Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qnk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N SER 1.A OG no hydrogen 3.099 N/A ARG 3.A NH1 HIS 27.A ND1 no hydrogen 3.113 N/A ARG 3.A NH2 GLU 29.A OE2 no hydrogen 2.825 N/A ARG 4.A N SER 1.A O no hydrogen 3.204 N/A ARG 4.A NH1 SER 240.A O no hydrogen 2.778 N/A LEU 5.A N SER 246.A O no hydrogen 2.900 N/A VAL 7.A N ASP 244.A O no hydrogen 2.940 N/A ARG 8.A N ASP 244.A OD2 no hydrogen 2.802 N/A ARG 8.A NH1 ASP 244.A OD1 no hydrogen 2.810 N/A TRP 10.A N GLY 6.A O no hydrogen 2.861 N/A VAL 11.A N VAL 7.A O no hydrogen 2.961 N/A LYS 12.A N ARG 8.A O no hydrogen 2.934 N/A GLU 13.A N ALA 9.A O no hydrogen 2.949 N/A ASN 14.A N TRP 10.A O no hydrogen 2.970 N/A ARG 15.A N LYS 12.A O no hydrogen 3.146 N/A ARG 15.A NH1 GLU 57.A OE1 no hydrogen 3.447 N/A ARG 15.A NH1 GLU 57.A OE2 no hydrogen 2.803 N/A ARG 15.A NH2 GLU 57.A OE1 no hydrogen 2.754 N/A SER 17.A N ASN 14.A O no hydrogen 2.849 N/A PHE 18.A N ARG 15.A O no hydrogen 3.077 N/A CYS 23.A N GLN 19.A O no hydrogen 2.759 N/A CYS 23.A SG PRO 38.A O no hydrogen 3.909 N/A ASN 24.A N VAL 22.A O no hydrogen 2.676 N/A LYS 25.A N PHE 34.A O no hydrogen 2.918 N/A GLU 29.A N LEU 31.A O no hydrogen 3.033 N/A GLN 30.A NE2 GLN 270.A O no hydrogen 2.990 N/A LEU 31.A N ASP 221.A OD2 no hydrogen 3.028 N/A LYS 32.A N GLU 102.A O no hydrogen 2.707 N/A LYS 32.A NZ GLU 29.A O no hydrogen 2.869 N/A VAL 33.A N HIS 27.A O no hydrogen 2.910 N/A ILE 35.A N GLY 98.A O no hydrogen 2.761 N/A GLY 36.A N CYS 23.A O no hydrogen 2.700 N/A ASN 39.A N ARG 92.A O no hydrogen 2.827 N/A ARG 41.A N GLN 91.A OE1 no hydrogen 2.998 N/A ARG 41.A NE ASP 43.A OD1 no hydrogen 2.992 N/A ARG 41.A NE ASP 43.A OD2 no hydrogen 3.227 N/A ARG 41.A NH1 ASP 43.A OD2 no hydrogen 2.967 N/A ARG 41.A NH2 ASN 39.A OD1 no hydrogen 2.769 N/A TYR 44.A N ARG 114.A O no hydrogen 2.737 N/A HIS 45.A N HIS 88.A O no hydrogen 2.806 N/A HIS 45.A ND1 HIS 88.A NE2 no hydrogen 3.077 N/A HIS 45.A NE2 ASP 111.A OD2 no hydrogen 2.738 N/A ILE 46.A N GLY 112.A O no hydrogen 2.882 N/A GLY 49.A N GLU 47.A OE1 no hydrogen 2.910 N/A GLU 51.A N LEU 82.A O no hydrogen 3.267 N/A VAL 52.A N VAL 101.A O no hydrogen 2.903 N/A PHE 53.A N PHE 80.A O no hydrogen 2.824 N/A TYR 54.A N LEU 99.A O no hydrogen 2.963 N/A GLN 55.A N GLU 78.A O no hydrogen 3.134 N/A GLN 55.A NE2 GLU 57.A O no hydrogen 3.475 N/A GLN 55.A NE2 GLY 58.A O no hydrogen 3.087 N/A GLU 57.A N VAL 97.A O no hydrogen 2.951 N/A GLY 58.A N GLN 76.A