Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qky_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 TYR 34.A OH no hydrogen 2.644 N/A SER 3.A N GLU 7.A OE1 no hydrogen 2.955 N/A GLU 7.A N SER 4.A OG no hydrogen 3.417 N/A ALA 8.A N SER 4.A O no hydrogen 3.128 N/A PHE 9.A N PRO 5.A O no hydrogen 2.827 N/A GLU 10.A N GLN 6.A O no hydrogen 2.816 N/A ARG 11.A N GLU 7.A O no hydrogen 2.904 N/A ALA 12.A N ALA 8.A O no hydrogen 2.901 N/A MET 13.A N PHE 9.A O no hydrogen 2.845 N/A GLU 14.A N GLU 10.A O no hydrogen 2.868 N/A PHE 15.A N ARG 11.A O no hydrogen 3.070 N/A TYR 16.A N ALA 12.A O no hydrogen 2.753 N/A ASN 17.A N MET 13.A O no hydrogen 2.850 N/A GLN 18.A N PHE 15.A O no hydrogen 3.135 N/A GLY 19.A N TYR 16.A O no hydrogen 3.100 N/A LYS 20.A N PHE 15.A O no hydrogen 2.933 N/A ARG 23.A NH1 GLU 26.A OE1 no hydrogen 3.354 N/A ALA 24.A N LYS 20.A O no hydrogen 2.957 N/A ILE 25.A N TYR 21.A O no hydrogen 2.905 N/A GLU 26.A N ASP 22.A O no hydrogen 3.307 N/A TYR 27.A N ARG 23.A O no hydrogen 3.098 N/A PHE 28.A N ALA 24.A O no hydrogen 2.805 N/A LYS 29.A N ILE 25.A O no hydrogen 3.053 N/A ALA 30.A N GLU 26.A O no hydrogen 3.076 N/A VAL 31.A N TYR 27.A O no hydrogen 3.198 N/A VAL 31.A N PHE 28.A O no hydrogen 3.056 N/A PHE 32.A N LYS 29.A O no hydrogen 3.039 N/A THR 33.A N ALA 30.A O no hydrogen 2.918 N/A THR 33.A OG1 ALA 30.A O no hydrogen 2.621 N/A TYR 34.A N VAL 31.A O no hydrogen 3.348 N/A TYR 34.A OH HIS 2.A ND1 no hydrogen 2.644 N/A GLY 35.A N PHE 32.A O no hydrogen 3.062 N/A ARG 36.A NH1 GLN 45.A OE1 no hydrogen 2.751 N/A ARG 36.A NH2 GLN 45.A OE1 no hydrogen 3.224 N/A TRP 40.A N HIS 38.A ND1 no hydrogen 3.188 N/A ALA 41.A N HIS 38.A O no hydrogen 3.386 N/A ALA 44.A N TRP 40.A O no hydrogen 2.985 N/A GLN 45.A N ALA 41.A O no hydrogen 2.966 N/A GLN 45.A NE2 GLU 64.A O no hydrogen 3.077 N/A GLN 45.A NE2 GLU 64.A OE1 no hydrogen 2.676 N/A PHE 46.A N ALA 42.A O no hydrogen 2.979 N/A TYR 47.A N ASP 43.A O no hydrogen 2.938 N/A LEU 48.A N ALA 44.A O no hydrogen 2.901 N/A ALA 49.A N GLN 45.A O no hydrogen 3.238 N/A ARG 50.A N PHE 46.A O no hydrogen 3.181 N/A ARG 50.A NE GLU 84.A OE1 no hydrogen 2.907 N/A ARG 50.A NH2 GLU 84.A OE2 no hydrogen 2.758 N/A ALA 51.A N TYR 47.A O no hydrogen 2.751 N/A TYR 52.A N LEU 48.A O no hydrogen 3.010 N/A TYR 53.A N ALA 49.A O no hydrogen 3.037 N/A GLN 54.A N ARG 50.A O no hydrogen 2.797 