Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4md9_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N TYR 260.A O no hydrogen 2.694 N/A SER 6.A OG ARG 7.A O no hydrogen 3.494 N/A SER 6.A OG HIS 308.A NE2 no hydrogen 2.816 N/A ARG 7.A NH1 SER 6.A O no hydrogen 3.120 N/A ALA 8.A N TYR 181.A OH no hydrogen 3.157 N/A ARG 9.A NH1 ARG 311.A O no hydrogen 3.235 N/A TYR 11.A OH ASP 144.A OD1 no hydrogen 3.178 N/A THR 12.A OG1 ALA 8.A O no hydrogen 3.022 N/A ASN 15.A ND2 GLY 150.A O no hydrogen 2.805 N/A ASN 15.A ND2 TYR 181.A O no hydrogen 2.759 N/A THR 16.A OG1 ASP 13.A O no hydrogen 3.415 N/A TYR 22.A N PRO 19.A O no hydrogen 3.431 N/A TYR 22.A OH MET 149.A O no hydrogen 2.848 N/A ASP 24.A N ARG 20.A O no hydrogen 3.192 N/A SER 27.A OG ASP 24.A OD2 no hydrogen 2.963 N/A HIS 28.A N TYR 25.A O no hydrogen 3.293 N/A GLY 33.A N ILE 99.A O no hydrogen 2.924 N/A GLN 35.A NE2 ASP 102.A OD1 no hydrogen 2.931 N/A ASP 36.A N ASN 34.A OD1 no hydrogen 3.238 N/A ASP 37.A N ASN 34.A O no hydrogen 3.253 N/A TYR 38.A N GLN 35.A O no hydrogen 3.418 N/A TYR 38.A OH ASP 98.A OD2 no hydrogen 2.940 N/A GLN 39.A N ILE 56.A O no hydrogen 3.106 N/A VAL 41.A N GLU 54.A O no hydrogen 2.910 N/A ARG 42.A N GLU 54.A O no hydrogen 3.133 N/A LEU 44.A N VAL 52.A O no hydrogen 3.188 N/A GLU 51.A N ILE 68.A O no hydrogen 2.862 N/A VAL 52.A N GLY 45.A O no hydrogen 2.983 N/A PHE 53.A N VAL 66.A O no hydrogen 2.964 N/A GLU 54.A N ARG 42.A O no hydrogen 2.751 N/A ALA 55.A N VAL 64.A O no hydrogen 2.705 N/A ILE 56.A N GLN 39.A O no hydrogen 2.963 N/A ASN 57.A N GLU 62.A O no hydrogen 2.680 N/A ILE 58.A N ASP 37.A O no hydrogen 2.844 N/A THR 59.A N ASN 57.A OD1 no hydrogen 3.144 N/A THR 59.A OG1 ASN 57.A OD1 no hydrogen 2.630 N/A GLU 62.A N ASN 60.A OD1 no hydrogen 3.312 N/A LYS 63.A NZ GLU 54.A OE2 no hydrogen 3.495 N/A VAL 64.A N ALA 55.A O no hydrogen 2.781 N/A VAL 65.A N PHE 112.A O no hydrogen 3.394 N/A VAL 66.A N PHE 53.A O no hydrogen 2.792 N/A LYS 67.A N LEU 110.A O no hydrogen 2.708 N/A LYS 67.A NZ GLU 80.A OE1 no hydrogen 3.388 N/A LYS 67.A NZ GLU 80.A OE2 no hydrogen 2.784 N/A LYS 67.A NZ ASP 174.A OD2 no hydrogen 3.402 N/A ILE 68.A N GLU 51.A O no hydrogen 2.889 N/A LEU 69.A N PRO 108.A O no hydrogen 3.042 N/A LYS 70.A N TYR 49.A O no hydrogen 2.705 N/A ILE 77.A N LYS 73.A O no hydrogen 3.260 N/A LYS 78.A N LYS 74.A O no hydrogen 3.172 N/A LYS 78.A NZ HIS 28.A O no hydrogen 2.750 N/A ARG 79.A N LYS 75.A O no hydrogen 2.757 N/A ARG 79.A NH1 GLY 176.A O no hydrogen 3.533 N/A GLU 