Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kgq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLU 26.A OE2 no hydrogen 2.960 N/A THR 2.A OG1 GLU 26.A OE1 no hydrogen 2.378 N/A ASN 3.A N SER 1.A OG no hydrogen 3.125 N/A THR 4.A OG1 SER 1.A O no hydrogen 3.512 N/A PHE 5.A N SER 1.A O no hydrogen 3.100 N/A TYR 7.A OH THR 2.A O no hydrogen 2.602 N/A ALA 8.A N ASN 6.A OD1 no hydrogen 2.873 N/A TYR 10.A OH LEU 279.A O no hydrogen 2.713 N/A HIS 11.A ND1 GLU 15.A OE1 no hydrogen 2.818 N/A HIS 11.A NE2 ASN 6.A O no hydrogen 2.646 N/A THR 12.A N GLU 15.A OE1 no hydrogen 3.082 N/A GLU 15.A N THR 12.A OG1 no hydrogen 3.210 N/A ILE 16.A N THR 12.A O no hydrogen 3.042 N/A TYR 17.A N LEU 13.A O no hydrogen 2.884 N/A TYR 17.A OH PRO 44.A O no hydrogen 2.625 N/A ASP 18.A N ASP 14.A O no hydrogen 2.808 N/A PHE 19.A N GLU 15.A O no hydrogen 2.931 N/A MET 20.A N ILE 16.A O no hydrogen 3.010 N/A ASP 21.A N TYR 17.A O no hydrogen 3.246 N/A LEU 22.A N ASP 18.A O no hydrogen 3.048 N/A LEU 23.A N PHE 19.A O no hydrogen 2.970 N/A VAL 24.A N MET 20.A O no hydrogen 2.998 N/A ALA 25.A N ASP 21.A O no hydrogen 2.903 N/A GLU 26.A N LEU 22.A O no hydrogen 2.882 N/A HIS 27.A N LEU 23.A O no hydrogen 2.905 N/A LEU 30.A N HIS 27.A O no hydrogen 3.075 N/A VAL 31.A N HIS 27.A O no hydrogen 2.921 N/A SER 32.A N LYS 49.A O no hydrogen 2.987 N/A LYS 33.A NZ ASP 21.A OD1 no hydrogen 2.684 N/A LEU 34.A N VAL 47.A O no hydrogen 2.760 N/A ILE 36.A N ILE 45.A O no hydrogen 2.942 N/A ARG 38.A NE GLN 35.A OE1 no hydrogen 2.991 N/A ARG 38.A NH1 GLY 42.A O no hydrogen 2.916 N/A SER 39.A N ARG 43.A O no hydrogen 2.714 N/A SER 39.A OG ARG 43.A O no hydrogen 3.429 N/A SER 39.A OG ASP 112.A OD1 no hydrogen 2.585 N/A SER 39.A OG ASP 112.A OD2 no hydrogen 3.214 N/A TYR 40.A N GLU 173.A OE2 no hydrogen 3.076 N/A GLU 41.A N ASP 112.A OD2 no hydrogen 2.822 N/A GLY 42.A N SER 39.A O no hydrogen 2.863 N/A ARG 43.A N SER 39.A OG no hydrogen 2.854 N/A ARG 43.A NH1 GLU 41.A OE1 no hydrogen 2.746 N/A ARG 43.A NH1 ASP 112.A OD1 no hydrogen 2.870 N/A ILE 45.A N GLY 37.A O no hydrogen 2.915 N/A VAL 47.A N LEU 34.A O no hydrogen 2.759 N/A LEU 48.A N LEU 105.A O no hydrogen 2.820 N/A LYS 49.A N SER 32.A O no hydrogen 2.871 N/A PHE 50.A N ILE 103.A O no hydrogen 2.769 N/A SER 51.A N LEU 30.A O no hydrogen 2.867 N/A SER 51.A OG ASP 102.A OD1 no hydrogen 2.711 N/A THR 52.A OG1 LEU 98.A O no hydrogen 2.789 N/A GLY 53.A N SER 51.A OG no hydrogen 3.156 N/A ALA 