N/A ASN 55.A N ALA 51.A O no hydrogen 2.858 N/A ASN 55.A ND2 ASP 22.A OD1 no hydrogen 3.018 N/A ASN 55.A ND2 GLU 57.A OE2 no hydrogen 2.781 N/A LYS 56.A N TYR 53.A O no hydrogen 2.876 N/A LYS 56.A NZ TYR 58.A OH no hydrogen 3.412 N/A GLU 57.A N TYR 52.A O no hydrogen 2.790 N/A ALA 61.A N GLU 57.A O no hydrogen 2.846 N/A ALA 62.A N TYR 58.A O no hydrogen 2.842 N/A SER 63.A N LEU 59.A O no hydrogen 3.121 N/A GLU 64.A N LEU 60.A O no hydrogen 3.101 N/A TYR 65.A N ALA 61.A O no hydrogen 2.889 N/A TYR 65.A OH GLU 84.A OE1 no hydrogen 2.617 N/A GLU 66.A N ALA 62.A O no hydrogen 2.939 N/A ARG 67.A N SER 63.A O no hydrogen 2.991 N/A ARG 67.A NH1 GLU 64.A OE1 no hydrogen 3.222 N/A PHE 68.A N GLU 64.A O no hydrogen 2.906 N/A ILE 69.A N TYR 65.A O no hydrogen 3.048 N/A GLN 70.A N GLU 66.A O no hydrogen 2.897 N/A ILE 71.A N ARG 67.A O no hydrogen 2.926 N/A ILE 71.A N PHE 68.A O no hydrogen 3.268 N/A TYR 72.A N PHE 68.A O no hydrogen 2.918 N/A GLN 73.A NE2 GLN 70.A O no hydrogen 3.508 N/A ASP 75.A N TYR 72.A O no hydrogen 3.122 N/A ARG 77.A N ASP 75.A OD1 no hydrogen 2.892 N/A ARG 77.A NE ASP 75.A OD1 no hydrogen 2.825 N/A ARG 77.A NH1 ASP 43.A OD1 no hydrogen 2.809 N/A ARG 77.A NH2 ASP 43.A OD1 no hydrogen 2.951 N/A ARG 77.A NH2 ASP 75.A OD2 no hydrogen 2.870 N/A VAL 78.A N ASP 75.A O no hydrogen 2.910 N/A GLN 80.A NE2 PRO 76.A O no hydrogen 3.440 N/A ALA 81.A N ARG 77.A O no hydrogen 2.820 N/A GLU 82.A N VAL 78.A O no hydrogen 3.064 N/A TYR 83.A N PRO 79.A O no hydrogen 3.032 N/A GLU 84.A N GLN 80.A O no hydrogen 2.779 N/A ARG 85.A N ALA 81.A O no hydrogen 2.901 N/A ALA 86.A N GLU 82.A O no hydrogen 3.113 N/A MET 87.A N TYR 83.A O no hydrogen 2.968 N/A CYS 88.A N GLU 84.A O no hydrogen 3.137 N/A CYS 88.A N ARG 85.A O no hydrogen 3.023 N/A CYS 88.A SG TYR 58.A O no hydrogen 3.549 N/A CYS 88.A SG GLU 84.A O no hydrogen 3.517 N/A TYR 90.A N ALA 86.A O no hydrogen 2.970 N/A TYR 90.A OH GLU 132.A OE1 no hydrogen 2.788 N/A TYR 90.A OH GLU 132.A OE2 no hydrogen 2.975 N/A LYS 91.A N MET 87.A O no hydrogen 2.843 N/A LEU 92.A N CYS 88.A O no hydrogen 3.086 N/A SER 93.A N TYR 89.A O no hydrogen 2.812 N/A SER 93.A N TYR 90.A O no hydrogen 3.204 N/A SER 93.A OG THR 103.A OG1 no hydrogen 2.448 N/A LEU 98.A N PRO 95.A O no hydrogen 3.008 N/A GLN 100.A NE2 PRO 94.A O no hydrogen 3.334 N/A GLN 100.A NE2 LEU 98.A O no hydrogen 2.902 N/A THR 101.A N