Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qs8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N ILE 170.A O no hydrogen 2.842 N/A ILE 6.A N LEU 168.A O no hydrogen 2.852 N/A LEU 8.A N GLY 166.A O no hydrogen 2.661 N/A ASP 9.A N TYR 17.A O no hydrogen 2.887 N/A VAL 11.A N MET 15.A O no hydrogen 2.913 N/A ASN 13.A N ASP 10.A OD1 no hydrogen 2.807 N/A ILE 14.A N VAL 11.A O no hydrogen 3.266 N/A TYR 17.A N ASP 9.A O no hydrogen 3.156 N/A TYR 17.A OH ASP 9.A OD1 no hydrogen 3.280 N/A GLY 18.A N LEU 31.A O no hydrogen 2.920 N/A GLY 20.A N PHE 29.A O no hydrogen 2.977 N/A GLU 21.A N THR 92.A O no hydrogen 2.914 N/A VAL 22.A N GLN 27.A O no hydrogen 3.078 N/A GLY 23.A N LEU 90.A O no hydrogen 2.608 N/A ASP 24.A N SER 63.A OG no hydrogen 2.972 N/A HIS 26.A N GLY 23.A O no hydrogen 2.984 N/A GLN 27.A N VAL 22.A O no hydrogen 3.139 N/A GLN 27.A NE2 ASN 25.A OD1 no hydrogen 3.254 N/A GLN 27.A NE2 ASP 59.A O no hydrogen 2.970 N/A LYS 28.A NZ GLU 21.A OE1 no hydrogen 3.512 N/A PHE 29.A N GLY 20.A O no hydrogen 2.852 N/A MET 30.A N ASP 121.A OD2 no hydrogen 2.764 N/A LEU 31.A N GLY 18.A O no hydrogen 2.729 N/A ILE 32.A N GLY 122.A O no hydrogen 3.080 N/A ASP 34.A N LEU 124.A O no hydrogen 3.030 N/A THR 35.A N SER 215.A OG no hydrogen 3.000 N/A THR 35.A OG1 VAL 213.A O no hydrogen 2.716 N/A GLY 36.A N ASP 34.A OD2 no hydrogen 2.984 N/A SER 37.A N ASP 34.A O no hydrogen 3.319 N/A SER 37.A OG ASP 34.A OD1 no hydrogen 2.649 N/A ASN 39.A ND2 ILE 133.A O no hydrogen 2.882 N/A TRP 41.A N ILE 123.A O no hydrogen 2.944 N/A TRP 41.A NE1 TYR 77.A OH no hydrogen 2.652 N/A VAL 42.A N ILE 103.A O no hydrogen 3.299 N/A SER 44.A N VAL 105.A O no hydrogen 2.778 N/A SER 44.A OG GLU 104.A OE2 no hydrogen 2.930 N/A LYS 45.A N TYR 58.A O no hydrogen 2.897 N/A LYS 46.A N SER 44.A OG no hydrogen 3.175 N/A CYS 47.A N SER 44.A O no hydrogen 2.665 N/A CYS 52.A N SER 49.A O no hydrogen 2.813 N/A SER 53.A N SER 50.A O no hydrogen 2.868 N/A SER 53.A OG SER 50.A O no hydrogen 2.434 N/A ILE 54.A N GLY 51.A O no hydrogen 3.316 N/A LYS 55.A N CYS 52.A O no hydrogen 3.173 N/A LYS 55.A NZ TYR 115.A O no hydrogen 2.971 N/A LYS 55.A NZ VAL 118.A O no hydrogen 3.086 N/A LYS 55.A NZ PHE 120.A O no hydrogen 2.840 N/A ASN 56.A N ASP 121.A OD1 no hydrogen 2.996 N/A ASN 56.A ND2 ASP 121.A OD1 no hydrogen 3.464 N/A ASN 56.A