Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ki4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 GLN 278.A OE1 no hydrogen 3.382 N/A LEU 4.A N THR 279.A O no hydrogen 2.732 N/A LEU 5.A N LEU 101.A O no hydrogen 2.904 N/A ARG 6.A NH2 THR 145.A OG1 no hydrogen 3.420 N/A VAL 7.A N LEU 103.A O no hydrogen 2.792 N/A TYR 8.A N ASN 146.A O no hydrogen 2.845 N/A ILE 9.A N PHE 105.A O no hydrogen 3.161 N/A ASP 10.A N VAL 148.A O no hydrogen 2.488 N/A GLY 11.A N ASP 10.A OD1 no hydrogen 2.805 N/A THR 20.A N GLY 16.A O no hydrogen 3.335 N/A THR 21.A N LYS 17.A O no hydrogen 3.182 N/A THR 21.A N THR 18.A O no hydrogen 3.105 N/A THR 21.A OG1 LYS 17.A O no hydrogen 3.295 N/A THR 21.A OG1 THR 18.A O no hydrogen 2.979 N/A THR 21.A OG1 TYR 29.A OH no hydrogen 3.009 N/A GLN 22.A N THR 18.A O no hydrogen 3.040 N/A LEU 23.A N THR 19.A O no hydrogen 3.284 N/A LEU 24.A N THR 21.A O no hydrogen 2.750 N/A VAL 25.A N GLN 22.A O no hydrogen 3.683 N/A VAL 28.A N THR 102.A O no hydrogen 2.944 N/A TYR 29.A OH THR 21.A OG1 no hydrogen 3.009 N/A TYR 29.A OH ASP 106.A OD1 no hydrogen 2.685 N/A VAL 30.A N ILE 104.A O no hydrogen 2.653 N/A MET 34.A N GLU 32.A O no hydrogen 2.719 N/A THR 35.A N MET 301.A O no hydrogen 2.871 N/A THR 35.A OG1 MET 301.A O no hydrogen 3.004 N/A TYR 36.A N PRO 33.A O no hydrogen 2.731 N/A TRP 37.A N PRO 33.A O no hydrogen 3.211 N/A TRP 37.A N MET 34.A O no hydrogen 3.057 N/A ARG 38.A N MET 34.A O no hydrogen 2.759 N/A ARG 38.A NE GLU 303.A OE1 no hydrogen 3.063 N/A ARG 38.A NH2 GLU 303.A OE1 no hydrogen 3.046 N/A VAL 39.A N THR 35.A O no hydrogen 2.726 N/A LEU 40.A N THR 35.A O no hydrogen 2.719 N/A GLY 41.A N TYR 36.A O no hydrogen 2.574 N/A GLU 44.A N ARG 38.A O no hydrogen 3.066 N/A THR 45.A N TRP 37.A O no hydrogen 3.187 N/A THR 45.A OG1 TRP 37.A O no hydrogen 2.650 N/A ASN 48.A N GLU 44.A O no hydrogen 3.146 N/A ILE 49.A N THR 45.A O no hydrogen 3.067 N/A TYR 50.A N ILE 46.A O no hydrogen 3.222 N/A THR 51.A N ALA 47.A O no hydrogen 2.704 N/A THR 51.A OG1 ALA 47.A O no hydrogen 2.980 N/A THR 52.A N ASN 48.A O no hydrogen 2.898 N/A THR 52.A OG1 ASN 48.A O no hydrogen 2.987 N/A GLN 53.A N ILE 49.A O no hydrogen 3.125 N/A GLN 53.A NE2 ASP 57.A OD1 no hydrogen 3.188 N/A GLN 53.A NE2 MET 123.A O no hydrogen 3.339 N/A HIS 54.A N TYR 50.A O no hydrogen 3.055 N/A ARG 55.A N THR 51.A O no hydrogen 2.876 N/A LEU 56.A N THR 52.A O no hydrogen 2.912 N/A ASP 57.A N GLN 53.A O no hydrogen 2.782 N/A GLN 58.A N HIS 54.A O no hydrogen 2.967 N/A GLN 58.A NE2 HIS 54.A O no hydrogen 3.505 N/A GLY 59.A N LEU 56.A O no hydrogen 2.851 N/A GLU 60.A N ARG 55.A O