Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kmi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 ARG 153.A O no hydrogen 2.867 N/A HIS 4.A N LEU 1.A O no hydrogen 3.206 N/A HIS 4.A NE2 GLU 67.A OE1 no hydrogen 2.714 N/A GLU 7.A N HIS 4.A O no hydrogen 3.127 N/A ASN 8.A N ILE 5.A O no hydrogen 3.176 N/A ASN 8.A ND2 ILE 5.A O no hydrogen 3.040 N/A ASN 8.A ND2 VAL 151.A O no hydrogen 3.305 N/A GLN 10.A N ASN 8.A O no hydrogen 3.091 N/A HIS 13.A ND1 PHE 83.A O no hydrogen 3.058 N/A ILE 15.A N VAL 85.A O no hydrogen 2.826 N/A ARG 17.A N GLU 88.A OE2 no hydrogen 3.237 N/A ARG 17.A NE GLU 88.A O no hydrogen 2.758 N/A ARG 17.A NH1 PRO 91.A O no hydrogen 3.120 N/A ARG 17.A NH2 GLU 88.A O no hydrogen 2.815 N/A ARG 17.A NH2 PRO 91.A O no hydrogen 2.808 N/A ASP 19.A N LYS 16.A O no hydrogen 3.016 N/A ILE 20.A N ARG 17.A O no hydrogen 3.164 N/A VAL 21.A N GLU 38.A O no hydrogen 2.850 N/A LYS 23.A N LEU 36.A O no hydrogen 2.790 N/A LEU 26.A N VAL 34.A O no hydrogen 2.761 N/A GLY 27.A N VAL 34.A O no hydrogen 3.316 N/A GLY 29.A N GLY 32.A O no hydrogen 2.800 N/A ALA 30.A N ASP 178.A OD2 no hydrogen 3.006 N/A VAL 34.A N GLY 27.A O no hydrogen 2.780 N/A PHE 35.A N VAL 53.A O no hydrogen 2.901 N/A LEU 36.A N TRP 24.A O no hydrogen 2.822 N/A ALA 37.A N VAL 51.A O no hydrogen 2.990 N/A GLU 38.A N VAL 21.A O no hydrogen 2.824 N/A CYS 39.A N MET 49.A O no hydrogen 2.731 N/A CYS 39.A SG ASP 19.A O no hydrogen 3.600 N/A HIS 40.A N ASP 19.A O no hydrogen 2.794 N/A ASN 41.A N ASP 47.A O no hydrogen 3.142 N/A LYS 48.A N GLN 46.A O no hydrogen 2.739 N/A LYS 48.A NZ GLU 38.A OE1 no hydrogen 3.282 N/A MET 49.A N CYS 39.A O no hydrogen 3.306 N/A VAL 51.A N ALA 37.A O no hydrogen 2.850 N/A ALA 52.A N PHE 96.A O no hydrogen 2.854 N/A VAL 53.A N PHE 35.A O no hydrogen 2.811 N/A LYS 54.A N MET 94.A O no hydrogen 2.793 N/A LYS 54.A NZ PHE 173.A O no hydrogen 2.792 N/A ALA 55.A N LYS 33.A O no hydrogen 2.892 N/A LEU 56.A N LEU 92.A O no hydrogen 2.974 N/A LYS 57.A N PHE 31.A O no hydrogen 3.056 N/A LYS 57.A NZ ALA 30.A O no hydrogen 2.917 N/A ASP 63.A N SER 59.A O no hydrogen 2.840 N/A PHE 64.A N ALA 60.A O no hydrogen 2.788 N/A GLN 65.A N ARG 61.A O no hydrogen 3.140 N/A ARG 66.A N GLN 62.A O no hydrogen 3.061 N/A ARG 66.A NH1 GLU 69.A OE1 no hydrogen 3.077 N/A GLU 67.A N ASP 63.A O no hydrogen 2.837 N/A ALA 68.A N PHE 64.A O no hydrogen 2.902 N/A GLU 69.A N GLN 65.A O no hydrogen 3.086 N/A LEU 70.A N ARG 66.A O no hydrogen 3.107 N/A LEU 71.A N GLU 67.A O no hydrogen 2.883 N/A THR 72.A N ALA 68.A O no hydrogen 3.001 N/A THR 72.A OG1 ALA 68.A O