80.A N LYS 76.A O no hydrogen 3.277 N/A ILE 81.A N ILE 77.A O no hydrogen 3.186 N/A LYS 82.A N LYS 78.A O no hydrogen 2.980 N/A LYS 82.A NZ ASN 86.A OD1 no hydrogen 3.426 N/A ILE 83.A N ARG 79.A O no hydrogen 3.170 N/A LEU 84.A N GLU 80.A O no hydrogen 3.201 N/A GLU 85.A N ILE 81.A O no hydrogen 3.041 N/A ASN 86.A N LYS 82.A O no hydrogen 3.049 N/A ASN 86.A ND2 TYR 22.A O no hydrogen 3.380 N/A LEU 87.A N ILE 83.A O no hydrogen 3.137 N/A ARG 88.A N GLU 85.A O no hydrogen 3.414 N/A ARG 88.A NH1 LEU 96.A O no hydrogen 2.771 N/A GLY 90.A N LEU 87.A O no hydrogen 3.074 N/A ASN 92.A ND2 GLU 138.A O no hydrogen 2.925 N/A ASN 92.A ND2 GLU 138.A OE1 no hydrogen 3.037 N/A ILE 93.A N GLY 90.A O no hydrogen 3.350 N/A THR 95.A N GLU 113.A OE2 no hydrogen 3.402 N/A THR 95.A OG1 GLU 113.A OE2 no hydrogen 3.247 N/A ALA 97.A N VAL 111.A O no hydrogen 2.774 N/A ASP 98.A N VAL 111.A O no hydrogen 3.129 N/A ILE 99.A N ASP 98.A OD1 no hydrogen 2.914 N/A VAL 100.A N ALA 109.A O no hydrogen 3.076 N/A SER 105.A N ASP 102.A OD2 no hydrogen 3.127 N/A SER 105.A OG THR 107.A OG1 no hydrogen 2.683 N/A ARG 106.A N ASP 102.A O no hydrogen 2.733 N/A THR 107.A OG1 SER 105.A OG no hydrogen 2.683 N/A ALA 109.A N VAL 100.A O no hydrogen 2.731 N/A LEU 110.A N LYS 67.A O no hydrogen 2.858 N/A VAL 111.A N ASP 98.A O no hydrogen 2.776 N/A PHE 112.A N VAL 65.A O no hydrogen 2.698 N/A GLU 113.A N THR 95.A O no hydrogen 3.269 N/A ASN 117.A ND2 ASN 117.A O no hydrogen 2.518 N/A THR 118.A N ILE 163.A O no hydrogen 3.338 N/A THR 118.A OG1 ILE 163.A O no hydrogen 3.161 N/A GLN 122.A N ASP 119.A O no hydrogen 2.880 N/A GLN 122.A NE2 ASP 119.A O no hydrogen 2.939 N/A LEU 123.A N ASP 119.A O no hydrogen 3.399 N/A TYR 124.A N GLU 120.A O no hydrogen 3.081 N/A THR 126.A N LEU 123.A O no hydrogen 3.111 N/A THR 126.A OG1 GLN 122.A O no hydrogen 2.775 N/A LEU 127.A N LEU 123.A O no hydrogen 2.763 N/A THR 128.A N ASP 131.A OD2 no hydrogen 3.413 N/A ILE 132.A N THR 128.A O no hydrogen 3.240 N/A ARG 133.A N ASP 129.A O no hydrogen 3.339 N/A ARG 133.A NH2 SER 293.A OG no hydrogen 3.023 N/A PHE 134.A N TYR 130.A O no hydrogen 2.907 N/A TYR 135.A N ASP 131.A O no hydrogen 2.993 N/A TYR 135.A OH HIS 165.A ND1 no hydrogen 2.771 N/A MET 136.A N ILE 132.A O no hydrogen 2.868 N/A TYR 137.A N PHE 134.A O no hydrogen 3.164 N/A GLU 138.A N PHE 134.A O no hydrogen 3.260 N/A GLU 138.A N TYR 135.A O no hydrogen 3.038 N/A ILE 139.A N TYR 135.A O no hydrogen 3.080 N/A LEU 140.A N MET 136.A O no hydrogen 3.328 N/A LYS 141.A N TYR 