no hydrogen 2.685 N/A ILE 61.A N ARG 55.A O no hydrogen 3.407 N/A SER 62.A OG ASP 65.A OD2 no hydrogen 2.597 N/A ALA 66.A N SER 62.A O no hydrogen 2.986 N/A ALA 67.A N ALA 63.A O no hydrogen 3.212 N/A VAL 68.A N GLY 64.A O no hydrogen 3.202 N/A VAL 69.A N ASP 65.A O no hydrogen 3.137 N/A MET 70.A N ALA 66.A O no hydrogen 2.643 N/A THR 71.A N ALA 67.A O no hydrogen 2.563 N/A THR 71.A OG1 ALA 67.A O no hydrogen 2.555 N/A SER 72.A N VAL 68.A O no hydrogen 2.826 N/A ALA 73.A N VAL 69.A O no hydrogen 2.947 N/A ALA 73.A N MET 70.A O no hydrogen 3.276 N/A GLN 74.A N MET 70.A O no hydrogen 3.190 N/A GLN 74.A NE2 ALA 112.A O no hydrogen 3.320 N/A MET 77.A N ALA 73.A O no hydrogen 3.059 N/A GLY 78.A N GLN 74.A O no hydrogen 3.303 N/A GLY 78.A N ILE 75.A O no hydrogen 3.274 N/A MET 79.A N ILE 75.A O no hydrogen 3.100 N/A TYR 81.A OH ASP 106.A O no hydrogen 2.637 N/A ALA 82.A N GLY 78.A O no hydrogen 2.541 N/A VAL 83.A N MET 79.A O no hydrogen 2.900 N/A THR 84.A N PRO 80.A O no hydrogen 3.173 N/A THR 84.A OG1 PRO 80.A O no hydrogen 2.578 N/A ASP 85.A N TYR 81.A O no hydrogen 3.028 N/A ALA 86.A N ALA 82.A O no hydrogen 2.873 N/A VAL 87.A N VAL 83.A O no hydrogen 2.783 N/A LEU 88.A N THR 84.A O no hydrogen 2.736 N/A ALA 89.A N ASP 85.A O no hydrogen 2.648 N/A HIS 91.A N LEU 88.A O no hydrogen 2.999 N/A ILE 92.A N ALA 89.A O no hydrogen 3.150 N/A GLY 93.A N HIS 280.A O no hydrogen 2.677 N/A ALA 96.A N GLN 278.A O no hydrogen 2.779 N/A GLY 97.A N GLN 278.A O no hydrogen 3.444 N/A ALA 100.A N THR 3.A O no hydrogen 2.684 N/A THR 102.A N ASP 26.A O no hydrogen 3.303 N/A LEU 103.A N LEU 5.A O no hydrogen 2.548 N/A ILE 104.A N VAL 28.A O no hydrogen 2.834 N/A PHE 105.A N VAL 7.A O no hydrogen 2.905 N/A ASP 106.A N VAL 30.A O no hydrogen 2.700 N/A ARG 107.A N ILE 9.A O no hydrogen 2.897 N/A HIS 108.A N ASP 10.A OD2 no hydrogen 2.935 N/A ILE 110.A N HIS 108.A ND1 no hydrogen 3.327 N/A ALA 111.A N HIS 108.A O no hydrogen 3.309 N/A ALA 112.A N PRO 109.A O no hydrogen 2.747 N/A LEU 113.A N PRO 109.A O no hydrogen 2.933 N/A CYS 115.A N ILE 110.A O no hydrogen 2.829 N/A CYS 115.A SG ILE 110.A O no hydrogen 3.571 N/A TYR 116.A N ALA 111.A O no hydrogen 2.710 N/A ALA 118.A N LEU 114.A O no hydrogen 3.002 N/A ALA 119.A N CYS 115.A O no hydrogen 3.199 N/A ARG 120.A N TYR 116.A O no hydrogen 2.976 N/A ARG 120.A NH1 GLN 53.A OE1 no hydrogen 2.684 N/A TYR 121.A N PRO 117.A O no hydrogen 2.915 N/A LEU 122.A N ALA 118.A O no hydrogen 2.668 N/A MET 123.A N ARG 120.A O no hydrogen 3.118 N/A GLY 124.A N TYR 121.A O no hydrogen 2.465 N/A SER 125.A N ARG 120.A O no hydrogen 2.731 N/A SER 125.A