Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ki3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 ALA 102.A O no hydrogen 3.355 N/A THR 3.A OG1 GLN 284.A OE1 no hydrogen 3.167 N/A LEU 4.A N THR 285.A O no hydrogen 2.662 N/A LEU 5.A N LEU 107.A O no hydrogen 2.943 N/A ARG 6.A NH2 THR 151.A OG1 no hydrogen 3.207 N/A VAL 7.A N LEU 109.A O no hydrogen 2.825 N/A TYR 8.A N ASN 152.A O no hydrogen 3.026 N/A ILE 9.A N PHE 111.A O no hydrogen 2.997 N/A ASP 10.A N VAL 154.A O no hydrogen 2.679 N/A GLY 11.A N ASP 10.A OD1 no hydrogen 2.987 N/A HIS 13.A N TYR 122.A OH no hydrogen 3.353 N/A HIS 13.A NE2 TYR 52.A OH no hydrogen 3.079 N/A THR 20.A N GLY 16.A O no hydrogen 2.675 N/A THR 20.A OG1 GLY 16.A O no hydrogen 3.421 N/A THR 20.A OG1 LYS 17.A O no hydrogen 3.022 N/A THR 21.A N LYS 17.A O no hydrogen 2.609 N/A GLN 22.A N THR 18.A O no hydrogen 3.318 N/A LEU 24.A N THR 21.A O no hydrogen 3.288 N/A ALA 26.A N GLN 22.A O no hydrogen 2.858 N/A ALA 26.A N LEU 23.A O no hydrogen 3.238 N/A LEU 27.A N LEU 23.A O no hydrogen 3.407 N/A ASP 28.A N ASP 28.A OD1 no hydrogen 2.757 N/A VAL 30.A N THR 108.A O no hydrogen 2.918 N/A TYR 31.A OH ASP 112.A OD2 no hydrogen 2.719 N/A VAL 32.A N ILE 110.A O no hydrogen 2.617 N/A MET 36.A N GLU 34.A O no hydrogen 2.516 N/A THR 37.A N MET 307.A O no hydrogen 2.742 N/A THR 37.A OG1 GLU 309.A OE1 no hydrogen 3.458 N/A TYR 38.A N PRO 35.A O no hydrogen 2.782 N/A TRP 39.A N PRO 35.A O no hydrogen 3.094 N/A TRP 39.A NE1 MET 79.A O no hydrogen 3.110 N/A ARG 40.A N MET 36.A O no hydrogen 2.953 N/A ARG 40.A NE GLU 309.A OE2 no hydrogen 3.088 N/A ARG 40.A NH1 GLU 46.A OE1 no hydrogen 3.245 N/A ARG 40.A NH1 GLU 46.A OE2 no hydrogen 2.573 N/A ARG 40.A NH2 GLU 309.A OE2 no hydrogen 3.547 N/A VAL 41.A N THR 37.A O no hydrogen 2.860 N/A LEU 42.A N THR 37.A O no hydrogen 2.895 N/A GLY 43.A N TYR 38.A O no hydrogen 2.908 N/A GLU 46.A N ARG 40.A O no hydrogen 2.754 N/A THR 47.A N TRP 39.A O no hydrogen 2.662 N/A THR 47.A OG1 TRP 39.A O no hydrogen 2.550 N/A ASN 50.A N THR 47.A O no hydrogen 2.689 N/A ILE 51.A N THR 47.A O no hydrogen 2.891 N/A TYR 52.A N ILE 48.A O no hydrogen 2.896 N/A THR 53.A N ALA 49.A O no hydrogen 2.936 N/A THR 53.A OG1 ALA 49.A O no hydrogen 2.453 N/A THR 54.A N ASN 50.A O no hydrogen 3.084 N/A THR 54.A OG1 ASN 50.A O no hydrogen 2.861 N/A GLN 55.A N ILE 51.A O no hydrogen 3.222 N/A GLN 55.A NE2 ASP 59.A OD1 no hydrogen 2.832 N/A GLN 55.A NE2 ASP 59.A OD2 no hydrogen 3.491 N/A GLN 55.A NE2 MET 129.A O no hydrogen 3.550 N/A