Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ki6_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 GLN 279.A OE1 no hydrogen 3.372 N/A LEU 4.A N THR 280.A O no hydrogen 2.418 N/A LEU 5.A N LEU 102.A O no hydrogen 3.184 N/A ARG 6.A NH1 TYR 8.A OH no hydrogen 2.635 N/A VAL 7.A N LEU 104.A O no hydrogen 2.956 N/A TYR 8.A N ASN 147.A O no hydrogen 2.867 N/A ILE 9.A N PHE 106.A O no hydrogen 3.179 N/A ASP 10.A N VAL 149.A O no hydrogen 2.621 N/A GLY 11.A N ASP 10.A OD1 no hydrogen 2.808 N/A HIS 13.A ND1 TYR 117.A OH no hydrogen 2.560 N/A THR 20.A N GLY 16.A O no hydrogen 3.189 N/A THR 20.A OG1 LYS 17.A O no hydrogen 3.079 N/A THR 20.A OG1 TYR 259.A OH no hydrogen 3.425 N/A THR 21.A N LYS 17.A O no hydrogen 3.387 N/A THR 21.A OG1 THR 18.A O no hydrogen 2.933 N/A GLN 22.A N THR 18.A O no hydrogen 3.255 N/A LEU 23.A N THR 19.A O no hydrogen 3.001 N/A LEU 24.A N THR 20.A O no hydrogen 2.996 N/A LEU 24.A N THR 21.A O no hydrogen 3.103 N/A VAL 25.A N THR 21.A O no hydrogen 2.965 N/A ALA 26.A N GLN 22.A O no hydrogen 3.013 N/A LEU 27.A N LEU 24.A O no hydrogen 3.394 N/A VAL 30.A N THR 103.A O no hydrogen 2.874 N/A TYR 31.A OH ASP 107.A OD2 no hydrogen 2.785 N/A VAL 32.A N ILE 105.A O no hydrogen 2.747 N/A THR 37.A N MET 302.A O no hydrogen 3.077 N/A THR 37.A OG1 MET 302.A O no hydrogen 3.375 N/A THR 37.A OG1 GLY 303.A O no hydrogen 3.174 N/A THR 37.A OG1 GLU 304.A OE1 no hydrogen 3.061 N/A TYR 38.A N PRO 35.A O no hydrogen 2.777 N/A TRP 39.A N PRO 35.A O no hydrogen 2.954 N/A TRP 39.A NE1 MET 79.A O no hydrogen 3.220 N/A ARG 40.A N MET 36.A O no hydrogen 2.621 N/A ARG 40.A NH1 GLU 46.A OE1 no hydrogen 3.377 N/A ARG 40.A NH1 GLU 46.A OE2 no hydrogen 3.321 N/A VAL 41.A N THR 37.A O no hydrogen 2.751 N/A LEU 42.A N THR 37.A O no hydrogen 3.079 N/A GLY 43.A N TYR 38.A O no hydrogen 2.950 N/A GLU 46.A N ARG 40.A O no hydrogen 3.031 N/A THR 47.A N TRP 39.A O no hydrogen 2.843 N/A THR 47.A OG1 TRP 39.A O no hydrogen 2.724 N/A ASN 50.A N GLU 46.A O no hydrogen 3.162 N/A ILE 51.A N THR 47.A O no hydrogen 2.990 N/A TYR 52.A N ILE 48.A O no hydrogen 3.240 N/A THR 53.A N ALA 49.A O no hydrogen 3.046 N/A THR 53.A OG1 ALA 49.A O no hydrogen 2.884 N/A THR 54.A N ASN 50.A O no hydrogen 3.103 N/A THR 54.A OG1 ASN 50.A O no hydrogen 2.486 N/A GLN 55.A N ILE 51.A O no hydrogen 3.288 N/A GLN 55.A NE2 ASP 59.A OD1 no hydrogen 3.001 N/A GLN 55.A NE2 MET 124.A O no hydrogen 3.251 N/A HIS 56.A N TYR 52.A O no hydrogen 3.171 N/A ARG 57.A N THR 53.A O no hydrogen 2.625 N/A LEU 58.A N THR 54.A O no hydrogen 2.655 N/A ASP 59.A N GLN 55.A O no hydrogen 2.720 N/A GLN 