ASP 99.A OD2 no hydrogen 2.839 N/A THR 101.A OG1 ASP 99.A OD1 no hydrogen 3.568 N/A THR 101.A OG1 ASP 99.A OD2 no hydrogen 2.650 N/A THR 103.A OG1 SER 93.A OG no hydrogen 2.448 N/A THR 103.A OG1 GLN 100.A OE1 no hydrogen 2.692 N/A ARG 104.A N GLN 100.A O no hydrogen 3.034 N/A LYS 105.A N THR 101.A O no hydrogen 2.983 N/A ALA 106.A N ASP 102.A O no hydrogen 2.889 N/A ILE 107.A N THR 103.A O no hydrogen 3.086 N/A GLU 108.A N ARG 104.A O no hydrogen 3.142 N/A ALA 109.A N LYS 105.A O no hydrogen 3.057 N/A PHE 110.A N ALA 106.A O no hydrogen 2.886 N/A GLN 111.A N ILE 107.A O no hydrogen 2.874 N/A LEU 112.A N GLU 108.A O no hydrogen 2.929 N/A PHE 113.A N ALA 109.A O no hydrogen 3.118 N/A ILE 114.A N PHE 110.A O no hydrogen 2.913 N/A ASP 115.A N GLN 111.A O no hydrogen 2.909 N/A ARG 116.A N LEU 112.A O no hydrogen 2.958 N/A ARG 116.A NH1 GLU 82.A OE1 no hydrogen 3.060 N/A TYR 117.A N PHE 113.A O no hydrogen 2.957 N/A HIS 120.A N TYR 117.A O no hydrogen 3.036 N/A LEU 122.A N HIS 120.A ND1 no hydrogen 2.962 N/A VAL 123.A N HIS 120.A O no hydrogen 2.942 N/A ALA 126.A N LEU 122.A O no hydrogen 2.906 N/A THR 127.A N VAL 123.A O no hydrogen 2.812 N/A THR 127.A OG1 VAL 123.A O no hydrogen 2.876 N/A GLN 128.A N ASP 124.A O no hydrogen 3.091 N/A LYS 129.A N ASP 125.A O no hydrogen 3.018 N/A LYS 129.A NZ TYR 83.A OH no hydrogen 3.304 N/A ILE 130.A N ALA 126.A O no hydrogen 2.994 N/A ARG 131.A N THR 127.A O no hydrogen 2.986 N/A GLU 132.A N GLN 128.A O no hydrogen 3.042 N/A LEU 133.A N LYS 129.A O no hydrogen 2.824 N/A ARG 134.A N ILE 130.A O no hydrogen 2.737 N/A ALA 135.A N ARG 131.A O no hydrogen 3.002 N/A LYS 136.A N GLU 132.A O no hydrogen 3.367 N/A LYS 136.A NZ SER 93.A OG no hydrogen 2.713 N/A LYS 136.A NZ PRO 94.A O no hydrogen 3.146 N/A LEU 137.A N LEU 133.A O no hydrogen 3.309 N/A ALA 138.A N ARG 134.A O no hydrogen 2.932 N/A ARG 139.A N ALA 135.A O no hydrogen 2.890 N/A LYS 140.A N LYS 136.A O no hydrogen 2.989 N/A LYS 140.A NZ GLU 97.A O no hydrogen 3.453 N/A GLN 141.A N LEU 137.A O no hydrogen 3.251 N/A TYR 142.A N ALA 138.A O no hydrogen 2.814 N/A GLU 143.A N ARG 139.A O no hydrogen 2.868 N/A ALA 144.A N LYS 140.A O no hydrogen 3.083 N/A ALA 145.A N GLN 141.A O no hydrogen 2.906 N/A ARG 146.A N TYR 142.A O no hydrogen 2.968 N/A LEU 147.A N GLU 143.A O no hydrogen 3.116 N/A TYR 148.A N ALA 144.A O no hydrogen 3.053 N/A GLU 