Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q6u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A ND1 SER 102.A O no hydrogen 3.027 N/A SER 9.A N ASP 7.A OD1 no hydrogen 2.818 N/A SER 9.A OG ASP 7.A OD1 no hydrogen 2.674 N/A ALA 10.A N ASP 7.A O no hydrogen 2.910 N/A LEU 11.A N LEU 8.A O no hydrogen 3.105 N/A LEU 15.A N ASN 12.A OD1 no hydrogen 2.994 N/A VAL 16.A N ASN 12.A O no hydrogen 3.029 N/A GLN 17.A N PRO 13.A O no hydrogen 3.244 N/A ALA 18.A N GLU 14.A O no hydrogen 3.088 N/A VAL 19.A N LEU 15.A O no hydrogen 2.972 N/A GLN 20.A N VAL 16.A O no hydrogen 3.102 N/A HIS 21.A N ALA 18.A O no hydrogen 3.162 N/A HIS 21.A ND1 GLN 17.A O no hydrogen 2.699 N/A VAL 22.A N VAL 19.A O no hydrogen 3.019 N/A ILE 24.A N ILE 98.A O no hydrogen 2.846 N/A SER 28.A N GLY 25.A O no hydrogen 3.010 N/A SER 28.A OG GLY 25.A O no hydrogen 2.790 N/A LEU 29.A N PRO 26.A O no hydrogen 3.174 N/A ILE 30.A N THR 49.A O no hydrogen 2.802 N/A HIS 32.A N HIS 47.A O no hydrogen 2.830 N/A HIS 32.A NE2 THR 49.A OG1 no hydrogen 3.007 N/A PHE 33.A N VAL 31.A O no hydrogen 2.965 N/A GLU 35.A N HIS 32.A O no hydrogen 2.830 N/A ILE 37.A N VAL 45.A O no hydrogen 2.734 N/A GLY 38.A N VAL 45.A O no hydrogen 3.241 N/A GLY 40.A N GLY 43.A O no hydrogen 2.761 N/A CYS 44.A N SER 64.A O no hydrogen 3.124 N/A CYS 44.A SG.A GLY 43.A O no hydrogen 3.729 N/A CYS 44.A SG.A ASN 66.A OD1 no hydrogen 3.578 N/A CYS 44.A SG.B GLY 38.A O no hydrogen 3.646 N/A CYS 44.A SG.B VAL 45.A O no hydrogen 4.041 N/A VAL 45.A N GLY 38.A O no hydrogen 2.789 N/A TYR 46.A N VAL 62.A O no hydrogen 2.867 N/A HIS 47.A N GLU 35.A O no hydrogen 2.947 N/A HIS 47.A ND1 HIS 59.A NE2 no hydrogen 2.853 N/A GLY 48.A N CYS 60.A O no hydrogen 2.907 N/A THR 49.A N ILE 30.A O no hydrogen 2.795 N/A THR 49.A OG1 HIS 32.A NE2 no hydrogen 3.007 N/A LEU 50.A N ILE 58.A O no hydrogen 2.865 N/A LEU 51.A N SER 28.A O no hydrogen 2.789 N/A ASP 52.A N LYS 56.A O no hydrogen 2.791 N/A ASP 54.A N ASP 52.A OD1 no hydrogen 2.762 N/A GLY 55.A N ASP 52.A O no hydrogen 3.106 N/A LYS 56.A N ASP 52.A OD1 no hydrogen 2.741 N/A ILE 58.A N LEU 50.A O no hydrogen 2.829 N/A HIS 59.A NE2 HIS 47.A ND1 no hydrogen 2.853 N/A CYS 60.A N GLY 48.A O no hydrogen 2.946 N/A ALA 61.A N LEU 110.A O no hydrogen 2.835 N/A VAL 62.A N TYR 46.A O no hydrogen 2.814 N/A LYS 63.A N VAL 108.A O no hydrogen 2.793 N/A SER 64.A N CYS 44.A O no hydrogen 3.000 N/A SER 64.A OG.A CYS 44.A O no hydrogen 3.416 N/A SER 64.A OG.B LEU 65.A O no hydrogen 3.380 N/A LEU 65.A N SER 105.A OG no hydrogen 2.920 N/A ASN 66.A N PHE 42.A O no hydrogen 2.751 N/A ASN 66.A ND2 GLY 40.A O no hydrogen 3.529 