Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ke9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLY 286.A O no hydrogen 3.494 N/A GLN 2.A N LYS 260.A O no hydrogen 2.950 N/A LEU 4.A N VAL 262.A O no hydrogen 2.951 N/A LEU 5.A N ILE 291.A O no hydrogen 2.866 N/A ALA 6.A N VAL 264.A O no hydrogen 2.997 N/A ASN 7.A ND2 LEU 293.A O no hydrogen 3.021 N/A ARG 9.A NH1 ALA 6.A O no hydrogen 2.915 N/A GLY 10.A N ALA 266.A O no hydrogen 2.914 N/A CYS 12.A SG ALA 268.A O no hydrogen 3.879 N/A ALA 13.A N TYR 198.A OH no hydrogen 2.955 N/A ASP 16.A N CYS 12.A O no hydrogen 3.180 N/A ARG 17.A N ALA 13.A O no hydrogen 3.142 N/A ARG 17.A NE GLU 303.A O no hydrogen 3.093 N/A ALA 18.A N GLY 14.A O no hydrogen 2.917 N/A ILE 19.A N VAL 15.A O no hydrogen 2.950 N/A SER 20.A N ASP 16.A O no hydrogen 3.072 N/A SER 20.A OG ASP 16.A O no hydrogen 3.028 N/A ILE 21.A N ARG 17.A O no hydrogen 2.873 N/A VAL 22.A N ALA 18.A O no hydrogen 3.297 N/A GLU 23.A N ILE 19.A O no hydrogen 2.952 N/A ASN 24.A N SER 20.A O no hydrogen 2.853 N/A ASN 24.A ND2 LEU 308.A O no hydrogen 3.122 N/A ALA 25.A N ILE 21.A O no hydrogen 2.989 N/A LEU 26.A N VAL 22.A O no hydrogen 2.995 N/A ALA 27.A N GLU 23.A O no hydrogen 2.896 N/A ILE 28.A N ASN 24.A O no hydrogen 2.818 N/A TYR 29.A N ALA 25.A O no hydrogen 2.730 N/A ILE 33.A N GLY 53.A O no hydrogen 3.302 N/A TYR 34.A N ILE 68.A O no hydrogen 2.984 N/A VAL 35.A N ILE 55.A O no hydrogen 2.838 N/A ARG 36.A N ILE 70.A O no hydrogen 3.032 N/A HIS 37.A N ILE 57.A O no hydrogen 2.693 N/A ASN 42.A N VAL 40.A O no hydrogen 2.903 N/A ARG 43.A N SER 222.A OG no hydrogen 3.078 N/A VAL 46.A N ASN 42.A O no hydrogen 2.997 N/A ASP 47.A N ARG 43.A O no hydrogen 2.963 N/A SER 48.A N TYR 44.A O no hydrogen 2.865 N/A SER 48.A OG TYR 44.A O no hydrogen 3.161 N/A LEU 49.A N VAL 45.A O no hydrogen 3.075 N/A ARG 50.A N VAL 46.A O no hydrogen 3.023 N/A GLU 51.A N ASP 47.A O no hydrogen 3.079 N/A ARG 52.A N SER 48.A O no hydrogen 3.257 N/A GLY 53.A N ARG 50.A O no hydrogen 2.808 N/A ALA 54.A N LEU 49.A O no hydrogen 2.995 N/A ILE 55.A N ILE 33.A O no hydrogen 2.770 N/A ILE 57.A N VAL 35.A O no hydrogen 2.925 N/A GLU 58.A N GLU 62.A OE2 no hydrogen 2.780 N/A GLN 59.A N GLU 62.A OE2 no hydrogen 2.911 N/A GLU 62.A N GLN 59.A O no hydrogen 2.877 N/A VAL 63.A N ILE 60.A O no hydrogen 2.893 N/A GLY 66.A N ASP 88.A O no hydrogen 2.800 N/A ALA 67.A N PRO 64.A O no hydrogen 3.436 N/A LEU 69.A N THR 90.A O no hydrogen 2.691 N/A ILE 70.A N TYR 34.A O no hydrogen 2.854 N/A PHE 71.A N PHE 92.A O no hydrogen 2.976 N/A SER 72.A OG HIS 74.A ND1 no hydrogen 2.988 N/A ALA 73.A N VAL 39.A