Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4hct_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLY 1.A O no hydrogen 2.946 N/A ILE 5.A N VAL 71.A O no hydrogen 2.838 N/A ASP 6.A N GLU 9.A OE1 no hydrogen 2.985 N/A GLU 9.A N ASP 6.A O no hydrogen 2.897 N/A LEU 10.A N PRO 7.A O no hydrogen 3.115 N/A THR 11.A N TYR 28.A O no hydrogen 3.067 N/A VAL 13.A N LEU 26.A O no hydrogen 2.753 N/A GLN 14.A N LEU 26.A O no hydrogen 3.345 N/A ILE 16.A N VAL 24.A O no hydrogen 2.741 N/A GLY 17.A N VAL 24.A O no hydrogen 3.188 N/A GLY 19.A N GLY 22.A O no hydrogen 2.794 N/A VAL 24.A N GLY 17.A O no hydrogen 2.837 N/A HIS 25.A N ILE 37.A O no hydrogen 2.813 N/A LEU 26.A N GLN 14.A O no hydrogen 2.759 N/A GLY 27.A N VAL 35.A O no hydrogen 2.927 N/A TYR 28.A N THR 11.A O no hydrogen 3.101 N/A TRP 29.A N ASP 33.A O no hydrogen 2.907 N/A LEU 30.A N GLU 9.A O no hydrogen 2.881 N/A LYS 32.A N TRP 29.A O no hydrogen 2.992 N/A LYS 34.A N ASP 33.A OD1 no hydrogen 3.146 N/A VAL 35.A N GLY 27.A O no hydrogen 2.834 N/A ALA 36.A N PHE 82.A O no hydrogen 2.933 N/A ILE 37.A N HIS 25.A O no hydrogen 2.793 N/A LYS 38.A N LEU 80.A O no hydrogen 2.864 N/A LYS 38.A NZ GLN 20.A O no hydrogen 2.820 N/A THR 39.A N LEU 23.A O no hydrogen 2.965 N/A THR 39.A OG1 LEU 23.A O no hydrogen 3.345 N/A ILE 40.A N ILE 78.A O no hydrogen 3.118 N/A ARG 41.A N PHE 21.A O no hydrogen 2.966 N/A ARG 41.A NH1 GLU 42.A O no hydrogen 3.146 N/A ALA 44.A N ARG 41.A O no hydrogen 3.331 N/A SER 46.A N PHE 153.A O no hydrogen 2.811 N/A ASP 49.A N SER 46.A OG no hydrogen 3.262 N/A PHE 50.A N SER 46.A O no hydrogen 3.050 N/A ILE 51.A N GLU 47.A O no hydrogen 2.827 N/A GLU 52.A N GLU 48.A O no hydrogen 3.084 N/A GLU 53.A N ASP 49.A O no hydrogen 3.268 N/A GLU 53.A N PHE 50.A O no hydrogen 3.005 N/A ALA 54.A N ILE 51.A O no hydrogen 3.434 N/A MET 57.A N GLU 53.A O no hydrogen 2.965 N/A MET 58.A N ALA 54.A O no hydrogen 2.945 N/A LYS 59.A N VAL 56.A O no hydrogen 3.082 N/A LEU 60.A N MET 57.A O no hydrogen 3.114 N/A SER 61.A N LYS 59.A O no hydrogen 2.900 N/A SER 61.A OG GLN 67.A OE1 no hydrogen 3.351 N/A LYS 64.A N HIS 62.A ND1 no hydrogen 2.910 N/A LYS 64.A NZ GLU 115.A OE1 no hydrogen 3.109 N/A LEU 65.A N HIS 62.A O no hydrogen 2.948 N/A VAL 66.A N VAL 145.A O no hydrogen 2.806 N/A GLN 67.A N GLU 83.A OE1 no hydrogen 3.087 N/A GLN 67.A NE2 MET 58.A O no hydrogen 2.881 N/A GLN 67.A NE2 LEU 68.A O no hydrogen 2.997 N/A TYR 69.A N VAL 81.A O no hydrogen 2.753 N/A VAL 71.A N TRP 3.A O no hydrogen 2.908 N/A CYS 72.A N CYS 79.A O no hydrogen 2.808 N/A CYS 72.A SG ILE 5.A O no hydrogen 3.472 N/A CYS 79.A N CYS 72.A O no hydrogen 2.921 N/A CYS 79.A SG PRO 77.A O no hydrogen 4.026 N/A LEU 80.A N LYS 38.A O no hydrogen 2.902 N/A VAL 81.A N GLY 70.A O no hydrogen 2.968 N/A PHE 82.A N ALA 36.A O no hydrogen 2.821 N/A GLU 83.A N GLN 67.A O no hydrogen 2.977 N/A HIS 87.A N VAL 137.A O no hydrogen 2.933 N/A GLY 88.A N MET 85.A O no hydrogen 