ND2 ASP 121.A OD2 no hydrogen 3.063 N/A TYR 58.A N PRO 43.A O no hydrogen 2.928 N/A TYR 58.A OH ASP 89.A OD1 no hydrogen 2.662 N/A ASP 59.A N GLN 27.A OE1 no hydrogen 2.880 N/A SER 61.A N ASP 59.A OD1 no hydrogen 2.878 N/A SER 61.A OG ASP 59.A OD1 no hydrogen 2.363 N/A LYS 62.A N ASP 59.A O no hydrogen 3.229 N/A LYS 62.A N ASP 59.A OD1 no hydrogen 3.289 N/A SER 63.A OG ASP 24.A OD2 no hydrogen 3.199 N/A SER 63.A OG ASP 89.A OD1 no hydrogen 2.710 N/A SER 63.A OG ASP 89.A OD2 no hydrogen 3.096 N/A LYS 64.A N ASP 24.A OD2 no hydrogen 3.341 N/A SER 65.A OG SER 63.A OG no hydrogen 2.926 N/A SER 65.A OG ASP 89.A OD2 no hydrogen 2.526 N/A TYR 66.A N SER 63.A O no hydrogen 3.378 N/A GLU 67.A N LYS 88.A O no hydrogen 2.632 N/A GLY 70.A N PHE 86.A O no hydrogen 3.048 N/A THR 71.A N ASP 69.A OD1 no hydrogen 3.035 N/A THR 71.A OG1 ASP 69.A OD1 no hydrogen 2.615 N/A VAL 73.A N GLY 84.A O no hydrogen 3.074 N/A ILE 75.A N VAL 82.A O no hydrogen 3.031 N/A THR 76.A OG1 THR 81.A OG1 no hydrogen 2.945 N/A TYR 77.A N GLY 80.A O no hydrogen 2.683 N/A GLY 80.A N TYR 77.A O no hydrogen 2.909 N/A THR 81.A N ASP 110.A OD2 no hydrogen 2.845 N/A THR 81.A OG1 THR 76.A OG1 no hydrogen 2.945 N/A VAL 82.A N ILE 75.A O no hydrogen 3.090 N/A LYS 83.A N ASP 107.A O no hydrogen 3.005 N/A GLY 84.A N VAL 73.A O no hydrogen 3.145 N/A PHE 85.A N GLU 104.A O no hydrogen 3.128 N/A PHE 86.A N THR 71.A O no hydrogen 2.822 N/A SER 87.A N PHE 102.A O no hydrogen 2.863 N/A SER 87.A OG GLU 104.A OE1 no hydrogen 2.864 N/A LYS 88.A N GLU 67.A O no hydrogen 3.084 N/A LEU 90.A N ASP 89.A OD2 no hydrogen 2.542 N/A VAL 91.A N MET 98.A O no hydrogen 2.806 N/A THR 92.A N GLU 21.A O no hydrogen 2.677 N/A THR 92.A OG1 SER 97.A OG no hydrogen 2.974 N/A LEU 93.A N LEU 96.A O no hydrogen 2.905 N/A HIS 95.A N ASP 4.A OD1 no hydrogen 2.732 N/A LEU 96.A N LEU 93.A O no hydrogen 2.984 N/A SER 97.A OG VAL 91.A O no hydrogen 3.291 N/A SER 97.A OG THR 92.A OG1 no hydrogen 2.974 N/A MET 98.A N VAL 91.A O no hydrogen 2.844 N/A TYR 100.A N ASP 89.A O no hydrogen 2.861 N/A TYR 100.A OH ASP 137.A O no hydrogen 2.778 N/A LYS 101.A NZ GLY 134.A O no hydrogen 3.476 N/A PHE 102.A N SER 87.A O no hydrogen 2.857 N/A ILE 103.A N LEU 40.A O no hydrogen 2.906 N/A GLU 104.A N PHE 85.A O no hydrogen 2.906 N/A VAL 105.A N VAL 42.A O no hydrogen 3.134 N/A ILE 106.A N