no hydrogen 2.646 N/A MET 73.A N GLU 69.A O no hydrogen 3.386 N/A MET 73.A N LEU 70.A O no hydrogen 3.152 N/A LEU 74.A N LEU 70.A O no hydrogen 3.380 N/A GLN 75.A N TYR 144.A OH no hydrogen 2.918 N/A GLN 75.A NE2 THR 72.A O no hydrogen 3.201 N/A HIS 78.A N HIS 76.A ND1 no hydrogen 3.049 N/A HIS 78.A ND1 VAL 168.A O no hydrogen 2.874 N/A ILE 79.A N HIS 76.A O no hydrogen 3.237 N/A VAL 80.A N ILE 170.A O no hydrogen 2.894 N/A ARG 81.A N GLU 97.A OE2 no hydrogen 2.788 N/A PHE 83.A N VAL 95.A O no hydrogen 2.811 N/A VAL 85.A N HIS 13.A O no hydrogen 2.904 N/A CYS 86.A N LEU 93.A O no hydrogen 2.875 N/A CYS 86.A SG ILE 15.A O no hydrogen 3.423 N/A THR 87.A OG1 HIS 14.A ND1 no hydrogen 2.969 N/A LEU 93.A N CYS 86.A O no hydrogen 3.151 N/A MET 94.A N LYS 54.A O no hydrogen 2.888 N/A VAL 95.A N GLY 84.A O no hydrogen 2.851 N/A PHE 96.A N ALA 52.A O no hydrogen 2.858 N/A GLU 97.A N ARG 81.A O no hydrogen 3.001 N/A ARG 100.A NH1 GLN 164.A OE1 no hydrogen 2.755 N/A ARG 100.A NH2 GLN 164.A OE1 no hydrogen 3.314 N/A HIS 101.A N VAL 162.A O no hydrogen 2.888 N/A HIS 101.A NE2 ASP 120.A OD2 no hydrogen 2.778 N/A GLY 102.A N MET 99.A O no hydrogen 3.074 N/A LEU 104.A N CYS 160.A O no hydrogen 2.927 N/A ASN 105.A ND2 THR 157.A OG1 no hydrogen 3.136 N/A ASN 105.A ND2 GLY 228.A O no hydrogen 2.895 N/A ARG 106.A N ASP 103.A OD2 no hydrogen 3.034 N/A PHE 107.A N ASP 103.A O no hydrogen 3.072 N/A LEU 108.A N LEU 104.A O no hydrogen 2.931 N/A ARG 109.A N ASN 105.A O no hydrogen 2.992 N/A ARG 109.A NE ASN 105.A OD1 no hydrogen 2.963 N/A SER 110.A N ARG 106.A O no hydrogen 2.992 N/A SER 110.A OG ARG 106.A O no hydrogen 3.189 N/A SER 110.A OG PHE 107.A O no hydrogen 3.106 N/A SER 110.A OG HIS 111.A ND1 no hydrogen 3.112 N/A HIS 111.A N LEU 108.A O no hydrogen 3.070 N/A HIS 111.A ND1 PHE 107.A O no hydrogen 2.840 N/A ALA 115.A N GLY 112.A O no hydrogen 3.070 N/A LEU 126.A N HIS 111.A O no hydrogen 3.140 N/A LEU 131.A N GLY 127.A O no hydrogen 3.057 N/A LEU 132.A N LEU 128.A O no hydrogen 2.912 N/A ALA 133.A N GLY 129.A O no hydrogen 3.000 N/A VAL 134.A N GLN 130.A O no hydrogen 3.035 N/A ALA 135.A N LEU 131.A O no hydrogen 3.060 N/A SER 136.A N LEU 132.A O no hydrogen 2.890 N/A GLN 137.A N ALA 133.A O no hydrogen 3.054 N/A GLN 137.A NE2 ALA 133.A O no hydrogen 3.437 N/A GLN 137.A NE2 LEU 166.A O no hydrogen 3.071 N/A VAL 138.A N VAL 134.A O no hydrogen 3.157 N/A ALA 139.A N ALA 135.A O no hydrogen 2.989 N/A ALA 140.A N SER 136.A O no hydrogen 2.931 N/A GLY 141.A N GLN 137.A O no hydrogen 3.115 N/A MET 142.A N VAL 138.A O no hydrogen 3.011 N/A VAL 