137.A O no hydrogen 3.118 N/A ALA 142.A N GLU 138.A O no hydrogen 3.132 N/A LEU 143.A N ILE 139.A O no hydrogen 2.802 N/A ASP 144.A N LEU 140.A O no hydrogen 2.769 N/A TYR 145.A N LYS 141.A O no hydrogen 3.297 N/A CYS 146.A N ALA 142.A O no hydrogen 3.158 N/A CYS 146.A SG ALA 142.A O no hydrogen 3.602 N/A CYS 146.A SG LEU 143.A O no hydrogen 3.502 N/A CYS 146.A SG ILE 151.A O no hydrogen 3.797 N/A HIS 147.A N LEU 143.A O no hydrogen 2.951 N/A HIS 147.A NE2 ASP 213.A OD2 no hydrogen 2.869 N/A SER 148.A N ASP 144.A O no hydrogen 3.143 N/A SER 148.A OG ASP 144.A O no hydrogen 3.359 N/A SER 148.A OG TYR 145.A O no hydrogen 2.525 N/A MET 149.A N TYR 145.A O no hydrogen 3.001 N/A GLY 150.A N HIS 147.A O no hydrogen 3.270 N/A ILE 151.A N CYS 146.A O no hydrogen 2.810 N/A MET 152.A N GLU 179.A O no hydrogen 3.065 N/A HIS 153.A N ASP 213.A OD2 no hydrogen 2.790 N/A HIS 153.A NE2 ILE 173.A O no hydrogen 2.890 N/A ARG 154.A N ASP 213.A OD1 no hydrogen 2.783 N/A ARG 154.A NE LEU 177.A O no hydrogen 3.031 N/A ARG 154.A NH1 TYR 208.A OH no hydrogen 2.725 N/A ARG 154.A NH2 LEU 177.A O no hydrogen 3.494 N/A ASP 155.A N HIS 153.A ND1 no hydrogen 3.274 N/A LYS 157.A NZ SER 193.A OG no hydrogen 2.790 N/A ASN 160.A N LYS 157.A O no hydrogen 2.754 N/A ASN 160.A ND2 ASP 155.A O no hydrogen 3.107 N/A ASN 160.A ND2 ASP 155.A OD2 no hydrogen 3.299 N/A MET 162.A N ARG 171.A O no hydrogen 2.956 N/A ASP 164.A N LYS 169.A O no hydrogen 2.821 N/A HIS 165.A N THR 118.A OG1 no hydrogen 3.254 N/A HIS 165.A ND1 TYR 135.A OH no hydrogen 2.771 N/A HIS 167.A N ASP 164.A O no hydrogen 3.222 N/A HIS 167.A ND1 ASP 164.A OD2 no hydrogen 3.163 N/A LYS 169.A N ASP 164.A O no hydrogen 2.992 N/A ARG 171.A N MET 162.A O no hydrogen 3.103 N/A ARG 171.A NE GLU 113.A OE2 no hydrogen 3.318 N/A ARG 171.A NH1 LEU 170.A O no hydrogen 3.504 N/A LEU 172.A N ASN 92.A O no hydrogen 2.797 N/A ILE 173.A N ASN 160.A O no hydrogen 2.938 N/A TRP 175.A NE1 LEU 172.A O no hydrogen 2.752 N/A GLU 179.A N MET 152.A O no hydrogen 3.182 N/A PHE 180.A N GLU 179.A OE2 no hydrogen 3.225 N/A TYR 181.A N GLY 150.A O no hydrogen 3.186 N/A HIS 182.A N TYR 187.A OH no hydrogen 2.788 N/A GLN 185.A N HIS 182.A O no hydrogen 3.203 N/A TYR 187.A N GLN 206.A O no hydrogen 2.708 N/A TYR 187.A OH PHE 180.A O no hydrogen 3.035 N/A ARG 194.A NH1 GLY 234.A O no hydrogen 2.996 N/A PHE 196.A N SER 193.A O no hydrogen 2.808 N/A LYS 197.A N ARG 194.A O no hydrogen 3.476 N/A LYS 197.A NZ VAL 189.A O no hydrogen 3.519 N/A GLU 200.A N GLU 200.A OE1 