N/A ASN 66.A ND2 HIS 41.A O no hydrogen 3.266 N/A THR 69.A N GLU 73.A OE1 no hydrogen 2.832 N/A THR 69.A OG1 GLU 73.A OE1 no hydrogen 3.516 N/A ASP 70.A N GLU 73.A OE1 no hydrogen 3.156 N/A GLU 73.A N ASP 70.A O no hydrogen 3.216 N/A GLU 73.A N ASP 70.A OD1 no hydrogen 2.990 N/A SER 75.A N ILE 71.A O no hydrogen 2.839 N/A GLN 76.A N GLY 72.A O no hydrogen 2.982 N/A PHE 77.A N GLU 73.A O no hydrogen 3.005 N/A LEU 78.A N VAL 74.A O no hydrogen 2.913 N/A THR 79.A N SER 75.A O no hydrogen 2.866 N/A THR 79.A OG1 SER 75.A O no hydrogen 2.773 N/A GLU 80.A N GLN 76.A O no hydrogen 2.987 N/A GLY 81.A N PHE 77.A O no hydrogen 3.283 N/A ILE 82.A N LEU 78.A O no hydrogen 2.906 N/A ILE 83.A N THR 79.A O no hydrogen 3.112 N/A LYS 85.A N ILE 82.A O no hydrogen 2.931 N/A LYS 85.A NZ ASP 86.A OD1 no hydrogen 3.299 N/A LYS 85.A NZ ASP 86.A OD2 no hydrogen 3.415 N/A PHE 87.A N MET 84.A O no hydrogen 3.301 N/A SER 88.A N TYR 147.A OH no hydrogen 2.830 N/A ASN 91.A N HIS 89.A ND1 no hydrogen 2.919 N/A ASN 91.A ND2 GLN 140.A OE1 no hydrogen 2.946 N/A ASN 91.A ND2 VAL 171.A O no hydrogen 2.978 N/A VAL 92.A N HIS 89.A O no hydrogen 3.116 N/A LEU 93.A N VAL 173.A O no hydrogen 2.956 N/A LEU 96.A N VAL 109.A O no hydrogen 2.882 N/A GLY 97.A N VAL 109.A O no hydrogen 3.272 N/A ILE 98.A N VAL 22.A O no hydrogen 3.020 N/A CYS 99.A N LEU 107.A O no hydrogen 2.849 N/A CYS 99.A SG ILE 24.A O no hydrogen 3.549 N/A ARG 101.A NH2 SER 105.A O no hydrogen 2.861 N/A SER 102.A OG GLU 103.A OE1 no hydrogen 2.615 N/A SER 102.A OG GLU 103.A OE2 no hydrogen 2.964 N/A GLY 104.A N VAL 4.A O no hydrogen 2.837 N/A SER 105.A OG PRO 106.A O no hydrogen 2.654 N/A LEU 107.A N CYS 99.A O no hydrogen 2.916 N/A VAL 108.A N LYS 63.A O no hydrogen 2.980 N/A VAL 109.A N GLY 97.A O no hydrogen 2.837 N/A LEU 110.A N ALA 61.A O no hydrogen 2.843 N/A HIS 115.A N LEU 165.A O no hydrogen 2.955 N/A GLY 116.A N MET 113.A O no hydrogen 3.072 N/A LEU 118.A N CYS 163.A O no hydrogen 2.783 N/A ARG 119.A N ALA 160.A O no hydrogen 3.332 N/A ARG 119.A NH2 GLY 213.A O no hydrogen 2.847 N/A ASN 120.A N ASP 117.A OD2 no hydrogen 2.808 N/A ASN 120.A ND2 ASP 117.A OD1 no hydrogen 2.572 N/A PHE 121.A N ASP 117.A O no hydrogen 3.060 N/A ILE 122.A N LEU 118.A O no hydrogen 3.031 N/A ARG 123.A N ARG 119.A O no hydrogen 3.227 N/A ARG 123.A N ASN 120.A O no hydrogen 3.286 N/A ARG 123.A NH2 GLY 213.A O no hydrogen 2.895 N/A ASN 124.A N PHE 121.A O no hydrogen 3.314 N/A THR 126.A N ASN 124.A OD1 no hydrogen 2.606 N/A HIS 127.A N ASN 124.A O no hydrogen 2.885 N/A HIS 127.A ND1 PHE 121.A O no hydrogen 2.943 N/A ASN 128.A N ASN 124.A O no hydrogen 3.040 N/A