143.A N ALA 139.A O no hydrogen 2.851 N/A TYR 144.A N ALA 140.A O no hydrogen 3.121 N/A TYR 144.A OH MET 73.A O no hydrogen 3.183 N/A LEU 145.A N GLY 141.A O no hydrogen 3.083 N/A ALA 146.A N MET 142.A O no hydrogen 2.987 N/A GLY 147.A N VAL 143.A O no hydrogen 2.980 N/A LEU 148.A N TYR 144.A O no hydrogen 3.237 N/A LEU 148.A N LEU 145.A O no hydrogen 3.092 N/A HIS 149.A N ALA 146.A O no hydrogen 3.066 N/A PHE 150.A N LEU 145.A O no hydrogen 2.889 N/A VAL 151.A N ASN 8.A OD1 no hydrogen 2.919 N/A HIS 152.A N ASP 213.A OD2 no hydrogen 2.683 N/A ARG 153.A N ASP 213.A OD1 no hydrogen 3.075 N/A ASP 154.A N HIS 152.A ND1 no hydrogen 3.021 N/A THR 157.A N GLU 223.A OE1 no hydrogen 2.959 N/A THR 157.A OG1 GLU 223.A OE2 no hydrogen 2.710 N/A ARG 158.A NE TYR 184.A OH no hydrogen 2.819 N/A ARG 158.A NH2 ASP 154.A OD1 no hydrogen 2.886 N/A ASN 159.A N ALA 156.A O no hydrogen 2.934 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 2.773 N/A CYS 160.A N THR 157.A O no hydrogen 3.128 N/A CYS 160.A SG ALA 156.A O no hydrogen 3.728 N/A LEU 161.A N LYS 169.A O no hydrogen 2.739 N/A VAL 162.A N GLY 102.A O no hydrogen 2.870 N/A GLY 163.A N VAL 167.A O no hydrogen 2.789 N/A GLY 165.A N ASP 120.A OD1 no hydrogen 3.083 N/A GLY 165.A N ASP 120.A OD2 no hydrogen 3.103 N/A VAL 167.A N GLY 163.A O no hydrogen 3.356 N/A VAL 168.A N GLN 137.A OE1 no hydrogen 2.875 N/A LYS 169.A N LEU 161.A O no hydrogen 2.900 N/A LYS 169.A NZ GLU 97.A OE1 no hydrogen 3.224 N/A LYS 169.A NZ GLU 97.A OE2 no hydrogen 2.820 N/A ILE 170.A N HIS 78.A O no hydrogen 2.848 N/A GLY 171.A N ASN 159.A O no hydrogen 3.016 N/A GLY 174.A N ASP 172.A OD2 no hydrogen 2.832 N/A SER 176.A OG ASN 159.A OD1 no hydrogen 2.591 N/A ARG 177.A NE MET 192.A O no hydrogen 3.106 N/A ARG 177.A NH1 GLN 2.A O no hydrogen 3.098 N/A ARG 177.A NH2 GLN 2.A O no hydrogen 2.934 N/A ARG 177.A NH2 MET 192.A O no hydrogen 3.074 N/A ASP 178.A N MET 175.A O no hydrogen 2.905 N/A ILE 179.A N MET 175.A O no hydrogen 2.843 N/A TYR 180.A N SER 176.A O no hydrogen 2.761 N/A TYR 180.A OH ASP 103.A OD1 no hydrogen 2.604 N/A ASP 183.A N TYR 180.A O no hydrogen 2.979 N/A TYR 184.A N SER 181.A O no hydrogen 3.136 N/A TYR 184.A OH ASP 154.A OD2 no hydrogen 2.577 N/A TYR 185.A N LEU 193.A O no hydrogen 2.761 N/A ARG 186.A NH1 GLY 189.A O no hydrogen 3.020 N/A VAL 187.A N THR 191.A O no hydrogen 2.791 N/A LEU 193.A N TYR 185.A O no hydrogen 2.921 N/A ILE 195.A N LEU 193.A O no hydrogen 2.864 N/A ARG 196.A NH1 PRO 231.A O no hydrogen 3.387 N/A ARG 196.A NH1 TRP 232.A O no hydrogen 2.755 N/A ARG 196.A NH1 LEU 235.A O