Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ki2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N THR 284.A O no hydrogen 2.440 N/A LEU 5.A N LEU 108.A O no hydrogen 2.807 N/A ARG 6.A NH1 TYR 8.A OH no hydrogen 2.809 N/A VAL 7.A N LEU 110.A O no hydrogen 2.557 N/A TYR 8.A N ASN 153.A O no hydrogen 2.959 N/A ILE 9.A N PHE 112.A O no hydrogen 2.875 N/A ASP 10.A N VAL 155.A O no hydrogen 2.873 N/A THR 20.A N GLY 16.A O no hydrogen 3.001 N/A THR 20.A OG1 GLY 16.A O no hydrogen 3.418 N/A THR 20.A OG1 LYS 17.A O no hydrogen 3.035 N/A THR 21.A N LYS 17.A O no hydrogen 2.737 N/A GLN 22.A N THR 18.A O no hydrogen 2.920 N/A LEU 24.A N THR 20.A O no hydrogen 3.130 N/A LEU 24.A N THR 21.A O no hydrogen 3.110 N/A VAL 25.A N THR 21.A O no hydrogen 3.270 N/A ASP 28.A N ASP 28.A OD1 no hydrogen 2.811 N/A VAL 30.A N THR 109.A O no hydrogen 2.844 N/A VAL 32.A N ILE 111.A O no hydrogen 2.702 N/A MET 36.A N GLU 34.A O no hydrogen 2.832 N/A THR 37.A N MET 306.A O no hydrogen 3.039 N/A THR 37.A OG1 MET 306.A O no hydrogen 3.119 N/A THR 37.A OG1 GLU 308.A OE1 no hydrogen 3.059 N/A TYR 38.A N PRO 35.A O no hydrogen 2.840 N/A TRP 39.A N PRO 35.A O no hydrogen 3.232 N/A TRP 39.A NE1 MET 79.A O no hydrogen 2.897 N/A ARG 40.A N MET 36.A O no hydrogen 2.668 N/A ARG 40.A NE GLU 308.A OE2 no hydrogen 3.043 N/A ARG 40.A NH1 GLU 46.A OE1 no hydrogen 3.430 N/A ARG 40.A NH1 GLU 46.A OE2 no hydrogen 2.641 N/A ARG 40.A NH2 GLU 308.A OE2 no hydrogen 3.091 N/A VAL 41.A N THR 37.A O no hydrogen 2.770 N/A LEU 42.A N THR 37.A O no hydrogen 2.808 N/A GLY 43.A N TYR 38.A O no hydrogen 2.759 N/A GLU 46.A N ARG 40.A O no hydrogen 2.977 N/A THR 47.A N TRP 39.A O no hydrogen 2.977 N/A THR 47.A OG1 TRP 39.A O no hydrogen 2.499 N/A ASN 50.A N GLU 46.A O no hydrogen 3.127 N/A ILE 51.A N THR 47.A O no hydrogen 2.841 N/A TYR 52.A N ILE 48.A O no hydrogen 3.061 N/A THR 53.A N ALA 49.A O no hydrogen 2.778 N/A THR 53.A OG1 ALA 49.A O no hydrogen 2.766 N/A THR 54.A N ASN 50.A O no hydrogen 3.110 N/A THR 54.A OG1 ASN 50.A O no hydrogen 2.689 N/A GLN 55.A N ILE 51.A O no hydrogen 3.173 N/A GLN 55.A NE2 ASP 59.A OD1 no hydrogen 3.389 N/A GLN 55.A NE2 MET 130.A O no hydrogen 3.461 N/A HIS 56.A N TYR 52.A O no hydrogen 2.983 N/A ARG 57.A N THR 53.A O no hydrogen 2.640 N/A LEU 58.A N THR 54.A O no hydrogen 2.893 N/A ASP 59.A N GLN 55.A O no hydrogen 2.699 N/A GLN 60.A N ARG 57.A O no hydrogen 3.295 N/A GLN 60.A NE2 ASP 59.A O no hydrogen 3.447 N/A GLY 