59.A N ASN 186.A O no hydrogen 2.973 N/A ILE 60.A N ASP 102.A O no hydrogen 2.811 N/A TRP 61.A N ALA 189.A O no hydrogen 2.798 N/A TRP 61.A NE1 ASP 63.A OD2 no hydrogen 3.007 N/A ILE 62.A N PHE 104.A O no hydrogen 2.835 N/A ASP 63.A N LEU 191.A O no hydrogen 2.935 N/A LEU 64.A N GLU 106.A O no hydrogen 2.812 N/A HIS 67.A NE2 ASP 140.A OD1 no hydrogen 2.581 N/A SER 68.A N ARG 125.A O no hydrogen 3.447 N/A SER 68.A OG TRP 124.A O no hydrogen 2.697 N/A ARG 69.A NH1 LEU 123.A O no hydrogen 2.797 N/A ARG 69.A NH1 GLU 161.A OE1 no hydrogen 3.015 N/A ARG 69.A NH2 GLU 161.A OE1 no hydrogen 3.548 N/A ARG 69.A NH2 GLU 161.A OE2 no hydrogen 3.007 N/A GLU 70.A N HIS 67.A O no hydrogen 3.133 N/A TRP 71.A NE1 THR 117.A OG1 no hydrogen 2.937 N/A THR 73.A N GLU 70.A O no hydrogen 2.880 N/A THR 73.A OG1 GLU 70.A O no hydrogen 2.713 N/A THR 73.A OG1 GLN 74.A OE1 no hydrogen 3.395 N/A GLN 74.A N GLN 74.A OE1 no hydrogen 2.816 N/A GLN 74.A NE2 SER 68.A O no hydrogen 3.352 N/A ALA 75.A N TRP 71.A O no hydrogen 3.195 N/A THR 76.A N ILE 72.A O no hydrogen 2.875 N/A THR 76.A OG1 ILE 72.A O no hydrogen 2.787 N/A GLY 77.A N THR 73.A O no hydrogen 2.875 N/A VAL 78.A N GLN 74.A O no hydrogen 3.073 N/A TRP 79.A N ALA 75.A O no hydrogen 3.261 N/A PHE 80.A N THR 76.A O no hydrogen 2.798 N/A ALA 81.A N GLY 77.A O no hydrogen 2.928 N/A LYS 82.A N VAL 78.A O no hydrogen 3.250 N/A LYS 82.A NZ THR 2.A OG1 no hydrogen 2.939 N/A LYS 83.A N TRP 79.A O no hydrogen 2.899 N/A LYS 83.A NZ ASP 87.A OD1 no hydrogen 3.500 N/A PHE 84.A N PHE 80.A O no hydrogen 2.896 N/A THR 85.A OG1 LYS 82.A O no hydrogen 2.740 N/A GLU 86.A N LYS 82.A O no hydrogen 3.046 N/A ASP 87.A N LYS 83.A O no hydrogen 2.885 N/A TYR 88.A N PHE 84.A O no hydrogen 3.183 N/A TYR 88.A OH ASP 99.A OD1 no hydrogen 2.639 N/A GLY 89.A N THR 95.A OG1 no hydrogen 2.785 N/A GLN 90.A N ASP 87.A O no hydrogen 2.973 N/A ASP 91.A N ASP 87.A O no hydrogen 2.866 N/A SER 93.A OG GLU 300.A OE2 no hydrogen 2.495 N/A PHE 94.A N ASP 91.A OD2 no hydrogen 2.953 N/A THR 95.A N ASP 91.A O no hydrogen 2.858 N/A THR 95.A OG1 ASP 91.A O no hydrogen 2.713 N/A ALA 96.A N PRO 92.A O no hydrogen 3.046 N/A ILE 97.A N SER 93.A O no hydrogen 3.083 N/A LEU 98.A N PHE 94.A O no hydrogen 2.977 N/A ASP 99.A N THR 95.A O no hydrogen 2.880 N/A SER 100.A N ILE 97.A O no hydrogen 3.143 N/A SER 100.A OG.A ALA 96.A O no hydrogen 3.533 N/A SER 100.A OG.B ALA 96.A O no hydrogen 2.811 N/A MET 101.A N ILE 97.A O no hydrogen 