Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ki6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 GLN 275.A OE1 no hydrogen 3.543 N/A LEU 4.A N THR 276.A O no hydrogen 2.652 N/A LEU 5.A N LEU 99.A O no hydrogen 2.796 N/A ARG 6.A NH1 TYR 8.A OH no hydrogen 2.657 N/A VAL 7.A N LEU 101.A O no hydrogen 2.679 N/A TYR 8.A N ASN 144.A O no hydrogen 2.987 N/A ILE 9.A N PHE 103.A O no hydrogen 3.061 N/A ASP 10.A N VAL 146.A O no hydrogen 2.751 N/A GLY 11.A N ASP 10.A OD1 no hydrogen 2.904 N/A THR 20.A N GLY 16.A O no hydrogen 3.147 N/A THR 20.A OG1 LYS 17.A O no hydrogen 3.109 N/A THR 20.A OG1 TYR 255.A OH no hydrogen 3.316 N/A THR 21.A N LYS 17.A O no hydrogen 3.263 N/A THR 21.A N THR 18.A O no hydrogen 3.290 N/A THR 21.A OG1 THR 18.A O no hydrogen 2.847 N/A THR 21.A OG1 TYR 28.A OH no hydrogen 3.053 N/A GLN 22.A N THR 18.A O no hydrogen 3.194 N/A LEU 23.A N THR 19.A O no hydrogen 3.038 N/A LEU 24.A N THR 21.A O no hydrogen 2.970 N/A VAL 27.A N THR 100.A O no hydrogen 2.993 N/A TYR 28.A OH ASP 104.A OD2 no hydrogen 2.965 N/A VAL 29.A N ILE 102.A O no hydrogen 2.809 N/A MET 33.A N GLU 31.A O no hydrogen 2.770 N/A THR 34.A N MET 298.A O no hydrogen 2.868 N/A THR 34.A OG1 MET 298.A O no hydrogen 3.215 N/A THR 34.A OG1 GLY 299.A O no hydrogen 3.081 N/A THR 34.A OG1 GLU 300.A OE2 no hydrogen 2.636 N/A TYR 35.A N PRO 32.A O no hydrogen 2.745 N/A TRP 36.A N PRO 32.A O no hydrogen 3.073 N/A ARG 37.A N MET 33.A O no hydrogen 2.907 N/A ARG 37.A NH1 GLU 43.A OE1 no hydrogen 3.392 N/A ARG 37.A NH1 GLU 43.A OE2 no hydrogen 3.299 N/A VAL 38.A N THR 34.A O no hydrogen 2.781 N/A LEU 39.A N THR 34.A O no hydrogen 3.085 N/A GLY 40.A N TYR 35.A O no hydrogen 2.970 N/A GLU 43.A N ARG 37.A O no hydrogen 2.984 N/A THR 44.A N TRP 36.A O no hydrogen 2.801 N/A THR 44.A OG1 TRP 36.A O no hydrogen 2.738 N/A ASN 47.A N GLU 43.A O no hydrogen 3.204 N/A ILE 48.A N THR 44.A O no hydrogen 3.028 N/A TYR 49.A N ILE 45.A O no hydrogen 3.224 N/A TYR 49.A OH HIS 13.A NE2 no hydrogen 3.389 N/A THR 50.A N ALA 46.A O no hydrogen 3.005 N/A THR 50.A OG1 ALA 46.A O no hydrogen 2.820 N/A THR 51.A N ASN 47.A O no hydrogen 3.161 N/A THR 51.A OG1 ASN 47.A O no hydrogen 2.526 N/A GLN 52.A N ILE 48.A O no hydrogen 3.232 N/A GLN 52.A NE2 ASP 56.A OD1 no hydrogen 3.047 N/A GLN 52.A NE2 MET 121.A O no hydrogen 3.244 N/A HIS 53.A N TYR 49.A O no hydrogen 3.139 N/A ARG 54.A N THR 50.A O no hydrogen 2.663 N/A LEU 55.A N THR 51.A O no hydrogen 2.686 N/A ASP 56.A N GLN 52.A O no hydrogen 2.753 N/A GLN 57.A N HIS 53.A O no hydrogen 2.868 N/A GLN 57.A NE2 HIS 53.A O no hydrogen 3.133 N/A GLY 58.A N ARG 54.A O no