Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hlx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N ASN 204.A OD1 no hydrogen 2.955 N/A LEU 6.A N GLN 203.A OE1 no hydrogen 2.962 N/A GLN 9.A N GLN 9.A OE1 no hydrogen 2.881 N/A ALA 10.A N SER 7.A OG no hydrogen 3.063 N/A PHE 11.A N SER 7.A O no hydrogen 2.813 N/A GLU 12.A N PRO 8.A O no hydrogen 3.042 N/A GLU 13.A N GLN 9.A O no hydrogen 3.385 N/A ALA 14.A N ALA 10.A O no hydrogen 3.109 N/A LEU 15.A N PHE 11.A O no hydrogen 3.006 N/A ARG 16.A N GLU 12.A O no hydrogen 2.952 N/A ARG 16.A NE GLU 12.A OE2 no hydrogen 2.907 N/A ARG 16.A NH2 GLU 12.A OE2 no hydrogen 3.177 N/A ALA 17.A N GLU 13.A O no hydrogen 2.952 N/A LYS 18.A N LEU 15.A O no hydrogen 3.085 N/A LYS 18.A NZ GLN 211.A OE1 no hydrogen 2.693 N/A GLY 19.A N ARG 16.A O no hydrogen 3.029 N/A ASP 20.A N ALA 17.A O no hydrogen 3.201 N/A PHE 21.A N LYS 18.A O no hydrogen 3.001 N/A TYR 22.A N GLY 19.A O no hydrogen 3.010 N/A HIS 25.A N TYR 22.A O no hydrogen 3.043 N/A HIS 26.A N HIS 23.A O no hydrogen 3.071 N/A HIS 26.A NE2 ASP 222.A OD1 no hydrogen 2.818 N/A TYR 28.A N HIS 26.A ND1 no hydrogen 3.012 N/A TYR 28.A OH GLN 41.A O no hydrogen 2.753 N/A HIS 29.A ND1.A ILE 24.A O no hydrogen 3.044 N/A ILE 30.A N HIS 26.A O no hydrogen 3.022 N/A ALA 31.A N PRO 27.A O no hydrogen 2.887 N/A MET 32.A N TYR 28.A O no hydrogen 3.204 N/A HIS 33.A N HIS 29.A O no hydrogen 2.854 N/A ASN 34.A N ILE 30.A O no hydrogen 2.894 N/A GLY 35.A N MET 32.A O no hydrogen 3.251 N/A ASN 36.A N ALA 31.A O no hydrogen 2.865 N/A ASN 36.A N ASN 34.A OD1.B no hydrogen 3.214 N/A ALA 37.A N TYR 164.A OH no hydrogen 3.335 N/A THR 38.A N GLN 41.A OE1 no hydrogen 3.001 N/A GLN 41.A N THR 38.A OG1 no hydrogen 2.987 N/A GLN 41.A NE2 TYR 228.A O no hydrogen 2.986 N/A ILE 42.A N THR 38.A O no hydrogen 2.927 N/A GLN 43.A N ARG 39.A O no hydrogen 2.835 N/A GLN 43.A NE2 VAL 103.A O no hydrogen 2.949 N/A GLY 44.A N GLU 40.A O no hydrogen 2.887 N/A TRP 45.A N GLN 41.A O no hydrogen 3.008 N/A VAL 46.A N ILE 42.A O no hydrogen 2.939 N/A ALA 47.A N GLN 43.A O no hydrogen 2.924 N/A ASN 48.A N GLY 44.A O no hydrogen 2.957 N/A ASN 48.A ND2 GLY 44.A O no hydrogen 2.922 N/A ASN 48.A ND2 HIS 115.A O no hydrogen 3.391 N/A ARG 49.A N TRP 45.A O no hydrogen 2.808 N/A PHE 50.A N VAL 46.A O no hydrogen 3.118 N/A TYR 51.A N ASN 48.A O no hydrogen 3.010 N/A TYR 51.A OH ASP 125.A OD1 no hydrogen 2.741 N/A GLN 53.A N ARG 49.A