Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qti_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG ASP 3.A OD1 no hydrogen 2.716 N/A LEU 7.A N LEU 4.A O no hydrogen 3.275 N/A LEU 11.A N ASN 8.A OD1 no hydrogen 3.011 N/A VAL 12.A N ASN 8.A O no hydrogen 2.875 N/A GLN 13.A N PRO 9.A O no hydrogen 3.020 N/A ALA 14.A N GLU 10.A O no hydrogen 3.265 N/A VAL 15.A N LEU 11.A O no hydrogen 2.822 N/A VAL 18.A N VAL 15.A O no hydrogen 2.843 N/A VAL 19.A N GLN 16.A O no hydrogen 3.302 N/A ILE 20.A N ILE 90.A O no hydrogen 2.771 N/A SER 24.A N GLY 21.A O no hydrogen 3.075 N/A LEU 25.A N PRO 22.A O no hydrogen 3.342 N/A ILE 26.A N THR 45.A O no hydrogen 2.804 N/A HIS 28.A N HIS 43.A O no hydrogen 2.871 N/A HIS 28.A NE2 THR 45.A OG1 no hydrogen 3.006 N/A GLU 31.A N HIS 28.A O no hydrogen 2.928 N/A ILE 33.A N VAL 41.A O no hydrogen 2.901 N/A GLY 34.A N VAL 41.A O no hydrogen 3.346 N/A GLY 36.A N GLY 39.A O no hydrogen 3.117 N/A PHE 38.A N ASP 173.A OD1 no hydrogen 3.434 N/A PHE 38.A N ASP 173.A OD2 no hydrogen 2.847 N/A GLY 39.A N GLY 36.A O no hydrogen 3.242 N/A VAL 41.A N GLY 34.A O no hydrogen 2.641 N/A TYR 42.A N VAL 54.A O no hydrogen 2.836 N/A HIS 43.A N GLU 31.A O no hydrogen 3.117 N/A HIS 43.A NE2 TYR 104.A OH no hydrogen 3.153 N/A GLY 44.A N CYS 52.A O no hydrogen 2.758 N/A THR 45.A N ILE 26.A O no hydrogen 2.757 N/A THR 45.A OG1 HIS 28.A NE2 no hydrogen 3.006 N/A LEU 46.A N ILE 50.A O no hydrogen 2.753 N/A LEU 47.A N SER 24.A O no hydrogen 2.787 N/A ILE 50.A N LEU 46.A O no hydrogen 2.761 N/A CYS 52.A N GLY 44.A O no hydrogen 2.922 N/A ALA 53.A N LEU 102.A O no hydrogen 2.776 N/A VAL 54.A N TYR 42.A O no hydrogen 2.825 N/A LYS 55.A N VAL 100.A O no hydrogen 2.843 N/A LYS 55.A NZ ASP 173.A OD2 no hydrogen 2.627 N/A LYS 55.A NZ TYR 175.A OH no hydrogen 3.394 N/A SER 56.A N CYS 40.A O no hydrogen 3.328 N/A LEU 57.A N PRO 98.A O no hydrogen 3.040 N/A ASN 58.A N PHE 38.A O no hydrogen 3.111 N/A THR 61.A N GLU 65.A OE1 no hydrogen 3.404 N/A GLU 65.A N ASP 62.A O no hydrogen 2.999 N/A VAL 66.A N ILE 63.A O no hydrogen 3.092 N/A PHE 69.A N GLU 65.A O no hydrogen 3.068 N/A LEU 70.A N VAL 66.A O no hydrogen 2.809 N/A THR 71.A N SER 67.A O no hydrogen 3.133 N/A THR 71.A OG1 SER 67.A O no hydrogen 2.961 N/A GLU 72.A N GLN 68.A O no hydrogen 2.952 N/A GLY 73.A N PHE 69.A O no hydrogen 3.267 N/A ILE 74.A N LEU 70.A O no hydrogen 3.220 N/A