hydrogen 2.794 N/A GLY 58.A N LEU 55.A O no hydrogen 2.720 N/A GLU 59.A N ARG 54.A O no hydrogen 3.214 N/A ASP 64.A N SER 61.A O no hydrogen 2.947 N/A ASP 64.A N SER 61.A OG no hydrogen 3.232 N/A ALA 65.A N SER 61.A O no hydrogen 2.997 N/A ALA 66.A N ALA 62.A O no hydrogen 2.811 N/A VAL 67.A N GLY 63.A O no hydrogen 3.287 N/A VAL 68.A N ASP 64.A O no hydrogen 3.004 N/A VAL 68.A N ALA 65.A O no hydrogen 2.778 N/A MET 69.A N ALA 65.A O no hydrogen 2.666 N/A THR 70.A N ALA 66.A O no hydrogen 2.832 N/A THR 70.A OG1 ALA 66.A O no hydrogen 2.646 N/A SER 71.A N VAL 67.A O no hydrogen 3.411 N/A ALA 72.A N VAL 68.A O no hydrogen 2.872 N/A GLN 73.A N MET 69.A O no hydrogen 2.901 N/A GLN 73.A NE2 ALA 110.A O no hydrogen 3.499 N/A ILE 74.A N SER 71.A O no hydrogen 3.169 N/A THR 75.A OG1 SER 71.A O no hydrogen 3.551 N/A MET 76.A N ALA 72.A O no hydrogen 3.001 N/A GLY 77.A N GLN 73.A O no hydrogen 3.268 N/A GLY 77.A N ILE 74.A O no hydrogen 3.258 N/A ALA 81.A N GLY 77.A O no hydrogen 2.954 N/A VAL 82.A N MET 78.A O no hydrogen 3.038 N/A THR 83.A N PRO 79.A O no hydrogen 3.268 N/A THR 83.A OG1 PRO 79.A O no hydrogen 2.655 N/A ASP 84.A N TYR 80.A O no hydrogen 3.262 N/A ALA 85.A N ALA 81.A O no hydrogen 3.053 N/A VAL 86.A N VAL 82.A O no hydrogen 2.745 N/A LEU 87.A N THR 83.A O no hydrogen 3.028 N/A ALA 88.A N ASP 84.A O no hydrogen 2.794 N/A HIS 90.A N LEU 87.A O no hydrogen 2.888 N/A GLY 92.A N HIS 277.A O no hydrogen 2.559 N/A ALA 95.A N GLN 275.A O no hydrogen 2.787 N/A ALA 98.A N THR 3.A O no hydrogen 3.060 N/A THR 100.A N ASP 25.A O no hydrogen 2.935 N/A LEU 101.A N LEU 5.A O no hydrogen 2.511 N/A ILE 102.A N VAL 27.A O no hydrogen 3.024 N/A PHE 103.A N VAL 7.A O no hydrogen 2.729 N/A ASP 104.A N VAL 29.A O no hydrogen 2.707 N/A ARG 105.A N ILE 9.A O no hydrogen 2.970 N/A ARG 105.A NE ASP 10.A OD1 no hydrogen 3.384 N/A ARG 105.A NH2 TYR 114.A OH no hydrogen 2.642 N/A HIS 106.A N ASP 10.A OD2 no hydrogen 2.823 N/A ILE 108.A N HIS 106.A ND1 no hydrogen 3.133 N/A ALA 109.A N HIS 106.A O no hydrogen 3.076 N/A ALA 110.A N PRO 107.A O no hydrogen 3.103 N/A LEU 111.A N PRO 107.A O no hydrogen 3.031 N/A LEU 112.A N ILE 108.A O no hydrogen 2.774 N/A CYS 113.A N ILE 108.A O no hydrogen 3.077 N/A CYS 113.A SG ILE 108.A O no hydrogen 3.627 N/A TYR 114.A N ALA 109.A O no hydrogen 2.989 N/A TYR 114.A OH HIS 13.A ND1 no hydrogen 2.493 N/A ALA 116.A N LEU 112.A O no hydrogen 2.971 N/A ALA 117.A N CYS 113.A O no hydrogen 2.965 N/A ARG 118.A N TYR 114.A O no hydrogen 2.780 N/A ARG 118.A NH1 GLN 52.A OE1 no hydrogen 2.669 N/A TYR 119.A N PRO 115.A O no hydrogen 2.728 N/A LEU 120.A N ALA 116.A