O no hydrogen 2.956 N/A THR 54.A N PHE 50.A O no hydrogen 2.923 N/A THR 54.A OG1 PHE 50.A O no hydrogen 2.991 N/A THR 54.A OG1 TYR 51.A O no hydrogen 3.358 N/A THR 55.A N TYR 51.A O no hydrogen 3.228 N/A THR 55.A N TYR 52.A O no hydrogen 3.007 N/A THR 55.A OG1 TYR 51.A O no hydrogen 2.767 N/A ILE 56.A N TYR 52.A O no hydrogen 3.094 N/A LYS 59.A N THR 55.A O no hydrogen 2.911 N/A LYS 59.A NZ ASP 60.A OD1 no hydrogen 2.770 N/A LYS 59.A NZ TYR 127.A OH no hydrogen 3.272 N/A ASP 60.A N ILE 56.A O no hydrogen 2.881 N/A ALA 61.A N PRO 57.A O no hydrogen 2.930 N/A ALA 62.A N LEU 58.A O no hydrogen 2.916 N/A ILE 63.A N LYS 59.A O no hydrogen 3.014 N/A MET 64.A N ASP 60.A O no hydrogen 3.014 N/A ALA 65.A N ALA 61.A O no hydrogen 2.920 N/A ASN 66.A N ILE 63.A O no hydrogen 3.072 N/A ASN 66.A ND2 ALA 131.A O no hydrogen 3.338 N/A ASN 66.A ND2 ARG 132.A O no hydrogen 2.941 N/A ASN 66.A ND2 ALA 134.A O no hydrogen 3.692 N/A CYS 67.A N MET 64.A O no hydrogen 3.079 N/A CYS 67.A SG ASP 69.A O no hydrogen 3.749 N/A THR 72.A N ASP 69.A OD2 no hydrogen 3.083 N/A THR 72.A OG1 ASP 69.A OD2 no hydrogen 2.700 N/A ARG 73.A N ASP 69.A O no hydrogen 3.089 N/A ARG 73.A NH1 CYS 67.A O no hydrogen 2.847 N/A ARG 74.A N ALA 70.A O no hydrogen 2.895 N/A LYS 75.A N GLN 71.A O no hydrogen 3.443 N/A TRP 76.A N THR 72.A O no hydrogen 2.896 N/A TRP 76.A NE1 ASP 60.A OD1 no hydrogen 2.843 N/A VAL 77.A N ARG 73.A O no hydrogen 3.101 N/A GLN 78.A N LYS 75.A O no hydrogen 3.164 N/A GLN 78.A NE2 ASP 82.A OD1 no hydrogen 2.954 N/A ARG 79.A N TRP 76.A O no hydrogen 2.965 N/A ARG 79.A NH1 GLU 146.A OE1 no hydrogen 2.971 N/A LEU 81.A N VAL 77.A O no hydrogen 3.046 N/A ASP 82.A N GLN 78.A O no hydrogen 2.797 N/A HIS 83.A N ARG 79.A O no hydrogen 3.252 N/A ASP 84.A N ILE 80.A O no hydrogen 2.825 N/A GLY 85.A N LEU 81.A O no hydrogen 2.812 N/A SER 86.A OG LEU 81.A O no hydrogen 3.440 N/A GLY 92.A N ASP 82.A O no hydrogen 2.885 N/A ILE 93.A N HIS 83.A O no hydrogen 2.998 N/A ALA 95.A N GLY 91.A O no hydrogen 3.071 N/A TRP 96.A N GLY 92.A O no hydrogen 2.886 N/A TRP 96.A NE1 VAL 46.A O no hydrogen 2.963 N/A LEU 97.A N ILE 93.A O no hydrogen 3.034 N/A ARG 98.A N GLU 94.A O no hydrogen 2.986 N/A ARG 98.A NH1 ASP 90.A OD2 no hydrogen 1.899 N/A LEU 99.A N ALA 95.A O no hydrogen 3.032 N/A GLY 100.A N TRP 96.A O no hydrogen 2.899 N/A GLU 101.A N LEU 97.A O no hydrogen 2.960 N/A ALA 102.A N ARG 98.A O no hydrogen 2.910 N/A VAL 