OE1 no hydrogen 2.780 N/A VAL 60.A N GLN 91.A O no hydrogen 3.025 N/A LEU 61.A N VAL 72.A O no hydrogen 2.733 N/A ARG 62.A N SER 89.A O no hydrogen 2.995 N/A ARG 62.A NH2 ASP 71.A OD1 no hydrogen 3.132 N/A VAL 63.A N ARG 70.A O no hydrogen 2.806 N/A LEU 64.A N PRO 87.A O no hydrogen 3.026 N/A GLU 65.A N LYS 68.A O no hydrogen 2.826 N/A GLN 66.A NE2 THR 170.A O no hydrogen 2.980 N/A LYS 68.A N GLU 65.A O no hydrogen 3.110 N/A HIS 69.A NE2 THR 120.A O no hydrogen 2.980 N/A ARG 70.A N VAL 63.A O no hydrogen 2.940 N/A ARG 70.A NE GLU 65.A OE1 no hydrogen 2.612 N/A ARG 70.A NH1 GLU 65.A OE1 no hydrogen 3.465 N/A ARG 70.A NH1 GLU 65.A OE2 no hydrogen 3.077 N/A VAL 72.A N LEU 61.A O no hydrogen 2.835 N/A ARG 75.A N GLU 78.A OE1 no hydrogen 2.921 N/A GLN 76.A N ASP 59.A OD1 no hydrogen 2.884 N/A GLY 77.A N GLN 55.A O no hydrogen 2.777 N/A GLU 78.A N ARG 75.A O no hydrogen 2.825 N/A PHE 80.A N PHE 53.A O no hydrogen 2.860 N/A LEU 82.A N GLU 51.A O no hydrogen 2.842 N/A ARG 85.A N GLU 47.A O no hydrogen 2.768 N/A ARG 85.A NH1 PRO 167.A O no hydrogen 2.923 N/A ARG 85.A NH1 GLY 279.A OXT no hydrogen 3.122 N/A ARG 85.A NH2 GLY 279.A OXT no hydrogen 2.724 N/A HIS 88.A N HIS 45.A O no hydrogen 2.938 N/A HIS 88.A ND1 VAL 86.A O no hydrogen 2.820 N/A SER 89.A N ARG 62.A O no hydrogen 2.691 N/A SER 89.A OG ARG 41.A O no hydrogen 3.305 N/A SER 89.A OG ASP 43.A O no hydrogen 2.789 N/A GLN 91.A N VAL 60.A O no hydrogen 2.738 N/A GLN 91.A NE2 ARG 41.A O no hydrogen 2.870 N/A GLN 91.A NE2 SER 89.A O no hydrogen 3.064 N/A ARG 92.A N ASN 39.A O no hydrogen 2.941 N/A ARG 92.A NH1 GLN 55.A OE1 no hydrogen 3.015 N/A THR 96.A OG1 PHE 93.A O no hydrogen 2.757 N/A VAL 97.A N GLU 57.A O no hydrogen 2.947 N/A GLY 98.A N ILE 35.A O no hydrogen 2.880 N/A LEU 99.A N TYR 54.A O no hydrogen 2.813 N/A VAL 101.A N VAL 52.A O no hydrogen 2.951 N/A GLU 102.A N LYS 32.A O no hydrogen 3.079 N/A ARG 103.A NE GLU 202.A OE2 no hydrogen 2.776 N/A ARG 103.A NH1 ARG 104.A O no hydrogen 3.123 N/A ARG 103.A NH1 GLU 109.A OE1 no hydrogen 2.746 N/A ARG 103.A NH1 GLU 109.A OE2 no hydrogen 3.551 N/A ARG 103.A NH2 GLU 109.A OE2 no hydrogen 2.971 N/A ARG 103.A NH2 GLU 202.A OE1 no hydrogen 3.036 N/A ARG 104.A N GLN 30.A O no hydrogen 2.773 N/A ARG 105.A NE ASP 111.A OD1 no hydrogen 2.905 N/A ARG 105.A NH1 GLU 102.A OE2 no hydrogen 2.930 N/A ARG 105.A NH1 ARG 103.A O no hydrogen 2.801 N/A ARG 105.A NH2 GLU 102.A OE2 no hydrogen 2.847 N/A ARG 105.A NH2 ASP 111.A OD2 no hydrogen 2.866 N/A