ILE 75.A N THR 71.A O no hydrogen 3.053 N/A MET 76.A N GLU 72.A O no hydrogen 2.987 N/A LYS 77.A N GLY 73.A O no hydrogen 2.870 N/A LYS 77.A NZ HIS 17.A O no hydrogen 3.562 N/A ASP 78.A N ILE 74.A O no hydrogen 3.125 N/A PHE 79.A N MET 76.A O no hydrogen 3.080 N/A ASN 83.A N HIS 81.A ND1 no hydrogen 2.973 N/A ASN 83.A ND2 VAL 163.A O no hydrogen 3.171 N/A VAL 84.A N HIS 81.A O no hydrogen 3.106 N/A LEU 85.A N VAL 165.A O no hydrogen 2.846 N/A LEU 88.A N VAL 101.A O no hydrogen 2.882 N/A GLY 89.A N VAL 101.A O no hydrogen 3.394 N/A ILE 90.A N VAL 18.A O no hydrogen 2.663 N/A CYS 91.A N LEU 99.A O no hydrogen 2.808 N/A CYS 91.A SG ILE 20.A O no hydrogen 3.760 N/A ARG 93.A NE SER 97.A O no hydrogen 3.200 N/A ARG 93.A NH2 SER 97.A O no hydrogen 3.119 N/A LEU 99.A N CYS 91.A O no hydrogen 2.868 N/A VAL 100.A N LYS 55.A O no hydrogen 2.813 N/A VAL 101.A N GLY 89.A O no hydrogen 2.836 N/A LEU 102.A N ALA 53.A O no hydrogen 2.810 N/A TYR 104.A OH HIS 43.A NE2 no hydrogen 3.153 N/A HIS 107.A N LEU 157.A O no hydrogen 2.989 N/A GLY 108.A N MET 105.A O no hydrogen 2.893 N/A LEU 110.A N CYS 155.A O no hydrogen 2.848 N/A ARG 111.A N ALA 152.A O no hydrogen 3.255 N/A ARG 111.A NE GLY 215.A O no hydrogen 3.059 N/A ARG 111.A NH2 GLY 215.A O no hydrogen 2.827 N/A ASN 112.A N ASP 109.A OD2 no hydrogen 2.983 N/A ASN 112.A ND2 ASP 109.A OD1 no hydrogen 2.715 N/A PHE 113.A N ASP 109.A O no hydrogen 3.129 N/A ILE 114.A N LEU 110.A O no hydrogen 3.107 N/A ARG 115.A N ARG 111.A O no hydrogen 3.116 N/A ARG 115.A NH1 GLY 215.A O no hydrogen 3.138 N/A ASN 116.A N ASN 112.A O no hydrogen 3.089 N/A THR 118.A N ASN 116.A OD1 no hydrogen 2.901 N/A THR 118.A OG1 ASN 116.A OD1 no hydrogen 2.610 N/A HIS 119.A N ASN 116.A O no hydrogen 3.224 N/A HIS 119.A ND1 PHE 113.A O no hydrogen 2.654 N/A THR 122.A N ASP 125.A OD2 no hydrogen 3.495 N/A VAL 123.A N HIS 280.A O no hydrogen 2.753 N/A LYS 124.A NZ PHE 273.A O no hydrogen 2.961 N/A LYS 124.A NZ PHE 276.A O no hydrogen 2.916 N/A ASP 125.A N THR 122.A OG1 no hydrogen 3.241 N/A LEU 126.A N THR 122.A O no hydrogen 3.190 N/A ILE 127.A N VAL 123.A O no hydrogen 2.974 N/A GLY 128.A N LYS 124.A O no hydrogen 2.768 N/A PHE 129.A N ASP 125.A O no hydrogen 2.932 N/A GLY 130.A N LEU 126.A O no hydrogen 3.104 N/A LEU 131.A N ILE 127.A O no hydrogen 2.842 N/A GLN 132.A N GLY 128.A O no hydrogen 3.011 N/A GLN 132.A NE2 PHE 161.A O