Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q1x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N MET 1.A O no hydrogen 2.897 N/A TYR 6.A N ASP 2.A O no hydrogen 2.964 N/A SER 7.A N ASN 3.A O no hydrogen 3.174 N/A SER 7.A OG TYR 4.A O no hydrogen 2.815 N/A ILE 8.A N TYR 4.A O no hydrogen 2.944 N/A ALA 9.A N ILE 5.A O no hydrogen 2.786 N/A HIS 10.A N TYR 6.A O no hydrogen 2.916 N/A HIS 10.A ND1 GLU 58.A OE1 no hydrogen 2.989 N/A GLN 11.A N SER 7.A O no hydrogen 3.124 N/A LEU 12.A N ILE 8.A O no hydrogen 2.962 N/A TYR 13.A N ALA 9.A O no hydrogen 2.932 N/A GLU 14.A N HIS 10.A O no hydrogen 3.032 N/A MET 15.A N GLN 11.A O no hydrogen 2.946 N/A TYR 16.A N LEU 12.A O no hydrogen 2.923 N/A TYR 16.A OH ASP 48.A OD1 no hydrogen 2.652 N/A LEU 17.A N TYR 13.A O no hydrogen 2.943 N/A GLN 18.A N GLU 14.A O no hydrogen 3.170 N/A GLN 18.A N MET 15.A O no hydrogen 3.040 N/A ASP 19.A N TYR 16.A O no hydrogen 3.237 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.637 N/A PHE 23.A N GLU 20.A O no hydrogen 2.999 N/A HIS 24.A N ASP 21.A O no hydrogen 2.846 N/A HIS 24.A ND1 ASP 48.A OD2 no hydrogen 2.753 N/A SER 25.A N ASP 48.A OD2 no hydrogen 3.058 N/A SER 25.A OG TYR 29.A OH no hydrogen 2.795 N/A ARG 27.A N SER 25.A OG no hydrogen 3.139 N/A TYR 29.A OH SER 25.A OG no hydrogen 2.795 N/A VAL 34.A N GLN 39.A OE1 no hydrogen 3.089 N/A GLU 37.A N GLU 37.A OE1 no hydrogen 2.739 N/A GLN 39.A N PHE 35.A O no hydrogen 2.941 N/A GLN 39.A NE2 LYS 32.A O no hydrogen 3.096 N/A LYS 40.A N THR 36.A O no hydrogen 2.918 N/A LYS 40.A NZ GLU 64.A OE1 no hydrogen 2.922 N/A LEU 41.A N GLU 37.A O no hydrogen 3.012 N/A ARG 42.A N LEU 38.A O no hydrogen 2.872 N/A ARG 42.A NH1 GLN 131.A OE1 no hydrogen 2.949 N/A ILE 44.A N LYS 40.A O no hydrogen 3.047 N/A PHE 45.A N LEU 41.A O no hydrogen 2.949 N/A PHE 46.A N ARG 42.A O no hydrogen 2.953 N/A PHE 49.A N PHE 46.A O no hydrogen 3.089 N/A PHE 50.A N PRO 47.A O no hydrogen 3.232 N/A MET 51.A N PRO 47.A O no hydrogen 2.791 N/A HIS 53.A N ASP 28.A OD1 no hydrogen 3.113 N/A LYS 55.A N LYS 52.A O no hydrogen 2.825 N/A ILE 56.A N HIS 53.A O no hydrogen 3.468 N/A THR 57.A OG1 LYS 55.A O no hydrogen 3.523 N/A HIS 60.A N THR 57.A OG1 no hydrogen 3.135 N/A HIS 60.A ND1 HIS 60.A O no hydrogen 3.046 N/A ALA 62.A N GLU 58.A O no hydrogen 2.820 N/A SER 63.A N SER 59.A O no hydrogen 2.884 N/A GLU 64.A N HIS 60.A O no