HIS 56.A N TYR 52.A O no hydrogen 2.862 N/A ARG 57.A N THR 53.A O no hydrogen 2.613 N/A LEU 58.A N THR 54.A O no hydrogen 2.872 N/A ASP 59.A N GLN 55.A O no hydrogen 2.885 N/A GLN 60.A N HIS 56.A O no hydrogen 2.655 N/A GLU 62.A N ARG 57.A O no hydrogen 2.803 N/A ALA 68.A N SER 64.A O no hydrogen 2.755 N/A ALA 69.A N ALA 65.A O no hydrogen 2.865 N/A VAL 70.A N GLY 66.A O no hydrogen 2.873 N/A VAL 71.A N ASP 67.A O no hydrogen 3.327 N/A MET 72.A N ALA 68.A O no hydrogen 2.526 N/A THR 73.A N ALA 69.A O no hydrogen 2.694 N/A THR 73.A OG1 ALA 69.A O no hydrogen 2.428 N/A SER 74.A N VAL 70.A O no hydrogen 3.410 N/A SER 74.A OG VAL 70.A O no hydrogen 3.135 N/A SER 74.A OG VAL 71.A O no hydrogen 2.607 N/A ALA 75.A N VAL 71.A O no hydrogen 3.182 N/A GLN 76.A NE2 MET 72.A O no hydrogen 3.367 N/A ILE 77.A N THR 73.A O no hydrogen 3.436 N/A THR 78.A N SER 74.A O no hydrogen 3.369 N/A THR 78.A OG1 SER 74.A O no hydrogen 3.328 N/A MET 79.A N ALA 75.A O no hydrogen 2.892 N/A GLY 80.A N GLN 76.A O no hydrogen 3.068 N/A TYR 83.A N GLY 80.A O no hydrogen 3.000 N/A ALA 84.A N GLY 80.A O no hydrogen 3.250 N/A VAL 85.A N MET 81.A O no hydrogen 3.040 N/A THR 86.A N PRO 82.A O no hydrogen 3.080 N/A THR 86.A OG1 PRO 82.A O no hydrogen 2.573 N/A ASP 87.A N TYR 83.A O no hydrogen 2.755 N/A ALA 88.A N ALA 84.A O no hydrogen 2.653 N/A VAL 89.A N VAL 85.A O no hydrogen 2.798 N/A VAL 89.A N THR 86.A O no hydrogen 2.838 N/A LEU 90.A N THR 86.A O no hydrogen 2.844 N/A ALA 91.A N ASP 87.A O no hydrogen 2.951 N/A HIS 93.A N LEU 90.A O no hydrogen 2.833 N/A ILE 94.A N ALA 91.A O no hydrogen 3.061 N/A GLY 95.A N HIS 286.A O no hydrogen 2.585 N/A ALA 98.A N GLN 284.A O no hydrogen 2.986 N/A SER 101.A N MET 282.A O no hydrogen 2.833 N/A ALA 102.A N ALA 98.A O no hydrogen 2.349 N/A ALA 106.A N THR 3.A O no hydrogen 2.962 N/A THR 108.A N ASP 28.A O no hydrogen 2.391 N/A LEU 109.A N LEU 5.A O no hydrogen 2.592 N/A ILE 110.A N VAL 30.A O no hydrogen 3.033 N/A PHE 111.A N VAL 7.A O no hydrogen 2.775 N/A ASP 112.A N VAL 32.A O no hydrogen 2.946 N/A HIS 114.A N ASP 10.A OD2 no hydrogen 2.740 N/A ILE 116.A N HIS 114.A ND1 no hydrogen 3.017 N/A ALA 117.A N HIS 114.A O no hydrogen 2.584 N/A ALA 118.A N PRO 115.A O no hydrogen 3.156 N/A LEU 119.A N PRO 115.A O no hydrogen 2.658 N/A LEU 120.A N ILE 116.A O no hydrogen 2.775 N/A CYS 121.A N ILE 116.A O no hydrogen 2.919 N/A CYS 121.A SG ILE 116.A O no hydrogen 3.955 N/A TYR 122.A N ALA 117.A O no hydrogen 2.861 N/A TYR 122.A OH HIS 13.A ND1 no hydrogen 