THR 130.A OG1 ASP 133.A OD2 no hydrogen 3.326 N/A THR 130.A OG1 GLU 280.A O no hydrogen 2.824 N/A LYS 132.A NZ PHE 274.A O no hydrogen 2.861 N/A LYS 132.A NZ PHE 277.A O no hydrogen 2.773 N/A ASP 133.A N THR 130.A OG1 no hydrogen 3.034 N/A LEU 134.A N THR 130.A O no hydrogen 3.026 N/A ILE 135.A N VAL 131.A O no hydrogen 2.943 N/A GLY 136.A N LYS 132.A O no hydrogen 2.841 N/A PHE 137.A N ASP 133.A O no hydrogen 2.781 N/A GLY 138.A N LEU 134.A O no hydrogen 3.079 N/A LEU 139.A N ILE 135.A O no hydrogen 2.874 N/A GLN 140.A N GLY 136.A O no hydrogen 2.906 N/A GLN 140.A NE2 PHE 169.A O no hydrogen 3.102 N/A GLN 140.A NE2 HIS 285.A ND1 no hydrogen 2.986 N/A VAL 141.A N PHE 137.A O no hydrogen 3.044 N/A ALA 142.A N GLY 138.A O no hydrogen 2.977 N/A LYS 143.A N LEU 139.A O no hydrogen 2.961 N/A LYS 143.A NZ HIS 285.A O no hydrogen 3.362 N/A LYS 143.A NZ HIS 287.A OXT no hydrogen 2.700 N/A GLY 144.A N GLN 140.A O no hydrogen 3.024 N/A MET 145.A N VAL 141.A O no hydrogen 2.947 N/A LYS 146.A N ALA 142.A O no hydrogen 2.813 N/A TYR 147.A N LYS 143.A O no hydrogen 3.101 N/A LEU 148.A N GLY 144.A O no hydrogen 2.962 N/A ALA 149.A N MET 145.A O no hydrogen 2.776 N/A SER 150.A N LYS 146.A O no hydrogen 3.046 N/A SER 150.A OG TYR 147.A O no hydrogen 2.571 N/A LYS 151.A N TYR 147.A O no hydrogen 3.310 N/A LYS 151.A N LEU 148.A O no hydrogen 2.999 N/A LYS 152.A N ALA 149.A O no hydrogen 2.886 N/A PHE 153.A N LEU 148.A O no hydrogen 2.979 N/A HIS 155.A N ASP 198.A OD2 no hydrogen 2.797 N/A HIS 155.A NE2 ALA 174.A O no hydrogen 2.769 N/A ARG 156.A N ASP 198.A OD1 no hydrogen 3.034 N/A ASP 157.A N HIS 155.A ND1 no hydrogen 2.946 N/A ALA 160.A N GLU 208.A OE1 no hydrogen 2.818 N/A ARG 161.A NH2 ASP 157.A OD1 no hydrogen 3.168 N/A ASN 162.A N ALA 159.A O no hydrogen 2.964 N/A ASN 162.A ND2 ASP 157.A O no hydrogen 2.656 N/A CYS 163.A N ALA 160.A O no hydrogen 3.314 N/A CYS 163.A SG ALA 159.A O no hydrogen 3.757 N/A MET 164.A N LYS 172.A O no hydrogen 2.920 N/A LEU 165.A N GLY 116.A O no hydrogen 2.879 N/A ASP 166.A N THR 170.A O no hydrogen 3.008 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 2.802 N/A LYS 168.A N ASP 166.A OD1 no hydrogen 2.872 N/A PHE 169.A N ASP 166.A O no hydrogen 2.817 N/A THR 170.A N ASP 166.A OD1 no hydrogen 3.030 N/A THR 170.A OG1 ASP 166.A OD1 no hydrogen 3.435 N/A THR 170.A OG1 HIS 287.A NE2 no hydrogen 3.032 N/A VAL 171.A N GLN 140.A OE1 no hydrogen 2.769 N/A LYS 172.A N MET 164.A O no hydrogen 2.741 N/A LYS 172.A NZ PRO 90.A O no hydrogen 2.722 N/A VAL 173.A N ASN 91.A O no hydrogen 2.839 N/A ALA 174.A N ASN 162.A O no hydrogen 2.873 N/A GLY 177.A N HIS 155.A