Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5thq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N GLY 29.A O no hydrogen 2.728 N/A LYS 6.A N LEU 3.A O no hydrogen 3.004 N/A LYS 7.A N ASP 85.A OD2 no hydrogen 2.774 N/A ALA 8.A N ASP 31.A O no hydrogen 2.837 N/A LEU 9.A N VAL 86.A O no hydrogen 2.924 N/A VAL 10.A N PHE 33.A O no hydrogen 2.812 N/A THR 11.A N VAL 88.A O no hydrogen 2.972 N/A GLY 13.A N CYS 35.A O no hydrogen 2.888 N/A GLY 16.A N GLU 189.A OE2 no hydrogen 2.747 N/A ARG 19.A N ARG 15.A O no hydrogen 3.364 N/A ARG 19.A NH1 SER 14.A O no hydrogen 2.826 N/A ARG 19.A NH1 ALA 42.A O no hydrogen 2.814 N/A ARG 19.A NH2 SER 45.A OG no hydrogen 2.986 N/A GLY 20.A N GLY 16.A O no hydrogen 3.081 N/A VAL 21.A N VAL 17.A O no hydrogen 2.897 N/A VAL 22.A N GLY 18.A O no hydrogen 2.765 N/A LEU 23.A N ARG 19.A O no hydrogen 2.975 N/A ALA 24.A N GLY 20.A O no hydrogen 2.985 N/A LEU 25.A N VAL 21.A O no hydrogen 2.931 N/A ALA 26.A N VAL 22.A O no hydrogen 2.840 N/A ARG 27.A N LEU 23.A O no hydrogen 2.885 N/A ALA 28.A N ALA 24.A O no hydrogen 3.144 N/A GLY 29.A N ALA 26.A O no hydrogen 3.121 N/A VAL 30.A N LEU 25.A O no hydrogen 2.944 N/A ASP 31.A N LYS 6.A O no hydrogen 2.870 N/A VAL 32.A N HIS 57.A ND1 no hydrogen 3.026 N/A PHE 33.A N ALA 8.A O no hydrogen 2.745 N/A THR 34.A N HIS 58.A O no hydrogen 2.787 N/A THR 34.A OG1 VAL 10.A O no hydrogen 2.579 N/A TYR 36.A N LEU 60.A O no hydrogen 3.290 N/A TYR 36.A OH GLU 39.A OE1 no hydrogen 2.732 N/A TYR 36.A OH GLU 39.A OE2 no hydrogen 2.989 N/A SER 40.A N SER 43.A OG no hydrogen 2.774 N/A SER 43.A N SER 40.A OG no hydrogen 3.199 N/A SER 43.A OG SER 40.A O no hydrogen 2.914 N/A ALA 44.A N SER 40.A O no hydrogen 3.027 N/A SER 45.A N ASP 41.A O no hydrogen 2.951 N/A SER 45.A OG ASP 41.A O no hydrogen 2.954 N/A SER 45.A OG ALA 42.A O no hydrogen 3.212 N/A LEU 46.A N ALA 42.A O no hydrogen 2.882 N/A ALA 47.A N SER 43.A O no hydrogen 3.003 N/A ARG 48.A N ALA 44.A O no hydrogen 2.947 N/A GLU 49.A N SER 45.A O no hydrogen 2.909 N/A LEU 50.A N LEU 46.A O no hydrogen 2.892 N/A LYS 51.A N ALA 47.A O no hydrogen 2.994 N/A GLN 52.A N ARG 48.A O no hydrogen 3.081 N/A LEU 53.A N LEU 50.A O no hydrogen 2.991 N/A ASP 56.A N ASP 31.A OD1 no hydrogen 2.964 N/A HIS 57.A NE2 GLY 54.A O no hydrogen 3.083 N/A HIS 58.A N VAL 32.A O no hydrogen 3.071 N/A LEU 60.A N THR 34.A O no hydrogen 3.021 N/A ALA 62.A N TYR 36.A O no hydrogen 2.776 N/A ASP 63.A N GLN 69.A OE1 no hydrogen 2.676 N/A ALA 65.A N ASP 63.A OD1 no hydrogen 3.013 N/A ASP 66.A N ASP 63.A O no hydrogen 2.821 N/A LYS 68.A N ASP 66.A OD1 no hydrogen 3.110 N/A GLN 69.A NE2 ASP 66.A OD2 no hydrogen 2.855 N/A ILE 70.A N ASP 66.A O no hydrogen 3.249 N/A ALA 71.A N PRO 67.A O no hydrogen 3.007 N/A GLU 72.A N LYS 68.A O no hydrogen 