Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ek3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N ALA 74.A O no hydrogen 2.874 N/A VAL 1.A N ASN 77.A O no hydrogen 3.227 N/A MET 2.A N GLU 106.A O no hydrogen 2.585 N/A TYR 3.A N VAL 79.A O no hydrogen 2.783 N/A PHE 4.A N TYR 108.A O no hydrogen 2.829 N/A ILE 5.A N PHE 81.A O no hydrogen 2.942 N/A GLY 6.A N ILE 110.A O no hydrogen 3.078 N/A LEU 7.A N THR 83.A O no hydrogen 2.643 N/A TYR 10.A N ASP 14.A OD2 no hydrogen 2.875 N/A ASP 11.A N ASP 14.A OD2 no hydrogen 2.921 N/A GLU 12.A N GLU 12.A OE1 no hydrogen 2.609 N/A ARG 13.A N ASP 11.A OD1 no hydrogen 2.735 N/A ASP 14.A N ASP 11.A O no hydrogen 3.030 N/A ILE 15.A N GLU 12.A O no hydrogen 3.333 N/A THR 16.A OG1 HIS 111.A O no hydrogen 3.455 N/A GLY 19.A N THR 16.A OG1 no hydrogen 3.168 N/A LEU 20.A N THR 16.A O no hydrogen 3.009 N/A GLU 21.A N VAL 17.A O no hydrogen 2.775 N/A ILE 22.A N LYS 18.A O no hydrogen 3.105 N/A ALA 23.A N GLY 19.A O no hydrogen 2.847 N/A LYS 24.A N LEU 20.A O no hydrogen 2.905 N/A LYS 25.A N ILE 22.A O no hydrogen 3.243 N/A CYS 26.A N ALA 23.A O no hydrogen 3.274 N/A CYS 26.A SG ILE 22.A O no hydrogen 3.273 N/A ASP 27.A N ASP 78.A O no hydrogen 2.813 N/A TYR 28.A N ASP 78.A O no hydrogen 3.504 N/A PHE 30.A N ALA 80.A O no hydrogen 2.663 N/A ALA 31.A N ARG 55.A O no hydrogen 3.177 N/A GLU 32.A N LEU 82.A O no hydrogen 2.980 N/A TYR 34.A N GLU 32.A OE1 no hydrogen 2.862 N/A THR 35.A N GLU 32.A OE1 no hydrogen 3.219 N/A THR 35.A OG1 GLU 32.A OE1 no hydrogen 3.371 N/A THR 35.A OG1 GLU 32.A OE2 no hydrogen 2.868 N/A GLY 40.A N TYR 10.A O no hydrogen 2.964 N/A THR 41.A N MET 38.A O no hydrogen 3.507 N/A THR 41.A OG1 GLU 12.A OE1 no hydrogen 2.763 N/A THR 41.A OG1 THR 42.A O no hydrogen 3.319 N/A ARG 45.A N THR 42.A OG1 no hydrogen 3.246 N/A ILE 46.A N THR 42.A O no hydrogen 3.189 N/A GLN 47.A N LEU 43.A O no hydrogen 2.926 N/A LYS 48.A N GLY 44.A O no hydrogen 2.688 N/A LEU 49.A N ARG 45.A O no hydrogen 2.768 N/A ILE 50.A N ILE 46.A O no hydrogen 2.785 N/A GLY 51.A N GLN 47.A O no hydrogen 2.755 N/A LYS 52.A NZ CYS 26.A O no hydrogen 3.014 N/A ILE 54.A N GLN 47.A OE1 no hydrogen 2.664 N/A ARG 55.A N VAL 29.A O no hydrogen 2.957 N/A LEU 57.A N ALA 31.A O no hydrogen 2.629 N/A SER 58.A N ASP 61.A OD2 no hydrogen 3.096 N/A SER 58.A OG ASP 61.A OD2 no hydrogen 2.773 N/A ARG 59.A NH1 GLU 63.A OE2 no hydrogen 2.589 N/A ASP 61.A N SER 58.A OG no hydrogen 3.107 N/A VAL 62.A N SER 58.A O no hydrogen 3.068 N/A GLU 63.A N ARG 59.A O no hydrogen 2.760 N/A LEU 64.A N GLU 60.A O no hydrogen 2.894 N/A ASN 65.A N ASP 61.A O no hydrogen 2.830 N/A ASN 65.A ND2 ASN 68.A OD1 no hydrogen 2.850 N/A GLU 67.A N GLU 