LEU 106.A N GLU 109.A OE1 no hydrogen 2.838 N/A GLU 109.A N LEU 106.A O no hydrogen 2.989 N/A LEU 110.A N GLU 48.A OE2 no hydrogen 2.863 N/A ASP 111.A N PHE 128.A O no hydrogen 2.837 N/A GLY 112.A N ILE 46.A O no hydrogen 2.839 N/A LEU 113.A N LYS 126.A O no hydrogen 2.866 N/A ARG 114.A N TYR 44.A O no hydrogen 2.853 N/A ARG 114.A NE GLU 125.A OE1 no hydrogen 2.908 N/A ARG 114.A NH1 TYR 116.A OH no hydrogen 3.178 N/A ARG 114.A NH2 GLU 125.A OE1 no hydrogen 2.907 N/A TYR 115.A N PHE 124.A O no hydrogen 2.895 N/A VAL 117.A N ASP 121.A O no hydrogen 2.799 N/A THR 120.A N VAL 117.A O no hydrogen 2.860 N/A THR 120.A OG1 VAL 117.A O no hydrogen 2.619 N/A LEU 123.A N TYR 115.A O no hydrogen 2.794 N/A PHE 124.A N TYR 115.A O no hydrogen 3.271 N/A LYS 126.A N LEU 113.A O no hydrogen 2.959 N/A LYS 126.A NZ GLU 143.A OE1 no hydrogen 2.829 N/A TRP 127.A NE1 GLU 125.A OE1 no hydrogen 2.839 N/A PHE 128.A N ASP 111.A O no hydrogen 2.857 N/A LYS 131.A N GLN 136.A OE1 no hydrogen 2.626 N/A ASP 132.A N GLN 136.A OE1 no hydrogen 2.937 N/A THR 135.A OG1 ASP 132.A OD2 no hydrogen 3.281 N/A GLN 136.A N ASP 132.A O no hydrogen 3.032 N/A GLN 136.A NE2 TYR 129.A O no hydrogen 2.871 N/A LEU 137.A N LEU 133.A O no hydrogen 2.844 N/A ALA 138.A N GLY 134.A O no hydrogen 3.435 N/A ILE 141.A N LEU 137.A O no hydrogen 2.877 N/A GLN 142.A N ALA 138.A O no hydrogen 2.943 N/A GLN 142.A NE2 GLN 142.A O no hydrogen 2.972 N/A GLN 142.A NE2 SER 146.A OG no hydrogen 2.789 N/A GLU 143.A N PRO 139.A O no hydrogen 2.803 N/A PHE 144.A N ILE 140.A O no hydrogen 2.970 N/A PHE 145.A N ILE 141.A O no hydrogen 2.981 N/A SER 146.A N GLN 142.A O no hydrogen 2.996 N/A SER 146.A N GLU 143.A O no hydrogen 3.229 N/A SER 146.A OG GLN 142.A O no hydrogen 3.142 N/A SER 147.A N PHE 144.A O no hydrogen 2.930 N/A SER 147.A OG PHE 144.A O no hydrogen 2.717 N/A SER 147.A OG GLN 149.A OE1 no hydrogen 3.513 N/A GLN 149.A N GLN 149.A OE1 no hydrogen 2.790 N/A TYR 150.A N SER 147.A OG no hydrogen 2.974 N/A ARG 151.A N SER 147.A O no hydrogen 3.113 N/A ARG 151.A NE GLU 148.A OE1 no hydrogen 2.912 N/A ARG 151.A NH2 GLU 148.A OE1 no hydrogen 3.550 N/A ARG 151.A NH2 GLU 148.A OE2 no hydrogen 2.776 N/A THR 152.A N GLU 148.A O no hydrogen 2.932 N/A THR 152.A OG1 GLU 148.A O no hydrogen 3.008 N/A THR 152.A OG1 LYS 154.A O no hydrogen 3.460 N/A GLY 153.A N GLN 149.A O no hydrogen 2.761 N/A LYS 154.A N THR 152.A OG1 no hydrogen 2.987 N/A GLN 159.A N ILE 156.A O no hydrogen 2.858 N/A LEU 160.A N PRO 157.A