2.876 N/A LEU 73.A N GLN 69.A O no hydrogen 2.902 N/A PHE 74.A N ILE 70.A O no hydrogen 2.994 N/A GLN 75.A N ALA 71.A O no hydrogen 2.966 N/A GLU 76.A N GLU 72.A O no hydrogen 3.023 N/A VAL 77.A N LEU 73.A O no hydrogen 2.900 N/A GLY 78.A N PHE 74.A O no hydrogen 2.894 N/A ARG 79.A N GLN 75.A O no hydrogen 2.970 N/A ARG 80.A N GLU 76.A O no hydrogen 2.994 N/A ARG 80.A NE GLU 76.A OE1 no hydrogen 3.321 N/A ARG 80.A NH1 HIS 58.A ND1 no hydrogen 2.981 N/A PHE 81.A N VAL 77.A O no hydrogen 2.826 N/A GLY 82.A N VAL 77.A O no hydrogen 3.180 N/A LEU 84.A N LEU 128.A O no hydrogen 2.960 N/A ASP 85.A N LYS 7.A O no hydrogen 2.756 N/A VAL 86.A N LYS 7.A O no hydrogen 3.005 N/A VAL 87.A N SER 134.A O no hydrogen 2.948 N/A VAL 88.A N LEU 9.A O no hydrogen 2.807 N/A ASN 89.A N ILE 136.A O no hydrogen 2.810 N/A ASN 90.A N THR 11.A OG1 no hydrogen 3.090 N/A ASN 90.A ND2 THR 11.A O no hydrogen 3.129 N/A ALA 91.A N THR 11.A OG1 no hydrogen 3.082 N/A VAL 93.A N ASN 114.A OD1 no hydrogen 2.913 N/A SER 95.A OG GLU 106.A OE2 no hydrogen 2.774 N/A SER 95.A OG HIS 152.A NE2 no hydrogen 3.130 N/A VAL 97.A N LEU 149.A O no hydrogen 3.015 N/A GLU 101.A N PRO 98.A O no hydrogen 2.893 N/A LEU 102.A N TYR 99.A O no hydrogen 3.064 N/A GLU 106.A N PRO 103.A O no hydrogen 3.031 N/A TRP 107.A N PRO 103.A O no hydrogen 3.068 N/A GLN 108.A N VAL 104.A O no hydrogen 2.956 N/A ARG 109.A N ALA 105.A O no hydrogen 2.944 N/A ARG 109.A NE GLU 106.A OE1 no hydrogen 3.016 N/A ARG 109.A NH2 GLU 106.A OE2 no hydrogen 2.739 N/A ILE 110.A N GLU 106.A O no hydrogen 3.052 N/A VAL 111.A N TRP 107.A O no hydrogen 2.964 N/A ASP 112.A N GLN 108.A O no hydrogen 2.730 N/A VAL 113.A N ARG 109.A O no hydrogen 2.983 N/A ASN 114.A N ILE 110.A O no hydrogen 2.915 N/A ASN 114.A ND2 VAL 93.A O no hydrogen 3.017 N/A ASN 114.A ND2 THR 156.A OG1 no hydrogen 3.157 N/A LEU 115.A N VAL 111.A O no hydrogen 3.063 N/A THR 116.A N VAL 111.A O no hydrogen 2.901 N/A GLY 117.A N ASP 112.A O no hydrogen 2.664 N/A HIS 119.A N LEU 115.A O no hydrogen 2.956 N/A LEU 120.A N THR 116.A O no hydrogen 2.878 N/A VAL 121.A N GLY 117.A O no hydrogen 2.919 N/A ILE 122.A N ALA 118.A O no hydrogen 2.976 N/A GLN 123.A N HIS 119.A O no hydrogen 2.868 N/A HIS 124.A N LEU 120.A O no hydrogen 2.865 N/A HIS 124.A ND1 LEU 120.A O no hydrogen 3.190 N/A ALA 125.A N VAL 121.A O no hydrogen 2.855 N/A ILE 126.A N ILE 122.A O no hydrogen 2.975 N/A LEU 129.A N ALA 125.A O no hydrogen 2.982 N/A LEU 129.A N ILE 126.A O no hydrogen 3.032 N/A GLY 130.A N ILE 126.A O no hydrogen 3.342 N/A LYS 132.A N LEU 129.A O no hydrogen 3.328 N/A LYS 132.A NZ ASP 231.A OD1 no hydrogen 3.286 N/A LYS 132.A NZ ASP 231.A OD2 no hydrogen 3.357 N/A SER 134.A N ASP 85.A O no hydrogen 2.958 N/A SER 134.A OG LEU 228.A O no hydrogen 2.692 