149.A N ALA 145.A O no hydrogen 2.888 N/A ARG 150.A N ARG 146.A O no hydrogen 2.841 N/A ARG 151.A N LEU 147.A O no hydrogen 2.941 N/A GLU 152.A N GLU 149.A O no hydrogen 2.823 N/A LEU 153.A N TYR 148.A O no hydrogen 2.919 N/A ALA 157.A N LEU 153.A O no hydrogen 2.965 N/A ALA 158.A N TYR 154.A O no hydrogen 2.802 N/A VAL 159.A N GLU 155.A O no hydrogen 3.091 N/A THR 160.A N ALA 156.A O no hydrogen 3.058 N/A THR 160.A OG1 ALA 156.A O no hydrogen 2.598 N/A TYR 161.A N ALA 157.A O no hydrogen 2.841 N/A TYR 161.A OH GLU 149.A OE1 no hydrogen 2.673 N/A GLU 162.A N ALA 158.A O no hydrogen 2.972 N/A ALA 163.A N VAL 159.A O no hydrogen 3.000 N/A PHE 165.A N TYR 161.A O no hydrogen 3.484 N/A ASP 166.A N GLU 162.A O no hydrogen 2.779 N/A ALA 167.A N ALA 163.A O no hydrogen 2.936 N/A TYR 168.A N VAL 164.A O no hydrogen 2.777 N/A THR 171.A N TYR 168.A O no hydrogen 3.233 N/A THR 171.A OG1 TYR 168.A O no hydrogen 2.751 N/A ALA 174.A N THR 171.A O no hydrogen 3.321 N/A ASP 176.A N ASP 175.A OD1 no hydrogen 3.053 N/A ALA 177.A N TRP 173.A O no hydrogen 2.908 N/A LEU 178.A N ALA 174.A O no hydrogen 3.076 N/A VAL 179.A N ASP 175.A O no hydrogen 3.198 N/A GLY 180.A N ASP 176.A O no hydrogen 2.946 N/A ALA 181.A N ALA 177.A O no hydrogen 2.815 N/A MET 182.A N LEU 178.A O no hydrogen 3.000 N/A ARG 183.A N VAL 179.A O no hydrogen 2.955 N/A ARG 183.A NE GLU 149.A OE2 no hydrogen 2.908 N/A ARG 183.A NH2 GLU 149.A OE1 no hydrogen 3.383 N/A ALA 184.A N GLY 180.A O no hydrogen 2.883 N/A TYR 185.A N ALA 181.A O no hydrogen 2.805 N/A TYR 185.A OH GLU 162.A OE1 no hydrogen 2.740 N/A ILE 186.A N MET 182.A O no hydrogen 2.961 N/A ALA 187.A N ARG 183.A O no hydrogen 2.985 N/A TYR 188.A N ALA 184.A O no hydrogen 2.792 N/A ALA 189.A N TYR 185.A O no hydrogen 2.853 N/A GLU 190.A N ILE 186.A O no hydrogen 3.039 N/A GLN 191.A N ALA 187.A O no hydrogen 3.253 N/A GLN 191.A N TYR 188.A O no hydrogen 3.214 N/A SER 192.A N ALA 189.A O no hydrogen 2.830 N/A SER 192.A OG TYR 188.A O no hydrogen 2.633 N/A ARG 194.A NH1 ASP 241.A OD2 no hydrogen 2.622 N/A ARG 194.A NH2 ASP 241.A OD2 no hydrogen 3.168 N/A ARG 196.A N VAL 193.A O no hydrogen 2.896 N/A GLN 197.A N ARG 194.A O no hydrogen 3.036 N/A GLN 197.A NE2 SER 192.A O no hydrogen 2.859 N/A ARG 200.A NH1 SER 192.A OG no hydrogen 2.766 N/A TYR 201.A N GLN 197.A O no hydrogen 2.973 N/A ARG 202.A N PRO 198.A O no hydrogen 