hydrogen 2.975 N/A LEU 65.A N ILE 61.A O no hydrogen 2.848 N/A THR 66.A N ALA 62.A O no hydrogen 2.890 N/A THR 66.A OG1 ALA 62.A O no hydrogen 2.827 N/A LYS 67.A N SER 63.A O no hydrogen 3.130 N/A LEU 68.A N GLU 64.A O no hydrogen 2.975 N/A VAL 69.A N LEU 65.A O no hydrogen 2.829 N/A ASP 70.A N THR 66.A O no hydrogen 2.835 N/A TYR 71.A N LYS 67.A O no hydrogen 3.092 N/A ILE 72.A N LEU 68.A O no hydrogen 2.941 N/A LYS 73.A N VAL 69.A O no hydrogen 2.891 N/A LYS 73.A NZ ASP 70.A OD1 no hydrogen 3.348 N/A ASP 74.A N ASP 70.A O no hydrogen 3.018 N/A SER 75.A N TYR 71.A O no hydrogen 3.049 N/A SER 75.A OG TYR 71.A O no hydrogen 3.244 N/A VAL 76.A N ILE 72.A O no hydrogen 2.773 N/A THR 77.A N LYS 73.A O no hydrogen 2.886 N/A THR 77.A OG1 LYS 73.A O no hydrogen 2.859 N/A ALA 78.A N ASP 74.A O no hydrogen 3.085 N/A TYR 79.A N SER 75.A O no hydrogen 3.383 N/A TYR 79.A OH GLU 153.A OE1 no hydrogen 2.853 N/A TYR 79.A OH GLU 153.A OE2 no hydrogen 2.969 N/A ASN 80.A N VAL 76.A O no hydrogen 2.909 N/A ASN 80.A N THR 77.A O no hydrogen 3.214 N/A ASN 80.A ND2 VAL 76.A O no hydrogen 2.942 N/A ASN 80.A ND2 GLU 147.A OE2 no hydrogen 2.992 N/A GLU 82.A N GLU 82.A OE1 no hydrogen 2.756 N/A PHE 84.A N ASP 81.A OD2 no hydrogen 2.815 N/A ALA 85.A N ASP 81.A O no hydrogen 2.948 N/A HIS 86.A N GLU 82.A O no hydrogen 3.065 N/A GLN 87.A N LEU 83.A O no hydrogen 3.149 N/A CYS 88.A N PHE 84.A O no hydrogen 3.010 N/A CYS 88.A SG PHE 84.A O no hydrogen 3.273 N/A VAL 89.A N ALA 85.A O no hydrogen 2.941 N/A MET 90.A N HIS 86.A O no hydrogen 2.956 N/A ALA 91.A N GLN 87.A O no hydrogen 3.073 N/A ILE 92.A N CYS 88.A O no hydrogen 3.003 N/A LEU 93.A N VAL 89.A O no hydrogen 2.956 N/A GLU 94.A N MET 90.A O no hydrogen 2.917 N/A LYS 95.A N ALA 91.A O no hydrogen 3.196 N/A LEU 96.A N LEU 93.A O no hydrogen 3.155 N/A SER 98.A OG LYS 95.A O no hydrogen 2.929 N/A ILE 99.A N LYS 95.A O no hydrogen 2.936 N/A LYS 100.A N LEU 96.A O no hydrogen 2.914 N/A LYS 100.A NZ ASP 19.A OD2 no hydrogen 2.774 N/A ARG 101.A N PRO 97.A O no hydrogen 3.115 N/A THR 102.A N SER 98.A O no hydrogen 2.958 N/A THR 102.A OG1 SER 98.A O no hydrogen 3.038 N/A LEU 103.A N ILE 99.A O no hydrogen 2.735 N/A LYS 104.A N LYS 100.A O no hydrogen 3.114 N/A LYS 104.A NZ ASP 19.A OD1 no hydrogen 2.981 N/A LYS 104.A NZ GLU 20.A OE1 no hydrogen 2.808 N/A THR 105.A N ARG 101.A O no hydrogen 3.332 N/A THR 