61.A N LEU 58.A O no hydrogen 2.745 N/A GLU 62.A N ARG 57.A O no hydrogen 2.933 N/A ASP 67.A N SER 64.A OG no hydrogen 3.031 N/A ALA 68.A N SER 64.A O no hydrogen 2.801 N/A VAL 70.A N GLY 66.A O no hydrogen 3.318 N/A MET 72.A N ALA 68.A O no hydrogen 2.826 N/A THR 73.A N ALA 69.A O no hydrogen 2.895 N/A THR 73.A OG1 ALA 69.A O no hydrogen 2.633 N/A SER 74.A N VAL 70.A O no hydrogen 2.949 N/A ALA 75.A N VAL 71.A O no hydrogen 3.134 N/A GLN 76.A N MET 72.A O no hydrogen 3.362 N/A GLN 76.A NE2 MET 72.A O no hydrogen 3.691 N/A ILE 77.A N SER 74.A O no hydrogen 2.843 N/A THR 78.A N SER 74.A O no hydrogen 3.387 N/A MET 79.A N ALA 75.A O no hydrogen 2.819 N/A GLY 80.A N GLN 76.A O no hydrogen 3.325 N/A TYR 83.A N GLY 80.A O no hydrogen 3.193 N/A ALA 84.A N GLY 80.A O no hydrogen 3.259 N/A VAL 85.A N MET 81.A O no hydrogen 3.017 N/A THR 86.A N PRO 82.A O no hydrogen 3.317 N/A THR 86.A OG1 PRO 82.A O no hydrogen 2.516 N/A ASP 87.A N TYR 83.A O no hydrogen 3.120 N/A ALA 88.A N ALA 84.A O no hydrogen 2.923 N/A VAL 89.A N VAL 85.A O no hydrogen 2.981 N/A LEU 90.A N THR 86.A O no hydrogen 3.129 N/A ALA 91.A N ASP 87.A O no hydrogen 3.054 N/A ILE 94.A N ALA 91.A O no hydrogen 3.270 N/A GLY 95.A N HIS 285.A O no hydrogen 2.973 N/A ALA 98.A N GLN 283.A O no hydrogen 3.034 N/A ALA 107.A N THR 3.A O no hydrogen 3.100 N/A THR 109.A N ASP 28.A O no hydrogen 2.387 N/A LEU 110.A N LEU 5.A O no hydrogen 2.704 N/A ILE 111.A N VAL 30.A O no hydrogen 3.096 N/A PHE 112.A N VAL 7.A O no hydrogen 2.735 N/A ARG 114.A N ILE 9.A O no hydrogen 2.656 N/A HIS 115.A N ASP 10.A OD2 no hydrogen 2.872 N/A ILE 117.A N HIS 115.A ND1 no hydrogen 3.195 N/A ALA 118.A N HIS 115.A O no hydrogen 3.151 N/A LEU 120.A N PRO 116.A O no hydrogen 2.851 N/A LEU 121.A N ILE 117.A O no hydrogen 2.465 N/A CYS 122.A N ILE 117.A O no hydrogen 2.874 N/A TYR 123.A N ALA 118.A O no hydrogen 2.728 N/A ALA 125.A N LEU 121.A O no hydrogen 3.013 N/A ALA 126.A N CYS 122.A O no hydrogen 3.014 N/A ARG 127.A N TYR 123.A O no hydrogen 2.687 N/A ARG 127.A NH1 GLN 55.A OE1 no hydrogen 2.789 N/A TYR 128.A N PRO 124.A O no hydrogen 2.887 N/A TYR 128.A N ALA 125.A O no hydrogen 3.158 N/A LEU 129.A N ALA 125.A O no hydrogen 3.137 N/A MET 130.A N ARG 127.A O no hydrogen 3.187 N/A GLY 131.A N TYR 128.A O no hydrogen 2.560 N/A SER 132.A N ARG 127.A O no hydrogen 3.066 N/A SER 132.A OG GLN 55.A OE1 no hydrogen 2.684 N/A SER 132.A OG ARG 127.A O no hydrogen 2.488 N/A MET 133.A N ARG 