OG GLN 53.A OE1 no hydrogen 3.498 N/A SER 125.A OG ARG 120.A O no hydrogen 2.813 N/A GLN 129.A N GLN 129.A OE1 no hydrogen 2.977 N/A ALA 130.A N THR 127.A OG1 no hydrogen 2.873 N/A VAL 131.A N THR 127.A O no hydrogen 3.166 N/A LEU 132.A N PRO 128.A O no hydrogen 3.083 N/A ALA 133.A N GLN 129.A O no hydrogen 3.090 N/A ALA 133.A N ALA 130.A O no hydrogen 2.958 N/A PHE 134.A N ALA 130.A O no hydrogen 3.049 N/A VAL 135.A N VAL 131.A O no hydrogen 3.096 N/A ALA 136.A N LEU 132.A O no hydrogen 3.066 N/A LEU 137.A N PHE 134.A O no hydrogen 2.907 N/A ILE 138.A N VAL 135.A O no hydrogen 2.845 N/A THR 141.A OG1 ARG 247.A O no hydrogen 2.838 N/A GLY 144.A N GLU 95.A OE2 no hydrogen 3.016 N/A THR 145.A OG1 LEU 142.A O no hydrogen 3.006 N/A ASN 146.A ND2 ARG 6.A O no hydrogen 2.707 N/A ASN 146.A ND2 VAL 277.A O no hydrogen 3.360 N/A ILE 147.A N HIS 252.A O no hydrogen 2.704 N/A VAL 148.A N TYR 8.A O no hydrogen 2.792 N/A LEU 149.A N PHE 254.A O no hydrogen 2.797 N/A ALA 151.A N LEU 256.A O no hydrogen 2.632 N/A HIS 157.A N PRO 153.A O no hydrogen 2.742 N/A HIS 157.A NE2 HIS 13.A O no hydrogen 2.838 N/A ILE 158.A N GLU 154.A O no hydrogen 2.616 N/A ASP 159.A N ASP 155.A O no hydrogen 2.924 N/A ARG 160.A N ARG 156.A O no hydrogen 2.952 N/A ARG 160.A NH1 MET 15.A O no hydrogen 3.084 N/A ARG 160.A NH1 TYR 258.A O no hydrogen 2.693 N/A ARG 160.A NH2 GLN 260.A O no hydrogen 2.948 N/A LEU 161.A N HIS 157.A O no hydrogen 2.622 N/A ALA 162.A N ILE 158.A O no hydrogen 3.003 N/A LYS 163.A N ASP 159.A O no hydrogen 3.063 N/A LYS 163.A NZ ARG 164.A O no hydrogen 3.102 N/A ARG 164.A NH1 LYS 163.A O no hydrogen 3.304 N/A ARG 166.A N GLU 169.A OE2 no hydrogen 3.002 N/A GLU 169.A N ARG 166.A O no hydrogen 3.371 N/A ARG 170.A NH2 THR 51.A OG1 no hydrogen 2.977 N/A ALA 174.A N ASP 172.A OD1 no hydrogen 2.959 N/A MET 175.A N ASP 172.A OD1 no hydrogen 2.836 N/A LEU 176.A N ASP 172.A O no hydrogen 2.890 N/A ALA 177.A N LEU 173.A O no hydrogen 3.131 N/A ALA 178.A N ALA 174.A O no hydrogen 2.544 N/A ILE 179.A N MET 175.A O no hydrogen 2.801 N/A ARG 180.A N LEU 176.A O no hydrogen 2.662 N/A ARG 180.A NE HIS 157.A ND1 no hydrogen 3.389 N/A ARG 181.A N ALA 177.A O no hydrogen 2.759 N/A VAL 182.A N ALA 178.A O no hydrogen 3.117 N/A TYR 183.A N ILE 179.A O no hydrogen 3.336 N/A TYR 183.A OH ASP 10.A OD1 no hydrogen 3.079 N/A GLY 184.A N ARG 180.A O no hydrogen 3.111 N/A LEU 185.A N ARG 181.A O no hydrogen 2.821 N/A LEU 186.A N VAL 182.A O no hydrogen 2.621 N/A ALA 187.A N TYR 183.A O no hydrogen 2.836 N/A ASN 188.A N GLY 184.A O no hydrogen 3.180 N/A ASN 188.A ND2 ASP 215.A O no hydrogen 