP 329.A O no hydrogen 3.080 N/A LYS 334.A N ILE 330.A O no hydrogen 3.016 N/A