127.A O no hydrogen 3.268 N/A GLN 136.A N GLN 136.A OE1 no hydrogen 2.453 N/A ALA 137.A N THR 134.A OG1 no hydrogen 3.393 N/A VAL 138.A N THR 134.A O no hydrogen 3.149 N/A LEU 139.A N PRO 135.A O no hydrogen 3.066 N/A ALA 140.A N GLN 136.A O no hydrogen 2.918 N/A ALA 140.A N ALA 137.A O no hydrogen 3.079 N/A PHE 141.A N ALA 137.A O no hydrogen 3.268 N/A VAL 142.A N VAL 138.A O no hydrogen 3.116 N/A ALA 143.A N LEU 139.A O no hydrogen 3.138 N/A LEU 144.A N PHE 141.A O no hydrogen 3.188 N/A ILE 145.A N VAL 142.A O no hydrogen 3.184 N/A THR 148.A OG1 ARG 252.A O no hydrogen 2.687 N/A THR 152.A OG1 LEU 149.A O no hydrogen 2.923 N/A ASN 153.A ND2 ARG 6.A O no hydrogen 2.780 N/A ASN 153.A ND2 VAL 282.A O no hydrogen 3.047 N/A ILE 154.A N HIS 257.A O no hydrogen 2.542 N/A VAL 155.A N TYR 8.A O no hydrogen 3.083 N/A LEU 156.A N PHE 259.A O no hydrogen 2.942 N/A ALA 158.A N LEU 261.A O no hydrogen 3.160 N/A HIS 164.A N PRO 160.A O no hydrogen 2.821 N/A HIS 164.A NE2 HIS 13.A O no hydrogen 2.478 N/A ILE 165.A N GLU 161.A O no hydrogen 2.632 N/A ASP 166.A N ASP 162.A O no hydrogen 2.917 N/A ASP 166.A N ARG 163.A O no hydrogen 3.232 N/A ARG 167.A N ARG 163.A O no hydrogen 3.011 N/A ARG 167.A NH1 MET 15.A O no hydrogen 2.701 N/A ARG 167.A NH2 GLN 265.A O no hydrogen 2.687 N/A LEU 168.A N HIS 164.A O no hydrogen 2.889 N/A LYS 170.A N ARG 167.A O no hydrogen 2.902 N/A ARG 171.A N ARG 167.A O no hydrogen 3.137 N/A ARG 171.A NH1 ARG 167.A O no hydrogen 3.219 N/A ARG 173.A N GLU 176.A OE1 no hydrogen 2.895 N/A GLU 176.A N ARG 173.A O no hydrogen 2.903 N/A ARG 177.A NH2 THR 53.A OG1 no hydrogen 3.223 N/A ASP 179.A N ARG 177.A O no hydrogen 2.651 N/A ALA 181.A N ASP 179.A OD1 no hydrogen 3.222 N/A MET 182.A N ASP 179.A OD1 no hydrogen 3.269 N/A LEU 183.A N ASP 179.A O no hydrogen 3.062 N/A ALA 184.A N LEU 180.A O no hydrogen 3.034 N/A ALA 185.A N ALA 181.A O no hydrogen 2.650 N/A ILE 186.A N MET 182.A O no hydrogen 2.969 N/A ARG 187.A N LEU 183.A O no hydrogen 3.177 N/A ARG 187.A NE HIS 164.A ND1 no hydrogen 3.222 N/A ARG 188.A N ALA 184.A O no hydrogen 3.186 N/A VAL 189.A N ALA 185.A O no hydrogen 2.961 N/A TYR 190.A N ILE 186.A O no hydrogen 3.017 N/A TYR 190.A OH ASP 10.A OD1 no hydrogen 2.414 N/A GLY 191.A N ARG 187.A O no hydrogen 2.887 N/A LEU 192.A N ARG 188.A O no hydrogen 2.905 N/A LEU 193.A N VAL 189.A O no hydrogen 2.810 N/A ALA 194.A N TYR 190.A O no hydrogen 2.893 N/A ASN 195.A N GLY 191.A O no hydrogen 3.049 