3.258 N/A CYS 89.A SG SER 91.A OG no hydrogen 3.485 N/A LEU 90.A N CYS 135.A O no hydrogen 2.745 N/A TYR 93.A N CYS 89.A O no hydrogen 3.013 N/A LEU 94.A N LEU 90.A O no hydrogen 2.888 N/A ARG 95.A N SER 91.A O no hydrogen 3.019 N/A ARG 95.A NE GLY 202.A O no hydrogen 2.687 N/A THR 96.A N ASP 92.A O no hydrogen 2.986 N/A THR 96.A OG1 ASP 92.A O no hydrogen 2.888 N/A THR 96.A OG1 TYR 93.A O no hydrogen 3.510 N/A GLN 97.A N LEU 94.A O no hydrogen 3.059 N/A ARG 98.A NE GLU 201.A O no hydrogen 2.790 N/A GLY 99.A N GLU 201.A OE2 no hydrogen 2.807 N/A LEU 100.A N GLN 97.A O no hydrogen 3.045 N/A LEU 106.A N ALA 102.A O no hydrogen 3.053 N/A LEU 107.A N ALA 103.A O no hydrogen 2.786 N/A GLY 108.A N GLU 104.A O no hydrogen 2.936 N/A MET 109.A N THR 105.A O no hydrogen 2.999 N/A CYS 110.A N LEU 106.A O no hydrogen 3.149 N/A CYS 110.A SG LEU 106.A O no hydrogen 3.578 N/A LEU 111.A N LEU 107.A O no hydrogen 2.824 N/A ASP 112.A N GLY 108.A O no hydrogen 3.017 N/A VAL 113.A N MET 109.A O no hydrogen 3.203 N/A CYS 114.A N CYS 110.A O no hydrogen 2.817 N/A CYS 114.A SG PHE 252.A O no hydrogen 3.763 N/A GLU 115.A N LEU 111.A O no hydrogen 2.927 N/A GLY 116.A N ASP 112.A O no hydrogen 3.181 N/A MET 117.A N VAL 113.A O no hydrogen 2.877 N/A ALA 118.A N CYS 114.A O no hydrogen 2.793 N/A TYR 119.A N GLU 115.A O no hydrogen 3.111 N/A LEU 120.A N GLY 116.A O no hydrogen 3.057 N/A GLU 121.A N MET 117.A O no hydrogen 2.856 N/A GLU 122.A N ALA 118.A O no hydrogen 2.994 N/A ALA 123.A N TYR 119.A O no hydrogen 3.079 N/A CYS 124.A N GLU 121.A O no hydrogen 3.018 N/A CYS 124.A SG GLU 122.A O no hydrogen 4.038 N/A VAL 125.A N LEU 120.A O no hydrogen 2.893 N/A HIS 127.A N ASP 187.A OD2 no hydrogen 2.731 N/A HIS 127.A NE2 SER 146.A O no hydrogen 2.881 N/A ARG 128.A N ASP 187.A OD1 no hydrogen 3.010 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 2.957 N/A ALA 131.A N ASN 134.A OD1 no hydrogen 3.320 N/A ALA 132.A N GLU 197.A OE1 no hydrogen 2.895 N/A ARG 133.A NH1 ASP 129.A OD1 no hydrogen 3.523 N/A ARG 133.A NH1 ASP 129.A OD2 no hydrogen 2.986 N/A ARG 133.A NH2 ASP 129.A OD1 no hydrogen 2.892 N/A ASN 134.A N ALA 131.A O no hydrogen 3.042 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.811 N/A CYS 135.A N ALA 132.A O no hydrogen 3.152 N/A CYS 135.A SG ALA 131.A O no hydrogen 3.535 N/A LEU 136.A N LYS 144.A O no hydrogen 2.837 N/A VAL 137.A N GLY 88.A O no hydrogen 2.770 N/A GLY 138.A N VAL 142.A O no hydrogen 2.814 N/A GLN 141.A NE2 TYR 93.A OH no hydrogen 2.752 N/A VAL 142.A N GLU 139.A O no hydrogen 3.153 N/A ILE 143.A N ASP 112.A OD2 no hydrogen 2.948 N/A LYS 144.A N LEU 136.A O no hydrogen 2.821 N/A LYS 144.A NZ PRO 63.A O no hydrogen 3.133 N/A LYS 144.A NZ GLU 83.A OE2 no hydrogen 2.729 N/A VAL 145.A N LYS 64.A O no hydrogen 2.867 N/A SER 146.A N ASN 134.A O no hydrogen 3.104 N/A SER 146.A OG ASN 134.A O no hydrogen 2.581 N/A GLY 149.A N HIS 127.A O no hydrogen 2.839 N/A MET 150.A N