LYS 83.A O no hydrogen 2.766 N/A ASP 107.A N LYS 83.A O no hydrogen 3.162 N/A THR 108.A N SER 49.A OG no hydrogen 2.911 N/A ASP 109.A N ASP 107.A OD1 no hydrogen 3.332 N/A LEU 111.A N THR 108.A O no hydrogen 2.816 N/A GLU 112.A N ASP 109.A O no hydrogen 3.115 N/A TYR 115.A N LEU 111.A O no hydrogen 2.939 N/A TYR 115.A OH ASP 121.A O no hydrogen 2.787 N/A SER 116.A N GLU 112.A OE2 no hydrogen 3.119 N/A SER 116.A OG GLU 112.A OE1 no hydrogen 2.678 N/A SER 116.A OG GLU 112.A OE2 no hydrogen 3.424 N/A SER 117.A N PRO 113.A O no hydrogen 3.237 N/A SER 117.A OG PRO 113.A O no hydrogen 3.192 N/A SER 117.A OG ILE 114.A O no hydrogen 2.854 N/A VAL 118.A N ILE 114.A O no hydrogen 3.095 N/A ASP 121.A N MET 30.A O no hydrogen 2.653 N/A GLY 122.A N MET 30.A O no hydrogen 3.293 N/A ILE 123.A N TRP 41.A O no hydrogen 2.972 N/A LEU 124.A N ILE 32.A O no hydrogen 2.891 N/A GLY 125.A N ASN 39.A O no hydrogen 2.889 N/A LEU 126.A N ASP 34.A O no hydrogen 2.879 N/A GLY 127.A N SER 37.A O no hydrogen 2.677 N/A TRP 128.A N LEU 191.A O no hydrogen 3.078 N/A LEU 131.A N TRP 128.A O no hydrogen 2.951 N/A SER 132.A N LYS 129.A O no hydrogen 2.946 N/A SER 132.A OG LYS 129.A O no hydrogen 2.651 N/A ILE 133.A N ASN 39.A OD1 no hydrogen 2.879 N/A ILE 136.A N SER 132.A OG no hydrogen 3.067 N/A GLU 142.A N PRO 138.A O no hydrogen 2.883 N/A LEU 143.A N ILE 139.A O no hydrogen 2.725 N/A LYS 144.A N VAL 140.A O no hydrogen 3.082 N/A LYS 144.A NZ ILE 149.A O no hydrogen 3.449 N/A LYS 144.A NZ ASP 150.A O no hydrogen 2.853 N/A ASN 145.A N VAL 141.A O no hydrogen 3.044 N/A GLN 146.A N GLU 142.A O no hydrogen 2.914 N/A ASN 147.A N LYS 144.A O no hydrogen 2.860 N/A LYS 148.A N LEU 143.A O no hydrogen 2.988 N/A LYS 148.A NZ SER 97.A O no hydrogen 2.926 N/A ASN 151.A N GLY 171.A O no hydrogen 2.996 N/A ASN 151.A ND2 GLY 171.A O no hydrogen 3.195 N/A LEU 153.A N ASN 151.A O no hydrogen 2.836 N/A PHE 154.A N PHE 313.A O no hydrogen 3.049 N/A THR 155.A N THR 169.A O no hydrogen 2.728 N/A PHE 156.A N THR 311.A O no hydrogen 2.933 N/A TYR 157.A N TYR 167.A O no hydrogen 3.074 N/A TYR 157.A OH HIS 164.A NE2 no hydrogen 2.686 N/A TYR 157.A OH LYS 326.A O no hydrogen 2.775 N/A VAL 160.A N HIS 164.A O no hydrogen 3.017 N/A HIS 161.A N ASN 13.A OD1 no hydrogen 3.466 N/A VAL 163.A N VAL 160.A O no hydrogen 2.938 N/A HIS 164.A N VAL 160.A