N/A ASN 195.A ND2 ASP 220.A O no hydrogen 2.998 N/A THR 196.A N LEU 192.A O no hydrogen 2.679 N/A THR 196.A OG1 LEU 192.A O no hydrogen 2.698 N/A VAL 197.A N LEU 193.A O no hydrogen 3.235 N/A ARG 198.A N ALA 194.A O no hydrogen 3.397 N/A TYR 199.A N ASN 195.A O no hydrogen 2.802 N/A LEU 200.A N THR 196.A O no hydrogen 2.726 N/A GLN 201.A N VAL 197.A O no hydrogen 2.860 N/A GLN 201.A NE2 ARG 254.A O no hydrogen 2.865 N/A GLN 201.A NE2 MET 256.A O no hydrogen 2.772 N/A CYS 202.A N TYR 199.A O no hydrogen 3.326 N/A CYS 202.A SG ARG 198.A O no hydrogen 3.162 N/A CYS 202.A SG PRO 214.A O no hydrogen 3.696 N/A GLY 203.A N LEU 200.A O no hydrogen 2.817 N/A GLY 204.A N TYR 199.A O no hydrogen 3.114 N/A ARG 207.A NE ASP 247.A OD1 no hydrogen 3.211 N/A ARG 207.A NH2 ASP 247.A OD2 no hydrogen 2.994 N/A GLU 208.A N SER 205.A O no hydrogen 2.764 N/A ASP 209.A N SER 205.A O no hydrogen 3.045 N/A TRP 210.A N TRP 206.A O no hydrogen 2.629 N/A GLN 212.A N ASP 209.A O no hydrogen 3.067 N/A HIS 217.A NE2 GLN 212.A OE1 no hydrogen 2.334 N/A GLY 219.A N HIS 217.A ND1 no hydrogen 3.289 N/A ASP 220.A N HIS 217.A O no hydrogen 2.486 N/A THR 221.A N ILE 218.A O no hydrogen 3.009 N/A THR 221.A OG1 ILE 218.A O no hydrogen 2.787 N/A LEU 222.A N THR 196.A OG1 no hydrogen 2.936 N/A THR 224.A N THR 221.A O no hydrogen 2.927 N/A THR 224.A OG1 ILE 218.A O no hydrogen 3.564 N/A THR 224.A OG1 GLY 219.A O no hydrogen 3.056 N/A THR 224.A OG1 THR 221.A O no hydrogen 2.352 N/A LEU 225.A N LEU 222.A O no hydrogen 3.087 N/A PHE 226.A N PHE 223.A O no hydrogen 2.944 N/A ARG 227.A N THR 224.A O no hydrogen 3.447 N/A GLU 230.A N GLU 230.A OE1 no hydrogen 2.934 N/A LEU 231.A N ALA 228.A O no hydrogen 2.781 N/A ALA 233.A N ASP 237.A O no hydrogen 2.689 N/A GLY 236.A N ALA 233.A O no hydrogen 2.618 N/A ASP 237.A N ASN 235.A OD1 no hydrogen 2.988 N/A TYR 239.A N LEU 231.A O no hydrogen 3.247 N/A PHE 242.A N TYR 239.A O no hydrogen 3.205 N/A ALA 243.A N TYR 239.A O no hydrogen 3.020 N/A TRP 244.A N ASN 240.A O no hydrogen 2.773 N/A ALA 245.A N VAL 241.A O no hydrogen 3.407 N/A LEU 246.A N PHE 242.A O no hydrogen 3.148 N/A ASP 247.A N ALA 243.A O no hydrogen 3.086 N/A VAL 248.A N TRP 244.A O no hydrogen 3.073 N/A LEU 249.A N ALA 245.A O no hydrogen 2.970 N/A ALA 250.A N LEU 246.A O no hydrogen 2.922 N/A LYS 251.A N ASP 247.A O no hydrogen 2.966 N/A ARG 252.A N VAL 248.A O no hydrogen 2.824 N/A ARG 252.A NH1 ILE 145.A O no hydrogen 2.818 N/A LEU 253.A