O no hydrogen 3.009 N/A HIS 74.A N SER 72.A OG no hydrogen 3.342 N/A HIS 74.A ND1 SER 72.A OG no hydrogen 2.988 N/A GLY 75.A N SER 72.A O no hydrogen 3.083 N/A GLN 78.A N GLY 132.A O no hydrogen 3.016 N/A VAL 80.A N SER 77.A OG no hydrogen 3.330 N/A ARG 81.A N SER 77.A O no hydrogen 3.074 N/A ARG 81.A NH2 ASP 93.A OD1 no hydrogen 2.913 N/A ASN 82.A N GLN 78.A O no hydrogen 2.751 N/A GLU 83.A N ALA 79.A O no hydrogen 2.777 N/A ALA 84.A N VAL 80.A O no hydrogen 2.932 N/A LYS 85.A N ARG 81.A O no hydrogen 3.070 N/A SER 86.A N ASN 82.A O no hydrogen 2.737 N/A SER 86.A OG ASN 82.A O no hydrogen 3.419 N/A SER 86.A OG GLU 83.A O no hydrogen 2.961 N/A ARG 87.A N ALA 84.A O no hydrogen 3.346 N/A ARG 87.A NH1 ILE 60.A O no hydrogen 3.218 N/A ARG 87.A NH2 VAL 63.A O no hydrogen 2.478 N/A THR 90.A N ALA 67.A O no hydrogen 3.310 N/A PHE 92.A N LEU 69.A O no hydrogen 2.882 N/A ALA 94.A N PHE 71.A O no hydrogen 3.124 N/A THR 95.A N ASP 93.A OD2 no hydrogen 2.968 N/A THR 95.A OG1 ASP 93.A OD1 no hydrogen 3.457 N/A THR 95.A OG1 ASP 93.A OD2 no hydrogen 2.413 N/A CYS 96.A N ALA 73.A O no hydrogen 3.046 N/A VAL 99.A N CYS 96.A O no hydrogen 2.905 N/A THR 100.A N CYS 96.A O no hydrogen 2.996 N/A THR 100.A OG1 CYS 96.A O no hydrogen 3.408 N/A LYS 101.A N PRO 97.A O no hydrogen 2.944 N/A HIS 103.A N VAL 99.A O no hydrogen 2.964 N/A MET 104.A N THR 100.A O no hydrogen 2.938 N/A GLU 105.A N LYS 101.A O no hydrogen 3.431 N/A VAL 106.A N VAL 102.A O no hydrogen 3.114 N/A ALA 107.A N HIS 103.A O no hydrogen 2.958 N/A ARG 108.A N MET 104.A O no hydrogen 2.771 N/A ALA 109.A N GLU 105.A O no hydrogen 3.096 N/A SER 110.A N VAL 106.A O no hydrogen 2.832 N/A ARG 111.A N ALA 107.A O no hydrogen 3.007 N/A ARG 111.A N ARG 108.A O no hydrogen 3.145 N/A ARG 112.A N ARG 108.A O no hydrogen 3.234 N/A ARG 112.A N ALA 109.A O no hydrogen 3.255 N/A GLY 113.A N SER 110.A O no hydrogen 3.411 N/A GLU 114.A N ALA 109.A O no hydrogen 3.104 N/A SER 116.A N GLY 140.A O no hydrogen 2.830 N/A SER 116.A OG SER 162.A OG no hydrogen 2.874 N/A ILE 117.A N SER 162.A O no hydrogen 2.836 N/A LEU 118.A N TYR 142.A O no hydrogen 2.735 N/A ILE 119.A N MET 164.A O no hydrogen 2.907 N/A GLY 120.A N VAL 144.A O no hydrogen 3.164 N/A HIS 121.A N GLN 166.A OE1 no hydrogen 2.862 N/A ALA 122.A N GLU 145.A OE2 no hydrogen 3.071 N/A HIS 124.A N HIS 121.A O no hydrogen 3.274 N/A GLU 126.A N HIS 124.A ND1 no hydrogen 2.900 N/A GLU 128.A N HIS 124.A O no hydrogen 3.045 N/A GLY 129.A N PRO 125.A O no hydrogen 2.929 N/A THR 130.A N GLU 126.A O no hydrogen 2.898 N/A THR 130.A OG1 GLU 126.A O no hydrogen 3.112 N/A MET 131.A N VAL 