O no hydrogen 3.022 N/A GLY 166.A N LEU 8.A O no hydrogen 3.313 N/A TYR 167.A N TYR 157.A O no hydrogen 2.796 N/A LEU 168.A N ILE 6.A O no hydrogen 2.729 N/A THR 169.A N THR 155.A O no hydrogen 3.014 N/A ILE 170.A N ASP 4.A O no hydrogen 2.831 N/A GLY 171.A N LEU 153.A O no hydrogen 2.928 N/A PHE 177.A N GLU 174.A O no hydrogen 3.315 N/A GLU 179.A N ILE 324.A O no hydrogen 2.683 N/A THR 183.A N PHE 322.A O no hydrogen 2.984 N/A THR 183.A OG1 TYR 266.A OH no hydrogen 3.004 N/A GLU 185.A N VAL 320.A O no hydrogen 2.813 N/A LYS 186.A NZ GLU 318.A O no hydrogen 3.448 N/A LEU 187.A N GLU 318.A O no hydrogen 3.041 N/A ASN 188.A N GLN 194.A O no hydrogen 2.907 N/A ASN 188.A ND2 ASP 196.A OD1 no hydrogen 3.047 N/A ASN 188.A ND2 ASN 210.A OD1 no hydrogen 2.924 N/A HIS 189.A ND1 ASN 188.A OD1 no hydrogen 2.442 N/A TYR 192.A N GLN 194.A OE1 no hydrogen 3.311 N/A TRP 193.A NE1 LEU 126.A O no hydrogen 2.864 N/A GLN 194.A NE2 ASN 188.A OD1 no hydrogen 2.707 N/A GLN 194.A NE2 ASN 210.A OD1 no hydrogen 2.974 N/A ILE 195.A N VAL 211.A O no hydrogen 2.859 N/A LEU 197.A N ALA 209.A O no hydrogen 3.090 N/A ASP 198.A N LYS 260.A O no hydrogen 2.781 N/A VAL 199.A N MET 206.A O no hydrogen 2.904 N/A HIS 200.A N GLU 258.A O no hydrogen 2.722 N/A HIS 200.A ND1 THR 205.A OG1 no hydrogen 3.063 N/A PHE 201.A N GLN 204.A O no hydrogen 2.834 N/A GLN 204.A N PHE 201.A O no hydrogen 3.362 N/A GLN 204.A NE2 PHE 226.A O no hydrogen 2.774 N/A THR 205.A OG1 HIS 200.A ND1 no hydrogen 3.063 N/A THR 205.A OG1 LYS 203.A O no hydrogen 3.558 N/A MET 206.A N VAL 199.A O no hydrogen 2.966 N/A LYS 208.A N ASP 198.A OD1 no hydrogen 2.778 N/A ALA 209.A N LEU 197.A O no hydrogen 2.834 N/A ASN 210.A N ASN 297.A O no hydrogen 2.876 N/A ASN 210.A ND2 THR 298.A OG1 no hydrogen 2.860 N/A VAL 211.A N ILE 195.A O no hydrogen 2.797 N/A ILE 212.A N PHE 299.A O no hydrogen 2.780 N/A VAL 213.A N TRP 193.A O no hydrogen 2.890 N/A ASP 214.A N LEU 301.A O no hydrogen 3.019 N/A SER 215.A N THR 35.A OG1 no hydrogen 3.008 N/A SER 215.A OG PHE 33.A O no hydrogen 2.503 N/A GLY 216.A N ASP 214.A OD2 no hydrogen 2.610 N/A THR 217.A N ASP 214.A O no hydrogen 3.263 N/A THR 217.A OG1 ASP 214.A OD1 no hydrogen 2.778 N/A ILE 220.A N THR 288.A O no hydrogen 3.159 N/A THR 221.A N ILE 300.A O no hydrogen 2.924 N/A ALA 222.A N LEU 290.A O no hydrogen 3.222 