Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rkx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ ASP 5.A OD2 no hydrogen 3.485 N/A ASP 5.A N LYS 1.A O no hydrogen 3.291 N/A VAL 6.A N TYR 2.A O no hydrogen 3.043 N/A LEU 7.A N SER 3.A O no hydrogen 3.010 N/A GLN 8.A N GLN 4.A O no hydrogen 2.725 N/A LEU 9.A N ASP 5.A O no hydrogen 2.955 N/A LEU 10.A N VAL 6.A O no hydrogen 2.797 N/A TYR 11.A N LEU 7.A O no hydrogen 2.795 N/A LYS 12.A N GLN 8.A O no hydrogen 2.892 N/A ASN 13.A N LEU 9.A O no hydrogen 3.035 N/A ASN 13.A ND2 LEU 9.A O no hydrogen 2.947 N/A LYS 14.A N TYR 11.A O no hydrogen 3.160 N/A ASN 16.A N ASN 13.A O no hydrogen 2.761 N/A ASN 16.A ND2 ASN 13.A O no hydrogen 2.975 N/A TYR 17.A OH ASP 49.A OD2 no hydrogen 2.518 N/A ILE 18.A N HIS 56.A O no hydrogen 3.059 N/A SER 22.A N SER 19.A OG no hydrogen 2.799 N/A ILE 23.A N SER 19.A O no hydrogen 3.041 N/A ALA 24.A N GLY 20.A O no hydrogen 2.806 N/A GLU 25.A N GLN 21.A O no hydrogen 2.774 N/A SER 26.A N SER 22.A O no hydrogen 2.678 N/A SER 26.A OG SER 22.A O no hydrogen 3.040 N/A LEU 27.A N ILE 23.A O no hydrogen 2.848 N/A ILE 29.A N ALA 24.A O no hydrogen 2.987 N/A ARG 31.A NH1 GLN 21.A OE1 no hydrogen 2.825 N/A ALA 33.A N SER 30.A OG no hydrogen 3.171 N/A VAL 34.A N SER 30.A O no hydrogen 3.229 N/A LYS 35.A N ARG 31.A O no hydrogen 3.228 N/A LYS 36.A N THR 32.A O no hydrogen 2.986 N/A VAL 37.A N ALA 33.A O no hydrogen 2.840 N/A ILE 38.A N VAL 34.A O no hydrogen 2.843 N/A ASP 39.A N LYS 35.A O no hydrogen 3.179 N/A GLN 40.A N LYS 36.A O no hydrogen 2.854 N/A LEU 41.A N VAL 37.A O no hydrogen 2.927 N/A LYS 42.A N ILE 38.A O no hydrogen 3.050 N/A LYS 42.A NZ SER 50.A OG no hydrogen 2.817 N/A LEU 43.A N ASP 39.A O no hydrogen 2.743 N/A GLU 44.A N GLN 40.A O no hydrogen 2.983 N/A GLY 45.A N LYS 42.A O no hydrogen 2.867 N/A CYS 46.A N LEU 41.A O no hydrogen 2.986 N/A CYS 46.A SG TYR 66.A OH no hydrogen 3.549 N/A LYS 47.A N GLN 60.A O no hydrogen 2.918 N/A ASP 49.A N LEU 57.A O no hydrogen 2.748 N/A SER 50.A OG HIS 56.A ND1 no hydrogen 2.698 N/A VAL 51.A N GLY 55.A O no hydrogen 3.079 N/A LYS 54.A N VAL 51.A O no hydrogen 3.066 N/A GLY 55.A N VAL 51.A O no hydrogen 3.054 N/A HIS 56.A N ILE 18.A O no hydrogen 2.747 N/A HIS 56.A ND1 SER 50.A OG no hydrogen 2.698 N/A LEU 57.A N ASP 49.A O no hydrogen 2.832 N/A GLN 59.A N LYS 47.A O no hydrogen 