67.A OE1 no hydrogen 2.467 N/A ASN 68.A N ASN 65.A O no hydrogen 3.109 N/A ILE 69.A N ASN 65.A O no hydrogen 2.790 N/A VAL 70.A N PHE 66.A O no hydrogen 2.839 N/A LEU 71.A N PHE 66.A O no hydrogen 3.218 N/A ALA 74.A N LEU 71.A O no hydrogen 2.895 N/A LYS 75.A N PRO 72.A O no hydrogen 3.380 N/A GLU 76.A N LEU 73.A O no hydrogen 3.161 N/A ASN 77.A N LEU 73.A O no hydrogen 2.823 N/A ASN 77.A ND2 LEU 73.A O no hydrogen 3.457 N/A ASP 78.A N ASP 27.A OD2 no hydrogen 2.992 N/A VAL 79.A N VAL 1.A O no hydrogen 3.103 N/A ALA 80.A N TYR 28.A O no hydrogen 2.889 N/A PHE 81.A N TYR 3.A O no hydrogen 2.681 N/A LEU 82.A N PHE 30.A O no hydrogen 2.644 N/A THR 83.A N ILE 5.A O no hydrogen 3.218 N/A THR 83.A OG1 PRO 84.A O no hydrogen 3.398 N/A GLY 85.A N GLY 8.A O no hydrogen 2.437 N/A LEU 88.A N ASP 86.A OD1 no hydrogen 2.958 N/A VAL 89.A N ASP 86.A O no hydrogen 3.242 N/A THR 91.A OG1 PRO 87.A O no hydrogen 2.848 N/A HIS 93.A NE2 GLU 32.A OE2 no hydrogen 2.607 N/A GLU 95.A N THR 92.A O no hydrogen 3.363 N/A LEU 96.A N HIS 93.A O no hydrogen 2.813 N/A ARG 97.A N ALA 94.A O no hydrogen 3.077 N/A ARG 97.A NE SER 107.A OG no hydrogen 3.145 N/A ARG 97.A NH2 SER 107.A O no hydrogen 2.823 N/A ILE 98.A N GLU 95.A O no hydrogen 2.928 N/A ARG 99.A N GLU 95.A O no hydrogen 3.393 N/A ARG 99.A NE GLU 95.A OE1 no hydrogen 3.240 N/A ARG 99.A NE GLU 95.A OE2 no hydrogen 3.038 N/A ARG 99.A NH1 VAL 62.A O no hydrogen 3.262 N/A ARG 99.A NH1 GLU 67.A OE1 no hydrogen 2.995 N/A ARG 99.A NH2 GLU 63.A O no hydrogen 3.209 N/A ARG 99.A NH2 GLU 95.A OE1 no hydrogen 3.309 N/A ALA 100.A N LEU 96.A O no hydrogen 3.030 N/A LYS 101.A N ARG 97.A O no hydrogen 3.051 N/A ARG 102.A N ILE 98.A O no hydrogen 2.884 N/A ALA 103.A N ALA 100.A O no hydrogen 2.990 N/A GLY 104.A N LYS 101.A O no hydrogen 2.891 N/A VAL 105.A N ALA 100.A O no hydrogen 2.769 N/A TYR 108.A N MET 2.A O no hydrogen 2.801 N/A ILE 110.A N PHE 4.A O no hydrogen 2.763 N/A HIS 111.A ND1 ASP 86.A OD2 no hydrogen 2.742 N/A TYR 116.A N SER 114.A OG no hydrogen 3.183 N/A SER 117.A N SER 114.A O no hydrogen 3.199 N/A SER 117.A OG SER 114.A O no hydrogen 3.321 N/A ALA 118.A N SER 114.A O no hydrogen 3.109 N/A GLY 120.A N SER 117.A O no hydrogen 3.117 N/A ILE 121.A N ALA 118.A O no hydrogen 3.161 N/A THR 122.A N VAL 119.A O no hydrogen 3.004 N/A THR 122.A OG1 VAL 119.A O no hydrogen 2.574 N/A GLY 123.A N GLY 120.A O no hydrogen 3.179 N/A LEU 124.A N THR 122.A OG1 no hydrogen 3.354 N/A HIS 125.A N GLU 245.A OE2 no hydrogen 2.718 N/A LYS 128.A N HIS 125.A O no hydrogen 3.191 N/A LYS 128.A NZ LYS 240.A O no hydrogen 2.749 N/A LYS 128.A NZ HIS 242.A ND1 no hydrogen 2.902 N/A LYS 128.A NZ GLU 245.A OE1 no hydrogen 