Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fqe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ILE 71.A O no hydrogen 2.851 N/A ASP 4.A N TYR 28.A OH no hydrogen 3.142 N/A ARG 5.A NE GLU 75.A OE1 no hydrogen 3.293 N/A ARG 5.A NH2 GLU 75.A OE1 no hydrogen 2.877 N/A LYS 6.A N ASP 4.A OD1 no hydrogen 2.856 N/A LEU 7.A N ASP 4.A O no hydrogen 2.868 N/A LEU 8.A N ARG 5.A O no hydrogen 3.054 N/A THR 9.A N TYR 27.A O no hydrogen 3.009 N/A GLU 11.A N LYS 25.A O no hydrogen 3.136 N/A LEU 15.A N VAL 23.A O no hydrogen 2.830 N/A SER 17.A OG GLY 21.A O no hydrogen 3.533 N/A GLY 18.A N GLY 21.A O no hydrogen 3.196 N/A GLY 21.A N GLY 18.A O no hydrogen 3.409 N/A THR 22.A N ILE 41.A O no hydrogen 2.971 N/A VAL 23.A N GLY 16.A O no hydrogen 3.214 N/A LYS 24.A N VAL 39.A O no hydrogen 3.111 N/A LYS 24.A NZ ASP 12.A O no hydrogen 3.545 N/A LYS 25.A NZ GLU 85.A OE1 no hydrogen 3.052 N/A GLY 26.A N VAL 37.A O no hydrogen 2.883 N/A TYR 27.A N THR 9.A O no hydrogen 3.191 N/A TYR 27.A OH GLU 11.A OE2 no hydrogen 2.481 N/A TYR 28.A N LYS 35.A O no hydrogen 2.839 N/A GLN 29.A N LEU 7.A O no hydrogen 3.191 N/A GLN 29.A NE2 MET 30.A O no hydrogen 2.560 N/A LYS 35.A N TYR 28.A O no hydrogen 2.991 N/A VAL 37.A N GLY 26.A O no hydrogen 2.778 N/A ALA 38.A N MET 81.A O no hydrogen 2.889 N/A VAL 39.A N LYS 24.A O no hydrogen 2.833 N/A LYS 40.A N LEU 79.A O no hydrogen 2.817 N/A LYS 40.A NZ GLU 53.A OE2 no hydrogen 3.362 N/A LYS 40.A NZ ASP 145.A OD1 no hydrogen 2.780 N/A ILE 41.A N THR 22.A O no hydrogen 2.878 N/A LEU 42.A N TRP 77.A O no hydrogen 3.324 N/A LYS 43.A N PHE 20.A O no hydrogen 2.849 N/A ASP 48.A N PRO 44.A O no hydrogen 3.271 N/A GLU 49.A N ALA 45.A O no hydrogen 3.092 N/A LEU 50.A N LEU 46.A O no hydrogen 3.086 N/A LEU 51.A N LYS 47.A O no hydrogen 3.228 N/A ALA 52.A N ASP 48.A O no hydrogen 2.994 N/A GLU 53.A N GLU 49.A O no hydrogen 3.049 N/A ALA 54.A N LEU 50.A O no hydrogen 2.980 N/A ASN 55.A N LEU 51.A O no hydrogen 2.955 N/A VAL 56.A N ALA 52.A O no hydrogen 2.885 N/A MET 57.A N GLU 53.A O no hydrogen 3.085 N/A GLN 58.A N ALA 54.A O no hydrogen 3.041 N/A GLN 59.A N VAL 56.A O no hydrogen 3.165 N/A GLN 59.A NE2 ASN 55.A O no hydrogen 3.005 N/A LEU 60.A N MET 57.A O no hydrogen 3.010 N/A ASP 61.A N TYR 117.A OH no hydrogen 2.873 N/A TYR 64.A N ASN 62.A OD1 no hydrogen 2.921 N/A ILE 65.A N ASN 62.A O no hydrogen 3.349 N/A VAL 66.A N ILE 143.A O no hydrogen 2.908 N/A ARG 67.A N GLU 82.A OE2 no hydrogen 3.307 N/A ILE 69.A N VAL 80.A O no hydrogen 2.651 N/A GLY 70.A N VAL 80.A O no hydrogen 3.137 N/A ILE 71.A N VAL 1.A O no hydrogen 2.701 N/A CYS 72.A N MET 78.A O no hydrogen 2.870 N/A CYS 72.A SG LEU 3.A O no hydrogen 3.801 N/A ALA 74.A N SER 76.A O no hydrogen 3.062 N/A SER 76.A OG LEU 42.A O no hydrogen 3.540 N/A MET 78.A N CYS 72.A O no hydrogen 2.795 N/A LEU 79.A N LYS 40.A O no hydrogen 2.932 N/A VAL 80.A N GLY 70.A O no hydrogen 2.828 N/A MET 81.A N ALA 38.A O no hydrogen 2.906 