N LEU 249.A O no hydrogen 3.113 N/A MET 256.A N LEU 253.A O no hydrogen 3.105 N/A HIS 257.A N THR 152.A O no hydrogen 2.778 N/A PHE 259.A N ILE 154.A O no hydrogen 2.599 N/A LEU 261.A N LEU 156.A O no hydrogen 2.963 N/A TYR 263.A N ALA 158.A O no hydrogen 3.177 N/A GLN 265.A N TYR 263.A O no hydrogen 2.455 N/A GLY 269.A N SER 266.A OG no hydrogen 3.211 N/A CYS 270.A N SER 266.A O no hydrogen 2.701 N/A CYS 270.A SG TYR 263.A O no hydrogen 3.614 N/A CYS 270.A SG GLN 265.A O no hydrogen 3.520 N/A CYS 270.A SG SER 266.A O no hydrogen 3.549 N/A ARG 271.A N PRO 267.A O no hydrogen 2.815 N/A ASP 272.A N ALA 268.A O no hydrogen 2.679 N/A ALA 273.A N GLY 269.A O no hydrogen 2.899 N/A LEU 274.A N CYS 270.A O no hydrogen 2.900 N/A LEU 275.A N ARG 271.A O no hydrogen 3.224 N/A LEU 275.A N ASP 272.A O no hydrogen 2.874 N/A GLN 276.A N ASP 272.A O no hydrogen 3.144 N/A LEU 277.A N ALA 273.A O no hydrogen 3.062 N/A THR 278.A N LEU 275.A O no hydrogen 3.131 N/A THR 278.A OG1 LEU 274.A O no hydrogen 3.006 N/A THR 278.A OG1 LEU 275.A O no hydrogen 2.615 N/A SER 279.A N GLN 276.A O no hydrogen 3.149 N/A SER 279.A OG GLN 276.A O no hydrogen 2.713 N/A GLY 280.A N LEU 277.A O no hydrogen 3.134 N/A MET 281.A N THR 278.A O no hydrogen 3.433 N/A VAL 282.A N ASN 153.A OD1 no hydrogen 3.184 N/A GLN 283.A NE2 PRO 104.A O no hydrogen 3.129 N/A THR 284.A N LEU 4.A O no hydrogen 2.633 N/A HIS 285.A N GLY 96.A O no hydrogen 3.298 N/A VAL 286.A N PRO 2.A O no hydrogen 2.624 N/A THR 287.A N HIS 93.A O no hydrogen 2.752 N/A THR 288.A OG1 SER 291.A OG no hydrogen 2.621 N/A SER 291.A N THR 288.A O no hydrogen 3.125 N/A SER 291.A OG THR 288.A OG1 no hydrogen 2.621 N/A THR 294.A N GLY 290.A O no hydrogen 3.236 N/A THR 294.A OG1 GLY 290.A O no hydrogen 2.426 N/A ILE 295.A N SER 291.A O no hydrogen 2.995 N/A CYS 296.A N ILE 292.A O no hydrogen 2.944 N/A ASP 297.A N PRO 293.A O no hydrogen 3.209 N/A LEU 298.A N THR 294.A O no hydrogen 3.149 N/A ALA 299.A N ILE 295.A O no hydrogen 2.905 N/A ARG 300.A N CYS 296.A O no hydrogen 2.787 N/A THR 301.A N ASP 297.A O no hydrogen 2.663 N/A THR 301.A OG1 ASP 297.A O no hydrogen 2.480 N/A PHE 302.A N LEU 298.A O no hydrogen 2.834 N/A ALA 303.A N ALA 299.A O no hydrogen 2.887 N/A ARG 304.A N ARG 300.A O no hydrogen 2.984 N/A GLU 305.A N THR 301.A O no hydrogen 3.167 N/A GLU 305.A N PHE 302.A O no hydrogen 2.923 N/A MET 306.A N PHE 302.A O no hydrogen 2.687 N/A GLY 307.A N PHE 302.A O no hydrogen 3.502 N/A