127.A O no hydrogen 2.875 N/A GLY 132.A N GLU 128.A O no hydrogen 2.966 N/A GLN 133.A N THR 130.A O no hydrogen 3.109 N/A GLN 133.A NE2 GLN 78.A OE1 no hydrogen 3.416 N/A TYR 134.A N MET 131.A O no hydrogen 3.210 N/A TYR 134.A OH GLU 114.A O no hydrogen 2.661 N/A SER 135.A N SER 110.A OG no hydrogen 3.018 N/A GLY 139.A N ASN 136.A O no hydrogen 3.044 N/A GLY 140.A N TYR 134.A OH no hydrogen 3.148 N/A TYR 142.A N SER 116.A O no hydrogen 3.001 N/A TYR 142.A OH GLU 115.A OE1 no hydrogen 2.494 N/A VAL 144.A N LEU 118.A O no hydrogen 2.936 N/A GLU 145.A N ASP 149.A OD2 no hydrogen 2.751 N/A ASP 149.A N SER 146.A OG no hydrogen 3.425 N/A VAL 150.A N SER 146.A O no hydrogen 3.208 N/A TRP 151.A N PRO 147.A O no hydrogen 2.815 N/A LYS 152.A N ASP 149.A O no hydrogen 3.396 N/A LYS 152.A NZ ASP 149.A OD1 no hydrogen 3.514 N/A LEU 153.A N VAL 150.A O no hydrogen 3.181 N/A LYS 156.A N GLU 115.A OE1 no hydrogen 2.870 N/A LYS 156.A NZ GLY 139.A O no hydrogen 3.280 N/A ASN 157.A N GLU 115.A OE2 no hydrogen 2.661 N/A GLU 159.A N ASN 157.A OD1 no hydrogen 3.066 N/A LYS 160.A N ASN 157.A O no hydrogen 3.234 N/A SER 162.A N GLU 115.A O no hydrogen 3.344 N/A SER 162.A OG SER 116.A OG no hydrogen 2.874 N/A PHE 163.A N VAL 189.A O no hydrogen 3.013 N/A MET 164.A N ILE 117.A O no hydrogen 2.869 N/A THR 165.A N ASP 195.A OD1 no hydrogen 2.966 N/A THR 165.A OG1 GLN 166.A O no hydrogen 2.947 N/A GLN 166.A N ILE 119.A O no hydrogen 2.927 N/A THR 167.A N GLU 126.A OE1 no hydrogen 2.761 N/A THR 167.A OG1 GLU 126.A OE1 no hydrogen 3.339 N/A THR 167.A OG1 GLU 126.A OE2 no hydrogen 2.708 N/A THR 168.A OG1 SER 226.A OG no hydrogen 3.127 N/A VAL 171.A N GLN 204.A OE1 no hydrogen 2.934 N/A ASP 173.A N SER 170.A OG no hydrogen 3.019 N/A THR 174.A N SER 170.A O no hydrogen 3.037 N/A THR 174.A OG1 SER 170.A O no hydrogen 2.726 N/A SER 175.A N VAL 171.A O no hydrogen 3.149 N/A ASP 176.A N ASP 172.A O no hydrogen 3.239 N/A VAL 177.A N ASP 173.A O no hydrogen 3.098 N/A ILE 178.A N THR 174.A O no hydrogen 2.864 N/A ASP 179.A N SER 175.A O no hydrogen 2.963 N/A ALA 180.A N ASP 176.A O no hydrogen 3.174 N/A LEU 181.A N VAL 177.A O no hydrogen 2.973 N/A ARG 182.A N ILE 178.A O no hydrogen 3.015 N/A LYS 183.A N ASP 179.A O no hydrogen 3.160 N/A ARG 184.A N ALA 180.A O no hydrogen 2.916 N/A ARG 184.A NH1 LEU 153.A O no hydrogen 2.732 N/A PHE 185.A N LEU 181.A O no hydrogen 2.650 N/A ILE 188.A N PHE 185.A O no hydrogen 2.846 N/A VAL 189.A N LEU 161.A O no hydrogen 2.818 N/A ASP 195.A N THR 165.A OG1 no hydrogen 3.062 N/A ILE 196.A N ASP 194.A OD1 no hydrogen 2.837 N/A CYS 197.A N THR 167.A O no hydrogen 3.239 