3.036 N/A ALA 124.A N LEU 120.A O no hydrogen 2.860 N/A ALA 125.A N CYS 121.A O no hydrogen 2.912 N/A ARG 126.A N TYR 122.A O no hydrogen 2.748 N/A ARG 126.A NH1 GLN 55.A OE1 no hydrogen 3.061 N/A TYR 127.A N PRO 123.A O no hydrogen 3.036 N/A LEU 128.A N ALA 124.A O no hydrogen 3.159 N/A MET 129.A N ARG 126.A O no hydrogen 2.651 N/A GLY 130.A N TYR 127.A O no hydrogen 2.789 N/A SER 131.A N ARG 126.A O no hydrogen 3.409 N/A SER 131.A OG GLN 55.A OE1 no hydrogen 2.904 N/A SER 131.A OG ARG 126.A O no hydrogen 3.403 N/A GLN 135.A N GLN 135.A OE1 no hydrogen 2.386 N/A VAL 137.A N THR 133.A O no hydrogen 3.014 N/A LEU 138.A N PRO 134.A O no hydrogen 3.043 N/A ALA 139.A N GLN 135.A O no hydrogen 3.155 N/A ALA 139.A N ALA 136.A O no hydrogen 2.914 N/A PHE 140.A N ALA 136.A O no hydrogen 3.481 N/A VAL 141.A N VAL 137.A O no hydrogen 3.168 N/A ALA 142.A N LEU 138.A O no hydrogen 2.995 N/A LEU 143.A N ALA 139.A O no hydrogen 3.214 N/A THR 147.A OG1 ARG 253.A O no hydrogen 2.849 N/A GLY 150.A N GLU 97.A OE2 no hydrogen 3.380 N/A THR 151.A OG1 LEU 148.A O no hydrogen 2.624 N/A ASN 152.A ND2 ARG 6.A O no hydrogen 2.692 N/A ASN 152.A ND2 VAL 283.A O no hydrogen 3.090 N/A ILE 153.A N HIS 258.A O no hydrogen 2.478 N/A VAL 154.A N TYR 8.A O no hydrogen 3.093 N/A LEU 155.A N PHE 260.A O no hydrogen 2.866 N/A ALA 157.A N LEU 262.A O no hydrogen 2.804 N/A HIS 163.A N PRO 159.A O no hydrogen 2.992 N/A HIS 163.A NE2 HIS 13.A O no hydrogen 2.562 N/A ILE 164.A N GLU 160.A O no hydrogen 2.739 N/A ASP 165.A N ASP 161.A O no hydrogen 2.974 N/A ARG 166.A N ARG 162.A O no hydrogen 2.762 N/A ARG 166.A NH1 MET 15.A O no hydrogen 3.105 N/A LEU 167.A N HIS 163.A O no hydrogen 2.459 N/A ALA 168.A N ILE 164.A O no hydrogen 3.043 N/A LYS 169.A N ARG 166.A O no hydrogen 2.707 N/A LYS 169.A NZ ARG 170.A O no hydrogen 2.409 N/A ARG 172.A NH2 GLU 34.A OE1 no hydrogen 2.917 N/A GLU 175.A N ARG 172.A O no hydrogen 3.325 N/A ARG 176.A NH2 THR 53.A OG1 no hydrogen 3.341 N/A MET 181.A N ASP 178.A OD1 no hydrogen 2.818 N/A LEU 182.A N LEU 179.A O no hydrogen 3.067 N/A ALA 183.A N LEU 179.A O no hydrogen 2.951 N/A ALA 184.A N ALA 180.A O no hydrogen 2.569 N/A ILE 185.A N MET 181.A O no hydrogen 3.221 N/A ARG 186.A N LEU 182.A O no hydrogen 2.940 N/A ARG 186.A NH1 GLU 160.A OE1 no hydrogen 2.655 N/A ARG 186.A NH2 LEU 158.A O no hydrogen 2.410 N/A ARG 187.A N ALA 183.A O no hydrogen 3.295 N/A VAL 188.A N ALA 184.A O no hydrogen 3.072 N/A TYR 189.A N ILE 185.A O no hydrogen 3.348 N/A TYR 189.A OH ASP 10.A OD1 