no hydrogen 3.160 N/A ARG 196.A NH2 LEU 235.A O no hydrogen 2.905 N/A ARG 196.A NH2 ASN 237.A OD1 no hydrogen 3.095 N/A TRP 197.A N PRO 194.A O no hydrogen 3.093 N/A TRP 197.A NE1 GLU 223.A OE1 no hydrogen 2.895 N/A MET 198.A N ILE 195.A O no hydrogen 3.039 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.902 N/A SER 202.A N PRO 199.A O no hydrogen 3.099 N/A SER 202.A OG LYS 207.A O no hydrogen 2.734 N/A ILE 203.A N PRO 199.A O no hydrogen 3.119 N/A LEU 204.A N PRO 200.A O no hydrogen 2.782 N/A TYR 205.A N GLU 201.A O no hydrogen 2.940 N/A ARG 206.A N SER 202.A O no hydrogen 3.267 N/A LYS 207.A N GLU 201.A O no hydrogen 3.310 N/A THR 209.A N SER 212.A OG no hydrogen 2.798 N/A THR 209.A OG1 GLU 211.A OE2 no hydrogen 3.238 N/A SER 212.A N THR 209.A O no hydrogen 2.952 N/A SER 212.A N THR 209.A OG1 no hydrogen 3.246 N/A SER 212.A OG THR 209.A O no hydrogen 2.721 N/A ASP 213.A N THR 209.A O no hydrogen 3.147 N/A VAL 214.A N THR 210.A O no hydrogen 3.043 N/A TRP 215.A N GLU 211.A O no hydrogen 3.272 N/A SER 216.A N SER 212.A O no hydrogen 3.100 N/A SER 216.A OG TRP 197.A O no hydrogen 2.690 N/A SER 216.A OG SER 212.A O no hydrogen 3.325 N/A PHE 217.A N ASP 213.A O no hydrogen 2.802 N/A GLY 218.A N VAL 214.A O no hydrogen 2.978 N/A VAL 219.A N TRP 215.A O no hydrogen 3.128 N/A VAL 220.A N SER 216.A O no hydrogen 2.864 N/A LEU 221.A N PHE 217.A O no hydrogen 2.827 N/A TRP 222.A N GLY 218.A O no hydrogen 3.016 N/A TRP 222.A NE1 GLU 251.A O no hydrogen 2.797 N/A GLU 223.A N VAL 219.A O no hydrogen 2.835 N/A ILE 224.A N VAL 220.A O no hydrogen 2.869 N/A PHE 225.A N LEU 221.A O no hydrogen 3.212 N/A THR 226.A N GLU 223.A O no hydrogen 3.260 N/A THR 226.A OG1 TRP 222.A O no hydrogen 3.059 N/A THR 226.A OG1 GLU 223.A O no hydrogen 3.102 N/A TYR 227.A N ILE 224.A O no hydrogen 3.278 N/A TYR 227.A OH LEU 126.A O no hydrogen 2.664 N/A GLY 228.A N GLU 223.A O no hydrogen 2.765 N/A LYS 229.A NZ THR 226.A O no hydrogen 2.885 N/A GLN 230.A NE2 THR 182.A O no hydrogen 3.156 N/A GLN 230.A NE2 ASP 183.A OD1 no hydrogen 2.813 N/A TYR 233.A N GLN 230.A O no hydrogen 3.107 N/A GLN 234.A N GLN 234.A OE1 no hydrogen 2.769 N/A LEU 235.A N TRP 232.A O no hydrogen 2.786 N/A SER 236.A N GLU 239.A OE1 no hydrogen 2.957 N/A SER 236.A OG THR 238.A OG1 no hydrogen 3.419 N/A THR 238.A OG1 SER 236.A OG no hydrogen 3.419 N/A GLU 239.A N SER 236.A OG no hydrogen 3.198 N/A ALA 240.A N SER 236.A O no hydrogen 2.918 N/A ILE 241.A N ASN 237.A O no hydrogen 3.061 N/A ASP 242.A N THR 238.A O no hydrogen 3.069 N/A CYS 243.A N GLU 239.A O no hydrogen 2.987 N/A CYS 