2.679 N/A ILE 64.A N PRO 62.A O no hydrogen 2.833 N/A TRP 65.A N ASP 112.A OD1 no hydrogen 2.807 N/A TRP 65.A N ASP 112.A OD2 no hydrogen 3.337 N/A TYR 66.A N TYR 228.A OH no hydrogen 2.832 N/A TYR 66.A OH GLU 44.A OE1 no hydrogen 2.872 N/A GLN 67.A NE2 GLN 67.A O no hydrogen 3.135 N/A GLN 67.A NE2 ASP 71.A OD1 no hydrogen 2.589 N/A GLN 67.A NE2 SER 83.A O no hydrogen 3.152 N/A GLY 68.A N GLN 4.A OE1 no hydrogen 3.068 N/A ILE 69.A N TYR 66.A O no hydrogen 3.149 N/A ILE 70.A N TYR 66.A O no hydrogen 3.050 N/A ASP 71.A N GLN 67.A O no hydrogen 2.948 N/A GLN 72.A N ILE 69.A O no hydrogen 3.097 N/A TYR 73.A N ILE 70.A O no hydrogen 2.847 N/A THR 74.A N ILE 70.A O no hydrogen 3.281 N/A THR 74.A OG1 ASP 71.A O no hydrogen 3.234 N/A LYS 75.A N ASP 71.A O no hydrogen 3.020 N/A LYS 75.A NZ GLN 8.A OE1 no hydrogen 3.067 N/A LYS 75.A NZ GLN 72.A OE1 no hydrogen 2.798 N/A SER 76.A OG TYR 73.A O no hydrogen 3.056 N/A SER 77.A N THR 74.A O no hydrogen 3.259 N/A LEU 79.A N SER 77.A OG no hydrogen 3.021 N/A PHE 80.A N SER 77.A OG no hydrogen 2.952 N/A ASP 81.A N SER 106.A O no hydrogen 2.735 N/A GLU 84.A N PHE 108.A O no hydrogen 2.850 N/A VAL 85.A N GLN 67.A OE1 no hydrogen 2.975 N/A TYR 86.A N LEU 110.A O no hydrogen 2.848 N/A TYR 86.A OH GLU 84.A OE2 no hydrogen 2.616 N/A ILE 89.A N GLU 113.A O no hydrogen 3.360 N/A THR 92.A N GLN 114.A OE1 no hydrogen 2.986 N/A THR 92.A OG1 GLN 114.A OE1 no hydrogen 3.200 N/A THR 92.A OG1 SER 124.A OG no hydrogen 2.572 N/A GLN 93.A NE2 GLU 180.A OE1 no hydrogen 2.856 N/A GLN 93.A NE2 ILE 192.A O no hydrogen 3.379 N/A LEU 94.A N SER 91.A OG no hydrogen 2.763 N/A ALA 95.A N SER 91.A O no hydrogen 3.184 N/A ALA 96.A N THR 92.A O no hydrogen 2.810 N/A LYS 97.A N GLN 93.A O no hydrogen 2.824 N/A LYS 97.A NZ GLU 180.A OE1 no hydrogen 3.051 N/A LYS 97.A NZ GLU 180.A OE2 no hydrogen 2.663 N/A LYS 98.A N LEU 94.A O no hydrogen 3.000 N/A SER 99.A N ALA 95.A O no hydrogen 2.945 N/A SER 99.A OG GLU 84.A OE2 no hydrogen 3.504 N/A SER 99.A OG ALA 95.A O no hydrogen 2.904 N/A LEU 100.A N ALA 96.A O no hydrogen 3.142 N/A ASN 103.A ND2 SER 99.A O no hydrogen 2.811 N/A ASN 103.A ND2 VAL 101.A O no hydrogen 3.219 N/A SER 105.A N ASN 103.A OD1 no hydrogen 2.949 N/A SER 105.A OG ASN 103.A OD1 no hydrogen 3.272 N/A SER 106.A N ASP 81.A OD2 no hydrogen 2.969 N/A PHE 107.A N VAL 126.A O no hydrogen 3.139 N/A