103.A N LEU 99.A O no hydrogen 3.170 N/A VAL 103.A N GLY 100.A O no hydrogen 3.230 N/A GLY 104.A N GLU 101.A O no hydrogen 3.224 N/A LEU 105.A N GLY 100.A O no hydrogen 2.889 N/A SER 106.A N ASP 109.A OD2 no hydrogen 3.027 N/A ARG 107.A NH1 GLU 94.A OE1 no hydrogen 2.904 N/A ARG 107.A NH2 GLU 94.A OE2 no hydrogen 3.071 N/A ASP 109.A N SER 106.A OG no hydrogen 2.973 N/A LEU 110.A N SER 106.A O no hydrogen 3.408 N/A LEU 111.A N ARG 107.A O no hydrogen 2.835 N/A SER 112.A N ASP 108.A O no hydrogen 2.896 N/A SER 112.A OG ASP 108.A O no hydrogen 3.060 N/A SER 112.A OG ASP 109.A O no hydrogen 3.490 N/A GLU 113.A N LEU 110.A O no hydrogen 3.017 N/A ARG 114.A N SER 112.A OG no hydrogen 3.237 N/A ARG 114.A NH1 ASP 108.A OD2 no hydrogen 3.093 N/A ARG 114.A NH2 ASP 108.A OD2 no hydrogen 2.885 N/A ARG 114.A NH2 ASP 109.A OD1 no hydrogen 3.115 N/A LEU 117.A N ASN 48.A OD1 no hydrogen 2.829 N/A ARG 121.A N LEU 117.A O no hydrogen 2.973 N/A PHE 122.A N PRO 118.A O no hydrogen 2.865 N/A ALA 123.A N GLY 119.A O no hydrogen 3.306 N/A VAL 124.A N VAL 120.A O no hydrogen 2.918 N/A ASP 125.A N ARG 121.A O no hydrogen 2.845 N/A ALA 126.A N PHE 122.A O no hydrogen 3.068 N/A TYR 127.A N VAL 124.A O no hydrogen 2.976 N/A LEU 128.A N VAL 124.A O no hydrogen 3.287 N/A ASN 129.A N ASP 125.A O no hydrogen 2.867 N/A PHE 130.A N ALA 126.A O no hydrogen 3.039 N/A ALA 131.A N TYR 127.A O no hydrogen 3.019 N/A ARG 132.A N LEU 128.A O no hydrogen 2.955 N/A ARG 133.A N ASN 129.A O no hydrogen 3.134 N/A ARG 133.A N PHE 130.A O no hydrogen 3.153 N/A ALA 134.A N PHE 130.A O no hydrogen 2.829 N/A CYS 135.A SG GLN 137.A OE1 no hydrogen 3.873 N/A CYS 135.A SG TYR 196.A OH no hydrogen 3.824 N/A GLN 137.A N GLN 137.A OE1 no hydrogen 2.853 N/A ALA 139.A N CYS 135.A O no hydrogen 3.051 N/A ALA 140.A N TRP 136.A O no hydrogen 2.788 N/A CYS 141.A N GLN 137.A O no hydrogen 2.994 N/A CYS 141.A SG GLN 137.A O no hydrogen 3.312 N/A CYS 141.A SG GLY 189.A O no hydrogen 3.981 N/A SER 142.A N GLU 138.A O no hydrogen 3.230 N/A SER 142.A OG ALA 139.A O no hydrogen 2.705 N/A SER 143.A N ALA 140.A O no hydrogen 3.225 N/A SER 143.A OG ALA 140.A O no hydrogen 2.730 N/A LEU 144.A N CYS 141.A O no hydrogen 3.054 N/A GLU 146.A N SER 143.A O no hydrogen 2.931 N/A LEU 147.A N LEU 144.A O no hydrogen 3.031 N/A PHE 148.A N THR 145.A O no hydrogen 2.911 N/A ALA 149.A N GLU 146.A O no hydrogen 3.272 N/A HIS 153.A N ALA 149.A O no hydrogen 2.947 