2.653 N/A THR 189.A N LEU 185.A O no hydrogen 2.728 N/A THR 189.A OG1 LEU 185.A O no hydrogen 3.137 N/A VAL 190.A N LEU 186.A O no hydrogen 3.203 N/A ARG 191.A NH2 ASN 188.A OD1 no hydrogen 3.175 N/A TYR 192.A N ASN 188.A O no hydrogen 3.075 N/A TYR 192.A OH ASP 202.A OD2 no hydrogen 2.959 N/A LEU 193.A N THR 189.A O no hydrogen 2.808 N/A GLN 194.A N VAL 190.A O no hydrogen 3.001 N/A GLN 194.A NE2 ARG 249.A O no hydrogen 2.892 N/A CYS 195.A N ARG 191.A O no hydrogen 2.790 N/A CYS 195.A N TYR 192.A O no hydrogen 2.953 N/A CYS 195.A SG ARG 191.A O no hydrogen 3.149 N/A CYS 195.A SG PRO 209.A O no hydrogen 3.269 N/A GLY 196.A N LEU 193.A O no hydrogen 2.981 N/A GLY 197.A N TYR 192.A O no hydrogen 3.021 N/A ARG 200.A NE ASP 242.A OD1 no hydrogen 3.024 N/A ARG 200.A NH2 ASP 242.A OD1 no hydrogen 3.530 N/A ARG 200.A NH2 ASP 242.A OD2 no hydrogen 2.827 N/A ASP 202.A N SER 198.A O no hydrogen 2.919 N/A TRP 203.A N TRP 199.A O no hydrogen 2.551 N/A GLN 205.A N ASP 202.A O no hydrogen 3.005 N/A LEU 206.A N TRP 203.A O no hydrogen 3.456 N/A SER 207.A N GLY 204.A O no hydrogen 3.330 N/A GLY 208.A N GLY 204.A O no hydrogen 3.504 N/A GLY 208.A N GLN 205.A O no hydrogen 3.550 N/A ARG 210.A NH2 CYS 195.A O no hydrogen 3.053 N/A GLY 214.A N HIS 212.A ND1 no hydrogen 2.896 N/A ASP 215.A N HIS 212.A O no hydrogen 2.482 N/A THR 216.A N ILE 213.A O no hydrogen 3.318 N/A THR 216.A OG1 ILE 213.A O no hydrogen 2.690 N/A LEU 217.A N THR 189.A OG1 no hydrogen 2.644 N/A PHE 218.A N THR 216.A OG1 no hydrogen 3.279 N/A THR 219.A N THR 216.A O no hydrogen 3.288 N/A LEU 220.A N LEU 217.A O no hydrogen 3.268 N/A PHE 221.A N PHE 218.A O no hydrogen 3.103 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.914 N/A LEU 226.A N ALA 223.A O no hydrogen 2.539 N/A ALA 228.A N ASP 232.A O no hydrogen 2.386 N/A ASN 230.A ND2 ASP 232.A OD2 no hydrogen 2.993 N/A GLY 231.A N ALA 228.A O no hydrogen 2.528 N/A ASP 232.A N ASN 230.A OD1 no hydrogen 2.743 N/A TYR 234.A N LEU 226.A O no hydrogen 3.023 N/A ALA 238.A N TYR 234.A O no hydrogen 2.886 N/A TRP 239.A N ASN 235.A O no hydrogen 2.797 N/A ALA 240.A N VAL 236.A O no hydrogen 3.105 N/A LEU 241.A N PHE 237.A O no hydrogen 3.342 N/A LEU 241.A N ALA 238.A O no hydrogen 3.277 N/A ASP 242.A N TRP 239.A O no hydrogen 2.549 N/A VAL 243.A N TRP 239.A O no hydrogen 2.988 N/A LEU 244.A N ALA 240.A O no hydrogen 3.014 N/A ALA 245.A N LEU 241.A O no hydrogen 2.865 N/A LYS 246.A N ASP 242.A O no hydrogen 2.834 N/A ARG 247.A N VAL 243.A O no hydrogen 2.728 N/A ARG 247.A NH1 ILE 138.A O no hydrogen 3.211 N/A LEU 248.A N LEU 244.A O no hydrogen 3.167 N/A ARG 