60.A N HIS 56.A O no hydrogen 2.861 N/A GLN 60.A NE2 HIS 56.A O no hydrogen 3.148 N/A GLY 61.A N ARG 57.A O no hydrogen 2.837 N/A GLY 61.A N LEU 58.A O no hydrogen 2.729 N/A GLU 62.A N ARG 57.A O no hydrogen 3.257 N/A ASP 67.A N SER 64.A O no hydrogen 3.013 N/A ASP 67.A N SER 64.A OG no hydrogen 3.255 N/A ALA 68.A N SER 64.A O no hydrogen 2.945 N/A ALA 69.A N ALA 65.A O no hydrogen 2.792 N/A VAL 70.A N GLY 66.A O no hydrogen 3.300 N/A VAL 71.A N ASP 67.A O no hydrogen 3.022 N/A VAL 71.A N ALA 68.A O no hydrogen 2.814 N/A MET 72.A N ALA 68.A O no hydrogen 2.752 N/A THR 73.A N ALA 69.A O no hydrogen 2.885 N/A THR 73.A OG1 ALA 69.A O no hydrogen 2.596 N/A SER 74.A N VAL 70.A O no hydrogen 3.376 N/A ALA 75.A N VAL 71.A O no hydrogen 2.817 N/A GLN 76.A N MET 72.A O no hydrogen 2.822 N/A GLN 76.A NE2 ALA 113.A O no hydrogen 3.394 N/A ILE 77.A N SER 74.A O no hydrogen 3.184 N/A MET 79.A N ALA 75.A O no hydrogen 3.016 N/A GLY 80.A N GLN 76.A O no hydrogen 3.296 N/A GLY 80.A N ILE 77.A O no hydrogen 3.287 N/A MET 81.A N ILE 77.A O no hydrogen 3.200 N/A TYR 83.A OH ASP 107.A O no hydrogen 3.024 N/A ALA 84.A N GLY 80.A O no hydrogen 3.023 N/A VAL 85.A N MET 81.A O no hydrogen 3.024 N/A THR 86.A N PRO 82.A O no hydrogen 3.241 N/A THR 86.A OG1 PRO 82.A O no hydrogen 2.663 N/A ASP 87.A N TYR 83.A O no hydrogen 3.247 N/A ALA 88.A N ALA 84.A O no hydrogen 3.142 N/A VAL 89.A N VAL 85.A O no hydrogen 2.804 N/A LEU 90.A N THR 86.A O no hydrogen 2.973 N/A ALA 91.A N ASP 87.A O no hydrogen 2.779 N/A HIS 93.A N LEU 90.A O no hydrogen 2.932 N/A GLY 95.A N HIS 281.A O no hydrogen 2.567 N/A ALA 98.A N GLN 279.A O no hydrogen 2.797 N/A ALA 101.A N THR 3.A O no hydrogen 3.211 N/A THR 103.A N ASP 28.A O no hydrogen 2.865 N/A THR 103.A OG1 ASP 28.A O no hydrogen 3.516 N/A LEU 104.A N LEU 5.A O no hydrogen 2.805 N/A ILE 105.A N VAL 30.A O no hydrogen 2.975 N/A PHE 106.A N VAL 7.A O no hydrogen 2.877 N/A ARG 108.A N ILE 9.A O no hydrogen 2.927 N/A ARG 108.A NE ASP 10.A OD1 no hydrogen 3.189 N/A ARG 108.A NH1 GLU 34.A OE2 no hydrogen 3.369 N/A ARG 108.A NH2 GLY 11.A O no hydrogen 2.424 N/A HIS 109.A N ASP 10.A OD2 no hydrogen 2.768 N/A ILE 111.A N HIS 109.A ND1 no hydrogen 3.263 N/A ALA 112.A N HIS 109.A O no hydrogen 3.012 N/A ALA 113.A N PRO 110.A O no hydrogen 3.215 N/A LEU 114.A N PRO 110.A O no hydrogen 3.082 N/A LEU 115.A N ILE 111.A O no hydrogen 2.721 N/A CYS 116.A N ILE 111.A O no hydrogen 3.031 N/A CYS 116.A SG ILE 111.A O no hydrogen 3.751 N/A TYR 117.A N ALA 112.A O no hydrogen 2.940 N/A TYR 117.A OH HIS 13.A ND1 no hydrogen 2.560 N/A ALA 119.A N LEU 115.A O no