N/A GLN 154.A N PRO 150.A O no hydrogen 2.916 N/A GLN 154.A NE2 GLN 154.A O no hydrogen 3.527 N/A GLN 154.A NE2 ASP 158.A OD1 no hydrogen 2.793 N/A SER 155.A N GLN 151.A O no hydrogen 3.023 N/A SER 155.A OG ILE 152.A O no hydrogen 2.611 N/A ARG 156.A N ILE 152.A O no hydrogen 3.231 N/A ARG 156.A N HIS 153.A O no hydrogen 3.166 N/A LEU 157.A N HIS 153.A O no hydrogen 3.144 N/A ASP 158.A N GLN 154.A O no hydrogen 2.887 N/A SER 159.A N SER 155.A O no hydrogen 3.062 N/A SER 159.A OG HIS 33.A ND1 no hydrogen 3.287 N/A SER 159.A OG SER 155.A O no hydrogen 2.894 N/A TRP 160.A N ARG 156.A O no hydrogen 2.945 N/A HIS 163.A N SER 159.A O no hydrogen 3.425 N/A TYR 164.A N TRP 160.A O no hydrogen 2.738 N/A TYR 164.A OH MET 32.A O no hydrogen 2.751 N/A ILE 167.A N TYR 164.A O no hydrogen 3.087 N/A LYS 168.A N ALA 102.A O no hydrogen 3.239 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.546 N/A GLY 171.A N LYS 168.A O no hydrogen 2.912 N/A TYR 172.A N GLU 169.A O no hydrogen 3.155 N/A PHE 173.A N GLU 170.A O no hydrogen 3.215 N/A ARG 176.A N TYR 172.A O no hydrogen 3.210 N/A SER 177.A N PHE 173.A O no hydrogen 2.924 N/A SER 177.A OG PHE 174.A O no hydrogen 2.651 N/A ARG 178.A N PHE 174.A O no hydrogen 3.086 N/A ARG 178.A NH1 GLN 181.A OE1 no hydrogen 2.780 N/A ARG 178.A NH2 ASP 185.A OD2 no hydrogen 3.459 N/A LEU 179.A N ARG 176.A O no hydrogen 3.208 N/A SER 180.A OG SER 177.A O no hydrogen 3.300 N/A GLN 181.A N SER 177.A O no hydrogen 3.303 N/A ALA 182.A N ARG 178.A O no hydrogen 2.953 N/A ARG 184.A N SER 180.A O no hydrogen 3.074 N/A ASP 185.A N GLN 181.A O no hydrogen 2.916 N/A VAL 186.A N ALA 182.A O no hydrogen 3.122 N/A GLU 187.A N ASN 183.A O no hydrogen 3.346 N/A GLU 187.A N ARG 184.A O no hydrogen 3.184 N/A HIS 188.A N ASP 185.A O no hydrogen 3.049 N/A GLY 189.A N ASP 185.A O no hydrogen 3.014 N/A LEU 190.A N VAL 186.A O no hydrogen 2.913 N/A LEU 192.A N HIS 188.A O no hydrogen 3.028 N/A ALA 193.A N GLY 189.A O no hydrogen 2.942 N/A LYS 194.A N LEU 190.A O no hydrogen 2.942 N/A LYS 194.A NZ GLU 12.A OE1 no hydrogen 2.785 N/A ALA 195.A N ALA 191.A O no hydrogen 3.080 N/A TYR 196.A N LEU 192.A O no hydrogen 2.945 N/A CYS 197.A N ALA 193.A O no hydrogen 2.882 N/A ASP 198.A N TYR 196.A O no hydrogen 3.024 N/A LYS 202.A N SER 199.A OG no hydrogen 3.143 N/A GLN 203.A N SER 199.A O no hydrogen 2.935 N/A GLN 203.A NE2 LEU 6.A O no hydrogen 2.952 N/A GLN 203.A NE2 CYS 197.A O