243.A SG GLU 239.A O no hydrogen 3.798 N/A ILE 244.A N ALA 240.A O no hydrogen 2.915 N/A THR 245.A N ILE 241.A O no hydrogen 2.942 N/A THR 245.A OG1 ILE 241.A O no hydrogen 2.811 N/A THR 245.A OG1 ASP 242.A O no hydrogen 3.162 N/A GLN 246.A N ASP 242.A O no hydrogen 2.822 N/A GLY 247.A N CYS 243.A O no hydrogen 3.165 N/A GLY 247.A N ILE 244.A O no hydrogen 3.293 N/A ARG 248.A N CYS 243.A O no hydrogen 2.922 N/A ARG 252.A NH1 CYS 256.A O no hydrogen 2.790 N/A CYS 256.A N PRO 253.A O no hydrogen 3.083 N/A CYS 256.A SG PRO 257.A O no hydrogen 3.475 N/A GLU 259.A N GLU 259.A OE1 no hydrogen 2.807 N/A VAL 260.A N PRO 257.A O no hydrogen 3.019 N/A TYR 261.A N PRO 257.A O no hydrogen 2.993 N/A TYR 261.A OH LEU 250.A O no hydrogen 2.664 N/A ALA 262.A N PRO 258.A O no hydrogen 2.950 N/A MET 264.A N VAL 260.A O no hydrogen 3.124 N/A ARG 265.A N TYR 261.A O no hydrogen 3.013 N/A GLY 266.A N ALA 262.A O no hydrogen 3.007 N/A CYS 267.A N ILE 263.A O no hydrogen 3.311 N/A CYS 267.A N MET 264.A O no hydrogen 2.850 N/A CYS 267.A SG ILE 263.A O no hydrogen 3.504 N/A TRP 268.A N ARG 265.A O no hydrogen 3.067 N/A GLN 269.A NE2 ARG 265.A O no hydrogen 3.451 N/A ARG 270.A NH2 THR 245.A O no hydrogen 2.720 N/A GLU 271.A N GLU 271.A OE1 no hydrogen 2.722 N/A GLN 273.A NE2 GLN 274.A OE1 no hydrogen 3.571 N/A GLN 274.A N GLU 271.A O no hydrogen 3.001 N/A ARG 275.A N PRO 272.A O no hydrogen 3.151 N/A ARG 275.A NE GLN 269.A O no hydrogen 2.841 N/A ARG 275.A NH1 GLU 201.A OE2 no hydrogen 2.735 N/A ARG 275.A NH1 GLU 211.A O no hydrogen 3.037 N/A ARG 275.A NH2 GLU 201.A OE1 no hydrogen 2.868 N/A ARG 275.A NH2 GLN 269.A O no hydrogen 3.388 N/A ARG 275.A NH2 ARG 270.A O no hydrogen 3.165 N/A HIS 276.A N GLY 266.A O no hydrogen 3.139 N/A ASP 280.A N SER 277.A OG no hydrogen 3.253 N/A VAL 281.A N SER 277.A O no hydrogen 3.024 N/A HIS 282.A N ILE 278.A O no hydrogen 2.788 N/A ALA 283.A N LYS 279.A O no hydrogen 2.965 N/A ARG 284.A N ASP 280.A O no hydrogen 3.124 N/A ARG 284.A NH2 HIS 276.A ND1 no hydrogen 2.812 N/A LEU 285.A N VAL 281.A O no hydrogen 3.080 N/A GLN 286.A N HIS 282.A O no hydrogen 2.879 N/A ALA 287.A N ALA 283.A O no hydrogen 3.241 N/A LEU 288.A N ARG 284.A O no hydrogen 3.105 N/A ALA 289.A N LEU 285.A O no hydrogen 2.747 N/A GLN 290.A N GLN 286.A O no hydrogen 2.886 N/A ALA 291.A N LEU 288.A O no hydrogen 3.283 N/A TYR 295.A N PRO 292.A O no hydrogen 2.896 N/A LEU 296.A N PRO 292.A O no hydrogen 3.273 N/A ASP 297.A N PRO 293.A O no hydrogen 2.830 N/A LEU 299.A N LEU 296.A O no hydrogen 3.035 N/A GLY 300.A N LEU 296.A O no hydrogen 2.909 N/A