N/A CYS 197.A SG THR 167.A O no hydrogen 3.749 N/A CYS 197.A SG THR 200.A OG1 no hydrogen 3.099 N/A THR 200.A OG1 THR 167.A O no hydrogen 2.920 N/A THR 201.A N CYS 197.A O no hydrogen 3.026 N/A THR 201.A OG1 CYS 197.A O no hydrogen 3.381 N/A ASN 202.A N TYR 198.A O no hydrogen 2.790 N/A ASN 202.A ND2 GLU 298.A OE2 no hydrogen 2.844 N/A ARG 203.A N ALA 199.A O no hydrogen 2.978 N/A ARG 203.A NE GLY 10.A O no hydrogen 2.857 N/A ARG 203.A NH1 GLY 10.A O no hydrogen 3.088 N/A ARG 203.A NH1 PHE 11.A O no hydrogen 3.360 N/A ARG 203.A NH1 GLU 298.A OE1 no hydrogen 2.854 N/A ARG 203.A NH2 ALA 199.A O no hydrogen 2.987 N/A ARG 203.A NH2 GLU 298.A OE1 no hydrogen 3.413 N/A ARG 203.A NH2 GLU 298.A OE2 no hydrogen 2.842 N/A GLN 204.A N THR 200.A O no hydrogen 3.106 N/A GLN 204.A NE2 LEU 169.A O no hydrogen 2.960 N/A GLU 205.A N THR 201.A O no hydrogen 3.051 N/A ALA 206.A N ASN 202.A O no hydrogen 2.912 N/A VAL 207.A N ARG 203.A O no hydrogen 2.966 N/A ARG 208.A N GLN 204.A O no hydrogen 3.040 N/A ALA 209.A N GLU 205.A O no hydrogen 3.245 N/A LEU 210.A N ALA 206.A O no hydrogen 3.034 N/A ALA 211.A N VAL 207.A O no hydrogen 2.815 N/A GLU 212.A N ARG 208.A O no hydrogen 3.265 N/A GLN 213.A N LEU 210.A O no hydrogen 2.974 N/A ALA 214.A N LEU 210.A O no hydrogen 2.935 N/A GLU 215.A N CYS 261.A O no hydrogen 2.784 N/A VAL 217.A N ARG 241.A O no hydrogen 2.820 N/A LEU 218.A N GLY 263.A O no hydrogen 2.802 N/A VAL 219.A N PHE 243.A O no hydrogen 2.810 N/A VAL 220.A N THR 265.A O no hydrogen 2.884 N/A GLY 221.A N ILE 245.A O no hydrogen 2.875 N/A SER 222.A OG ASP 246.A OD1 no hydrogen 2.573 N/A LYS 223.A NZ LEU 244.A O no hydrogen 2.706 N/A ASN 224.A ND2 GLU 38.A OE2 no hydrogen 2.393 N/A SER 225.A N SER 222.A O no hydrogen 2.895 N/A SER 225.A OG SER 228.A OG no hydrogen 2.736 N/A SER 226.A OG THR 168.A OG1 no hydrogen 3.127 N/A SER 228.A N SER 225.A OG no hydrogen 3.367 N/A SER 228.A OG SER 225.A OG no hydrogen 2.736 N/A ASN 229.A N SER 225.A O no hydrogen 3.133 N/A ARG 230.A N SER 226.A O no hydrogen 3.171 N/A ARG 230.A NH2 GLU 233.A OE1 no hydrogen 3.053 N/A ARG 230.A NH2 GLU 233.A OE2 no hydrogen 3.558 N/A LEU 231.A N ASN 227.A O no hydrogen 3.275 N/A LEU 231.A N SER 228.A O no hydrogen 3.059 N/A ALA 232.A N SER 228.A O no hydrogen 3.321 N/A GLU 233.A N ASN 229.A O no hydrogen 2.956 N/A LEU 234.A N ARG 230.A O no hydrogen 3.005 N/A ALA 235.A N LEU 231.A O no hydrogen 3.216 N/A GLN 236.A N ALA 232.A O no hydrogen 2.894 N/A ARG 237.A N GLU 233.A O no hydrogen 2.917 N/A ARG 237.A NH1 ASP 173.A OD1 no hydrogen 3.168 N/A ARG 237.A NH2 ASP 173.A OD1 no hydrogen 3.337 N/A ARG 237.A