no hydrogen 3.085 N/A ASN 204.A N ALA 200.A O no hydrogen 2.945 N/A ASN 204.A ND2 ILE 2.A O no hydrogen 2.887 N/A ARG 205.A N GLU 201.A O no hydrogen 3.094 N/A ARG 205.A NE GLU 138.A OE1 no hydrogen 3.414 N/A ARG 205.A NE GLU 138.A OE2 no hydrogen 2.730 N/A ARG 205.A NH2 GLU 138.A OE1 no hydrogen 2.863 N/A MET 206.A N LYS 202.A O no hydrogen 2.953 N/A LEU 207.A N GLN 203.A O no hydrogen 3.025 N/A GLU 208.A N ASN 204.A O no hydrogen 3.089 N/A ILE 209.A N ARG 205.A O no hydrogen 2.901 N/A LEU 210.A N MET 206.A O no hydrogen 2.870 N/A GLN 211.A N LEU 207.A O no hydrogen 2.985 N/A GLN 211.A NE2 ASP 215.A OD1 no hydrogen 3.132 N/A PHE 212.A N GLU 208.A O no hydrogen 2.907 N/A LYS 213.A N ILE 209.A O no hydrogen 3.090 N/A LYS 213.A NZ TYR 127.A OH no hydrogen 3.295 N/A LYS 213.A NZ SER 142.A O no hydrogen 3.026 N/A LYS 213.A NZ THR 145.A OG1 no hydrogen 2.751 N/A LEU 214.A N LEU 210.A O no hydrogen 2.943 N/A ASP 215.A N GLN 211.A O no hydrogen 2.861 N/A ILE 216.A N PHE 212.A O no hydrogen 3.052 N/A LEU 217.A N LYS 213.A O no hydrogen 3.245 N/A TRP 218.A N LEU 214.A O no hydrogen 3.010 N/A SER 219.A N ASP 215.A O no hydrogen 2.885 N/A SER 219.A OG.B ASP 215.A O no hydrogen 2.847 N/A MET 220.A N ILE 216.A O no hydrogen 3.018 N/A LEU 221.A N LEU 217.A O no hydrogen 3.386 N/A ASP 222.A N TRP 218.A O no hydrogen 2.950 N/A ALA 223.A N SER 219.A O no hydrogen 3.082 N/A MET 224.A N.A MET 220.A O no hydrogen 3.221 N/A MET 224.A N.B MET 220.A O no hydrogen 3.206 N/A THR 225.A N LEU 221.A O no hydrogen 2.851 N/A THR 225.A OG1 LEU 221.A O no hydrogen 2.930 N/A MET 226.A N ASP 222.A O no hydrogen 3.040 N/A ALA 227.A N ALA 223.A O no hydrogen 3.147 N/A TYR 228.A N MET 224.A O.A no hydrogen 2.948 N/A TYR 228.A N MET 224.A O.B no hydrogen 2.784 N/A ALA 229.A N THR 225.A O no hydrogen 2.980 N/A LEU 230.A N THR 225.A O no hydrogen 2.983 N/A ARG 232.A N MET 226.A O no hydrogen 2.833 N/A HIS 236.A N PRO 233.A O no hydrogen 3.187 N/A HIS 236.A ND1 PRO 233.A O no hydrogen 3.238 N/A VAL 238.A N TYR 235.A O no hydrogen 2.930 N/A THR 239.A N TYR 235.A O no hydrogen 2.955 N/A LYS 241.A N THR 239.A OG1 no hydrogen 3.124 N/A TRP 244.A NE1 ARG 114.A O no hydrogen 3.047 N/A ARG 248.A N GLU 252.A OE2 no hydrogen 3.073 N/A ARG 248.A NH1 THR 55.A OG1 no hydrogen 3.218 N/A ARG 248.A NH2 GLU 113.A OE2 no hydrogen 2.984 N/A LEU 251.A N ARG 248.A O no hydrogen 2.926 N/A GLU 252.A N ARG 248.A O no hydrogen 2.914 N/A