ASP 147.A O no hydrogen 3.093 N/A ARG 152.A N GLY 149.A O no hydrogen 3.187 N/A ARG 152.A NE GLY 149.A O no hydrogen 2.939 N/A ARG 152.A NH1 GLU 53.A OE1 no hydrogen 3.549 N/A PHE 153.A N MET 150.A O no hydrogen 3.048 N/A VAL 154.A N THR 151.A O no hydrogen 3.305 N/A LEU 155.A N ALA 44.A O no hydrogen 3.016 N/A GLN 158.A N ASP 156.A OD1 no hydrogen 2.922 N/A TYR 159.A N ASP 156.A O no hydrogen 2.946 N/A SER 161.A N ASP 157.A O no hydrogen 3.196 N/A SER 162.A OG PHE 177.A O no hydrogen 3.315 N/A THR 163.A N SER 161.A OG no hydrogen 3.394 N/A GLY 164.A N SER 161.A O no hydrogen 2.874 N/A THR 165.A N GLN 158.A OE1 no hydrogen 2.903 N/A THR 165.A OG1 GLN 158.A OE1 no hydrogen 3.002 N/A LYS 166.A N GLN 158.A O no hydrogen 2.859 N/A PHE 167.A N GLY 164.A O no hydrogen 3.231 N/A VAL 169.A N PHE 167.A O no hydrogen 2.788 N/A TRP 171.A N PRO 168.A O no hydrogen 3.105 N/A TRP 171.A NE1 GLU 197.A OE1 no hydrogen 2.901 N/A ALA 172.A N VAL 169.A O no hydrogen 3.008 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.791 N/A VAL 176.A N SER 173.A O no hydrogen 2.962 N/A VAL 176.A N SER 173.A OG no hydrogen 3.414 N/A PHE 177.A N SER 173.A O no hydrogen 2.891 N/A SER 178.A N PRO 174.A O no hydrogen 2.847 N/A SER 178.A OG PRO 174.A O no hydrogen 2.735 N/A PHE 179.A N GLU 175.A O no hydrogen 2.941 N/A SER 180.A N VAL 176.A O no hydrogen 2.864 N/A ARG 181.A N GLU 175.A O no hydrogen 3.110 N/A ARG 181.A NH1 TYR 182.A O no hydrogen 3.381 N/A TYR 182.A N SER 180.A O no hydrogen 3.132 N/A SER 183.A N SER 186.A OG no hydrogen 2.892 N/A LYS 185.A NZ PRO 246.A O no hydrogen 3.320 N/A LYS 185.A NZ ARG 249.A O no hydrogen 2.772 N/A SER 186.A N SER 183.A OG no hydrogen 3.068 N/A SER 186.A OG SER 183.A O no hydrogen 2.922 N/A ASP 187.A N SER 183.A O no hydrogen 3.118 N/A VAL 188.A N SER 184.A O no hydrogen 2.917 N/A TRP 189.A N LYS 185.A O no hydrogen 3.278 N/A SER 190.A N SER 186.A O no hydrogen 3.166 N/A SER 190.A OG TRP 171.A O no hydrogen 2.768 N/A SER 190.A OG SER 186.A O no hydrogen 3.325 N/A PHE 191.A N ASP 187.A O no hydrogen 2.819 N/A GLY 192.A N VAL 188.A O no hydrogen 2.955 N/A VAL 193.A N TRP 189.A O no hydrogen 3.153 N/A LEU 194.A N SER 190.A O no hydrogen 2.847 N/A MET 195.A N PHE 191.A O no hydrogen 2.812 N/A TRP 196.A N GLY 192.A O no hydrogen 3.086 N/A TRP 196.A NE1 TYR 225.A O no hydrogen 2.759 N/A GLU 197.A N VAL 193.A O no hydrogen 2.841 N/A VAL 198.A N LEU 194.A O no hydrogen 2.878 N/A PHE 199.A N MET 195.A O no hydrogen 2.838 N/A SER 200.A N TRP 196.A O no hydrogen 2.913 N/A SER 200.A OG TRP 196.A O no hydrogen 2.871 N/A SER 200.A OG GLU 197.A O no hydrogen 3.092 N/A GLU 201.A N VAL 198.A O no hydrogen 2.921 N/A GLY 202.A N GLU 197.A O no hydrogen 2.745 N/A LYS 203.A N SER 200.A OG no hydrogen 3.156 N/A LYS 203.A NZ TYR 225.A OH no hydrogen 3.347 N/A ARG 209.A N TYR 206.A O no hydrogen 3.087 N/A ARG 209.A NE ASP 217.A OD2 no hydrogen 2.736 N/A ARG 209.A NH2 ASP 217.A OD1 no