105.A OG1 THR 102.A O no hydrogen 2.606 N/A ASP 106.A N THR 102.A O no hydrogen 2.970 N/A LEU 107.A N LEU 103.A O no hydrogen 3.051 N/A ILE 108.A N LYS 104.A O no hydrogen 3.036 N/A ALA 109.A N THR 105.A O no hydrogen 2.908 N/A ALA 110.A N ASP 106.A O no hydrogen 2.880 N/A TYR 111.A N LEU 107.A O no hydrogen 2.925 N/A ALA 112.A N ILE 108.A O no hydrogen 2.889 N/A GLY 113.A N ALA 109.A O no hydrogen 2.923 N/A GLY 113.A N ALA 110.A O no hydrogen 3.309 N/A ASP 114.A N TYR 111.A O no hydrogen 3.413 N/A ALA 116.A N ASP 114.A OD1 no hydrogen 2.982 N/A ALA 117.A N ASP 114.A O no hydrogen 3.048 N/A LEU 122.A N GLY 119.A O no hydrogen 3.307 N/A ILE 124.A N LEU 120.A O no hydrogen 2.912 N/A ARG 125.A N SER 121.A O no hydrogen 2.994 N/A ARG 125.A NH1 PRO 30.A O no hydrogen 3.336 N/A ARG 125.A NH1 PHE 49.A O no hydrogen 2.868 N/A ARG 125.A NH2 PRO 30.A O no hydrogen 2.839 N/A CYS 126.A N LEU 122.A O no hydrogen 3.010 N/A CYS 126.A SG LEU 122.A O no hydrogen 3.386 N/A TYR 127.A N ILE 123.A O no hydrogen 3.052 N/A TYR 127.A OH ASP 114.A OD2 no hydrogen 2.651 N/A GLN 131.A N TYR 127.A O no hydrogen 3.050 N/A GLN 131.A NE2 ILE 124.A O no hydrogen 3.060 N/A GLN 131.A NE2 TYR 127.A O no hydrogen 3.275 N/A ALA 132.A N PRO 128.A O no hydrogen 2.993 N/A VAL 133.A N GLY 129.A O no hydrogen 3.106 N/A ILE 134.A N PHE 130.A O no hydrogen 3.058 N/A VAL 135.A N GLN 131.A O no hydrogen 3.407 N/A TYR 136.A N ALA 132.A O no hydrogen 2.770 N/A TYR 136.A OH ALA 170.A O no hydrogen 2.533 N/A ARG 137.A N VAL 133.A O no hydrogen 2.932 N/A ARG 137.A NE ASP 106.A OD2 no hydrogen 2.881 N/A ARG 137.A NH1 ILE 172.A O no hydrogen 2.764 N/A ARG 137.A NH2 ASP 106.A OD1 no hydrogen 3.015 N/A ARG 137.A NH2 ASP 106.A OD2 no hydrogen 3.158 N/A ARG 137.A NH2 LYS 173.A O no hydrogen 2.989 N/A ALA 139.A N VAL 135.A O no hydrogen 2.892 N/A HIS 140.A N TYR 136.A O no hydrogen 2.832 N/A HIS 140.A ND1 PRO 168.A O no hydrogen 2.842 N/A VAL 141.A N ILE 138.A O no hydrogen 2.964 N/A LEU 142.A N ILE 138.A O no hydrogen 3.395 N/A TYR 143.A N ALA 139.A O no hydrogen 3.051 N/A TYR 143.A OH GLU 188.A OE1 no hydrogen 2.600 N/A GLU 144.A N HIS 140.A O no hydrogen 2.799 N/A CYS 145.A N VAL 141.A O no hydrogen 3.070 N/A CYS 145.A N LEU 142.A O no hydrogen 3.022 N/A CYS 145.A SG CYS 88.A O no hydrogen 4.001 N/A CYS 145.A SG VAL 141.A O no hydrogen 3.188 N/A GLY 146.A N TYR 143.A O no hydrogen 