Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ioe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N ASN 9.A OD1 no hydrogen 3.060 N/A GLY 6.A N GLU 96.A OE2 no hydrogen 3.450 N/A GLU 7.A N HIS 4.A O no hydrogen 3.377 N/A ASN 9.A N GLU 96.A O no hydrogen 2.794 N/A ASN 9.A ND2 HIS 4.A O no hydrogen 2.793 N/A ASN 9.A ND2 GLU 96.A O no hydrogen 3.233 N/A TYR 11.A N ALA 98.A O no hydrogen 3.093 N/A TYR 11.A OH ALA 2.A O no hydrogen 2.741 N/A SER 12.A OG THR 100.A O no hydrogen 3.279 N/A SER 12.A OG THR 100.A OG1 no hydrogen 3.143 N/A VAL 17.A N ALA 13.A O no hydrogen 3.260 N/A ALA 18.A N PRO 14.A O no hydrogen 2.928 N/A ASP 19.A N GLY 15.A O no hydrogen 3.010 N/A VAL 20.A N ASP 16.A O no hydrogen 3.172 N/A SER 21.A N VAL 17.A O no hydrogen 2.893 N/A SER 21.A OG VAL 147.A O no hydrogen 2.594 N/A ARG 22.A N ALA 18.A O no hydrogen 3.005 N/A ALA 23.A N ASP 19.A O no hydrogen 2.841 N/A LEU 24.A N VAL 20.A O no hydrogen 2.815 N/A ARG 25.A N SER 21.A O no hydrogen 2.879 N/A ARG 25.A NH2 VAL 147.A O no hydrogen 3.324 N/A LEU 26.A N ARG 22.A O no hydrogen 3.006 N/A THR 27.A N ALA 23.A O no hydrogen 3.258 N/A THR 27.A N LEU 24.A O no hydrogen 3.062 N/A THR 27.A OG1 LEU 24.A O no hydrogen 3.050 N/A GLY 28.A N ARG 25.A O no hydrogen 3.139 N/A ARG 29.A N LEU 24.A O no hydrogen 3.270 N/A ARG 29.A NE GLY 56.A O no hydrogen 3.427 N/A ARG 29.A NH2 SER 57.A O no hydrogen 2.763 N/A ARG 29.A NH2 GLU 96.A OE1 no hydrogen 2.967 N/A ARG 30.A N GLY 56.A O no hydrogen 3.048 N/A ARG 30.A NE PRO 55.A O no hydrogen 3.224 N/A ARG 30.A NH2 PRO 55.A O no hydrogen 2.525 N/A VAL 31.A N ASP 150.A OD2 no hydrogen 2.777 N/A MET 32.A N VAL 58.A O no hydrogen 2.790 N/A LEU 33.A N ARG 151.A O no hydrogen 2.994 N/A VAL 34.A N VAL 60.A O no hydrogen 2.824 N/A THR 36.A N SER 62.A O no hydrogen 2.921 N/A THR 36.A OG1 SER 62.A O no hydrogen 2.759 N/A GLY 38.A N THR 36.A OG1 no hydrogen 3.026 N/A ALA 39.A N ASP 86.A OD2 no hydrogen 2.943 N/A LEU 40.A N ASP 86.A OD1 no hydrogen 2.902 N/A HIS 41.A N HIS 44.A ND1 no hydrogen 3.109 N/A GLY 43.A N HIS 41.A ND1 no hydrogen 2.978 N/A LEU 45.A N HIS 41.A O no hydrogen 3.104 N/A ALA 46.A N GLU 42.A O no hydrogen 3.030 N/A ALA 46.A N GLY 43.A O no hydrogen 3.321 N/A VAL 48.A N HIS 44.A O no hydrogen 3.094 N/A ARG 49.A N LEU 45.A O no hydrogen 2.896 N/A ARG 49.A NE GLU 93.A OE1 no hydrogen 3.105 N/A ARG 49.A NH2 