O no hydrogen 3.241 N/A LEU 161.A N GLU 125.A OE2 no hydrogen 2.861 N/A SER 169.A N ARG 85.A O no hydrogen 2.865 N/A SER 169.A OG GLY 279.A O no hydrogen 3.515 N/A THR 170.A N GLY 279.A O no hydrogen 2.818 N/A THR 170.A OG1 GLY 279.A O no hydrogen 3.275 N/A ARG 171.A N SER 169.A OG no hydrogen 3.044 N/A ARG 171.A NH1 THR 200.A O no hydrogen 2.850 N/A ARG 171.A NH2 THR 200.A O no hydrogen 3.554 N/A ARG 171.A NH2 THR 200.A OG1 no hydrogen 2.967 N/A ILE 173.A N GLU 65.A OE2 no hydrogen 2.778 N/A LEU 177.A N GLY 77.A O no hydrogen 2.916 N/A ALA 179.A N SER 176.A OG no hydrogen 2.988 N/A TRP 180.A N SER 176.A O no hydrogen 2.998 N/A LEU 181.A N LEU 177.A O no hydrogen 2.935 N/A ASP 182.A N ASP 178.A O no hydrogen 2.873 N/A SER 183.A N ALA 179.A O no hydrogen 2.929 N/A SER 183.A OG TRP 180.A O no hydrogen 2.891 N/A HIS 184.A N TRP 180.A O no hydrogen 3.113 N/A HIS 185.A N ASP 182.A O no hydrogen 3.345 N/A HIS 185.A ND1 ASP 182.A O no hydrogen 2.669 N/A LEU 188.A N HIS 184.A O no hydrogen 3.113 N/A GLN 189.A N HIS 185.A O no hydrogen 3.012 N/A GLN 189.A NE2 SER 263.A O no hydrogen 2.830 N/A ALA 190.A N ARG 186.A O no hydrogen 2.954 N/A GLY 191.A N LEU 188.A O no hydrogen 3.028 N/A THR 192.A N GLU 187.A O no hydrogen 3.197 N/A LEU 194.A N ALA 207.A O no hydrogen 2.968 N/A SER 195.A OG GLN 204.A OE1 no hydrogen 2.740 N/A LEU 196.A N VAL 205.A O no hydrogen 2.873 N/A GLY 198.A N SER 195.A OG no hydrogen 3.065 N/A GLU 202.A N GLU 50.A OE2 no hydrogen 2.845 N/A THR 203.A N GLU 50.A OE1 no hydrogen 2.749 N/A THR 203.A OG1 GLU 50.A OE1 no hydrogen 2.688 N/A GLN 204.A N THR 269.A O no hydrogen 2.981 N/A GLN 204.A NE2 GLY 198.A O no hydrogen 3.041 N/A GLN 204.A NE2 TYR 201.A O no hydrogen 3.646 N/A ILE 206.A N.A SER 267.A O no hydrogen 2.954 N/A ILE 206.A N.B SER 267.A O no hydrogen 2.952 N/A ALA 207.A N LEU 194.A O no hydrogen 2.829 N/A TYR 208.A N ALA 265.A O no hydrogen 2.866 N/A TYR 208.A OH SER 267.A OG no hydrogen 2.725 N/A GLN 210.A N GLN 189.A OE1 no hydrogen 2.937 N/A GLY 211.A N ARG 259.A O no hydrogen 3.086 N/A SER 213.A N TRP 257.A O no hydrogen 2.826 N/A GLY 215.A N TYR 255.A O no hydrogen 2.650 N/A ASP 221.A N GLN 30.A OE1 no hydrogen 2.958 N/A VAL 222.A N VAL 249.A O no hydrogen 2.997 N/A TRP 223.A N VAL 268.A O no hydrogen 3.013 N/A LEU 224.A N LEU 247.A O no hydrogen 2.823 N/A TRP 225.A N LEU 266.A O no hydrogen 2.863 N/A TRP 225.A NE1 ASP 244.A OD1 no hydrogen 3.090 N/A GLN 226.A N ASP 245.A O no hydrogen 2.747 N/A GLN 226.A