2.828 N/A GLU 147.A N LEU 142.A O no hydrogen 3.193 N/A ARG 148.A NH1 TYR 143.A O no hydrogen 2.994 N/A ARG 148.A NH1 GLU 147.A O no hydrogen 2.832 N/A TYR 149.A N GLU 147.A OE2 no hydrogen 2.974 N/A TYR 150.A N GLU 147.A OE2 no hydrogen 2.777 N/A TYR 150.A OH GLU 37.A OE2 no hydrogen 2.672 N/A CYS 151.A N GLU 147.A OE1 no hydrogen 2.845 N/A CYS 151.A SG GLU 147.A O no hydrogen 3.334 N/A CYS 151.A SG GLU 147.A OE1 no hydrogen 3.408 N/A ARG 152.A NE GLU 156.A OE2 no hydrogen 2.880 N/A ARG 152.A NH2 GLU 156.A OE2 no hydrogen 3.275 N/A GLU 153.A N TYR 149.A O no hydrogen 3.077 N/A MET 154.A N TYR 150.A O no hydrogen 2.823 N/A MET 155.A N CYS 151.A O no hydrogen 3.266 N/A GLU 156.A N ARG 152.A O no hydrogen 2.907 N/A SER 157.A N GLU 153.A O no hydrogen 3.121 N/A VAL 158.A N MET 154.A O no hydrogen 3.311 N/A HIS 159.A N MET 155.A O no hydrogen 2.761 N/A SER 160.A N GLU 156.A O no hydrogen 2.960 N/A SER 160.A OG GLU 156.A O no hydrogen 3.183 N/A TYR 161.A N SER 157.A O no hydrogen 3.030 N/A THR 162.A N VAL 158.A O no hydrogen 2.938 N/A THR 162.A OG1 VAL 158.A O no hydrogen 2.771 N/A SER 163.A N HIS 159.A O no hydrogen 2.812 N/A ILE 164.A N THR 162.A OG1 no hydrogen 3.169 N/A ASP 165.A N VAL 184.A O no hydrogen 2.831 N/A HIS 167.A N ILE 186.A O no hydrogen 2.866 N/A ALA 170.A N HIS 167.A O no hydrogen 2.973 N/A SER 171.A N ALA 190.A O no hydrogen 2.994 N/A LYS 173.A N ILE 192.A O no hydrogen 2.943 N/A GLY 174.A N GLU 194.A OE2 no hydrogen 3.119 N/A HIS 175.A N THR 105.A OG1 no hydrogen 2.909 N/A PHE 176.A N ASP 106.A OD1 no hydrogen 2.883 N/A PHE 177.A N CYS 196.A O no hydrogen 3.001 N/A ASP 179.A N ILE 198.A O no hydrogen 2.818 N/A GLY 183.A N SER 163.A O no hydrogen 3.067 N/A VAL 184.A N GLY 181.A O no hydrogen 3.013 N/A VAL 185.A N VAL 202.A O no hydrogen 2.896 N/A ILE 186.A N ASP 165.A O no hydrogen 2.788 N/A GLY 187.A N LEU 204.A O no hydrogen 2.934 N/A ALA 190.A N GLY 187.A O no hydrogen 3.093 N/A ILE 191.A N PRO 224.A O no hydrogen 3.079 N/A ILE 192.A N SER 171.A O no hydrogen 2.770 N/A GLY 193.A N VAL 226.A O no hydrogen 2.947 N/A GLU 194.A N ASP 228.A OD1 no hydrogen 2.864 N/A TRP 195.A N GLY 174.A O no hydrogen 3.109 N/A CYS 196.A SG VAL 230.A O no hydrogen 3.821 N/A ARG 197.A N VAL 230.A O no hydrogen 2.948 N/A ILE 198.A N PHE 177.A O no hydrogen 2.817 N/A TYR 199.A N ILE 232.A O no hydrogen 3.233 N/A GLN 200.A N GLN 