2.755 N/A ASP 102.A N PRO 58.A O no hydrogen 3.030 N/A ILE 103.A N PHE 50.A O no hydrogen 3.013 N/A PHE 104.A N ILE 60.A O no hydrogen 2.793 N/A LEU 105.A N LEU 48.A O no hydrogen 2.832 N/A GLU 106.A N ILE 62.A O no hydrogen 2.788 N/A THR 109.A N LEU 64.A O no hydrogen 2.996 N/A THR 109.A OG1 LEU 64.A O no hydrogen 2.706 N/A THR 109.A OG1 GLU 106.A O no hydrogen 3.473 N/A PHE 114.A N ASN 110.A O no hydrogen 3.020 N/A ALA 115.A N PRO 111.A O no hydrogen 2.971 N/A PHE 116.A N ASP 112.A O no hydrogen 2.998 N/A THR 117.A N GLY 113.A O no hydrogen 2.867 N/A THR 117.A OG1 PHE 114.A O no hydrogen 2.608 N/A HIS 118.A N ALA 115.A O no hydrogen 3.068 N/A HIS 118.A ND1 PHE 114.A O no hydrogen 2.962 N/A SER 119.A N ALA 115.A O no hydrogen 3.021 N/A SER 119.A OG ALA 115.A O no hydrogen 3.298 N/A GLN 120.A N PHE 116.A O no hydrogen 2.953 N/A ASN 121.A N PHE 116.A O no hydrogen 2.983 N/A ARG 122.A NH1 ARG 69.A O no hydrogen 2.870 N/A ARG 122.A NH1 ARG 122.A O no hydrogen 2.950 N/A ARG 122.A NH2 PHE 277.A O no hydrogen 2.896 N/A LEU 123.A N ASN 121.A OD1 no hydrogen 3.024 N/A TRP 124.A N ASN 121.A O no hydrogen 3.093 N/A TRP 124.A NE1 THR 127.A O no hydrogen 2.954 N/A ARG 125.A NE ASP 140.A OD2 no hydrogen 3.025 N/A ARG 125.A NE GLU 161.A O no hydrogen 3.175 N/A ARG 125.A NH2 ASP 140.A OD2 no hydrogen 2.714 N/A LYS 126.A NZ VAL 137.A O no hydrogen 3.342 N/A LYS 126.A NZ GLY 138.A O no hydrogen 3.089 N/A LYS 126.A NZ SER 160.A O no hydrogen 2.811 N/A THR 127.A N VAL 139.A O no hydrogen 2.885 N/A THR 127.A OG1 SER 129.A OG no hydrogen 3.425 N/A THR 127.A OG1 VAL 139.A O no hydrogen 3.406 N/A THR 127.A OG1 GLU 171.A OE1 no hydrogen 2.744 N/A SER 129.A OG THR 127.A OG1 no hydrogen 3.425 N/A SER 129.A OG GLU 171.A OE1 no hydrogen 2.676 N/A CYS 136.A N SER 134.A OG no hydrogen 2.908 N/A GLY 138.A N SER 129.A O no hydrogen 2.767 N/A VAL 139.A N THR 127.A OG1 no hydrogen 3.015 N/A ASP 140.A N TYR 163.A O no hydrogen 2.775 N/A ASN 142.A N ASP 140.A OD1 no hydrogen 2.915 N/A ARG 143.A N ASP 140.A O no hydrogen 2.964 N/A ARG 143.A NE GLY 153.A O no hydrogen 2.893 N/A ARG 143.A NH1 ASN 142.A O no hydrogen 3.088 N/A ASN 144.A ND2 HIS 164.A O no hydrogen 2.877 N/A ASN 144.A ND2 TYR 167.A O no hydrogen 3.236 N/A ASN 144.A ND2 SER 170.A OG no hydrogen 3.060 N/A TRP 145.A N GLY 250.A O no hydrogen 2.840 N/A ALA 147.A N TRP 145.A O no hydrogen 2.865 N/A LYS 151.A N GLY 148.A O no hydrogen 3.164 N/A SER 155.A N THR 162.A O no hydrogen 3.002 