hydrogen 2.940 N/A ALA 120.A N CYS 116.A O no hydrogen 2.962 N/A ARG 121.A N TYR 117.A O no hydrogen 2.789 N/A ARG 121.A NH1 GLN 55.A OE1 no hydrogen 2.718 N/A TYR 122.A N PRO 118.A O no hydrogen 2.726 N/A LEU 123.A N ALA 119.A O no hydrogen 2.733 N/A GLY 125.A N TYR 122.A O no hydrogen 2.904 N/A SER 126.A N ARG 121.A O no hydrogen 2.781 N/A SER 126.A OG GLN 55.A OE1 no hydrogen 2.585 N/A SER 126.A OG ARG 121.A O no hydrogen 2.907 N/A GLN 130.A N GLN 130.A OE1 no hydrogen 3.202 N/A ALA 131.A N THR 128.A OG1 no hydrogen 3.034 N/A VAL 132.A N THR 128.A O no hydrogen 3.141 N/A LEU 133.A N PRO 129.A O no hydrogen 3.127 N/A ALA 134.A N GLN 130.A O no hydrogen 3.004 N/A PHE 135.A N ALA 131.A O no hydrogen 3.041 N/A VAL 136.A N VAL 132.A O no hydrogen 2.974 N/A ALA 137.A N LEU 133.A O no hydrogen 2.880 N/A LEU 138.A N PHE 135.A O no hydrogen 2.918 N/A ILE 139.A N VAL 136.A O no hydrogen 3.258 N/A THR 142.A OG1 ARG 248.A O no hydrogen 2.697 N/A GLY 145.A N GLU 97.A OE2 no hydrogen 3.040 N/A THR 146.A OG1 LEU 143.A O no hydrogen 2.744 N/A ASN 147.A ND2 ARG 6.A O no hydrogen 2.697 N/A ASN 147.A ND2 VAL 278.A O no hydrogen 2.936 N/A ILE 148.A N HIS 253.A O no hydrogen 2.572 N/A VAL 149.A N TYR 8.A O no hydrogen 2.718 N/A LEU 150.A N PHE 255.A O no hydrogen 2.808 N/A ALA 152.A N LEU 257.A O no hydrogen 2.780 N/A HIS 158.A N PRO 154.A O no hydrogen 2.874 N/A HIS 158.A NE2 HIS 13.A O no hydrogen 2.597 N/A ILE 159.A N GLU 155.A O no hydrogen 2.787 N/A ASP 160.A N ASP 156.A O no hydrogen 3.188 N/A ARG 161.A N ARG 157.A O no hydrogen 3.019 N/A LEU 162.A N HIS 158.A O no hydrogen 2.517 N/A ALA 163.A N ILE 159.A O no hydrogen 3.478 N/A LYS 164.A N ARG 161.A O no hydrogen 2.671 N/A ARG 165.A N LEU 162.A O no hydrogen 2.481 N/A ARG 167.A N GLU 170.A OE1 no hydrogen 3.090 N/A ARG 167.A NH2 ARG 165.A O no hydrogen 3.458 N/A GLU 170.A N ARG 167.A O no hydrogen 2.991 N/A ARG 171.A NH2 THR 53.A OG1 no hydrogen 3.107 N/A MET 176.A N ASP 173.A OD1 no hydrogen 3.081 N/A LEU 177.A N ASP 173.A O no hydrogen 3.056 N/A ALA 178.A N LEU 174.A O no hydrogen 2.978 N/A ALA 179.A N ALA 175.A O no hydrogen 3.071 N/A ILE 180.A N MET 176.A O no hydrogen 3.119 N/A ARG 181.A N LEU 177.A O no hydrogen 2.995 N/A ARG 181.A NE HIS 158.A ND1 no hydrogen 3.269 N/A ARG 181.A NH2 LEU 153.A O no hydrogen 2.433 N/A ARG 182.A N ALA 178.A O no hydrogen 2.817 N/A VAL 183.A N ALA 179.A O no hydrogen 2.782 N/A TYR 184.A N ILE 180.A O no hydrogen 2.988 N/A TYR 184.A OH ASP 10.A OD1 no hydrogen 2.568 N/A GLY 185.A N ARG 181.A O no hydrogen 3.053 N/A LEU 186.A N ARG 182.A O no hydrogen 3.037 N/A LEU 