no hydrogen 3.399 N/A VAL 133.A N PHE 129.A O no hydrogen 3.007 N/A ALA 134.A N GLY 130.A O no hydrogen 2.891 N/A LYS 135.A N LEU 131.A O no hydrogen 2.932 N/A GLY 136.A N GLN 132.A O no hydrogen 3.033 N/A MET 137.A N VAL 133.A O no hydrogen 2.915 N/A LYS 138.A N ALA 134.A O no hydrogen 2.886 N/A PHE 139.A N LYS 135.A O no hydrogen 3.278 N/A LEU 140.A N GLY 136.A O no hydrogen 3.088 N/A ALA 141.A N MET 137.A O no hydrogen 2.829 N/A SER 142.A N LYS 138.A O no hydrogen 3.105 N/A SER 142.A OG PHE 139.A O no hydrogen 2.616 N/A LYS 143.A N PHE 139.A O no hydrogen 3.219 N/A LYS 143.A N LEU 140.A O no hydrogen 3.050 N/A LYS 144.A N ALA 141.A O no hydrogen 2.934 N/A PHE 145.A N LEU 140.A O no hydrogen 2.953 N/A HIS 147.A N ASP 200.A OD2 no hydrogen 2.823 N/A HIS 147.A NE2 ALA 166.A O no hydrogen 2.635 N/A ARG 148.A N ASP 200.A OD1 no hydrogen 2.983 N/A ASP 149.A N HIS 147.A ND1 no hydrogen 3.143 N/A ALA 152.A N GLU 210.A OE2 no hydrogen 2.980 N/A ARG 153.A NH2 ASP 149.A OD1 no hydrogen 3.006 N/A ASN 154.A N ALA 151.A O no hydrogen 2.963 N/A ASN 154.A ND2 ASP 149.A O no hydrogen 2.832 N/A CYS 155.A N ALA 152.A O no hydrogen 3.325 N/A CYS 155.A SG ALA 151.A O no hydrogen 3.670 N/A MET 156.A N LYS 164.A O no hydrogen 2.813 N/A LEU 157.A N GLY 108.A O no hydrogen 2.780 N/A ASP 158.A N THR 162.A O no hydrogen 3.136 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.876 N/A LYS 160.A N ASP 158.A OD1 no hydrogen 2.969 N/A PHE 161.A N ASP 158.A O no hydrogen 2.892 N/A THR 162.A N ASP 158.A OD1 no hydrogen 3.068 N/A VAL 163.A N GLN 132.A OE1 no hydrogen 2.699 N/A LYS 164.A N MET 156.A O no hydrogen 2.838 N/A LYS 164.A NZ PRO 82.A O no hydrogen 2.636 N/A VAL 165.A N ASN 83.A O no hydrogen 2.879 N/A ALA 166.A N ASN 154.A O no hydrogen 2.963 N/A ALA 171.A N PHE 168.A O no hydrogen 3.129 N/A ARG 172.A N GLY 169.A O no hydrogen 3.296 N/A ARG 172.A NH1 HIS 147.A O no hydrogen 2.902 N/A ARG 172.A NH1 ASP 167.A O no hydrogen 2.859 N/A ARG 172.A NH2 HIS 147.A O no hydrogen 2.768 N/A ASP 173.A N ASP 167.A OD1 no hydrogen 2.868 N/A MET 174.A N ASP 173.A OD1 no hydrogen 2.793 N/A TYR 175.A OH ALA 171.A O no hydrogen 2.590 N/A GLU 178.A N ASP 176.A OD1 no hydrogen 3.382 N/A PHE 179.A N ASP 176.A O no hydrogen 3.230 N/A VAL 182.A N LEU 180.A O no hydrogen 2.786 N/A LYS 183.A NZ TYR 219.A O no hydrogen 3.385 N/A TRP 184.A N PRO 181.A O no hydrogen 3.011 N/A TRP 