no hydrogen 2.722 N/A LEU 201.A N GLY 198.A O no hydrogen 3.058 N/A LEU 202.A N GLY 198.A O no hydrogen 3.448 N/A VAL 203.A N PRO 199.A O no hydrogen 3.196 N/A ASP 204.A N LEU 201.A O no hydrogen 3.468 N/A TYR 205.A N GLU 200.A O no hydrogen 2.839 N/A TYR 205.A OH VAL 4.A O no hydrogen 2.514 N/A GLN 206.A NE2 TYR 187.A O no hydrogen 3.365 N/A TYR 208.A OH ASN 188.A O no hydrogen 2.652 N/A TYR 210.A OH TYR 11.A O no hydrogen 2.978 N/A SER 211.A N ASP 209.A OD2 no hydrogen 2.994 N/A SER 211.A OG ASP 209.A OD2 no hydrogen 2.724 N/A SER 211.A OG HIS 308.A O no hydrogen 3.333 N/A LEU 212.A N ASP 209.A O no hydrogen 3.210 N/A ASP 213.A N TYR 210.A O no hydrogen 3.048 N/A TRP 215.A N SER 211.A O no hydrogen 3.274 N/A TRP 215.A N LEU 212.A O no hydrogen 3.249 N/A SER 216.A N LEU 212.A O no hydrogen 3.352 N/A SER 216.A OG PHE 196.A O no hydrogen 2.866 N/A SER 216.A OG LEU 212.A O no hydrogen 3.310 N/A LEU 217.A N ASP 213.A O no hydrogen 2.934 N/A GLY 218.A N MET 214.A O no hydrogen 3.164 N/A CYS 219.A N TRP 215.A O no hydrogen 3.157 N/A CYS 219.A SG TYR 195.A O no hydrogen 3.947 N/A CYS 219.A SG TRP 215.A O no hydrogen 3.667 N/A MET 220.A N SER 216.A O no hydrogen 3.151 N/A LEU 221.A N LEU 217.A O no hydrogen 3.084 N/A ALA 222.A N GLY 218.A O no hydrogen 2.721 N/A SER 223.A N MET 220.A O no hydrogen 3.118 N/A SER 223.A OG LYS 228.A O no hydrogen 3.296 N/A MET 224.A N MET 220.A O no hydrogen 3.158 N/A MET 224.A N LEU 221.A O no hydrogen 3.248 N/A ILE 225.A N LEU 221.A O no hydrogen 3.069 N/A ARG 227.A N MET 224.A O no hydrogen 3.401 N/A ARG 227.A NH1 GLU 287.A O no hydrogen 3.032 N/A ARG 227.A NH2 TYR 124.A O no hydrogen 2.659 N/A LYS 228.A N SER 223.A O no hydrogen 3.125 N/A LYS 228.A NZ PHE 231.A O no hydrogen 2.844 N/A HIS 235.A N ASP 239.A OD2 no hydrogen 3.306 N/A ASP 239.A N ASP 236.A OD1 no hydrogen 2.756 N/A GLN 240.A N ASP 236.A O no hydrogen 3.081 N/A GLN 240.A NE2 PHE 232.A O no hydrogen 2.718 N/A ARG 243.A N ASP 239.A O no hydrogen 2.982 N/A ILE 244.A N GLN 240.A O no hydrogen 3.130 N/A ALA 245.A N LEU 241.A O no hydrogen 2.661 N/A LYS 246.A N VAL 242.A O no hydrogen 2.923 N/A VAL 247.A N ILE 244.A O no hydrogen 3.269 N/A LEU 248.A N ILE 244.A O no hydrogen 3.008 N/A THR 250.A N HIS 275.A O no hydrogen 2.862 N/A THR 250.A OG1 GLU 251.A OE1 no hydrogen 3.550 N/A THR 250.A OG1 HIS 275.A O no hydrogen 3.149 N/A TYR 254.A N THR 250.A O no hydrogen 3.017 N/A ASP 255.A N GLU 251.A O no hydrogen 3.090 N/A TYR 256.A N ASP 252.A O no hydrogen 3.045 N/A TYR 256.A