NE2 GLU 228.A O no hydrogen 3.006 N/A LEU 227.A N VAL 264.A O no hydrogen 2.802 N/A GLU 228.A N VAL 264.A O no hydrogen 3.106 N/A SER 230.A N THR 260.A OG1 no hydrogen 3.400 N/A SER 231.A N LEU 241.A O no hydrogen 2.916 N/A SER 231.A OG GLN 226.A OE1 no hydrogen 2.655 N/A VAL 232.A N GLU 258.A O no hydrogen 2.852 N/A VAL 233.A N LEU 239.A O no hydrogen 2.814 N/A THR 234.A N ALA 256.A O no hydrogen 2.856 N/A ARG 238.A NH1 GLU 258.A OE1 no hydrogen 3.010 N/A LEU 239.A N VAL 233.A O no hydrogen 2.862 N/A LEU 241.A N SER 231.A O no hydrogen 2.834 N/A ALA 242.A N ASP 245.A OD2 no hydrogen 2.874 N/A ASP 244.A N GLN 226.A O no hydrogen 2.720 N/A ASP 245.A N ALA 242.A O no hydrogen 2.869 N/A SER 246.A N LEU 5.A O no hydrogen 2.748 N/A SER 246.A OG LEU 5.A O no hydrogen 2.816 N/A LEU 247.A N LEU 224.A O no hydrogen 2.850 N/A LEU 248.A N ARG 3.A O no hydrogen 3.328 N/A VAL 249.A N VAL 222.A O no hydrogen 2.807 N/A ALA 251.A N ASP 221.A OD1 no hydrogen 2.871 N/A GLY 252.A N GLN 218.A O no hydrogen 2.754 N/A THR 253.A N LEU 250.A O no hydrogen 3.192 N/A THR 253.A OG1 LEU 250.A O no hydrogen 2.755 N/A TYR 255.A N GLY 215.A O no hydrogen 3.068 N/A ALA 256.A N THR 234.A O no hydrogen 2.983 N/A TRP 257.A N SER 213.A O no hydrogen 2.968 N/A TRP 257.A NE1 SER 231.A OG no hydrogen 2.887 N/A GLU 258.A N VAL 232.A O no hydrogen 2.890 N/A ARG 259.A N GLY 211.A O no hydrogen 2.732 N/A ARG 259.A NE GLY 209.A O no hydrogen 2.810 N/A ARG 259.A NH1 SER 213.A OG no hydrogen 3.249 N/A ARG 259.A NH2 SER 213.A OG no hydrogen 2.882 N/A THR 260.A N SER 230.A O no hydrogen 2.974 N/A THR 260.A OG1 SER 230.A O no hydrogen 2.894 N/A SER 263.A N THR 260.A O no hydrogen 3.138 N/A SER 263.A OG THR 260.A O no hydrogen 2.672 N/A VAL 264.A N GLU 228.A O no hydrogen 2.858 N/A ALA 265.A N TYR 208.A O no hydrogen 2.891 N/A LEU 266.A N TRP 225.A O no hydrogen 2.817 N/A SER 267.A N ILE 206.A O.A no hydrogen 2.832 N/A SER 267.A N ILE 206.A O.B no hydrogen 2.844 N/A SER 267.A OG TYR 208.A OH no hydrogen 2.725 N/A VAL 268.A N TRP 223.A O no hydrogen 2.806 N/A THR 269.A N GLN 204.A O no hydrogen 3.029 N/A GLN 270.A NE2 GLU 50.A O no hydrogen 3.189 N/A GLN 270.A NE2 VAL 101.A O no hydrogen 3.609 N/A GLN 270.A NE2 THR 203.A OG1 no hydrogen 2.977 N/A ALA 273.A N ASP 271.A OD1 no hydrogen 2.977 N/A CYS 274.A N ASP 271.A O no hydrogen 2.866 N/A LYS 275.A N PRO 272.A O no hydrogen 3.102 N/A LYS 275.A NZ GLU 109.A OE2 no hydrogen 2.601 N/A LYS 276.A NZ ASP 199.A O no hydrogen 3.199 N/A