N/A SER 224.A N ASP 293.A OD1 no hydrogen 2.834 N/A SER 224.A OG ASP 293.A OD2 no hydrogen 2.528 N/A LEU 227.A N PRO 223.A O no hydrogen 2.898 N/A ASN 228.A N SER 224.A O no hydrogen 2.724 N/A LYS 229.A N GLU 225.A O no hydrogen 3.363 N/A LYS 229.A NZ GLU 225.A O no hydrogen 3.509 N/A LYS 229.A NZ GLU 225.A OE1 no hydrogen 3.218 N/A PHE 230.A N PHE 226.A O no hydrogen 3.170 N/A PHE 231.A N LEU 227.A O no hydrogen 2.947 N/A ALA 232.A N ASN 228.A O no hydrogen 3.017 N/A ALA 232.A N LYS 229.A O no hydrogen 2.852 N/A LEU 234.A N PHE 231.A O no hydrogen 3.408 N/A VAL 236.A N PHE 231.A O no hydrogen 3.457 N/A ILE 237.A N VAL 246.A O no hydrogen 2.618 N/A LYS 238.A NZ VAL 239.A O no hydrogen 3.313 N/A LYS 238.A NZ LEU 242.A O no hydrogen 2.932 N/A VAL 239.A N PHE 244.A O no hydrogen 3.036 N/A LEU 242.A N VAL 239.A O no hydrogen 3.048 N/A PHE 244.A N LEU 242.A O no hydrogen 2.695 N/A VAL 246.A N ILE 237.A O no hydrogen 2.761 N/A THR 247.A N CYS 285.A O no hydrogen 3.033 N/A THR 247.A OG1 ASN 235.A O no hydrogen 2.695 N/A THR 248.A OG1 ASP 250.A OD1 no hydrogen 3.231 N/A CYS 249.A N THR 283.A O no hydrogen 2.931 N/A CYS 249.A SG ASP 282.A O no hydrogen 3.400 N/A CYS 249.A SG THR 283.A O no hydrogen 3.562 N/A ASN 251.A N THR 248.A O no hydrogen 3.163 N/A ASN 251.A ND2 LEU 234.A O no hydrogen 3.045 N/A ASN 251.A ND2 THR 247.A OG1 no hydrogen 3.147 N/A LYS 252.A NZ ASP 250.A O no hydrogen 3.127 N/A GLU 253.A N ASN 251.A OD1 no hydrogen 2.802 N/A LEU 257.A N LEU 268.A O no hydrogen 3.008 N/A GLU 258.A N HIS 200.A O no hydrogen 2.843 N/A PHE 259.A N TYR 266.A O no hydrogen 2.750 N/A LYS 260.A N ASP 198.A O no hydrogen 3.025 N/A LYS 260.A NZ THR 265.A OG1 no hydrogen 2.775 N/A SER 261.A N ASN 264.A O no hydrogen 2.768 N/A SER 261.A OG GLU 185.A OE1 no hydrogen 2.758 N/A SER 261.A OG GLU 185.A OE2 no hydrogen 3.035 N/A SER 261.A OG ASN 264.A O no hydrogen 3.405 N/A ASN 264.A N SER 261.A OG no hydrogen 3.052 N/A ASN 264.A ND2 GLU 185.A OE1 no hydrogen 2.835 N/A TYR 266.A N PHE 259.A O no hydrogen 2.805 N/A TYR 266.A OH THR 183.A OG1 no hydrogen 3.004 N/A TYR 266.A OH GLU 185.A OE1 no hydrogen 2.604 N/A THR 267.A N TYR 309.A OH no hydrogen 2.884 N/A THR 267.A OG1 GLU 269.A OE2 no hydrogen 3.327 N/A LEU 268.A N LEU 257.A O no hydrogen 2.938 N/A TYR 272.A N GLU 269.A O no hydrogen 2.848 N/A TYR 273.A N