N/A SER 157.A N SER 155.A OG no hydrogen 2.864 N/A SER 160.A N SER 157.A O no hydrogen 2.963 N/A SER 160.A OG THR 162.A OG1 no hydrogen 3.249 N/A THR 162.A N SER 160.A OG no hydrogen 3.080 N/A THR 162.A OG1 SER 160.A OG no hydrogen 3.249 N/A TYR 163.A N SER 160.A O no hydrogen 3.298 N/A HIS 164.A N SER 155.A O no hydrogen 2.991 N/A HIS 164.A ND1 GLY 165.A O no hydrogen 2.608 N/A ASN 169.A N ASN 144.A O no hydrogen 2.733 N/A SER 170.A N TYR 167.A O no hydrogen 3.037 N/A SER 170.A OG TYR 167.A O no hydrogen 3.281 N/A SER 170.A OG GLU 171.A OE2 no hydrogen 2.790 N/A GLU 171.A N ASN 144.A OD1 no hydrogen 2.985 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.816 N/A VAL 174.A N GLU 171.A O no hydrogen 2.867 N/A LYS 175.A N GLU 171.A O no hydrogen 2.906 N/A LYS 175.A NZ ASP 179.A OD1 no hydrogen 2.769 N/A LYS 175.A NZ ASP 179.A OD2 no hydrogen 3.261 N/A SER 176.A N VAL 172.A O no hydrogen 2.857 N/A SER 176.A OG VAL 172.A O no hydrogen 2.621 N/A VAL 178.A N VAL 174.A O no hydrogen 3.006 N/A ASP 179.A N LYS 175.A O no hydrogen 2.882 N/A PHE 180.A N SER 176.A O no hydrogen 3.137 N/A VAL 181.A N ILE 177.A O no hydrogen 2.836 N/A LYS 182.A N VAL 178.A O no hydrogen 2.877 N/A ASP 183.A N ASP 179.A O no hydrogen 2.828 N/A HIS 184.A N PHE 180.A O no hydrogen 2.922 N/A GLY 185.A N VAL 181.A O no hydrogen 2.963 N/A ASN 186.A N HIS 184.A ND1 no hydrogen 3.156 N/A ASN 186.A ND2 ASN 56.A O no hydrogen 3.312 N/A LYS 188.A N ALA 59.A O no hydrogen 2.762 N/A ALA 189.A N ALA 59.A O no hydrogen 3.417 N/A PHE 190.A N TYR 263.A O no hydrogen 3.020 N/A LEU 191.A N TRP 61.A O no hydrogen 2.698 N/A SER 192.A N PHE 265.A O no hydrogen 2.920 N/A SER 192.A OG ASP 63.A OD1 no hydrogen 3.438 N/A SER 192.A OG ASP 63.A OD2 no hydrogen 2.749 N/A SER 192.A OG SER 252.A OG no hydrogen 2.699 N/A ILE 193.A N ASP 63.A O no hydrogen 2.778 N/A HIS 194.A N PHE 267.A O no hydrogen 2.792 N/A SER 195.A N GLU 70.A OE1 no hydrogen 3.014 N/A SER 197.A N LEU 269.A O no hydrogen 3.094 N/A SER 197.A OG.A TYR 196.A O no hydrogen 2.609 N/A SER 197.A OG.B TYR 196.A O no hydrogen 2.625 N/A GLN 198.A N LEU 269.A O no hydrogen 3.293 N/A GLN 198.A NE2 SER 235.A O no hydrogen 3.003 N/A LEU 199.A N GLU 268.A O no hydrogen 3.015 N/A LEU 200.A N LYS 237.A O no hydrogen 2.886 N/A LEU 201.A N THR 266.A O no hydrogen 2.805 N/A TYR 202.A N GLY 239.A O no hydrogen 3.046 N/A TYR 204.A OH ASN 258.A OD1 no hydrogen 2.686 N/A GLY 205.A N ASP 254.A OD1 no hydrogen 