187.A N VAL 183.A O no hydrogen 2.845 N/A ALA 188.A N TYR 184.A O no hydrogen 3.054 N/A ASN 189.A N GLY 185.A O no hydrogen 3.125 N/A ASN 189.A ND2 ASP 216.A O no hydrogen 2.662 N/A THR 190.A N LEU 186.A O no hydrogen 2.757 N/A THR 190.A OG1 LEU 186.A O no hydrogen 2.836 N/A VAL 191.A N LEU 187.A O no hydrogen 3.265 N/A ARG 192.A N ALA 188.A O no hydrogen 3.262 N/A ARG 192.A NH1 ALA 208.A O no hydrogen 3.255 N/A ARG 192.A NH2 ASN 189.A OD1 no hydrogen 2.863 N/A TYR 193.A N ASN 189.A O no hydrogen 2.802 N/A TYR 193.A OH ASP 203.A OD2 no hydrogen 2.608 N/A LEU 194.A N THR 190.A O no hydrogen 2.821 N/A GLN 195.A N VAL 191.A O no hydrogen 2.901 N/A CYS 196.A N ARG 192.A O no hydrogen 2.931 N/A CYS 196.A N TYR 193.A O no hydrogen 3.077 N/A CYS 196.A SG ARG 192.A O no hydrogen 3.308 N/A GLY 197.A N LEU 194.A O no hydrogen 3.298 N/A GLY 198.A N TYR 193.A O no hydrogen 2.952 N/A ARG 201.A NE ASP 243.A OD1 no hydrogen 3.087 N/A ARG 201.A NH2 ASP 243.A OD1 no hydrogen 3.113 N/A ARG 201.A NH2 ASP 243.A OD2 no hydrogen 2.850 N/A GLU 202.A N SER 199.A O no hydrogen 3.070 N/A ASP 203.A N SER 199.A O no hydrogen 2.980 N/A GLN 206.A N ASP 203.A O no hydrogen 2.958 N/A LEU 207.A N TRP 204.A O no hydrogen 3.111 N/A ARG 211.A NH2 CYS 196.A O no hydrogen 3.406 N/A GLY 215.A N HIS 213.A ND1 no hydrogen 2.632 N/A ASP 216.A N HIS 213.A O no hydrogen 2.501 N/A THR 217.A N ILE 214.A O no hydrogen 3.319 N/A THR 217.A OG1 ILE 214.A O no hydrogen 2.618 N/A LEU 218.A N THR 190.A OG1 no hydrogen 2.858 N/A THR 220.A N THR 217.A O no hydrogen 3.047 N/A LEU 221.A N LEU 218.A O no hydrogen 2.758 N/A PHE 222.A N PHE 219.A O no hydrogen 3.277 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.684 N/A LEU 227.A N ALA 224.A O no hydrogen 2.840 N/A ALA 229.A N ASP 233.A O no hydrogen 2.637 N/A GLY 232.A N ALA 229.A O no hydrogen 2.718 N/A ASP 233.A N ASN 231.A OD1 no hydrogen 2.745 N/A TYR 235.A N LEU 227.A O no hydrogen 3.065 N/A ALA 239.A N TYR 235.A O no hydrogen 2.931 N/A TRP 240.A N ASN 236.A O no hydrogen 2.685 N/A ALA 241.A N VAL 237.A O no hydrogen 3.183 N/A LEU 242.A N PHE 238.A O no hydrogen 3.092 N/A LEU 242.A N ALA 239.A O no hydrogen 3.141 N/A ASP 243.A N ALA 239.A O no hydrogen 3.137 N/A ASP 243.A N TRP 240.A O no hydrogen 2.983 N/A VAL 244.A N TRP 240.A O no hydrogen 3.156 N/A LEU 245.A N ALA 241.A O no hydrogen 3.032 N/A ALA 246.A N LEU 242.A O no hydrogen 2.893 N/A LYS 247.A N ASP 243.A O no hydrogen 2.914 N/A ARG 248.A N VAL 244.A O no hydrogen 2.797 N/A ARG 248.A NH1 ILE 139.A O no hydrogen 3.200 N/A LEU 249.A N LEU 245.A O no hydrogen 3.075 N/A ARG 250.A N