no hydrogen 2.854 N/A GLY 190.A N ARG 186.A O no hydrogen 2.995 N/A LEU 191.A N ARG 187.A O no hydrogen 2.860 N/A LEU 192.A N VAL 188.A O no hydrogen 2.820 N/A ALA 193.A N TYR 189.A O no hydrogen 2.762 N/A ALA 193.A N GLY 190.A O no hydrogen 3.195 N/A ASN 194.A N GLY 190.A O no hydrogen 3.382 N/A ASN 194.A ND2 ASP 221.A O no hydrogen 2.852 N/A THR 195.A N LEU 191.A O no hydrogen 2.755 N/A THR 195.A OG1 LEU 191.A O no hydrogen 2.872 N/A VAL 196.A N LEU 192.A O no hydrogen 3.073 N/A TYR 198.A N ASN 194.A O no hydrogen 2.682 N/A TYR 198.A OH ASP 208.A OD2 no hydrogen 2.558 N/A LEU 199.A N THR 195.A O no hydrogen 2.835 N/A GLN 200.A N VAL 196.A O no hydrogen 3.126 N/A GLN 200.A N ARG 197.A O no hydrogen 3.189 N/A GLN 200.A NE2 ARG 255.A O no hydrogen 3.365 N/A GLN 200.A NE2 MET 257.A O no hydrogen 3.270 N/A CYS 201.A N ARG 197.A O no hydrogen 2.935 N/A CYS 201.A N TYR 198.A O no hydrogen 3.138 N/A CYS 201.A SG ARG 197.A O no hydrogen 3.534 N/A CYS 201.A SG PRO 215.A O no hydrogen 2.369 N/A GLY 203.A N TYR 198.A O no hydrogen 3.203 N/A TRP 205.A NE1 ASP 248.A OD1 no hydrogen 3.261 N/A ARG 206.A NE ASP 248.A OD1 no hydrogen 3.192 N/A ARG 206.A NH2 ASP 248.A OD1 no hydrogen 3.045 N/A ARG 206.A NH2 ASP 248.A OD2 no hydrogen 2.854 N/A ASP 208.A N SER 204.A O no hydrogen 2.889 N/A TRP 209.A N TRP 205.A O no hydrogen 2.725 N/A GLN 211.A N ASP 208.A O no hydrogen 2.827 N/A GLY 214.A N GLY 210.A O no hydrogen 3.480 N/A GLY 214.A N GLN 211.A O no hydrogen 3.031 N/A ARG 216.A NE CYS 201.A O no hydrogen 3.262 N/A ARG 216.A NH2 CYS 201.A O no hydrogen 3.011 N/A GLY 220.A N HIS 218.A ND1 no hydrogen 3.275 N/A ASP 221.A N HIS 218.A O no hydrogen 2.657 N/A THR 222.A OG1 ILE 219.A O no hydrogen 2.615 N/A LEU 223.A N THR 195.A OG1 no hydrogen 2.886 N/A PHE 227.A N PHE 224.A O no hydrogen 2.651 N/A GLU 231.A N GLU 231.A OE1 no hydrogen 3.273 N/A LEU 232.A N ALA 229.A O no hydrogen 2.461 N/A LEU 233.A N PRO 230.A O no hydrogen 2.944 N/A ALA 234.A N ASP 238.A O no hydrogen 2.464 N/A GLY 237.A N ALA 234.A O no hydrogen 2.467 N/A ASP 238.A N ASN 236.A OD1 no hydrogen 2.939 N/A TYR 240.A N LEU 232.A O no hydrogen 3.277 N/A ALA 244.A N TYR 240.A O no hydrogen 2.959 N/A TRP 245.A N ASN 241.A O no hydrogen 2.999 N/A TRP 245.A N VAL 242.A O no hydrogen 3.019 N/A ALA 246.A N VAL 242.A O no hydrogen 2.918 N/A LEU 247.A N PHE 243.A O no hydrogen 2.804 N/A ASP 248.A N ALA 244.A O no hydrogen 3.175 N/A VAL 249.A N TRP 245.A O no hydrogen 2.867 N/A LEU 250.A N ALA 246.A O no hydrogen 2.920 N/A