N/A GLU 82.A N ARG 67.A O no hydrogen 3.026 N/A LEU 86.A N LEU 135.A O no hydrogen 2.970 N/A GLY 87.A N ALA 84.A O no hydrogen 3.077 N/A LEU 89.A N VAL 133.A O no hydrogen 2.690 N/A LYS 91.A N ASN 90.A OD1 no hydrogen 2.807 N/A TYR 92.A N PRO 88.A O no hydrogen 3.195 N/A TYR 92.A OH GLN 138.A OE1 no hydrogen 2.945 N/A LEU 93.A N LEU 89.A O no hydrogen 3.077 N/A GLN 94.A N ASN 90.A O no hydrogen 3.046 N/A GLN 94.A NE2 GLY 199.A O no hydrogen 2.900 N/A GLN 95.A N LYS 91.A O no hydrogen 3.145 N/A GLN 95.A N TYR 92.A O no hydrogen 3.203 N/A ASN 96.A ND2 TYR 92.A O no hydrogen 2.875 N/A VAL 99.A N ASN 96.A O no hydrogen 3.314 N/A ASN 103.A N LYS 100.A O no hydrogen 3.105 N/A ASN 103.A ND2 GLN 138.A O no hydrogen 2.855 N/A ILE 104.A N LYS 100.A O no hydrogen 3.273 N/A ILE 105.A N ASP 101.A O no hydrogen 3.124 N/A GLU 106.A N LYS 102.A O no hydrogen 3.038 N/A LEU 107.A N ASN 103.A O no hydrogen 2.961 N/A VAL 108.A N ILE 104.A O no hydrogen 2.958 N/A HIS 109.A N ILE 105.A O no hydrogen 2.931 N/A HIS 109.A NE2 GLU 253.A OE2 no hydrogen 2.524 N/A GLN 110.A N GLU 106.A O no hydrogen 3.179 N/A GLN 110.A NE2 HIS 139.A O no hydrogen 2.825 N/A VAL 111.A N LEU 107.A O no hydrogen 3.143 N/A SER 112.A N VAL 108.A O no hydrogen 2.929 N/A SER 112.A OG HIS 109.A O no hydrogen 2.541 N/A MET 113.A N HIS 109.A O no hydrogen 2.871 N/A GLY 114.A N GLN 110.A O no hydrogen 3.060 N/A MET 115.A N VAL 111.A O no hydrogen 2.767 N/A LYS 116.A N SER 112.A O no hydrogen 2.795 N/A TYR 117.A N MET 113.A O no hydrogen 3.174 N/A LEU 118.A N GLY 114.A O no hydrogen 3.086 N/A GLU 119.A N MET 115.A O no hydrogen 2.935 N/A GLU 120.A N LYS 116.A O no hydrogen 3.048 N/A SER 121.A N TYR 117.A O no hydrogen 2.904 N/A SER 121.A OG TYR 117.A O no hydrogen 2.939 N/A ASN 122.A N GLU 119.A O no hydrogen 2.700 N/A PHE 123.A N LEU 118.A O no hydrogen 3.189 N/A VAL 124.A N LYS 150.A O no hydrogen 2.953 N/A HIS 125.A N ASP 184.A OD2 no hydrogen 2.978 N/A HIS 125.A NE2 SER 144.A O no hydrogen 2.932 N/A ARG 126.A N ASP 184.A OD1 no hydrogen 3.025 N/A ARG 126.A NH1 LEU 148.A O no hydrogen 2.695 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.036 N/A ALA 130.A N GLU 194.A OE1 no hydrogen 3.084 N/A ASN 132.A N ALA 129.A O no hydrogen 2.900 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.844 N/A VAL 133.A N ALA 130.A O no hydrogen 3.159 N/A LEU 134.A N LYS 142.A O no hydrogen 2.771 N/A LEU 135.A N GLY 87.A O no hydrogen 2.854 N/A VAL 136.A N TYR 140.A O no hydrogen 2.769 N/A THR 137.A N TYR 140.A O no hydrogen 3.373 N/A GLN 138.A NE2 ASN 103.A OD1 no hydrogen 2.638 N/A HIS 139.A N THR 137.A OG1 no hydrogen 2.928 N/A HIS 139.A ND1 GLU 106.A OE1 no hydrogen 2.905 N/A TYR 140.A N THR 137.A O no hydrogen 3.373 N/A TYR 140.A OH PRO 63.A O no hydrogen 2.611 N/A ALA 141.A N GLN 110.A OE1 no hydrogen 2.801 N/A LYS 142.A N LEU 134.A O no hydrogen 2.821 N/A LYS 142.A NZ GLU 82.A OE2 no hydrogen 2.796 N/A ILE 143.A N TYR 64.A O no