200.A OE1 no hydrogen 2.677 N/A SER 201.A N VAL 182.A O no hydrogen 2.787 N/A THR 203.A N ALA 236.A O no hydrogen 3.000 N/A LEU 204.A N VAL 185.A O no hydrogen 2.718 N/A GLY 205.A N VAL 238.A O no hydrogen 3.006 N/A LYS 217.A NZ THR 220.A OG1 no hydrogen 2.378 N/A ARG 218.A NH1 ILE 216.A O no hydrogen 2.891 N/A THR 220.A OG1 GLY 219.A O no hydrogen 2.559 N/A LYS 221.A NZ THR 189.A O no hydrogen 2.703 N/A LYS 221.A NZ HIS 223.A O no hydrogen 2.813 N/A LYS 221.A NZ PRO 224.A O no hydrogen 3.349 N/A LYS 221.A NZ THR 225.A OG1 no hydrogen 2.813 N/A ARG 222.A N THR 189.A OG1 no hydrogen 2.946 N/A ARG 222.A NH1 THR 220.A O no hydrogen 2.910 N/A ARG 222.A NH2 GLU 188.A OE2 no hydrogen 2.897 N/A HIS 223.A N THR 189.A OG1 no hydrogen 3.053 N/A THR 225.A N ILE 242.A O no hydrogen 2.826 N/A VAL 226.A N ILE 191.A O no hydrogen 2.733 N/A GLY 227.A N VAL 244.A O no hydrogen 2.906 N/A ASP 228.A N SER 246.A OG no hydrogen 2.862 N/A TYR 229.A N GLU 194.A O no hydrogen 2.956 N/A THR 231.A N VAL 248.A O no hydrogen 2.971 N/A ILE 232.A N ARG 197.A O no hydrogen 2.900 N/A GLY 233.A N ILE 250.A O no hydrogen 2.811 N/A GLY 235.A N GLN 200.A O no hydrogen 3.168 N/A ALA 236.A N GLY 233.A O no hydrogen 3.204 N/A LYS 237.A N CYS 254.A O no hydrogen 2.663 N/A LYS 237.A NZ GLY 235.A O no hydrogen 2.591 N/A VAL 238.A N THR 203.A O no hydrogen 2.806 N/A LEU 239.A N ILE 256.A O no hydrogen 2.921 N/A GLY 240.A N GLY 205.A O no hydrogen 2.893 N/A ILE 242.A N GLY 240.A O no hydrogen 2.807 N/A ILE 243.A N ASP 259.A OD1 no hydrogen 2.827 N/A VAL 244.A N THR 225.A O no hydrogen 2.684 N/A GLY 245.A N VAL 260.A O no hydrogen 2.828 N/A SER 246.A N SER 262.A OG no hydrogen 2.824 N/A HIS 247.A N ASP 228.A O no hydrogen 2.759 N/A ARG 249.A N GLN 264.A O no hydrogen 2.826 N/A ILE 250.A N THR 231.A O no hydrogen 2.825 N/A GLY 251.A N VAL 266.A O no hydrogen 2.881 N/A ASN 253.A N THR 234.A O no hydrogen 2.723 N/A CYS 254.A SG GLY 251.A O no hydrogen 3.527 N/A CYS 254.A SG ALA 252.A O no hydrogen 3.976 N/A CYS 254.A SG VAL 266.A O no hydrogen 4.010 N/A ILE 256.A N LYS 237.A O no hydrogen 2.837 N/A ARG 258.A NH2 ASP 259.A OD1 no hydrogen 2.904 N/A VAL 260.A N ILE 243.A O no hydrogen 2.982 N/A SER 262.A OG SER 246.A O no hydrogen 3.526 N/A ASN 263.A N SER 246.A O no hydrogen 2.915 N/A GLN 264.A N HIS 247.A O no hydrogen 3.291 N/A VAL 266.A N ARG 249.A O no hydrogen 2.872 N/A