ALA 251.A N LEU 247.A O no hydrogen 2.966 N/A LYS 252.A N ASP 248.A O no hydrogen 3.060 N/A ARG 253.A N VAL 249.A O no hydrogen 2.918 N/A LEU 254.A N LEU 250.A O no hydrogen 3.179 N/A ARG 255.A N ALA 251.A O no hydrogen 3.118 N/A MET 257.A N LEU 254.A O no hydrogen 2.704 N/A HIS 258.A N THR 151.A O no hydrogen 3.001 N/A HIS 258.A ND1 THR 151.A O no hydrogen 2.619 N/A PHE 260.A N ILE 153.A O no hydrogen 2.610 N/A LEU 262.A N LEU 155.A O no hydrogen 2.845 N/A TYR 264.A N ALA 157.A O no hydrogen 2.516 N/A ASP 265.A N ASP 263.A OD1 no hydrogen 3.404 N/A GLN 266.A NE2 ASP 263.A O no hydrogen 2.581 N/A GLY 270.A N PRO 268.A O no hydrogen 2.407 N/A CYS 271.A SG ASP 263.A O no hydrogen 3.750 N/A CYS 271.A SG GLN 266.A O no hydrogen 2.858 N/A ASP 273.A N ALA 269.A O no hydrogen 2.344 N/A ALA 274.A N GLY 270.A O no hydrogen 3.514 N/A LEU 275.A N CYS 271.A O no hydrogen 2.892 N/A LEU 276.A N ARG 272.A O no hydrogen 3.365 N/A LEU 276.A N ASP 273.A O no hydrogen 2.723 N/A GLN 277.A N ASP 273.A O no hydrogen 3.030 N/A LEU 278.A N ALA 274.A O no hydrogen 3.066 N/A THR 279.A OG1 LEU 275.A O no hydrogen 3.057 N/A SER 280.A N GLN 277.A O no hydrogen 3.408 N/A SER 280.A OG GLN 277.A O no hydrogen 2.842 N/A GLY 281.A N LEU 278.A O no hydrogen 2.973 N/A VAL 283.A N ASN 152.A OD1 no hydrogen 2.690 N/A THR 285.A N LEU 4.A O no hydrogen 2.933 N/A HIS 286.A N GLY 96.A O no hydrogen 3.091 N/A VAL 287.A N PRO 2.A O no hydrogen 2.898 N/A THR 288.A N HIS 93.A O no hydrogen 2.869 N/A THR 288.A OG1 PRO 92.A O no hydrogen 2.662 N/A THR 289.A N SER 292.A OG no hydrogen 2.991 N/A THR 289.A OG1 SER 292.A OG no hydrogen 2.675 N/A SER 292.A N THR 289.A O no hydrogen 3.022 N/A SER 292.A OG THR 289.A OG1 no hydrogen 2.675 N/A THR 295.A N GLY 291.A O no hydrogen 3.380 N/A THR 295.A OG1 GLY 291.A O no hydrogen 2.669 N/A ILE 296.A N SER 292.A O no hydrogen 2.815 N/A CYS 297.A N ILE 293.A O no hydrogen 2.583 N/A ASP 298.A N PRO 294.A O no hydrogen 3.160 N/A LEU 299.A N THR 295.A O no hydrogen 3.075 N/A ALA 300.A N ILE 296.A O no hydrogen 3.414 N/A ARG 301.A N CYS 297.A O no hydrogen 2.965 N/A ARG 301.A N ASP 298.A O no hydrogen 3.116 N/A THR 302.A N ASP 298.A O no hydrogen 2.758 N/A THR 302.A OG1 ASP 298.A O no hydrogen 2.658 N/A PHE 303.A N LEU 299.A O no hydrogen 2.930 N/A ARG 305.A N ARG 301.A O no hydrogen 3.022 N/A GLU 306.A N THR 302.A O no hydrogen 3.259 N/A GLU 306.A N PHE 303.A O no hydrogen 3.229 N/A MET 307.A N PHE 303.A O no hydrogen 2.681 N/A GLY 308.A N ALA 304.A O no hydrogen 2.931 N/A