N/A VAL 135.A N ARG 177.A O no hydrogen 2.809 N/A ILE 136.A N VAL 87.A O no hydrogen 2.837 N/A SER 137.A N ASN 179.A O no hydrogen 2.907 N/A SER 137.A OG ASN 89.A OD1 no hydrogen 3.389 N/A ILE 138.A N ASN 89.A O no hydrogen 2.884 N/A GLY 139.A N LEU 181.A O no hydrogen 2.578 N/A SER 140.A OG SER 142.A OG no hydrogen 2.684 N/A LYS 141.A N LEU 183.A O no hydrogen 2.958 N/A SER 142.A N SER 140.A OG no hydrogen 3.344 N/A SER 142.A OG SER 140.A OG no hydrogen 2.684 N/A SER 143.A N SER 140.A O no hydrogen 3.172 N/A SER 143.A OG SER 140.A O no hydrogen 2.869 N/A SER 143.A OG HIS 158.A ND1 no hydrogen 2.754 N/A GLU 144.A N LYS 141.A O no hydrogen 2.977 N/A VAL 145.A N SER 142.A O no hydrogen 3.022 N/A GLY 146.A N SER 142.A O no hydrogen 2.799 N/A ARG 150.A N ILE 147.A O no hydrogen 3.250 N/A ARG 150.A NE HIS 96.A NE2 no hydrogen 2.896 N/A HIS 152.A N HIS 152.A ND1 no hydrogen 2.819 N/A HIS 152.A NE2 SER 95.A OG no hydrogen 3.130 N/A THR 154.A N ARG 150.A O no hydrogen 2.912 N/A THR 154.A OG1 ARG 150.A O no hydrogen 3.452 N/A THR 154.A OG1 ALA 151.A O no hydrogen 3.157 N/A ALA 155.A N ALA 151.A O no hydrogen 2.884 N/A THR 156.A N HIS 152.A O no hydrogen 3.203 N/A THR 156.A OG1 TYR 153.A O no hydrogen 2.922 N/A LYS 157.A N TYR 153.A O no hydrogen 2.962 N/A LYS 157.A NZ ILE 138.A O no hydrogen 3.148 N/A HIS 158.A N THR 154.A O no hydrogen 2.934 N/A HIS 158.A ND1 SER 143.A OG no hydrogen 2.754 N/A ALA 159.A N ALA 155.A O no hydrogen 2.974 N/A LEU 160.A N THR 156.A O no hydrogen 3.210 N/A LEU 160.A N LYS 157.A O no hydrogen 3.310 N/A ARG 161.A N HIS 158.A O no hydrogen 3.139 N/A ARG 161.A NH1 GLU 144.A OE1 no hydrogen 3.184 N/A ARG 161.A NH2 SER 140.A O no hydrogen 3.032 N/A ARG 161.A NH2 GLU 144.A OE1 no hydrogen 2.917 N/A LEU 163.A N ALA 159.A O no hydrogen 3.039 N/A THR 164.A N LEU 160.A O no hydrogen 2.926 N/A THR 164.A OG1 LEU 160.A O no hydrogen 2.723 N/A ARG 165.A N ARG 161.A O no hydrogen 2.917 N/A ARG 165.A NH1 GLY 238.A O no hydrogen 2.748 N/A SER 166.A N GLY 162.A O no hydrogen 3.200 N/A LEU 167.A N LEU 163.A O no hydrogen 2.958 N/A ALA 168.A N THR 164.A O no hydrogen 2.858 N/A LYS 169.A N ARG 165.A O no hydrogen 3.215 N/A GLU 170.A N SER 166.A O no hydrogen 2.886 N/A TYR 171.A N LEU 167.A O no hydrogen 2.956 N/A SER 174.A N TYR 171.A O no hydrogen 2.968 N/A GLY 175.A N GLY 172.A O no hydrogen 3.186 N/A LEU 176.A N TYR 171.A O no hydrogen 3.305 N/A ARG 177.A N GLY 133.A O no hydrogen 3.094 N/A ARG 177.A NH1 LEU 228.A O no hydrogen 3.467 N/A ARG 177.A NH1 VAL 236.A O no hydrogen 3.092 N/A ARG 177.A NH2 LEU 228.A O no hydrogen 2.948 N/A PHE 178.A N THR 237.A OG1 no hydrogen 3.133 N/A ASN 179.A N VAL 135.A O no hydrogen 2.897 N/A ASN 179.A ND2 VAL 236.A O no hydrogen 3.212 N/A VAL 180.A N ALA 239.A O no hydrogen 