O no hydrogen 2.731 N/A MET 121.A N ARG 118.A O no hydrogen 3.009 N/A GLY 122.A N TYR 119.A O no hydrogen 2.836 N/A SER 123.A N ARG 118.A O no hydrogen 2.853 N/A SER 123.A OG GLN 52.A OE1 no hydrogen 2.702 N/A SER 123.A OG ARG 118.A O no hydrogen 2.988 N/A GLN 127.A N GLN 127.A OE1 no hydrogen 3.181 N/A ALA 128.A N THR 125.A OG1 no hydrogen 3.100 N/A VAL 129.A N THR 125.A O no hydrogen 3.142 N/A LEU 130.A N PRO 126.A O no hydrogen 3.109 N/A ALA 131.A N GLN 127.A O no hydrogen 2.961 N/A PHE 132.A N ALA 128.A O no hydrogen 3.077 N/A VAL 133.A N VAL 129.A O no hydrogen 3.036 N/A ALA 134.A N LEU 130.A O no hydrogen 2.904 N/A LEU 135.A N ALA 131.A O no hydrogen 3.217 N/A LEU 135.A N PHE 132.A O no hydrogen 3.007 N/A ILE 136.A N VAL 133.A O no hydrogen 3.203 N/A THR 139.A OG1 ARG 244.A O no hydrogen 2.585 N/A GLY 142.A N GLU 94.A OE2 no hydrogen 3.011 N/A THR 143.A OG1 LEU 140.A O no hydrogen 2.844 N/A ASN 144.A ND2 ARG 6.A O no hydrogen 2.901 N/A ASN 144.A ND2 VAL 274.A O no hydrogen 2.944 N/A ILE 145.A N HIS 249.A O no hydrogen 2.530 N/A VAL 146.A N TYR 8.A O no hydrogen 2.806 N/A LEU 147.A N PHE 251.A O no hydrogen 2.798 N/A ALA 149.A N LEU 253.A O no hydrogen 2.746 N/A HIS 155.A N PRO 151.A O no hydrogen 2.940 N/A HIS 155.A NE2 HIS 13.A O no hydrogen 2.552 N/A ILE 156.A N GLU 152.A O no hydrogen 2.909 N/A ASP 157.A N ASP 153.A O no hydrogen 3.339 N/A ARG 158.A N ARG 154.A O no hydrogen 3.069 N/A ARG 158.A NH1 MET 15.A O no hydrogen 3.137 N/A ARG 158.A NH2 GLN 257.A O no hydrogen 2.588 N/A LEU 159.A N HIS 155.A O no hydrogen 2.733 N/A ALA 160.A N ILE 156.A O no hydrogen 3.029 N/A LYS 161.A N ASP 157.A O no hydrogen 3.315 N/A LYS 161.A NZ ARG 158.A O no hydrogen 3.524 N/A ARG 162.A N LEU 159.A O no hydrogen 3.237 N/A ARG 162.A NH1 LYS 161.A O no hydrogen 3.114 N/A ARG 164.A N GLU 167.A OE2 no hydrogen 3.031 N/A ARG 164.A NE GLU 31.A OE2 no hydrogen 3.038 N/A ARG 164.A NH2 GLU 31.A OE1 no hydrogen 3.318 N/A GLU 167.A N ARG 164.A O no hydrogen 3.003 N/A ARG 168.A NH2 THR 50.A OG1 no hydrogen 3.248 N/A ALA 172.A N ASP 170.A OD1 no hydrogen 2.939 N/A MET 173.A N ASP 170.A OD1 no hydrogen 2.942 N/A LEU 174.A N ASP 170.A O no hydrogen 2.929 N/A ALA 175.A N LEU 171.A O no hydrogen 3.010 N/A ALA 176.A N ALA 172.A O no hydrogen 2.998 N/A ILE 177.A N MET 173.A O no hydrogen 3.121 N/A ARG 178.A N LEU 174.A O no hydrogen 3.013 N/A ARG 178.A NE HIS 155.A ND1 no hydrogen 3.273 N/A ARG 178.A NH2 LEU 150.A O no hydrogen 2.418 N/A ARG 179.A N ALA 175.A O no hydrogen 2.850 N/A VAL 180.A N ALA 176.A O no hydrogen 2.820 N/A TYR 181.A N ILE 177.A O no hydrogen 3.041 N/A TYR 181.A OH