hydrogen 2.898 N/A ARG 209.A NH2 ASP 217.A OD2 no hydrogen 3.360 N/A SER 210.A N GLU 213.A OE1 no hydrogen 2.876 N/A SER 210.A OG SER 212.A OG no hydrogen 3.139 N/A ASN 211.A ND2 PHE 167.A O no hydrogen 3.585 N/A SER 212.A OG SER 210.A OG no hydrogen 3.139 N/A GLU 213.A N SER 210.A OG no hydrogen 3.099 N/A VAL 214.A N SER 210.A O no hydrogen 2.876 N/A VAL 215.A N ASN 211.A O no hydrogen 3.096 N/A GLU 216.A N SER 212.A O no hydrogen 3.180 N/A ASP 217.A N GLU 213.A O no hydrogen 2.854 N/A ILE 218.A N VAL 214.A O no hydrogen 2.812 N/A SER 219.A N VAL 215.A O no hydrogen 2.998 N/A SER 219.A OG VAL 215.A O no hydrogen 2.631 N/A THR 220.A N GLU 216.A O no hydrogen 3.083 N/A THR 220.A N ASP 217.A O no hydrogen 3.107 N/A THR 220.A OG1 GLU 216.A O no hydrogen 2.745 N/A THR 220.A OG1 ASP 217.A O no hydrogen 3.207 N/A GLY 221.A N ILE 218.A O no hydrogen 3.053 N/A PHE 222.A N ASP 217.A O no hydrogen 2.926 N/A ARG 223.A NE TRP 242.A O no hydrogen 2.972 N/A ARG 223.A NH1 ILE 218.A O no hydrogen 3.059 N/A ARG 223.A NH1 PHE 222.A O no hydrogen 2.871 N/A ARG 223.A NH2 TRP 242.A O no hydrogen 2.898 N/A LYS 226.A NZ PRO 227.A O no hydrogen 3.344 N/A LYS 226.A NZ ALA 230.A O no hydrogen 2.763 N/A ALA 230.A N PRO 227.A O no hydrogen 2.981 N/A VAL 234.A N SER 231.A OG no hydrogen 3.042 N/A TYR 235.A N SER 231.A O no hydrogen 2.919 N/A TYR 235.A OH LEU 224.A O no hydrogen 2.599 N/A GLN 236.A N THR 232.A O no hydrogen 2.893 N/A ILE 237.A N HIS 233.A O no hydrogen 3.158 N/A MET 238.A N VAL 234.A O no hydrogen 3.045 N/A ASN 239.A N TYR 235.A O no hydrogen 2.983 N/A ASN 239.A ND2 TYR 235.A O no hydrogen 3.024 N/A HIS 240.A N GLN 236.A O no hydrogen 2.972 N/A CYS 241.A N ILE 237.A O no hydrogen 3.093 N/A CYS 241.A SG ILE 237.A O no hydrogen 3.525 N/A TRP 242.A N MET 238.A O no hydrogen 3.275 N/A TRP 242.A N ASN 239.A O no hydrogen 3.124 N/A ARG 243.A N HIS 240.A O no hydrogen 3.406 N/A ARG 243.A NH1 ASP 248.A O no hydrogen 3.035 N/A ASP 248.A N ARG 245.A O no hydrogen 3.052 N/A ARG 249.A N PRO 246.A O no hydrogen 3.067 N/A ARG 249.A NE ARG 243.A O no hydrogen 2.835 N/A ARG 249.A NH1 GLU 175.A OE2 no hydrogen 2.835 N/A ARG 249.A NH1 LYS 185.A O no hydrogen 2.952 N/A ARG 249.A NH2 GLU 175.A OE1 no hydrogen 2.869 N/A ARG 249.A NH2 ARG 243.A O no hydrogen 3.187 N/A ARG 249.A NH2 GLU 244.A O no hydrogen 3.056 N/A PHE 252.A N GLU 121.A OE2 no hydrogen 2.817 N/A SER 253.A N GLU 121.A OE1 no hydrogen 3.043 N/A LEU 255.A N ALA 251.A O no hydrogen 2.885 N/A LEU 256.A N PHE 252.A O no hydrogen 2.832 N/A GLN 258.A N ARG 254.A O no hydrogen 2.969 N/A LEU 259.A N LEU 255.A O no hydrogen 2.804 N/A ALA 260.A N LEU 256.A O no hydrogen 3.045 N/A GLU 261.A N ARG 257.A O no hydrogen 2.921 N/A ILE 262.A N GLN 258.A O no hydrogen 3.386 N/A ALA 263.A N LEU 259.A O no hydrogen 2.879 N/A GLU 264.A N ALA 260.A O no hydrogen 2.636 N/A SER 265.A N GLU 261.A O no hydrogen 2.966 N/A SER 265.A OG GLU 261.A O no hydrogen 2.519 N/A