GLU 42.A OE2 no hydrogen 2.530 N/A ARG 49.A NH2 GLU 93.A OE2 no hydrogen 3.162 N/A ALA 50.A N ALA 46.A O no hydrogen 2.901 N/A ALA 51.A N LEU 47.A O no hydrogen 2.980 N/A LYS 52.A N VAL 48.A O no hydrogen 2.787 N/A ARG 53.A N ARG 49.A O no hydrogen 3.014 N/A VAL 54.A N ALA 51.A O no hydrogen 3.319 N/A SER 57.A N VAL 54.A O no hydrogen 3.133 N/A SER 57.A OG ALA 51.A O no hydrogen 3.083 N/A SER 57.A OG VAL 54.A O no hydrogen 2.752 N/A VAL 58.A N ARG 30.A O no hydrogen 2.758 N/A VAL 60.A N MET 32.A O no hydrogen 2.799 N/A VAL 61.A N ILE 97.A O no hydrogen 2.859 N/A SER 62.A N VAL 34.A O no hydrogen 3.085 N/A ILE 63.A N PHE 99.A O no hydrogen 2.841 N/A PHE 64.A N THR 36.A O no hydrogen 3.085 N/A ASN 66.A ND2 GLN 69.A OE1 no hydrogen 2.877 N/A ASN 66.A ND2 GLY 135.A O no hydrogen 2.887 N/A MET 68.A N ASN 66.A OD1 no hydrogen 3.087 N/A GLN 69.A N ASN 66.A O no hydrogen 3.339 N/A PHE 70.A N PRO 67.A O no hydrogen 3.257 N/A ALA 78.A N ASP 75.A O no hydrogen 3.210 N/A TYR 79.A N LEU 76.A O no hydrogen 3.402 N/A ARG 81.A NH1 LEU 76.A O no hydrogen 2.924 N/A ARG 81.A NH2 LEU 76.A O no hydrogen 3.016 N/A THR 82.A OG1 THR 82.A O no hydrogen 2.453 N/A THR 82.A OG1 ASP 86.A OD1 no hydrogen 3.276 N/A ASP 86.A N THR 82.A O no hydrogen 2.960 N/A LEU 87.A N PRO 83.A O no hydrogen 2.966 N/A ALA 88.A N ASP 84.A O no hydrogen 3.236 N/A GLN 89.A N ASP 85.A O no hydrogen 2.834 N/A GLN 89.A NE2 LEU 40.A O no hydrogen 3.139 N/A LEU 90.A N ASP 86.A O no hydrogen 3.044 N/A ARG 91.A N LEU 87.A O no hydrogen 2.904 N/A ALA 92.A N ALA 88.A O no hydrogen 2.859 N/A GLU 93.A N LEU 90.A O no hydrogen 3.046 N/A GLY 94.A N ARG 91.A O no hydrogen 3.082 N/A VAL 95.A N LEU 90.A O no hydrogen 3.217 N/A ILE 97.A N VAL 59.A O no hydrogen 3.118 N/A ALA 98.A N ASN 9.A O no hydrogen 2.968 N/A PHE 99.A N VAL 61.A O no hydrogen 2.844 N/A THR 100.A N TYR 11.A O no hydrogen 2.884 N/A THR 100.A OG1 TYR 11.A O no hydrogen 3.437 N/A THR 100.A OG1 SER 12.A OG no hydrogen 3.143 N/A ALA 105.A N THR 102.A OG1 no hydrogen 2.990 N/A MET 106.A N THR 102.A O no hydrogen 3.203 N/A MET 106.A N THR 103.A O no hydrogen 3.165 N/A TYR 107.A N THR 103.A O no hydrogen 2.768 N/A TYR 107.A OH ASN 66.A OD1 no hydrogen 2.743 N/A GLY 110.A N TYR 107.A O no hydrogen 3.090 N/A VAL 115.A N THR 138.A OG1 no hydrogen 2.966 N/A ALA 121.A N GLY 118.A O no hydrogen 3.054 N/A ALA 122.A N PRO 119.A