2.786 N/A ARG 202.A NH1 GLU 199.A OE1 no hydrogen 2.694 N/A ARG 202.A NH2 GLU 239.A OE2 no hydrogen 2.562 N/A ARG 203.A N GLU 199.A O no hydrogen 3.117 N/A ARG 203.A NH2 GLU 162.A OE2 no hydrogen 2.931 N/A ALA 204.A N ARG 200.A O no hydrogen 3.449 N/A VAL 205.A N TYR 201.A O no hydrogen 2.978 N/A GLU 206.A N ARG 202.A O no hydrogen 2.839 N/A LEU 207.A N ARG 203.A O no hydrogen 2.953 N/A TYR 208.A N ALA 204.A O no hydrogen 3.223 N/A TYR 208.A OH LEU 221.A O no hydrogen 2.831 N/A ARG 210.A N GLU 206.A O no hydrogen 3.330 N/A ARG 210.A NH1 ASP 166.A OD1 no hydrogen 2.821 N/A LEU 211.A N LEU 207.A O no hydrogen 2.926 N/A LEU 212.A N TYR 208.A O no hydrogen 2.872 N/A GLN 213.A N GLU 209.A O no hydrogen 2.684 N/A ILE 214.A N ARG 210.A O no hydrogen 2.662 N/A PHE 215.A N LEU 211.A O no hydrogen 2.755 N/A SER 218.A N PHE 215.A O no hydrogen 2.883 N/A SER 218.A OG ASP 175.A OD2 no hydrogen 2.746 N/A LEU 220.A N SER 218.A OG no hydrogen 3.104 N/A LEU 221.A N SER 218.A O no hydrogen 3.230 N/A ALA 224.A N LEU 220.A O no hydrogen 2.667 N/A GLU 225.A N ARG 222.A O no hydrogen 3.327 N/A TYR 228.A N ALA 224.A O no hydrogen 2.841 N/A THR 229.A N GLU 225.A O no hydrogen 2.869 N/A THR 229.A OG1 GLU 225.A O no hydrogen 3.133 N/A ARG 230.A N GLU 226.A O no hydrogen 3.138 N/A ALA 231.A N LEU 227.A O no hydrogen 2.995 N/A ARG 232.A N TYR 228.A O no hydrogen 2.799 N/A ARG 232.A NH1 THR 236.A OG1 no hydrogen 3.196 N/A ARG 232.A NH1 GLU 239.A OE1 no hydrogen 3.297 N/A GLN 233.A N THR 229.A O no hydrogen 2.966 N/A ARG 234.A N ARG 230.A O no hydrogen 3.087 N/A ARG 234.A NH1 GLU 190.A OE2 no hydrogen 2.613 N/A ARG 234.A NH1 TYR 201.A OH no hydrogen 2.961 N/A ARG 234.A NH2 GLU 190.A OE2 no hydrogen 3.413 N/A LEU 235.A N ALA 231.A O no hydrogen 2.920 N/A THR 236.A N ARG 232.A O no hydrogen 2.941 N/A THR 236.A OG1 ARG 232.A O no hydrogen 2.965 N/A GLU 237.A N GLN 233.A O no hydrogen 3.106 N/A LEU 238.A N ARG 234.A O no hydrogen 3.091 N/A GLU 239.A N LEU 235.A O no hydrogen 2.813 N/A GLY 240.A N THR 236.A O no hydrogen 2.748 N/A ASP 241.A N LEU 238.A O no hydrogen 3.152 N/A SER 243.A N ASP 241.A OD1 no hydrogen 2.972 N/A SER 243.A OG ASP 241.A OD1 no hydrogen 2.731 N/A SER 243.A OG ASP 241.A OD2 no hydrogen 3.497 N/A LEU 244.A N ASP 241.A O no hydrogen 3.049 N/A GLY 247.A N GLN 250.A OE1 no hydrogen 3.081 N/A GLN 250.A N GLY 247.A O no hydrogen 2.924 N/A