NH2 ASP 173.A OD2 no hydrogen 2.917 N/A MET 238.A N LEU 234.A O no hydrogen 3.273 N/A MET 238.A N ALA 235.A O no hydrogen 3.053 N/A GLY 239.A N GLN 236.A O no hydrogen 2.990 N/A LYS 240.A N ALA 235.A O no hydrogen 3.331 N/A LYS 240.A NZ ALA 211.A O no hydrogen 2.748 N/A LYS 240.A NZ ALA 214.A O no hydrogen 3.161 N/A ARG 241.A N GLU 215.A O no hydrogen 3.358 N/A ARG 241.A NH1 GLU 254.A OE2 no hydrogen 3.021 N/A ARG 241.A NH2 GLU 254.A OE1 no hydrogen 3.180 N/A ARG 241.A NH2 GLU 254.A OE2 no hydrogen 3.321 N/A PHE 243.A N VAL 217.A O no hydrogen 2.965 N/A ILE 245.A N VAL 219.A O no hydrogen 3.001 N/A ASP 246.A N ASP 250.A OD2 no hydrogen 2.905 N/A ASP 247.A N ASP 250.A OD2 no hydrogen 3.349 N/A ASP 250.A N ASP 247.A O no hydrogen 3.061 N/A ILE 251.A N ALA 248.A O no hydrogen 3.074 N/A TRP 255.A N GLN 252.A O no hydrogen 2.979 N/A VAL 256.A N GLU 253.A O no hydrogen 3.024 N/A VAL 259.A N VAL 256.A O no hydrogen 3.171 N/A LYS 260.A N GLU 215.A OE1 no hydrogen 2.834 N/A CYS 261.A N GLU 215.A OE1 no hydrogen 3.192 N/A CYS 261.A SG GLN 213.A O no hydrogen 3.328 N/A VAL 262.A N GLN 2.A O no hydrogen 2.999 N/A GLY 263.A N VAL 216.A O no hydrogen 2.704 N/A VAL 264.A N LEU 4.A O no hydrogen 2.775 N/A THR 265.A N LEU 218.A O no hydrogen 2.918 N/A ALA 266.A N THR 265.A OG1 no hydrogen 2.716 N/A GLY 267.A N VAL 220.A O no hydrogen 2.891 N/A ALA 268.A N ASN 227.A OD1 no hydrogen 2.863 N/A SER 269.A OG HIS 41.A O no hydrogen 3.425 N/A ALA 270.A N GLY 267.A O no hydrogen 3.236 N/A LEU 274.A N PRO 271.A O no hydrogen 3.148 N/A GLN 276.A N ASP 272.A O no hydrogen 2.916 N/A GLN 276.A NE2 ASP 272.A OD1 no hydrogen 2.721 N/A ASN 277.A N ILE 273.A O no hydrogen 3.077 N/A VAL 278.A N LEU 274.A O no hydrogen 3.081 N/A VAL 279.A N VAL 275.A O no hydrogen 2.863 N/A ALA 280.A N GLN 276.A O no hydrogen 2.999 N/A ARG 281.A N ASN 277.A O no hydrogen 3.035 N/A ARG 281.A NE ARG 281.A O no hydrogen 3.365 N/A ARG 281.A NE GLN 284.A OE1 no hydrogen 2.860 N/A LEU 282.A N VAL 278.A O no hydrogen 2.930 N/A GLN 283.A N VAL 279.A O no hydrogen 2.939 N/A GLN 284.A N ALA 280.A O no hydrogen 3.164 N/A LEU 285.A N ARG 281.A O no hydrogen 3.119 N/A LEU 285.A N LEU 282.A O no hydrogen 3.171 N/A GLY 286.A N GLN 283.A O no hydrogen 3.120 N/A GLY 287.A N LEU 282.A O no hydrogen 2.753 N/A GLY 288.A N MET 1.A O no hydrogen 3.065 N/A ILE 291.A N ILE 3.A O no hydrogen 2.699 N/A LEU 293.A N LEU 5.A O no hydrogen 2.835 N/A ARG 296.A NE GLU 205.A OE2 no hydrogen 3.399 N/A ARG 296.A NH1 GLU 205.A OE2 no hydrogen 2.989 N/A LEU 308.A N PRO 305.A O no hydrogen 2.725 N/A ARG 309.A N LYS 306.A O no hydrogen 3.077 N/A