PHE 108.A N PHE 82.A O no hydrogen 3.361 N/A ILE 109.A N SER 124.A O no hydrogen 2.800 N/A LEU 110.A N GLU 84.A O no hydrogen 2.834 N/A SER 111.A N TRP 122.A O no hydrogen 3.050 N/A SER 111.A OG GLU 113.A O no hydrogen 3.017 N/A ASP 112.A N TYR 86.A O no hydrogen 3.176 N/A GLU 113.A N ASP 87.A O no hydrogen 3.116 N/A THR 115.A N ILE 89.A O no hydrogen 3.102 N/A THR 115.A OG1 ILE 89.A O no hydrogen 3.209 N/A THR 115.A OG1 ASP 90.A OD1 no hydrogen 2.606 N/A SER 116.A OG GLN 119.A OE1 no hydrogen 2.312 N/A GLY 118.A N GLU 113.A OE2 no hydrogen 3.158 N/A GLN 119.A NE2 ASN 205.A OD1 no hydrogen 3.583 N/A LEU 121.A N ILE 197.A O no hydrogen 2.810 N/A MET 123.A N ILE 195.A O no hydrogen 2.994 N/A SER 124.A N ILE 109.A O no hydrogen 2.997 N/A SER 124.A OG THR 92.A OG1 no hydrogen 2.572 N/A SER 124.A OG GLN 93.A OE1 no hydrogen 2.584 N/A VAL 125.A N CYS 193.A O no hydrogen 2.807 N/A VAL 126.A N PHE 107.A O no hydrogen 2.784 N/A LEU 127.A N ILE 191.A O no hydrogen 2.913 N/A ARG 128.A NE SER 105.A O no hydrogen 2.645 N/A ARG 128.A NH1 GLU 189.A O no hydrogen 2.790 N/A ARG 128.A NH2 LEU 100.A O no hydrogen 3.069 N/A ARG 128.A NH2 SER 105.A O no hydrogen 3.467 N/A ASN 130.A ND2 ASN 130.A O no hydrogen 2.597 N/A MET 135.A N ALA 132.A O no hydrogen 3.332 N/A LYS 138.A N MET 135.A O no hydrogen 3.288 N/A LYS 138.A NZ PHE 245.A O no hydrogen 2.896 N/A LYS 138.A NZ LEU 248.A O no hydrogen 2.716 N/A PHE 139.A N ILE 136.A O no hydrogen 2.999 N/A LEU 141.A N LYS 138.A O no hydrogen 2.968 N/A PHE 142.A N LYS 138.A O no hydrogen 3.241 N/A ILE 143.A N PHE 139.A O no hydrogen 2.970 N/A ALA 144.A N ASN 140.A O no hydrogen 3.169 N/A GLY 146.A N PHE 142.A O no hydrogen 3.299 N/A ILE 147.A N ILE 143.A O no hydrogen 2.972 N/A ARG 148.A N ALA 144.A O no hydrogen 2.883 N/A ARG 148.A NE ASP 149.A OD1 no hydrogen 3.220 N/A ARG 148.A NH1 GLN 152.A OE1 no hydrogen 3.178 N/A ARG 148.A NH1 VAL 159.A O no hydrogen 2.827 N/A ARG 148.A NH2 ASP 149.A OD1 no hydrogen 3.025 N/A ASP 149.A N LEU 145.A O no hydrogen 2.961 N/A ALA 150.A N GLY 146.A O no hydrogen 3.115 N/A ILE 151.A N ILE 147.A O no hydrogen 3.072 N/A GLN 152.A N ARG 148.A O no hydrogen 3.011 N/A GLN 152.A NE2 GLN 152.A O no hydrogen 2.971 N/A GLN 152.A NE2 SER 155.A O no hydrogen 2.982 N/A GLN 152.A NE2 ASP 157.A O no hydrogen 2.943 N/A HIS 153.A N ASP 149.A O no hydrogen 3.315 N/A