184.A NE1 GLU 210.A OE2 no hydrogen 2.907 N/A MET 185.A N VAL 182.A O no hydrogen 3.016 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.816 N/A SER 189.A OG LYS 194.A O no hydrogen 2.864 N/A LEU 190.A N ALA 186.A O no hydrogen 3.012 N/A GLN 191.A N LEU 187.A O no hydrogen 3.283 N/A THR 192.A N GLU 188.A O no hydrogen 2.764 N/A THR 192.A OG1 GLU 188.A O no hydrogen 2.696 N/A GLN 193.A N SER 189.A O no hydrogen 2.853 N/A THR 196.A N SER 199.A OG no hydrogen 2.800 N/A LYS 198.A NZ ARG 259.A O no hydrogen 2.771 N/A SER 199.A N THR 196.A OG1 no hydrogen 3.176 N/A SER 199.A OG THR 196.A O no hydrogen 2.907 N/A ASP 200.A N THR 196.A O no hydrogen 3.060 N/A VAL 201.A N THR 197.A O no hydrogen 2.925 N/A TRP 202.A N LYS 198.A O no hydrogen 3.361 N/A SER 203.A N SER 199.A O no hydrogen 3.174 N/A SER 203.A OG TRP 184.A O no hydrogen 2.715 N/A SER 203.A OG SER 199.A O no hydrogen 3.453 N/A PHE 204.A N ASP 200.A O no hydrogen 2.886 N/A GLY 205.A N VAL 201.A O no hydrogen 3.110 N/A VAL 206.A N TRP 202.A O no hydrogen 3.142 N/A LEU 207.A N SER 203.A O no hydrogen 2.822 N/A LEU 208.A N PHE 204.A O no hydrogen 2.874 N/A TRP 209.A N GLY 205.A O no hydrogen 3.199 N/A TRP 209.A NE1 LEU 235.A O no hydrogen 2.838 N/A GLU 210.A N VAL 206.A O no hydrogen 2.948 N/A LEU 211.A N LEU 207.A O no hydrogen 2.940 N/A MET 212.A N LEU 208.A O no hydrogen 3.126 N/A THR 213.A N TRP 209.A O no hydrogen 3.062 N/A THR 213.A OG1 TRP 209.A O no hydrogen 2.888 N/A THR 213.A OG1 GLU 210.A O no hydrogen 3.156 N/A ARG 214.A N LEU 211.A O no hydrogen 3.091 N/A ARG 214.A NE ILE 114.A O no hydrogen 2.871 N/A ARG 214.A NH1 VAL 282.A O no hydrogen 3.124 N/A ARG 214.A NH2 ILE 114.A O no hydrogen 3.280 N/A ARG 214.A NH2 HIS 119.A O no hydrogen 2.986 N/A GLY 215.A N GLU 210.A O no hydrogen 2.761 N/A ALA 216.A N THR 213.A OG1 no hydrogen 3.284 N/A TYR 227.A N ASP 223.A O no hydrogen 3.154 N/A LEU 228.A N ILE 224.A O no hydrogen 2.884 N/A LEU 229.A N THR 225.A O no hydrogen 2.915 N/A GLN 230.A N TYR 227.A O no hydrogen 3.275 N/A GLY 231.A N LEU 228.A O no hydrogen 2.977 N/A ARG 232.A N LEU 228.A O no hydrogen 3.186 N/A ARG 232.A NE GLN 230.A OE1 no hydrogen 2.767 N/A ARG 232.A NH2 GLN 230.A OE1 no hydrogen 3.467 N/A ARG 233.A NE TRP 252.A O no hydrogen 3.259 N/A ARG 233.A NH1 ARG 232.A O no hydrogen 2.954 N/A ARG 233.A NH2 TRP 252.A O no hydrogen 2.879 N/A GLN 236.A NE2 CYS 240.A