249.A N ALA 245.A O no hydrogen 3.266 N/A SER 250.A OG ARG 247.A O no hydrogen 3.322 N/A MET 251.A N LEU 248.A O no hydrogen 3.032 N/A HIS 252.A N THR 145.A O no hydrogen 3.040 N/A PHE 254.A N ILE 147.A O no hydrogen 2.728 N/A LEU 256.A N LEU 149.A O no hydrogen 3.027 N/A TYR 258.A N ALA 151.A O no hydrogen 2.535 N/A ASP 259.A N ASP 257.A OD1 no hydrogen 2.985 N/A GLN 260.A N TYR 258.A O no hydrogen 2.577 N/A GLN 260.A NE2 ASP 257.A O no hydrogen 2.436 N/A GLY 264.A N SER 261.A OG no hydrogen 3.217 N/A CYS 265.A N SER 261.A O no hydrogen 2.688 N/A CYS 265.A SG TYR 258.A O no hydrogen 3.537 N/A CYS 265.A SG GLN 260.A O no hydrogen 3.792 N/A CYS 265.A SG SER 261.A O no hydrogen 3.745 N/A ARG 266.A N PRO 262.A O no hydrogen 2.652 N/A ASP 267.A N ALA 263.A O no hydrogen 2.747 N/A ALA 268.A N GLY 264.A O no hydrogen 2.732 N/A LEU 269.A N CYS 265.A O no hydrogen 2.660 N/A LEU 270.A N ARG 266.A O no hydrogen 3.006 N/A GLN 271.A N ALA 268.A O no hydrogen 2.576 N/A GLN 271.A NE2 ASP 267.A O no hydrogen 3.197 N/A LEU 272.A N ALA 268.A O no hydrogen 3.065 N/A THR 273.A OG1 LEU 269.A O no hydrogen 3.104 N/A SER 274.A N GLN 271.A O no hydrogen 3.355 N/A SER 274.A OG GLN 271.A O no hydrogen 3.410 N/A GLY 275.A N LEU 272.A O no hydrogen 2.864 N/A MET 276.A N THR 273.A O no hydrogen 3.209 N/A VAL 277.A N ASN 146.A OD1 no hydrogen 2.768 N/A THR 279.A N LEU 4.A O no hydrogen 3.167 N/A THR 279.A OG1 HIS 280.A O no hydrogen 3.481 N/A HIS 280.A N GLY 94.A O no hydrogen 2.926 N/A VAL 281.A N PRO 2.A O no hydrogen 3.201 N/A THR 282.A OG1 PRO 90.A O no hydrogen 3.263 N/A THR 283.A N SER 286.A OG no hydrogen 2.901 N/A THR 283.A OG1 SER 286.A OG no hydrogen 2.615 N/A SER 286.A N THR 283.A O no hydrogen 3.098 N/A SER 286.A OG THR 283.A O no hydrogen 3.377 N/A SER 286.A OG THR 283.A OG1 no hydrogen 2.615 N/A THR 289.A N GLY 285.A O no hydrogen 3.323 N/A THR 289.A OG1 GLY 285.A O no hydrogen 2.644 N/A ILE 290.A N SER 286.A O no hydrogen 2.822 N/A CYS 291.A N ILE 287.A O no hydrogen 2.744 N/A ASP 292.A N PRO 288.A O no hydrogen 2.787 N/A LEU 293.A N THR 289.A O no hydrogen 2.886 N/A ALA 294.A N ILE 290.A O no hydrogen 2.899 N/A ARG 295.A N CYS 291.A O no hydrogen 3.054 N/A THR 296.A N ASP 292.A O no hydrogen 2.751 N/A THR 296.A OG1 ASP 292.A O no hydrogen 2.425 N/A PHE 297.A N LEU 293.A O no hydrogen 2.708 N/A ALA 298.A N ALA 294.A O no hydrogen 3.226 N/A ARG 299.A N ARG 295.A O no hydrogen 2.976 N/A GLU 300.A N THR 296.A O no hydrogen 3.159 N/A GLU 300.A N PHE 297.A O no hydrogen 3.255 N/A MET 301.A N PHE 297.A O no hydrogen 2.896 N/A GLY 302.A N ALA 298.A O no hydrogen 2.737 N/A