PRO 270.A O no hydrogen 2.920 N/A TYR 273.A OH PRO 255.A O no hydrogen 2.642 N/A ASN 275.A N MET 286.A O no hydrogen 2.965 N/A ILE 277.A N LEU 284.A O no hydrogen 3.080 N/A THR 283.A N ASP 281.A OD2 no hydrogen 3.198 N/A CYS 285.A N THR 247.A O no hydrogen 2.704 N/A MET 286.A N ASN 275.A O no hydrogen 2.554 N/A ILE 287.A N TYR 245.A O no hydrogen 2.729 N/A THR 288.A N TYR 273.A O no hydrogen 2.705 N/A THR 288.A OG1 TYR 273.A O no hydrogen 3.531 N/A MET 289.A N ILE 287.A O no hydrogen 2.828 N/A LEU 290.A N ILE 220.A O no hydrogen 2.981 N/A VAL 292.A N ALA 222.A O no hydrogen 2.965 N/A ASN 297.A N ASP 295.A OD1 no hydrogen 2.945 N/A ASN 297.A ND2 LYS 208.A O no hydrogen 3.280 N/A THR 298.A OG1 ASP 295.A OD1 no hydrogen 2.656 N/A THR 298.A OG1 ASP 295.A OD2 no hydrogen 2.866 N/A PHE 299.A N ASN 210.A O no hydrogen 2.811 N/A ILE 300.A N THR 221.A O no hydrogen 3.240 N/A LEU 301.A N ILE 212.A O no hydrogen 2.753 N/A ASP 303.A N THR 217.A O no hydrogen 2.738 N/A PHE 305.A N GLY 302.A O no hydrogen 3.206 N/A MET 306.A N GLY 302.A O no hydrogen 3.164 N/A ARG 307.A N ASP 303.A O no hydrogen 2.798 N/A LYS 308.A N PHE 305.A O no hydrogen 3.122 N/A LYS 308.A NZ THR 267.A O no hydrogen 2.873 N/A LYS 308.A NZ GLU 269.A OE1 no hydrogen 2.785 N/A LYS 308.A NZ GLU 269.A OE2 no hydrogen 3.321 N/A LYS 308.A NZ TYR 309.A OH no hydrogen 3.513 N/A TYR 309.A N PHE 305.A O no hydrogen 3.154 N/A TYR 309.A OH THR 267.A O no hydrogen 3.272 N/A PHE 310.A N ALA 323.A O no hydrogen 2.541 N/A THR 311.A N PHE 156.A O no hydrogen 3.337 N/A VAL 312.A N GLY 321.A O no hydrogen 2.899 N/A PHE 313.A N PHE 154.A O no hydrogen 2.856 N/A ASP 314.A N SER 319.A O no hydrogen 3.058 N/A TYR 315.A N ALA 152.A O no hydrogen 3.011 N/A TYR 315.A OH GLY 127.A O no hydrogen 2.976 N/A LYS 317.A N ASP 314.A OD1 no hydrogen 2.682 N/A GLU 318.A N TYR 315.A O no hydrogen 2.963 N/A SER 319.A N ASP 314.A O no hydrogen 3.131 N/A SER 319.A OG LYS 317.A O no hydrogen 2.649 N/A VAL 320.A N GLU 185.A O no hydrogen 2.962 N/A GLY 321.A N VAL 312.A O no hydrogen 2.626 N/A PHE 322.A N THR 183.A O no hydrogen 2.735 N/A ALA 323.A N PHE 310.A O no hydrogen 3.219 N/A ALA 325.A N LYS 308.A O no hydrogen 2.951 N/A LYS 326.A N PHE 177.A O no hydrogen 2.851 N/A ASN 327.A ND2 TYR 157.A OH no hydrogen 3.174 N/A ASN 327.A ND2 LYS 326.A O no hydrogen 3.198 N/A