O no hydrogen 2.881 N/A GLU 123.A N LEU 120.A O no hydrogen 3.007 N/A GLU 125.A N GLN 160.A OE1 no hydrogen 3.150 N/A GLY 126.A N GLU 123.A O no hydrogen 2.859 N/A GLY 127.A N LEU 124.A O no hydrogen 3.269 N/A ARG 129.A N GLY 126.A O no hydrogen 3.205 N/A HIS 132.A N ARG 129.A O no hydrogen 3.131 N/A HIS 132.A ND1 GLN 69.A O no hydrogen 2.581 N/A GLY 135.A N THR 131.A O no hydrogen 3.290 N/A VAL 136.A N HIS 132.A O no hydrogen 3.232 N/A LEU 137.A N PHE 133.A O no hydrogen 2.910 N/A THR 138.A N ALA 134.A O no hydrogen 2.932 N/A THR 138.A OG1 ALA 134.A O no hydrogen 2.716 N/A VAL 139.A N GLY 135.A O no hydrogen 3.130 N/A VAL 140.A N VAL 136.A O no hydrogen 2.829 N/A LEU 141.A N LEU 137.A O no hydrogen 2.882 N/A LYS 142.A N THR 138.A O no hydrogen 3.140 N/A LYS 142.A NZ MET 106.A O no hydrogen 2.808 N/A LEU 143.A N VAL 139.A O no hydrogen 2.870 N/A LEU 144.A N VAL 140.A O no hydrogen 2.893 N/A GLN 145.A N LEU 141.A O no hydrogen 3.008 N/A ILE 146.A N LYS 142.A O no hydrogen 2.861 N/A VAL 147.A N LEU 143.A O no hydrogen 2.844 N/A ARG 148.A N LEU 144.A O no hydrogen 2.720 N/A ASP 150.A N VAL 31.A O no hydrogen 2.827 N/A VAL 152.A N ALA 177.A O no hydrogen 2.928 N/A PHE 153.A N LEU 33.A O no hydrogen 2.943 N/A PHE 154.A N VAL 179.A O no hydrogen 2.961 N/A GLU 156.A N VAL 181.A O no hydrogen 2.875 N/A LYS 157.A NZ ASP 158.A OD1 no hydrogen 3.412 N/A LYS 157.A NZ ASP 158.A OD2 no hydrogen 2.950 N/A TYR 159.A OH ILE 252.A O no hydrogen 2.538 N/A GLN 160.A NE2 LEU 120.A O no hydrogen 2.802 N/A GLN 160.A NE2 GLU 123.A O no hydrogen 2.679 N/A LEU 162.A N ASP 158.A O no hydrogen 3.047 N/A VAL 163.A N TYR 159.A O no hydrogen 2.910 N/A LEU 164.A N GLN 160.A O no hydrogen 2.936 N/A ILE 165.A N GLN 161.A O no hydrogen 2.934 N/A ARG 166.A N LEU 162.A O no hydrogen 2.975 N/A ARG 166.A NH1 VAL 178.A O no hydrogen 2.952 N/A GLN 167.A N VAL 163.A O no hydrogen 2.959 N/A LEU 168.A N LEU 164.A O no hydrogen 2.840 N/A VAL 169.A N ILE 165.A O no hydrogen 2.918 N/A ALA 170.A N ARG 166.A O no hydrogen 3.011 N/A ASP 171.A N GLN 167.A O no hydrogen 2.847 N/A PHE 172.A N LEU 168.A O no hydrogen 3.032 N/A ASN 173.A N ALA 170.A O no hydrogen 3.286 N/A LEU 174.A N VAL 169.A O no hydrogen 2.913 N/A ALA 177.A N ASP 150.A O no hydrogen 3.057 N/A VAL 179.A N VAL 152.A O no hydrogen 2.917 N/A VAL 181.A N PHE 154.A O no hydrogen 2.774 N/A ARG 185.A