O no hydrogen 2.686 N/A VAL 180.A N LEU 178.A O no hydrogen 2.537 N/A LYS 181.A NZ TYR 217.A O no hydrogen 2.731 N/A LYS 181.A NZ VAL 220.A O no hydrogen 2.818 N/A TRP 182.A N PRO 179.A O no hydrogen 3.026 N/A TRP 182.A NE1 GLU 208.A OE1 no hydrogen 2.892 N/A MET 183.A N VAL 180.A O no hydrogen 3.142 N/A GLU 186.A N GLU 186.A OE2 no hydrogen 2.812 N/A SER 187.A N ALA 184.A O no hydrogen 2.910 N/A SER 187.A OG LYS 192.A O no hydrogen 2.749 N/A LEU 188.A N ALA 184.A O no hydrogen 3.024 N/A GLN 189.A N LEU 185.A O no hydrogen 3.173 N/A THR 190.A N GLU 186.A O no hydrogen 2.827 N/A THR 190.A OG1 GLU 186.A O no hydrogen 2.659 N/A GLN 191.A N SER 187.A O no hydrogen 2.769 N/A LYS 192.A N THR 190.A OG1 no hydrogen 3.226 N/A THR 194.A N SER 197.A OG no hydrogen 2.886 N/A LYS 196.A NZ ARG 260.A O no hydrogen 3.032 N/A SER 197.A N THR 194.A O no hydrogen 3.032 N/A SER 197.A N THR 194.A OG1 no hydrogen 3.113 N/A SER 197.A OG THR 194.A O no hydrogen 2.986 N/A ASP 198.A N THR 194.A O no hydrogen 3.058 N/A VAL 199.A N THR 195.A O no hydrogen 2.955 N/A TRP 200.A N LYS 196.A O no hydrogen 3.242 N/A SER 201.A N SER 197.A O no hydrogen 3.121 N/A SER 201.A OG TRP 182.A O no hydrogen 2.656 N/A SER 201.A OG SER 197.A O no hydrogen 3.382 N/A PHE 202.A N ASP 198.A O no hydrogen 2.855 N/A GLY 203.A N VAL 199.A O no hydrogen 3.014 N/A VAL 204.A N TRP 200.A O no hydrogen 3.148 N/A LEU 205.A N SER 201.A O no hydrogen 2.822 N/A LEU 206.A N PHE 202.A O no hydrogen 2.861 N/A TRP 207.A N GLY 203.A O no hydrogen 3.070 N/A TRP 207.A NE1 LEU 236.A O no hydrogen 2.819 N/A GLU 208.A N VAL 204.A O no hydrogen 2.874 N/A LEU 209.A N LEU 205.A O no hydrogen 2.891 N/A MET 210.A N LEU 206.A O no hydrogen 2.941 N/A THR 211.A N TRP 207.A O no hydrogen 2.955 N/A THR 211.A OG1 TRP 207.A O no hydrogen 2.923 N/A THR 211.A OG1 GLU 208.A O no hydrogen 3.174 N/A ARG 212.A N LEU 209.A O no hydrogen 3.033 N/A ARG 212.A NH1 PRO 129.A O no hydrogen 2.865 N/A ARG 212.A NH2 PRO 129.A O no hydrogen 2.644 N/A GLY 213.A N GLU 208.A O no hydrogen 2.794 N/A ALA 214.A N THR 211.A OG1 no hydrogen 3.114 N/A VAL 220.A N TYR 217.A O no hydrogen 3.084 N/A ASN 221.A ND2 ASP 224.A OD2 no hydrogen 3.348 N/A ASP 224.A N ASN 221.A O no hydrogen 2.860 N/A TYR 228.A N ASP 224.A O no hydrogen 3.089 N/A LEU 229.A N ILE 225.A O no hydrogen 2.996 N/A LEU 230.A N THR 226.A O no hydrogen 2.991 N/A GLN 231.A N VAL 227.A O no hydrogen 3.063 N/A GLN 231.A N TYR 228.A O no hydrogen 3.288 N/A GLY 232.A N LEU 229.A O no hydrogen 2.970 N/A ARG 234.A NE TRP 253.A O no hydrogen 2.953 N/A ARG 234.A NH1 LEU 229.A O no hydrogen 3.012 N/A ARG 234.A NH1 ARG 233.A