2.918 N/A LEU 181.A N SER 137.A O no hydrogen 2.826 N/A ALA 182.A N ILE 241.A O no hydrogen 2.895 N/A LEU 183.A N GLY 139.A O no hydrogen 3.108 N/A GLY 184.A N VAL 243.A O no hydrogen 3.293 N/A GLU 187.A N GLY 216.A O no hydrogen 2.716 N/A GLU 189.A N GLU 189.A OE2 no hydrogen 2.825 N/A LEU 191.A N THR 188.A O no hydrogen 3.079 N/A HIS 192.A N THR 188.A O no hydrogen 3.340 N/A LEU 194.A N LEU 191.A O no hydrogen 3.429 N/A ASP 196.A N LEU 194.A O no hydrogen 3.151 N/A GLU 201.A N ASP 197.A O no hydrogen 3.118 N/A MET 202.A N GLU 198.A O no hydrogen 2.885 N/A THR 203.A N ARG 199.A O no hydrogen 2.983 N/A THR 203.A OG1 ARG 199.A O no hydrogen 3.016 N/A LYS 204.A N ALA 200.A O no hydrogen 2.941 N/A PHE 205.A N GLU 201.A O no hydrogen 2.899 N/A TYR 206.A N MET 202.A O no hydrogen 3.035 N/A SER 207.A N THR 203.A O no hydrogen 2.827 N/A SER 207.A OG THR 203.A O no hydrogen 2.875 N/A THR 208.A N LYS 204.A O no hydrogen 2.960 N/A THR 208.A OG1 LYS 204.A O no hydrogen 2.942 N/A LYS 209.A N TYR 206.A O no hydrogen 2.988 N/A THR 210.A N SER 207.A O no hydrogen 3.052 N/A THR 210.A OG1 SER 207.A O no hydrogen 2.912 N/A ALA 211.A N GLY 245.A O no hydrogen 2.843 N/A GLY 213.A N THR 210.A OG1 no hydrogen 2.686 N/A ARG 214.A NH2 GLU 220.A OE2 no hydrogen 2.601 N/A GLY 216.A N VAL 185.A O no hydrogen 2.807 N/A THR 217.A N GLU 220.A OE1 no hydrogen 2.883 N/A THR 217.A OG1 GLU 220.A OE1 no hydrogen 3.459 N/A GLU 220.A N THR 217.A OG1 no hydrogen 3.353 N/A VAL 221.A N THR 217.A O no hydrogen 3.254 N/A ALA 222.A N PRO 218.A O no hydrogen 2.946 N/A GLY 223.A N ASP 219.A O no hydrogen 2.987 N/A ALA 224.A N VAL 221.A O no hydrogen 3.019 N/A VAL 225.A N VAL 221.A O no hydrogen 2.974 N/A ALA 226.A N ALA 222.A O no hydrogen 2.835 N/A TRP 227.A N GLY 223.A O no hydrogen 3.175 N/A LEU 228.A N ALA 224.A O no hydrogen 2.919 N/A ALA 229.A N VAL 225.A O no hydrogen 2.859 N/A SER 230.A N TRP 227.A O no hydrogen 3.177 N/A SER 230.A OG TRP 227.A O no hydrogen 3.212 N/A LEU 232.A N SER 230.A OG no hydrogen 3.156 N/A SER 233.A N SER 230.A O no hydrogen 3.135 N/A SER 233.A OG TRP 227.A O no hydrogen 2.943 N/A SER 233.A OG LEU 228.A O no hydrogen 3.173 N/A SER 233.A OG SER 230.A O no hydrogen 3.024 N/A ARG 234.A N ASP 231.A O no hydrogen 3.310 N/A ARG 234.A NH1 ASP 231.A O no hydrogen 2.690 N/A VAL 236.A N SER 233.A O no hydrogen 2.781 N/A THR 237.A OG1 PHE 178.A O no hydrogen 3.536 N/A GLY 238.A N PHE 178.A O no hydrogen 2.711 N/A ALA 239.A N ASN 179.A OD1 no hydrogen 3.074 N/A ILE 241.A N VAL 180.A O no hydrogen 2.825 N/A HIS 242.A NE2 GLU 144.A OE1 no hydrogen 2.651 N/A VAL 243.A N ALA 182.A O no hydrogen 2.897 N/A GLY 246.A N ASP 244.A OD1 no hydrogen 2.847 N/A ILE 247.A N ASP 244.A O no hydrogen 2.973 N/A SER 248.A N LYS 209.A O no hydrogen 3.091 N/A