3.155 N/A GLY 205.A N ASP 254.A OD2 no hydrogen 2.795 N/A TYR 206.A N ASP 254.A OD2 no hydrogen 3.132 N/A GLN 209.A N THR 207.A OG1 no hydrogen 3.220 N/A GLN 209.A NE2 SER 210.A O no hydrogen 3.079 N/A LYS 214.A N ILE 211.A O no hydrogen 3.118 N/A LEU 217.A N ASP 213.A O no hydrogen 2.860 N/A ASN 218.A N LYS 214.A O no hydrogen 2.793 N/A ASN 218.A ND2 TYR 202.A OH no hydrogen 2.680 N/A GLN 219.A N THR 215.A O no hydrogen 3.092 N/A VAL 220.A N GLU 216.A O no hydrogen 2.877 N/A ALA 221.A N LEU 217.A O no hydrogen 2.874 N/A LYS 222.A N ASN 218.A O no hydrogen 2.838 N/A LYS 222.A NZ GLU 226.A OE2 no hydrogen 2.772 N/A SER 223.A N GLN 219.A O no hydrogen 2.888 N/A SER 223.A OG GLN 219.A O no hydrogen 3.024 N/A ALA 224.A N VAL 220.A O no hydrogen 2.815 N/A VAL 225.A N ALA 221.A O no hydrogen 2.938 N/A GLU 226.A N LYS 222.A O no hydrogen 3.096 N/A ALA 227.A N SER 223.A O no hydrogen 2.978 N/A LEU 228.A N ALA 224.A O no hydrogen 2.868 N/A LYS 229.A N VAL 225.A O no hydrogen 2.837 N/A SER 230.A N GLU 226.A O no hydrogen 3.206 N/A SER 230.A N ALA 227.A O no hydrogen 3.258 N/A SER 230.A OG ALA 227.A O no hydrogen 2.641 N/A LEU 231.A N LEU 228.A O no hydrogen 3.516 N/A TYR 232.A OH GLN 289.A OE1 no hydrogen 2.448 N/A GLY 233.A N LYS 229.A O no hydrogen 2.814 N/A THR 234.A OG1 GLU 290.A OE1 no hydrogen 2.606 N/A THR 234.A OG1 GLU 290.A OE2 no hydrogen 3.360 N/A LYS 237.A N GLN 198.A O no hydrogen 3.091 N/A GLY 239.A N LEU 200.A O no hydrogen 3.176 N/A SER 240.A OG THR 243.A OG1 no hydrogen 2.797 N/A ILE 241.A N TYR 202.A O no hydrogen 2.924 N/A ILE 242.A N TYR 204.A O no hydrogen 3.060 N/A THR 243.A N SER 240.A OG no hydrogen 3.344 N/A THR 243.A OG1 SER 240.A O no hydrogen 3.185 N/A THR 243.A OG1 SER 240.A OG no hydrogen 2.797 N/A THR 243.A OG1 THR 244.A OG1 no hydrogen 3.213 N/A THR 244.A N ILE 241.A O no hydrogen 3.185 N/A THR 244.A OG1 SER 240.A O no hydrogen 2.863 N/A THR 244.A OG1 THR 243.A OG1 no hydrogen 3.213 N/A ILE 245.A N ILE 241.A O no hydrogen 2.896 N/A TYR 246.A N ILE 241.A O no hydrogen 3.206 N/A GLN 247.A NE2 TYR 206.A O no hydrogen 3.326 N/A ALA 248.A N GLY 205.A O no hydrogen 3.043 N/A SER 249.A N GLY 153.A O no hydrogen 3.096 N/A SER 249.A OG LYS 151.A O no hydrogen 2.655 N/A SER 249.A OG ALA 152.A O no hydrogen 3.543 N/A GLY 250.A N ALA 147.A O no hydrogen 2.910 N/A SER 252.A N ASN 142.A OD1 no hydrogen 2.924 N/A SER 252.A OG ASN 142.A OD1 no hydrogen 3.346 N/A SER 252.A OG SER 192.A OG no hydrogen 