O no hydrogen 2.888 N/A ARG 234.A NH2 TRP 253.A O no hydrogen 2.948 N/A GLN 237.A NE2 CYS 241.A O no hydrogen 2.758 N/A GLN 237.A NE2 ASP 243.A OD1 no hydrogen 2.788 N/A CYS 241.A N PRO 238.A O no hydrogen 3.146 N/A CYS 241.A SG PRO 242.A O no hydrogen 3.673 N/A LEU 245.A N PRO 242.A O no hydrogen 2.960 N/A TYR 246.A N PRO 242.A O no hydrogen 3.216 N/A TYR 246.A OH LEU 235.A O no hydrogen 2.673 N/A GLU 247.A N ASP 243.A O no hydrogen 3.095 N/A VAL 248.A N PRO 244.A O no hydrogen 3.154 N/A MET 249.A N LEU 245.A O no hydrogen 3.026 N/A LEU 250.A N TYR 246.A O no hydrogen 2.885 N/A LYS 251.A N GLU 247.A O no hydrogen 2.995 N/A CYS 252.A N VAL 248.A O no hydrogen 3.110 N/A CYS 252.A SG VAL 248.A O no hydrogen 3.496 N/A TRP 253.A N MET 249.A O no hydrogen 3.291 N/A TRP 253.A N LEU 250.A O no hydrogen 3.117 N/A HIS 254.A N LYS 251.A O no hydrogen 3.330 N/A LYS 256.A N HIS 254.A ND1 no hydrogen 3.006 N/A GLU 258.A N GLU 258.A OE1 no hydrogen 2.849 N/A MET 259.A N LYS 256.A O no hydrogen 2.827 N/A ARG 260.A N ALA 257.A O no hydrogen 3.108 N/A ARG 260.A NE HIS 254.A O no hydrogen 2.899 N/A ARG 260.A NH1 GLU 186.A OE1 no hydrogen 2.884 N/A ARG 260.A NH1 GLU 186.A OE2 no hydrogen 3.455 N/A ARG 260.A NH1 LYS 196.A O no hydrogen 2.965 N/A ARG 260.A NH2 GLU 186.A OE2 no hydrogen 2.851 N/A ARG 260.A NH2 HIS 254.A O no hydrogen 2.885 N/A SER 262.A N GLU 265.A OE1 no hydrogen 3.061 N/A GLU 265.A N SER 262.A OG no hydrogen 3.125 N/A LEU 266.A N SER 262.A O no hydrogen 2.913 N/A VAL 267.A N PHE 263.A O no hydrogen 2.807 N/A SER 268.A N SER 264.A O no hydrogen 3.068 N/A SER 268.A OG SER 264.A O no hydrogen 3.455 N/A ARG 269.A N GLU 265.A O no hydrogen 2.887 N/A ILE 270.A N LEU 266.A O no hydrogen 2.823 N/A SER 271.A N VAL 267.A O no hydrogen 2.892 N/A SER 271.A OG.B VAL 267.A O no hydrogen 2.778 N/A ALA 272.A N SER 268.A O no hydrogen 3.043 N/A ILE 273.A N ARG 269.A O no hydrogen 2.975 N/A PHE 274.A N ILE 270.A O no hydrogen 2.805 N/A SER 275.A N SER 271.A O no hydrogen 2.934 N/A SER 275.A OG SER 271.A O no hydrogen 3.509 N/A SER 275.A OG ALA 272.A O no hydrogen 2.896 N/A THR 276.A N ALA 272.A O no hydrogen 3.072 N/A THR 276.A N ILE 273.A O no hydrogen 3.230 N/A THR 276.A OG1 ALA 272.A O no hydrogen 2.834 N/A THR 276.A OG1 ILE 273.A O no hydrogen 3.400 N/A PHE 277.A N PHE 274.A O no hydrogen 3.381 N/A HIS 281.A ND1 HIS 283.A O no hydrogen 3.092 N/A HIS 282.A N ASP 133.A OD2 no hydrogen 2.774 N/A HIS 282.A NE2 GLU 280.A OE2 no hydrogen 2.631 N/A HIS 283.A N ASP 133.A OD1 no hydrogen 3.052 N/A HIS 285.A NE2 ASP 133.A OD1 no hydrogen 2.791 N/A HIS 287.A NE2 THR 170.A OG1 no hydrogen 3.032 N/A