PHE 154.A N ILE 151.A O no hydrogen 3.118 N/A SER 155.A N GLN 152.A O no hydrogen 3.360 N/A SER 155.A OG ASP 157.A O no hydrogen 2.614 N/A GLN 156.A N HIS 220.A O no hydrogen 2.792 N/A GLN 156.A NE2 PHE 154.A O no hydrogen 3.379 N/A ASP 157.A N SER 155.A OG no hydrogen 2.999 N/A VAL 159.A N GLN 152.A OE1 no hydrogen 2.845 N/A LYS 160.A N TYR 168.A O no hydrogen 2.767 N/A LYS 160.A NZ ALA 259.A O no hydrogen 3.102 N/A VAL 161.A N ALA 260.A O no hydrogen 2.676 N/A LYS 162.A N ASP 166.A O no hydrogen 2.864 N/A LYS 162.A NZ ASP 166.A OD1 no hydrogen 3.443 N/A LYS 162.A NZ ILE 306.A O no hydrogen 2.582 N/A ASP 166.A N LYS 162.A O no hydrogen 3.217 N/A ILE 167.A N CYS 175.A O no hydrogen 2.811 N/A TYR 168.A N LYS 160.A O no hydrogen 2.817 N/A ILE 169.A N GLY 172.A O no hydrogen 2.946 N/A GLY 172.A N ILE 169.A O no hydrogen 3.082 N/A LYS 173.A N ARG 213.A O no hydrogen 2.850 N/A LYS 173.A NZ ASP 166.A OD1 no hydrogen 3.530 N/A LYS 173.A NZ ASP 166.A OD2 no hydrogen 3.498 N/A VAL 174.A N ILE 167.A O no hydrogen 2.802 N/A CYS 175.A N ILE 167.A O no hydrogen 3.038 N/A CYS 175.A SG GLY 196.A O no hydrogen 3.313 N/A GLY 176.A N GLY 196.A O no hydrogen 2.925 N/A PHE 177.A N ASN 165.A O no hydrogen 2.907 N/A LEU 178.A N GLY 194.A O no hydrogen 2.714 N/A THR 179.A OG1 ASN 140.A OD1 no hydrogen 2.526 N/A GLU 180.A N ILE 192.A O no hydrogen 2.821 N/A VAL 182.A N ALA 190.A O no hydrogen 2.938 N/A ASN 184.A N GLY 187.A O no hydrogen 2.859 N/A ASN 184.A ND2 GLU 189.A OE2 no hydrogen 3.389 N/A GLY 187.A N ASN 184.A OD1 no hydrogen 2.946 N/A GLU 189.A N VAL 182.A O no hydrogen 2.640 N/A ALA 190.A N VAL 182.A O no hydrogen 3.071 N/A ILE 191.A N LEU 127.A O no hydrogen 2.884 N/A ILE 192.A N GLU 180.A O no hydrogen 2.710 N/A CYS 193.A N VAL 125.A O no hydrogen 2.862 N/A CYS 193.A SG LEU 178.A O no hydrogen 3.736 N/A CYS 193.A SG THR 179.A OG1 no hydrogen 3.457 N/A GLY 194.A N LEU 178.A O no hydrogen 2.623 N/A ILE 195.A N MET 123.A O no hydrogen 2.647 N/A GLY 196.A N GLY 176.A O no hydrogen 2.907 N/A ILE 197.A N LEU 121.A O no hydrogen 2.992 N/A ASN 198.A N VAL 174.A O no hydrogen 2.951 N/A ASN 198.A ND2 LYS 173.A O no hydrogen 3.425 N/A ASN 198.A ND2 THR 215.A O no hydrogen 2.876 N/A LEU 199.A N GLN 119.A O no hydrogen 2.848 N/A THR 200.A N GLN 119.A O no hydrogen 3.129 N/A GLN 201.A N GLN 201.A OE1 no hydrogen 2.840 N/A GLN 202.A