ASP 10.A OD1 no hydrogen 2.531 N/A GLY 182.A N ARG 178.A O no hydrogen 3.023 N/A LEU 183.A N ARG 179.A O no hydrogen 3.044 N/A LEU 184.A N VAL 180.A O no hydrogen 2.870 N/A ALA 185.A N TYR 181.A O no hydrogen 3.017 N/A ASN 186.A N GLY 182.A O no hydrogen 3.058 N/A ASN 186.A ND2 ASP 212.A O no hydrogen 2.712 N/A THR 187.A N LEU 183.A O no hydrogen 2.727 N/A THR 187.A OG1 LEU 183.A O no hydrogen 2.806 N/A VAL 188.A N LEU 184.A O no hydrogen 3.199 N/A ARG 189.A N ALA 185.A O no hydrogen 3.330 N/A ARG 189.A NH2 ASN 186.A OD1 no hydrogen 2.965 N/A TYR 190.A N ASN 186.A O no hydrogen 2.870 N/A TYR 190.A OH ASP 200.A OD2 no hydrogen 2.519 N/A LEU 191.A N THR 187.A O no hydrogen 2.895 N/A GLN 192.A N VAL 188.A O no hydrogen 2.891 N/A GLN 192.A NE2 ARG 246.A O no hydrogen 3.614 N/A CYS 193.A N ARG 189.A O no hydrogen 2.898 N/A CYS 193.A N TYR 190.A O no hydrogen 3.119 N/A CYS 193.A SG ARG 189.A O no hydrogen 3.343 N/A GLY 194.A N LEU 191.A O no hydrogen 3.129 N/A GLY 195.A N TYR 190.A O no hydrogen 2.894 N/A ARG 198.A NE ASP 239.A OD1 no hydrogen 3.156 N/A ARG 198.A NH2 ASP 239.A OD1 no hydrogen 3.185 N/A ARG 198.A NH2 ASP 239.A OD2 no hydrogen 2.927 N/A GLU 199.A N SER 196.A O no hydrogen 2.985 N/A ASP 200.A N SER 196.A O no hydrogen 2.968 N/A GLN 203.A N ASP 200.A O no hydrogen 3.016 N/A LEU 204.A N TRP 201.A O no hydrogen 3.005 N/A SER 205.A N GLY 202.A O no hydrogen 2.956 N/A ARG 207.A NH2 CYS 193.A O no hydrogen 3.320 N/A GLY 211.A N HIS 209.A ND1 no hydrogen 2.633 N/A ASP 212.A N HIS 209.A O no hydrogen 2.502 N/A THR 213.A N ILE 210.A O no hydrogen 3.334 N/A THR 213.A OG1 ILE 210.A O no hydrogen 2.650 N/A LEU 214.A N THR 187.A OG1 no hydrogen 2.817 N/A THR 216.A N THR 213.A O no hydrogen 3.101 N/A LEU 217.A N LEU 214.A O no hydrogen 2.847 N/A PHE 218.A N PHE 215.A O no hydrogen 3.246 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 2.763 N/A LEU 223.A N ALA 220.A O no hydrogen 2.919 N/A ALA 225.A N ASP 229.A O no hydrogen 2.643 N/A GLY 228.A N ALA 225.A O no hydrogen 2.602 N/A ASP 229.A N ASN 227.A OD1 no hydrogen 2.849 N/A TYR 231.A N LEU 223.A O no hydrogen 3.039 N/A PHE 234.A N TYR 231.A O no hydrogen 3.046 N/A ALA 235.A N TYR 231.A O no hydrogen 2.940 N/A TRP 236.A N ASN 232.A O no hydrogen 2.689 N/A ALA 237.A N VAL 233.A O no hydrogen 3.219 N/A LEU 238.A N PHE 234.A O no hydrogen 3.061 N/A ASP 239.A N ALA 235.A O no hydrogen 3.112 N/A VAL 240.A N TRP 236.A O no hydrogen 3.093 N/A LEU 241.A N ALA 237.A O no hydrogen 3.030 N/A ALA 242.A N LEU 238.A O no hydrogen 2.846 N/A LYS 243.A N ASP 239.A O no hydrogen 2.972 N/A ARG 244.A N VAL 240.A O no hydrogen 