hydrogen 2.864 N/A SER 144.A N ASN 132.A O no hydrogen 3.004 N/A SER 144.A OG ASP 145.A OD2 no hydrogen 2.646 N/A PHE 146.A N GLU 53.A OE2 no hydrogen 3.087 N/A SER 149.A N PHE 146.A O no hydrogen 3.062 N/A SER 149.A OG HIS 125.A O no hydrogen 3.359 N/A SER 149.A OG PHE 146.A O no hydrogen 3.096 N/A LYS 150.A N VAL 124.A O no hydrogen 3.087 N/A LYS 150.A NZ TYR 159.A OH no hydrogen 3.557 N/A LEU 152.A N ASN 122.A O no hydrogen 2.936 N/A ARG 153.A NE ASP 155.A OD1 no hydrogen 3.165 N/A ARG 153.A NH1 ASP 155.A OD1 no hydrogen 3.496 N/A ARG 153.A NH1 ASP 155.A OD2 no hydrogen 3.011 N/A GLU 156.A N ARG 153.A O no hydrogen 3.017 N/A TYR 159.A N PHE 179.A O no hydrogen 2.759 N/A LYS 160.A NZ ALA 161.A O no hydrogen 3.118 N/A ALA 161.A N TYR 177.A O no hydrogen 2.896 N/A VAL 166.A N TRP 164.A O no hydrogen 2.789 N/A LYS 167.A NZ MET 206.A O no hydrogen 3.040 N/A TRP 168.A N PRO 165.A O no hydrogen 3.029 N/A TRP 168.A NE1 GLU 194.A OE1 no hydrogen 2.884 N/A TYR 169.A N VAL 166.A O no hydrogen 3.007 N/A TYR 169.A OH ARG 126.A O no hydrogen 2.554 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.909 N/A CYS 173.A N ALA 170.A O no hydrogen 3.081 N/A CYS 173.A SG LYS 178.A O no hydrogen 3.620 N/A ILE 174.A N ALA 170.A O no hydrogen 3.336 N/A ASN 175.A N PRO 171.A O no hydrogen 2.911 N/A TYR 176.A N GLU 172.A O no hydrogen 2.935 N/A TYR 177.A N CYS 173.A O no hydrogen 2.959 N/A LYS 178.A N GLU 172.A O no hydrogen 3.466 N/A PHE 179.A N TYR 159.A O no hydrogen 2.829 N/A SER 180.A N SER 183.A OG no hydrogen 2.838 N/A SER 180.A OG SER 183.A OG no hydrogen 3.102 N/A LYS 182.A NZ VAL 243.A O no hydrogen 3.253 N/A LYS 182.A NZ ARG 246.A O no hydrogen 2.724 N/A SER 183.A OG GLU 172.A OE2 no hydrogen 3.016 N/A SER 183.A OG SER 180.A O no hydrogen 3.226 N/A SER 183.A OG SER 180.A OG no hydrogen 3.102 N/A ASP 184.A N SER 180.A O no hydrogen 3.297 N/A VAL 185.A N SER 181.A O no hydrogen 2.962 N/A TRP 186.A N LYS 182.A O no hydrogen 3.141 N/A SER 187.A N SER 183.A O no hydrogen 3.319 N/A SER 187.A OG TRP 168.A O no hydrogen 2.759 N/A SER 187.A OG SER 183.A O no hydrogen 3.231 N/A PHE 188.A N ASP 184.A O no hydrogen 2.840 N/A GLY 189.A N VAL 185.A O no hydrogen 3.068 N/A VAL 190.A N TRP 186.A O no hydrogen 3.334 N/A LEU 191.A N SER 187.A O no hydrogen 2.699 N/A MET 192.A N PHE 188.A O no hydrogen 2.782 N/A TRP 193.A N GLY 189.A O no hydrogen 3.029 N/A TRP 193.A NE1 GLY 222.A O no hydrogen 2.950 N/A GLU 194.A N VAL 190.A O no hydrogen 2.917 N/A ALA 195.A N LEU 191.A O no hydrogen 2.806 N/A PHE 196.A N MET 192.A O no hydrogen 2.754 N/A SER 197.A N TRP 193.A O no hydrogen 2.867 N/A SER 197.A N GLU 194.A O no hydrogen 3.171 N/A SER 197.A OG TRP 193.A O no hydrogen 2.826 N/A TYR 198.A N ALA 195.A O no hydrogen 3.197 N/A TYR 198.A OH VAL 99.A O no hydrogen 2.522 N/A GLY 199.A N GLU 194.A O no hydrogen 2.943 N/A MET 206.A N TYR 203.A O no hydrogen 3.264 N/A LYS 207.A N GLU 210.A OE1 no hydrogen 2.874 N/A GLU 210.A