N ASN 205.A OD1 no hydrogen 2.738 N/A ASN 205.A N GLN 202.A O no hydrogen 2.763 N/A PHE 206.A N LEU 203.A O no hydrogen 3.247 N/A SER 209.A N ASP 207.A OD2 no hydrogen 2.831 N/A SER 209.A OG ASP 207.A OD2 no hydrogen 2.597 N/A ILE 210.A N ASP 207.A O no hydrogen 3.035 N/A ARG 211.A NH1 PHE 206.A O no hydrogen 3.105 N/A ARG 213.A N ILE 210.A O no hydrogen 2.881 N/A ALA 214.A N ARG 211.A O no hydrogen 3.443 N/A THR 215.A N LYS 173.A O no hydrogen 3.186 N/A THR 215.A OG1 SER 216.A O no hydrogen 3.465 N/A THR 215.A OG1 HIS 220.A NE2 no hydrogen 2.917 N/A SER 216.A OG GLN 201.A O no hydrogen 2.720 N/A ILE 217.A N ASN 198.A O no hydrogen 2.848 N/A GLN 218.A N LEU 199.A O no hydrogen 2.831 N/A GLN 218.A NE2 GLN 218.A O no hydrogen 3.007 N/A GLN 218.A NE2 ASP 221.A O no hydrogen 2.951 N/A GLN 218.A NE2 ASN 223.A O no hydrogen 2.821 N/A LEU 219.A N SER 216.A OG no hydrogen 3.349 N/A HIS 220.A N ILE 217.A O no hydrogen 2.984 N/A HIS 220.A ND1 ASP 157.A OD1 no hydrogen 2.505 N/A HIS 220.A NE2 THR 215.A OG1 no hydrogen 2.917 N/A ASP 221.A N GLN 218.A O no hydrogen 3.265 N/A LYS 222.A N GLN 156.A OE1 no hydrogen 2.684 N/A ASN 223.A N ASP 221.A OD1 no hydrogen 2.849 N/A LEU 225.A N GLN 218.A OE1 no hydrogen 2.798 N/A ARG 227.A NH1 ASP 112.A OD1 no hydrogen 3.091 N/A TYR 228.A N ASP 226.A OD1 no hydrogen 3.045 N/A TYR 228.A OH ILE 64.A O no hydrogen 2.626 N/A GLN 229.A N ASP 226.A OD1 no hydrogen 3.190 N/A PHE 230.A N ASP 226.A O no hydrogen 2.971 N/A LEU 231.A N ARG 227.A O no hydrogen 2.902 N/A GLU 232.A N TYR 228.A O no hydrogen 2.966 N/A ARG 233.A N GLN 229.A O no hydrogen 3.219 N/A LEU 234.A N PHE 230.A O no hydrogen 2.841 N/A LEU 235.A N LEU 231.A O no hydrogen 2.867 N/A GLN 236.A N GLU 232.A O no hydrogen 3.058 N/A GLU 237.A N ARG 233.A O no hydrogen 2.976 N/A ILE 238.A N LEU 234.A O no hydrogen 2.942 N/A GLU 239.A N LEU 235.A O no hydrogen 2.949 N/A LYS 240.A N GLN 236.A O no hydrogen 3.093 N/A ARG 241.A N GLU 237.A O no hydrogen 2.806 N/A ARG 241.A NE GLN 244.A OE1 no hydrogen 2.926 N/A ARG 241.A NH1 GLU 256.A OE2 no hydrogen 3.240 N/A ARG 241.A NH2 GLU 256.A OE1 no hydrogen 3.461 N/A TYR 242.A N ILE 238.A O no hydrogen 2.796 N/A ASN 243.A N GLU 239.A O no hydrogen 2.956 N/A GLN 244.A N LYS 240.A O no hydrogen 3.070 N/A PHE 245.A N ARG 241.A O no hydrogen 2.927 N/A LEU 246.A N TYR 242.A O no hydrogen 3.072 