2.631 N/A GLY 130.A N HIS 160.A O no hydrogen 2.820 N/A LYS 131.A N ASN 154.A OD1 no hydrogen 3.107 N/A ALA 133.A N LEU 162.A O no hydrogen 3.074 N/A VAL 135.A N PHE 164.A O no hydrogen 2.936 N/A TYR 137.A N ASP 166.A OD2 no hydrogen 2.775 N/A TYR 137.A OH GLU 179.A OE1 no hydrogen 2.867 N/A GLU 139.A N TRP 142.A O no hydrogen 3.146 N/A TRP 142.A N GLU 139.A O no hydrogen 3.152 N/A TYR 148.A N THR 145.A O no hydrogen 2.631 N/A TYR 148.A OH GLU 188.A OE1 no hydrogen 2.540 N/A ASP 149.A N SER 146.A O no hydrogen 2.838 N/A VAL 150.A N SER 146.A O no hydrogen 3.287 N/A ILE 151.A N TYR 147.A O no hydrogen 3.338 N/A LYS 152.A N TYR 148.A O no hydrogen 3.187 N/A GLU 153.A N ASP 149.A O no hydrogen 2.794 N/A ASN 154.A N VAL 150.A O no hydrogen 2.974 N/A ASN 154.A ND2 LYS 131.A O no hydrogen 2.812 N/A ASN 154.A ND2 THR 161.A OG1 no hydrogen 3.025 N/A ALA 155.A N ILE 151.A O no hydrogen 2.904 N/A GLU 156.A N LYS 152.A O no hydrogen 3.183 N/A GLY 158.A N ALA 155.A O no hydrogen 3.172 N/A LEU 159.A N ASN 154.A O no hydrogen 2.880 N/A HIS 160.A N LYS 128.A O no hydrogen 2.888 N/A HIS 160.A NE2 GLU 245.A OE2 no hydrogen 2.893 N/A THR 161.A N VAL 237.A O no hydrogen 3.038 N/A LEU 163.A N LEU 235.A O no hydrogen 2.840 N/A PHE 164.A N ALA 133.A O no hydrogen 2.698 N/A ASP 166.A N VAL 135.A O no hydrogen 3.217 N/A ILE 167.A N ASP 166.A OD1 no hydrogen 2.768 N/A LYS 168.A N MET 173.A O no hydrogen 2.816 N/A ARG 172.A N ALA 169.A O no hydrogen 2.749 N/A MET 173.A N LYS 168.A O no hydrogen 2.979 N/A MET 175.A N ASP 166.A O no hydrogen 3.055 N/A THR 176.A N GLU 179.A OE1 no hydrogen 3.106 N/A THR 176.A OG1 ASN 178.A OD1 no hydrogen 3.380 N/A ALA 177.A N HIS 233.A ND1 no hydrogen 3.246 N/A ASN 178.A ND2 ILE 224.A O no hydrogen 3.223 N/A ASN 178.A ND2 GLU 226.A O no hydrogen 2.732 N/A GLU 179.A N THR 176.A OG1 no hydrogen 3.290 N/A ALA 180.A N THR 176.A O no hydrogen 3.009 N/A MET 181.A N ALA 177.A O no hydrogen 2.960 N/A GLU 182.A N ASN 178.A O no hydrogen 2.820 N/A LEU 183.A N GLU 179.A O no hydrogen 2.949 N/A LEU 184.A N ALA 180.A O no hydrogen 3.028 N/A LEU 185.A N MET 181.A O no hydrogen 2.907 N/A LYS 186.A N GLU 182.A O no hydrogen 3.214 N/A LYS 186.A NZ GLU 182.A O no hydrogen 3.510 N/A VAL 187.A N LEU 183.A O no hydrogen 3.075 N/A GLU 188.A N LEU 184.A O no hydrogen 2.867 N/A ASP 189.A N LEU 185.A O no hydrogen 3.193 N/A MET 190.A N LYS 186.A O no hydrogen 3.235 N/A LYS 191.A N VAL 187.A O no hydrogen 2.781 N/A LYS 192.A N GLU 188.A O no hydrogen 2.468 N/A GLY 193.A N TYR 148.A OH no hydrogen 3.178 N/A GLY 194.A N GLU 188.A OE2 no hydrogen 2.827 N/A VAL 195.A N GLU 188.A OE1 no hydrogen 2.915 N/A PHE 196.A N GLU 188.A OE1 no hydrogen 2.892 