N LYS 207.A O no hydrogen 2.926 N/A VAL 211.A N LYS 207.A O no hydrogen 3.165 N/A THR 212.A N GLY 208.A O no hydrogen 3.311 N/A THR 212.A OG1 GLY 208.A O no hydrogen 3.498 N/A ALA 213.A N SER 209.A O no hydrogen 3.241 N/A MET 214.A N GLU 210.A O no hydrogen 2.852 N/A LEU 215.A N VAL 211.A O no hydrogen 2.943 N/A GLU 216.A N THR 212.A O no hydrogen 3.106 N/A LYS 217.A N ALA 213.A O no hydrogen 3.276 N/A GLY 218.A N LEU 215.A O no hydrogen 2.918 N/A GLU 219.A N MET 214.A O no hydrogen 3.099 N/A ARG 220.A NE TRP 239.A O no hydrogen 3.338 N/A ARG 220.A NH1 LEU 215.A O no hydrogen 3.219 N/A ARG 220.A NH1 GLU 219.A O no hydrogen 2.933 N/A ARG 220.A NH2 TRP 239.A O no hydrogen 2.943 N/A CYS 223.A SG PRO 224.A O no hydrogen 3.676 N/A CYS 223.A SG CYS 227.A O no hydrogen 3.772 N/A CYS 227.A N PRO 224.A O no hydrogen 3.135 N/A CYS 227.A SG PRO 228.A O no hydrogen 3.479 N/A TYR 232.A N PRO 228.A O no hydrogen 3.263 N/A TYR 232.A OH MET 221.A O no hydrogen 2.528 N/A ASP 233.A N ARG 229.A O no hydrogen 2.793 N/A LEU 234.A N GLU 230.A O no hydrogen 3.007 N/A MET 235.A N MET 231.A O no hydrogen 3.040 N/A ASN 236.A N TYR 232.A O no hydrogen 3.020 N/A ASN 236.A ND2 TYR 232.A O no hydrogen 3.193 N/A LEU 237.A N ASP 233.A O no hydrogen 2.961 N/A CYS 238.A N LEU 234.A O no hydrogen 2.885 N/A CYS 238.A SG LEU 234.A O no hydrogen 3.370 N/A TRP 239.A N MET 235.A O no hydrogen 3.027 N/A THR 240.A N LEU 237.A O no hydrogen 3.084 N/A THR 240.A OG1 LEU 237.A O no hydrogen 2.633 N/A ASN 245.A N ASP 242.A O no hydrogen 3.146 N/A ARG 246.A N ASP 242.A O no hydrogen 3.162 N/A ARG 246.A N VAL 243.A O no hydrogen 3.258 N/A ARG 246.A NE THR 240.A O no hydrogen 2.815 N/A ARG 246.A NH1 GLU 172.A OE2 no hydrogen 3.001 N/A ARG 246.A NH1 LYS 182.A O no hydrogen 2.685 N/A ARG 246.A NH2 GLU 172.A OE1 no hydrogen 2.982 N/A ARG 246.A NH2 THR 240.A O no hydrogen 3.018 N/A ARG 246.A NH2 TYR 241.A O no hydrogen 3.258 N/A PHE 249.A N GLU 119.A OE2 no hydrogen 3.166 N/A VAL 252.A N GLY 248.A O no hydrogen 3.160 N/A GLU 253.A N PHE 249.A O no hydrogen 2.620 N/A LEU 254.A N ALA 250.A O no hydrogen 2.961 N/A ARG 255.A N ALA 251.A O no hydrogen 3.050 N/A LEU 256.A N VAL 252.A O no hydrogen 3.005 N/A ARG 257.A N GLU 253.A O no hydrogen 2.796 N/A ARG 257.A NE GLU 253.A OE2 no hydrogen 3.191 N/A ARG 257.A NH2 GLU 253.A OE1 no hydrogen 2.653 N/A ASN 258.A N LEU 254.A O no hydrogen 3.008 N/A TYR 259.A N ARG 255.A O no hydrogen 3.156 N/A TYR 260.A N LEU 256.A O no hydrogen 3.002 N/A TYR 261.A N ARG 257.A O no hydrogen 3.181 N/A TYR 261.A N ASN 258.A O no hydrogen 3.109 N/A ASP 262.A N ASN 258.A O no hydrogen 3.268 N/A VAL 263.A N TYR 259.A O no hydrogen 3.179 N/A VAL 264.A N TYR 260.A O no hydrogen 3.030 N/A ASN 265.A N TYR 261.A O no hydrogen 3.050 N/A GLU 266.A N ASP 262.A O no hydrogen 2.841 N/A GLY 267.A N VAL 263.A O no hydrogen 3.128 N/A HIS 268.A N VAL 264.A O no hydrogen 3.380 N/A HIS 269.A N ASN 265.A O no hydrogen 3.039 N/A