NH1 GLY 189.A O no hydrogen 2.929 N/A ARG 185.A NH1 ASP 278.A OD1 no hydrogen 3.364 N/A ARG 185.A NH1 ASP 278.A OD2 no hydrogen 2.721 N/A ARG 185.A NH2 ASP 278.A OD1 no hydrogen 2.735 N/A ARG 185.A NH2 ASP 278.A OD2 no hydrogen 3.492 N/A GLU 186.A N LEU 190.A O no hydrogen 2.768 N/A GLY 189.A N GLU 186.A O no hydrogen 2.905 N/A LEU 190.A N ASP 188.A OD1 no hydrogen 3.228 N/A MET 192.A N VAL 184.A O no hydrogen 2.991 N/A ARG 195.A N SER 193.A OG no hydrogen 3.000 N/A ASN 196.A N SER 193.A O no hydrogen 3.103 N/A ASN 196.A ND2 ALA 191.A O no hydrogen 2.932 N/A ARG 197.A NE SER 194.A O no hydrogen 2.956 N/A TYR 198.A N ARG 195.A O no hydrogen 2.983 N/A LEU 199.A N ASN 196.A O no hydrogen 3.087 N/A ASP 200.A N GLN 203.A OE1 no hydrogen 3.164 N/A GLN 203.A N ASP 200.A OD1 no hydrogen 2.890 N/A ARG 204.A N ASP 200.A O no hydrogen 2.689 N/A ARG 204.A NH1 ASP 188.A OD2 no hydrogen 2.886 N/A ARG 204.A NH1 ARG 204.A O no hydrogen 2.777 N/A ARG 204.A NH2 ASP 188.A OD1 no hydrogen 2.980 N/A ARG 204.A NH2 ASP 188.A OD2 no hydrogen 3.306 N/A ALA 205.A N PRO 201.A O no hydrogen 3.053 N/A ALA 206.A N ALA 202.A O no hydrogen 2.938 N/A ALA 207.A N GLN 203.A O no hydrogen 2.959 N/A ALA 209.A N ALA 206.A O no hydrogen 3.003 N/A LEU 210.A N ALA 207.A O no hydrogen 3.151 N/A SER 211.A OG VAL 208.A O no hydrogen 3.240 N/A ALA 212.A N VAL 208.A O no hydrogen 2.974 N/A ALA 213.A N ALA 209.A O no hydrogen 2.953 N/A LEU 214.A N LEU 210.A O no hydrogen 3.176 N/A THR 215.A N SER 211.A O no hydrogen 2.873 N/A THR 215.A OG1 SER 211.A O no hydrogen 3.298 N/A THR 215.A OG1 ALA 212.A O no hydrogen 3.415 N/A ALA 216.A N ALA 212.A O no hydrogen 2.960 N/A ALA 217.A N ALA 213.A O no hydrogen 2.941 N/A ALA 218.A N LEU 214.A O no hydrogen 2.870 N/A HIS 219.A N THR 215.A O no hydrogen 3.154 N/A ALA 220.A N ALA 216.A O no hydrogen 2.783 N/A ALA 223.A N ALA 220.A O no hydrogen 2.884 N/A GLY 224.A N ALA 221.A O no hydrogen 2.996 N/A GLN 226.A NE2 ASP 230.A OD1 no hydrogen 2.932 N/A GLN 226.A NE2 ASP 230.A OD2 no hydrogen 3.130 N/A ALA 228.A N GLY 224.A O no hydrogen 3.111 N/A LEU 229.A N ALA 225.A O no hydrogen 2.970 N/A ASP 230.A N GLN 226.A O no hydrogen 2.870 N/A ALA 231.A N ALA 227.A O no hydrogen 2.820 N/A ALA 232.A N ALA 228.A O no hydrogen 3.098 N/A ARG 233.A N LEU 229.A O no hydrogen 2.966 N/A ALA 234.A N ASP 230.A O no hydrogen 3.042 N/A VAL 235.A