N/A THR 197.A N THR 200.A OG1 no hydrogen 3.113 N/A ASP 199.A N THR 197.A OG1 no hydrogen 3.117 N/A THR 200.A N THR 197.A O no hydrogen 3.159 N/A VAL 202.A N GLY 218.A O no hydrogen 2.721 N/A VAL 203.A N ILE 236.A O no hydrogen 2.786 N/A VAL 204.A N ARG 216.A O no hydrogen 2.636 N/A LEU 205.A N ILE 234.A O no hydrogen 3.392 N/A ALA 206.A N THR 214.A O no hydrogen 2.884 N/A ARG 207.A N PRO 232.A O no hydrogen 2.993 N/A ARG 207.A NH1 PHE 228.A O no hydrogen 2.969 N/A ARG 207.A NH1 ASP 230.A O no hydrogen 3.196 N/A ARG 207.A NH2 ASN 212.A O no hydrogen 3.535 N/A ARG 207.A NH2 THR 214.A OG1 no hydrogen 2.714 N/A SER 210.A N ARG 207.A O no hydrogen 3.262 N/A SER 210.A OG ARG 207.A O no hydrogen 3.080 N/A ASN 212.A N SER 210.A OG no hydrogen 3.305 N/A THR 214.A N ALA 206.A O no hydrogen 2.978 N/A THR 214.A OG1 PHE 228.A O no hydrogen 3.413 N/A ARG 216.A N VAL 204.A O no hydrogen 2.911 N/A ARG 216.A NE GLU 226.A OE2 no hydrogen 2.727 N/A ARG 216.A NH1 ALA 217.A O no hydrogen 2.812 N/A ARG 216.A NH1 ALA 253.A O no hydrogen 2.815 N/A ARG 216.A NH2 GLU 226.A OE1 no hydrogen 3.096 N/A ALA 217.A N ALA 253.A O no hydrogen 3.220 N/A GLY 218.A N VAL 202.A O no hydrogen 2.988 N/A TYR 219.A OH GLU 258.A OE2 no hydrogen 3.122 N/A VAL 220.A N THR 200.A O no hydrogen 3.037 N/A LYS 221.A N ASP 198.A O no hydrogen 3.069 N/A LYS 221.A NZ ASP 199.A OD1 no hydrogen 3.152 N/A ASP 222.A N TYR 219.A O no hydrogen 2.848 N/A LEU 223.A N TYR 219.A O no hydrogen 2.966 N/A LEU 223.A N VAL 220.A O no hydrogen 3.000 N/A ILE 224.A N VAL 220.A O no hydrogen 2.740 N/A GLU 226.A N LEU 223.A O no hydrogen 2.873 N/A GLY 229.A N ASP 227.A OD1 no hydrogen 3.141 N/A HIS 233.A NE2 GLY 229.A O no hydrogen 2.985 N/A ILE 234.A N LEU 205.A O no hydrogen 3.156 N/A LEU 235.A N LEU 163.A O no hydrogen 3.223 N/A ILE 236.A N VAL 203.A O no hydrogen 2.869 N/A VAL 237.A N THR 161.A O no hydrogen 3.104 N/A GLY 239.A N HIS 160.A ND1 no hydrogen 2.774 N/A LYS 240.A N GLY 158.A O no hydrogen 3.143 N/A ALA 246.A N HIS 242.A O no hydrogen 2.872 N/A GLU 247.A N ILE 243.A O no hydrogen 2.883 N/A TYR 248.A N VAL 244.A O no hydrogen 2.993 N/A TYR 248.A OH ILE 121.A O no hydrogen 2.718 N/A LEU 249.A N GLU 245.A O no hydrogen 2.917 N/A VAL 250.A N ALA 246.A O no hydrogen 3.007 N/A GLU 251.A N GLU 247.A O no hydrogen 2.778 N/A ILE 252.A N TYR 248.A O no hydrogen 2.660 N/A ALA 253.A N TYR 248.A O no hydrogen 3.397 N/A ALA 253.A N LEU 249.A O no hydrogen 2.907 N/A ALA 255.A N LEU 249.A O no hydrogen 3.103 N/A ILE 259.A N PRO 256.A O no hydrogen 2.761 N/A LEU 260.A N ARG 257.A O no hydrogen 3.077 N/A ARG 261.A N GLU 258.A O no hydrogen 3.207 N/A VAL 262.A N LEU 260.A O no hydrogen 2.700 N/A