O no hydrogen 2.813 N/A GLN 236.A NE2 ASP 242.A OD1 no hydrogen 3.107 N/A CYS 240.A N PRO 237.A O no hydrogen 3.053 N/A CYS 240.A SG PRO 241.A O no hydrogen 3.397 N/A TYR 245.A N PRO 241.A O no hydrogen 3.111 N/A TYR 245.A OH LEU 234.A O no hydrogen 2.621 N/A GLU 246.A N ASP 242.A O no hydrogen 2.974 N/A VAL 247.A N PRO 243.A O no hydrogen 3.045 N/A MET 248.A N LEU 244.A O no hydrogen 2.973 N/A LEU 249.A N TYR 245.A O no hydrogen 3.001 N/A LYS 250.A N GLU 246.A O no hydrogen 3.114 N/A CYS 251.A N VAL 247.A O no hydrogen 3.016 N/A CYS 251.A SG VAL 247.A O no hydrogen 3.415 N/A TRP 252.A N MET 248.A O no hydrogen 3.142 N/A TRP 252.A N LEU 249.A O no hydrogen 3.260 N/A HIS 253.A N LYS 250.A O no hydrogen 3.123 N/A LYS 255.A N HIS 253.A ND1 no hydrogen 3.015 N/A GLU 257.A N GLU 257.A OE1 no hydrogen 2.781 N/A MET 258.A N LYS 255.A O no hydrogen 2.874 N/A ARG 259.A N ALA 256.A O no hydrogen 3.037 N/A ARG 259.A NE HIS 253.A O no hydrogen 2.866 N/A ARG 259.A NH1 GLU 188.A OE1 no hydrogen 3.440 N/A ARG 259.A NH1 GLU 188.A OE2 no hydrogen 2.677 N/A ARG 259.A NH1 LYS 198.A O no hydrogen 3.127 N/A ARG 259.A NH2 GLU 188.A OE1 no hydrogen 2.781 N/A ARG 259.A NH2 HIS 253.A O no hydrogen 2.982 N/A GLU 264.A N SER 261.A OG no hydrogen 3.024 N/A LEU 265.A N SER 261.A O no hydrogen 3.035 N/A VAL 266.A N PHE 262.A O no hydrogen 2.982 N/A SER 267.A N SER 263.A O no hydrogen 3.266 N/A ARG 268.A N GLU 264.A O no hydrogen 2.847 N/A ARG 268.A NE GLU 264.A OE2 no hydrogen 2.666 N/A ARG 268.A NH2 GLU 264.A OE2 no hydrogen 3.354 N/A ILE 269.A N LEU 265.A O no hydrogen 2.897 N/A SER 270.A N VAL 266.A O no hydrogen 2.849 N/A SER 270.A OG SER 267.A O no hydrogen 2.896 N/A ALA 271.A N SER 267.A O no hydrogen 3.263 N/A ILE 272.A N ARG 268.A O no hydrogen 3.210 N/A PHE 273.A N ILE 269.A O no hydrogen 2.880 N/A SER 274.A N SER 270.A O no hydrogen 3.043 N/A SER 274.A OG ALA 271.A O no hydrogen 2.698 N/A THR 275.A N ILE 272.A O no hydrogen 3.095 N/A THR 275.A OG1 ILE 272.A O no hydrogen 2.699 N/A PHE 276.A N PHE 273.A O no hydrogen 3.083 N/A VAL 282.A N PRO 121.A O no hydrogen 3.080 N/A HIS 283.A ND1 TYR 239.A OH no hydrogen 3.062 N/A THR 287.A N ASN 285.A OD1 no hydrogen 2.815 N/A THR 287.A OG1 ASN 285.A OD1 no hydrogen 2.627 N/A TYR 288.A N ASN 285.A O no hydrogen 2.899 N/A VAL 289.A N ASN 285.A O no hydrogen 3.126 N/A VAL 291.A N TYR 288.A O no hydrogen 3.157 N/A