N ALA 231.A O no hydrogen 3.311 N/A LEU 236.A N ALA 232.A O no hydrogen 3.038 N/A ASP 237.A N ARG 233.A O no hydrogen 2.844 N/A ALA 238.A N ALA 234.A O no hydrogen 3.068 N/A ALA 238.A N VAL 235.A O no hydrogen 3.259 N/A ALA 239.A N LEU 236.A O no hydrogen 3.110 N/A ALA 243.A N ARG 270.A O no hydrogen 2.970 N/A ASP 245.A N ALA 268.A O no hydrogen 2.755 N/A TYR 246.A N ALA 268.A O no hydrogen 3.161 N/A TYR 246.A OH GLU 125.A OE2 no hydrogen 2.638 N/A GLU 248.A N LEU 266.A O no hydrogen 2.851 N/A ARG 250.A N ARG 264.A O no hydrogen 2.866 N/A ARG 250.A NE GLU 248.A OE1 no hydrogen 2.977 N/A ARG 250.A NH1 GLU 123.A OE1 no hydrogen 2.562 N/A ARG 250.A NH1 LEU 254.A O no hydrogen 3.182 N/A ARG 250.A NH2 GLU 248.A OE1 no hydrogen 2.840 N/A GLY 253.A N ASP 251.A OD2 no hydrogen 3.049 N/A LEU 254.A N ASP 251.A O no hydrogen 2.815 N/A MET 257.A N GLY 255.A O no hydrogen 2.743 N/A SER 262.A OG GLU 283.A OE1 no hydrogen 2.478 N/A SER 262.A OG GLU 283.A OE2 no hydrogen 3.115 N/A GLY 263.A N ILE 282.A O no hydrogen 2.827 N/A ARG 264.A N ARG 250.A O no hydrogen 2.849 N/A ARG 264.A NE ASN 279.A OD1 no hydrogen 2.748 N/A ARG 264.A NH2 GLU 156.A OE1 no hydrogen 3.086 N/A ARG 264.A NH2 ASN 279.A OD1 no hydrogen 2.835 N/A LEU 265.A N ILE 280.A O no hydrogen 2.806 N/A LEU 266.A N GLU 248.A O no hydrogen 2.824 N/A VAL 267.A N ASP 278.A O no hydrogen 2.878 N/A ALA 268.A N TYR 246.A O no hydrogen 3.017 N/A ALA 269.A N LEU 276.A O no hydrogen 2.948 N/A ARG 270.A N ALA 243.A O no hydrogen 2.707 N/A ARG 270.A NE ASP 245.A OD1 no hydrogen 2.826 N/A ARG 270.A NE ASP 245.A OD2 no hydrogen 3.479 N/A ARG 270.A NH2 ASP 245.A OD1 no hydrogen 2.988 N/A LEU 271.A N THR 274.A O no hydrogen 2.748 N/A THR 274.A N LEU 271.A O no hydrogen 3.181 N/A THR 274.A OG1 TYR 198.A O no hydrogen 3.478 N/A ARG 275.A NE ASP 245.A OD2 no hydrogen 2.811 N/A ARG 275.A NH1 GLU 125.A OE1 no hydrogen 2.514 N/A ARG 275.A NH1 GLU 125.A OE2 no hydrogen 3.215 N/A ARG 275.A NH2 GLU 125.A OE2 no hydrogen 2.608 N/A LEU 276.A N ALA 269.A O no hydrogen 2.700 N/A ASP 278.A N VAL 267.A O no hydrogen 3.144 N/A ASN 279.A N ASP 278.A OD1 no hydrogen 2.813 N/A ASN 279.A ND2 GLU 156.A O no hydrogen 2.773 N/A ILE 280.A N LEU 265.A O no hydrogen 2.877 N/A ILE 282.A N GLY 263.A O no hydrogen 2.974 N/A ILE 284.A N GLY 261.A O no hydrogen 2.723 N/A GLY 285.A N ALA 221.A O no hydrogen 3.000 N/A