N/A THR 247.A N GLN 244.A O no hydrogen 3.100 N/A THR 247.A OG1 ASN 243.A O no hydrogen 2.527 N/A THR 247.A OG1 GLN 244.A O no hydrogen 3.377 N/A LEU 248.A N GLN 244.A O no hydrogen 2.653 N/A GLU 252.A N PRO 249.A O no hydrogen 2.949 N/A ILE 253.A N PHE 250.A O no hydrogen 2.710 N/A ARG 254.A NE LEU 283.A O no hydrogen 2.552 N/A ARG 254.A NH1 ASP 282.A OD1 no hydrogen 3.136 N/A TYR 257.A N ILE 253.A O no hydrogen 2.802 N/A ASN 258.A N ARG 254.A O no hydrogen 2.868 N/A ALA 259.A N GLU 255.A O no hydrogen 2.776 N/A ALA 260.A N GLU 256.A O no hydrogen 3.005 N/A ALA 260.A N TYR 257.A O no hydrogen 3.182 N/A SER 261.A N ASN 258.A O no hydrogen 3.086 N/A SER 261.A OG TYR 257.A O no hydrogen 2.883 N/A ASN 262.A N VAL 161.A O no hydrogen 3.071 N/A TRP 264.A NE1 ASN 258.A O no hydrogen 3.018 N/A LEU 268.A N GLY 278.A O no hydrogen 2.722 N/A LEU 269.A N ASP 307.A O no hydrogen 3.017 N/A PHE 270.A N PHE 276.A O no hydrogen 2.762 N/A THR 271.A N ASP 305.A O no hydrogen 3.137 N/A GLU 272.A N LYS 274.A O no hydrogen 2.635 N/A GLN 275.A NE2 THR 271.A OG1 no hydrogen 2.809 N/A PHE 276.A N PHE 270.A O no hydrogen 2.886 N/A GLY 278.A N LEU 268.A O no hydrogen 3.142 N/A GLN 279.A N ARG 292.A O no hydrogen 2.830 N/A GLN 279.A NE2 THR 267.A OG1 no hydrogen 2.788 N/A ILE 281.A N ILE 290.A O no hydrogen 2.832 N/A ASP 282.A N ILE 290.A O no hydrogen 3.339 N/A ASP 284.A N TYR 288.A O no hydrogen 2.860 N/A ASP 286.A N ASP 284.A OD1 no hydrogen 2.899 N/A GLY 287.A N ASP 284.A O no hydrogen 3.110 N/A TYR 288.A N ASP 284.A OD1 no hydrogen 2.857 N/A LEU 289.A N LEU 301.A O no hydrogen 2.766 N/A ILE 290.A N ASP 282.A O no hydrogen 2.771 N/A VAL 291.A N HIS 299.A O no hydrogen 2.910 N/A ARG 292.A N GLN 279.A O no hydrogen 2.802 N/A ARG 292.A NE GLN 279.A OE1 no hydrogen 3.369 N/A ARG 292.A NH2 GLN 279.A OE1 no hydrogen 3.054 N/A ASP 293.A N GLU 297.A O no hydrogen 3.146 N/A GLU 294.A N LYS 277.A O no hydrogen 3.102 N/A GLY 296.A N ASP 293.A O no hydrogen 2.876 N/A GLU 297.A N ASP 293.A OD2 no hydrogen 2.660 N/A HIS 299.A N VAL 291.A O no hydrogen 2.631 N/A HIS 299.A ND1 GLU 297.A O no hydrogen 2.828 N/A ARG 300.A NE ASP 284.A OD2 no hydrogen 2.798 N/A ARG 300.A NH2 ASP 284.A OD2 no hydrogen 2.995 N/A LEU 301.A N LEU 289.A O no hydrogen 2.983 N/A ASP 305.A N THR 271.A O no hydrogen 2.887 N/A ASP 307.A N LEU 269.A O no hydrogen 2.845 N/A