2.699 N/A TRP 255.A N GLY 251.A O no hydrogen 3.237 N/A SER 256.A N SER 252.A O no hydrogen 2.874 N/A SER 256.A OG SER 252.A O no hydrogen 3.501 N/A SER 256.A OG ILE 253.A O no hydrogen 3.158 N/A SER 256.A OG SER 264.A OG no hydrogen 2.641 N/A TYR 257.A N ILE 253.A O no hydrogen 2.944 N/A TYR 257.A OH ASP 213.A OD2 no hydrogen 2.588 N/A ASN 258.A N ASP 254.A O no hydrogen 3.098 N/A GLN 259.A N SER 256.A O no hydrogen 2.967 N/A GLN 259.A NE2.B TRP 255.A O no hydrogen 2.765 N/A GLY 260.A N TYR 257.A O no hydrogen 2.851 N/A ILE 261.A N SER 256.A O no hydrogen 3.095 N/A LYS 262.A NZ GLU 216.A OE1 no hydrogen 2.801 N/A TYR 263.A OH GLU 216.A OE2 no hydrogen 2.602 N/A SER 264.A N LYS 262.A O no hydrogen 2.959 N/A SER 264.A OG SER 256.A OG no hydrogen 2.641 N/A SER 264.A OG ILE 261.A O no hydrogen 2.766 N/A PHE 265.A N PHE 190.A O no hydrogen 3.075 N/A THR 266.A N LEU 201.A O no hydrogen 2.808 N/A PHE 267.A N SER 192.A O no hydrogen 2.935 N/A GLU 268.A N LEU 199.A O no hydrogen 2.817 N/A LEU 269.A N HIS 194.A O no hydrogen 2.820 N/A ARG 270.A NE GLU 290.A OE2 no hydrogen 2.735 N/A ARG 270.A NH2 GLU 290.A OE1 no hydrogen 2.930 N/A GLY 273.A N ASP 271.A OD1 no hydrogen 2.870 N/A TYR 275.A N ASP 271.A OD2 no hydrogen 2.792 N/A GLY 276.A N ASP 271.A OD1 no hydrogen 2.897 N/A LEU 278.A N TYR 275.A O no hydrogen 3.052 N/A SER 282.A OG GLN 283.A OE1 no hydrogen 3.046 N/A GLN 283.A N PRO 280.A O no hydrogen 2.936 N/A ILE 284.A N ALA 281.A O no hydrogen 3.053 N/A THR 287.A N GLN 283.A O no hydrogen 3.024 N/A THR 287.A OG1 GLN 283.A O no hydrogen 2.723 N/A ALA 288.A N ILE 284.A O no hydrogen 2.866 N/A GLN 289.A N ILE 285.A O no hydrogen 2.856 N/A GLU 290.A N PRO 286.A O no hydrogen 3.168 N/A THR 291.A N THR 287.A O no hydrogen 2.909 N/A THR 291.A OG1 THR 287.A O no hydrogen 2.600 N/A TRP 292.A N ALA 288.A O no hydrogen 2.835 N/A LEU 293.A N GLN 289.A O no hydrogen 3.464 N/A GLY 294.A N GLU 290.A O no hydrogen 3.392 N/A VAL 295.A N THR 291.A O no hydrogen 2.941 N/A LEU 296.A N TRP 292.A O no hydrogen 2.782 N/A THR 297.A N LEU 293.A O no hydrogen 3.142 N/A THR 297.A OG1 LEU 293.A O no hydrogen 2.817 N/A ILE 298.A N GLY 294.A O no hydrogen 3.144 N/A MET 299.A N VAL 295.A O no hydrogen 2.914 N/A GLU 300.A N LEU 296.A O no hydrogen 2.861 N/A HIS 301.A N THR 297.A O no hydrogen 3.213 N/A THR 302.A N ILE 298.A O no hydrogen 2.938 N/A THR 302.A OG1 ILE 298.A O no hydrogen 2.848 N/A LEU 303.A N MET 299.A O no hydrogen 2.913 N/A