ALA 246.A O no hydrogen 3.212 N/A MET 252.A N LEU 249.A O no hydrogen 3.262 N/A HIS 253.A N THR 146.A O no hydrogen 2.743 N/A PHE 255.A N ILE 148.A O no hydrogen 2.771 N/A LEU 257.A N LEU 150.A O no hydrogen 2.822 N/A TYR 259.A N ALA 152.A O no hydrogen 2.686 N/A TYR 259.A OH THR 20.A OG1 no hydrogen 3.425 N/A ASP 260.A N ASP 258.A OD1 no hydrogen 3.011 N/A GLN 261.A NE2 ASP 258.A O no hydrogen 2.529 N/A CYS 266.A N SER 262.A O no hydrogen 2.745 N/A CYS 266.A SG ASP 258.A O no hydrogen 4.005 N/A CYS 266.A SG SER 262.A O no hydrogen 3.534 N/A ARG 267.A N PRO 263.A O no hydrogen 3.031 N/A ASP 268.A N ALA 264.A O no hydrogen 2.910 N/A ALA 269.A N GLY 265.A O no hydrogen 2.783 N/A LEU 270.A N CYS 266.A O no hydrogen 2.822 N/A LEU 271.A N ARG 267.A O no hydrogen 3.105 N/A GLN 272.A N ASP 268.A O no hydrogen 3.263 N/A GLN 272.A N ALA 269.A O no hydrogen 3.251 N/A LEU 273.A N ALA 269.A O no hydrogen 3.294 N/A THR 274.A N LEU 270.A O no hydrogen 3.295 N/A THR 274.A OG1 LEU 270.A O no hydrogen 3.177 N/A SER 275.A N GLN 272.A O no hydrogen 3.127 N/A SER 275.A OG GLN 272.A O no hydrogen 3.570 N/A GLY 276.A N LEU 273.A O no hydrogen 3.093 N/A MET 277.A N THR 274.A O no hydrogen 3.283 N/A VAL 278.A N ASN 147.A OD1 no hydrogen 2.853 N/A THR 280.A N LEU 4.A O no hydrogen 2.809 N/A THR 280.A OG1 HIS 281.A O no hydrogen 3.397 N/A HIS 281.A N GLY 96.A O no hydrogen 2.978 N/A VAL 282.A N PRO 2.A O no hydrogen 3.114 N/A THR 283.A N HIS 93.A O no hydrogen 2.826 N/A THR 283.A OG1 PRO 92.A O no hydrogen 3.081 N/A THR 284.A N SER 287.A OG no hydrogen 2.904 N/A THR 284.A OG1 SER 287.A OG no hydrogen 2.870 N/A SER 287.A N THR 284.A O no hydrogen 2.735 N/A SER 287.A OG THR 284.A O no hydrogen 2.660 N/A SER 287.A OG THR 284.A OG1 no hydrogen 2.870 N/A ILE 288.A N PRO 285.A O no hydrogen 3.267 N/A THR 290.A OG1 GLY 286.A O no hydrogen 2.716 N/A ILE 291.A N SER 287.A O no hydrogen 2.770 N/A CYS 292.A N ILE 288.A O no hydrogen 2.965 N/A ASP 293.A N PRO 289.A O no hydrogen 2.974 N/A LEU 294.A N THR 290.A O no hydrogen 2.986 N/A ALA 295.A N ILE 291.A O no hydrogen 2.916 N/A ARG 296.A N CYS 292.A O no hydrogen 2.755 N/A THR 297.A N ASP 293.A O no hydrogen 2.571 N/A THR 297.A N LEU 294.A O no hydrogen 3.134 N/A THR 297.A OG1 ASP 293.A O no hydrogen 2.785 N/A PHE 298.A N LEU 294.A O no hydrogen 2.772 N/A ALA 299.A N ALA 295.A O no hydrogen 2.966 N/A ARG 300.A N ARG 296.A O no hydrogen 3.305 N/A GLU 301.A N THR 297.A O no hydrogen 3.052 N/A GLU 301.A N PHE 298.A O no hydrogen 3.229 N/A MET 302.A N PHE 298.A O no hydrogen 2.770 N/A GLY 303.A N ALA 299.A O no hydrogen 2.801 N/A