2.814 N/A ARG 244.A NH1 ILE 136.A O no hydrogen 3.066 N/A LEU 245.A N LEU 241.A O no hydrogen 3.186 N/A ARG 246.A N ALA 242.A O no hydrogen 3.232 N/A MET 248.A N LEU 245.A O no hydrogen 3.202 N/A HIS 249.A N THR 143.A O no hydrogen 2.714 N/A PHE 251.A N ILE 145.A O no hydrogen 2.706 N/A LEU 253.A N LEU 147.A O no hydrogen 2.831 N/A TYR 255.A N ALA 149.A O no hydrogen 2.692 N/A TYR 255.A OH THR 20.A OG1 no hydrogen 3.316 N/A ASP 256.A N ASP 254.A OD1 no hydrogen 3.054 N/A GLN 257.A NE2 ASP 254.A O no hydrogen 2.529 N/A CYS 262.A N SER 258.A O no hydrogen 2.725 N/A CYS 262.A SG ASP 254.A O no hydrogen 3.913 N/A CYS 262.A SG SER 258.A O no hydrogen 3.704 N/A ARG 263.A N PRO 259.A O no hydrogen 2.990 N/A ASP 264.A N ALA 260.A O no hydrogen 2.861 N/A ALA 265.A N GLY 261.A O no hydrogen 2.748 N/A LEU 266.A N CYS 262.A O no hydrogen 2.822 N/A LEU 267.A N ARG 263.A O no hydrogen 3.133 N/A LEU 267.A N ASP 264.A O no hydrogen 3.081 N/A GLN 268.A N ASP 264.A O no hydrogen 3.202 N/A GLN 268.A N ALA 265.A O no hydrogen 3.223 N/A LEU 269.A N ALA 265.A O no hydrogen 3.271 N/A THR 270.A N LEU 266.A O no hydrogen 3.378 N/A THR 270.A OG1 LEU 266.A O no hydrogen 3.096 N/A SER 271.A N GLN 268.A O no hydrogen 3.048 N/A SER 271.A OG GLN 268.A O no hydrogen 3.488 N/A GLY 272.A N LEU 269.A O no hydrogen 3.131 N/A MET 273.A N THR 270.A O no hydrogen 3.270 N/A VAL 274.A N ASN 144.A OD1 no hydrogen 2.781 N/A THR 276.A N LEU 4.A O no hydrogen 3.087 N/A THR 276.A OG1 HIS 277.A O no hydrogen 3.420 N/A HIS 277.A N GLY 93.A O no hydrogen 3.012 N/A VAL 278.A N PRO 2.A O no hydrogen 3.156 N/A THR 279.A N HIS 90.A O no hydrogen 2.738 N/A THR 279.A OG1 PRO 89.A O no hydrogen 3.079 N/A THR 280.A N SER 283.A OG no hydrogen 3.074 N/A THR 280.A OG1 SER 283.A OG no hydrogen 2.812 N/A SER 283.A N THR 280.A O no hydrogen 3.252 N/A SER 283.A OG THR 280.A O no hydrogen 3.155 N/A SER 283.A OG THR 280.A OG1 no hydrogen 2.812 N/A THR 286.A OG1 GLY 282.A O no hydrogen 2.662 N/A ILE 287.A N SER 283.A O no hydrogen 2.734 N/A CYS 288.A N ILE 284.A O no hydrogen 2.923 N/A ASP 289.A N PRO 285.A O no hydrogen 2.966 N/A LEU 290.A N THR 286.A O no hydrogen 3.001 N/A ALA 291.A N ILE 287.A O no hydrogen 2.912 N/A ARG 292.A N CYS 288.A O no hydrogen 2.809 N/A THR 293.A N ASP 289.A O no hydrogen 2.570 N/A THR 293.A OG1 ASP 289.A O no hydrogen 2.766 N/A PHE 294.A N LEU 290.A O no hydrogen 2.772 N/A ALA 295.A N ALA 291.A O no hydrogen 2.961 N/A ARG 296.A N ARG 292.A O no hydrogen 3.274 N/A GLU 297.A N THR 293.A O no hydrogen 3.096 N/A MET 298.A N PHE 294.A O no hydrogen 2.779 N/A GLY 299.A N ALA 295.A O no hydrogen 2.788 N/A