N LEU 253.A O no hydrogen 3.199 N/A TYR 256.A OH HIS 308.A ND1 no hydrogen 3.260 N/A ILE 257.A N LEU 253.A O no hydrogen 3.142 N/A ASP 258.A N TYR 254.A O no hydrogen 3.223 N/A LYS 259.A N ASP 255.A O no hydrogen 3.366 N/A LYS 259.A NZ ASP 307.A OD2 no hydrogen 3.274 N/A TYR 260.A OH ASP 307.A OD1 no hydrogen 2.747 N/A TYR 260.A OH ASP 307.A OD2 no hydrogen 3.298 N/A ILE 262.A N ILE 257.A O no hydrogen 2.814 N/A PHE 268.A N ASP 265.A O no hydrogen 3.131 N/A LEU 272.A N PHE 268.A O no hydrogen 3.265 N/A HIS 275.A N THR 250.A OG1 no hydrogen 3.054 N/A ARG 277.A NH1 LEU 248.A O no hydrogen 3.462 N/A ARG 277.A NH2 ASP 301.A OD1 no hydrogen 2.727 N/A LYS 278.A N VAL 247.A O no hydrogen 3.116 N/A TRP 280.A NE1 ASP 301.A OD1 no hydrogen 2.814 N/A GLU 281.A N GLU 281.A OE2 no hydrogen 2.950 N/A ARG 282.A N ARG 279.A O no hydrogen 3.385 N/A VAL 284.A N GLU 281.A O no hydrogen 3.374 N/A HIS 285.A N ASN 288.A OD1 no hydrogen 3.319 N/A SER 286.A OG GLU 287.A OE1 no hydrogen 2.645 N/A ASN 288.A N HIS 285.A O no hydrogen 3.078 N/A LEU 291.A N ASN 288.A O no hydrogen 3.219 N/A GLU 295.A N GLU 295.A OE1 no hydrogen 2.939 N/A ALA 296.A N SER 293.A O no hydrogen 2.944 N/A LEU 297.A N SER 293.A O no hydrogen 3.058 N/A PHE 299.A N GLU 295.A O no hydrogen 3.256 N/A LEU 300.A N ALA 296.A O no hydrogen 3.047 N/A ASP 301.A N LEU 297.A O no hydrogen 3.279 N/A LYS 302.A N ASP 298.A O no hydrogen 3.338 N/A LEU 303.A N LEU 300.A O no hydrogen 2.982 N/A LEU 304.A N LEU 300.A O no hydrogen 2.888 N/A ARG 305.A N LEU 303.A O no hydrogen 3.116 N/A ARG 305.A NE ASP 301.A O no hydrogen 3.579 N/A TYR 306.A OH GLY 249.A O no hydrogen 2.699 N/A HIS 308.A NE2 SER 6.A OG no hydrogen 2.816 N/A GLN 309.A N ASP 307.A OD1 no hydrogen 2.910 N/A GLN 309.A NE2 SER 6.A OG no hydrogen 3.287 N/A SER 310.A N ASP 307.A O no hydrogen 3.339 N/A SER 310.A OG ASP 307.A O no hydrogen 2.705 N/A ARG 311.A NE ARG 305.A O no hydrogen 3.015 N/A ARG 311.A NH1 GLU 200.A OE1 no hydrogen 3.432 N/A ARG 311.A NH1 GLU 200.A OE2 no hydrogen 2.800 N/A ARG 311.A NH1 SER 211.A O no hydrogen 3.100 N/A ARG 311.A NH2 GLU 200.A OE1 no hydrogen 2.623 N/A ARG 311.A NH2 GLU 200.A OE2 no hydrogen 3.488 N/A ARG 311.A NH2 ARG 305.A O no hydrogen 3.364 N/A ARG 311.A NH2 TYR 306.A O no hydrogen 3.552 N/A LEU 312.A N LYS 302.A O no hydrogen 3.075 N/A THR 313.A N GLU 316.A OE1 no hydrogen 3.342 N/A GLU 316.A N THR 313.A OG1 no hydrogen 3.356 N/A ALA 317.A N THR 313.A O no hydrogen 2.966 N/A HIS 320.A N ALA 317.A O no hydrogen 3.307 N/A HIS 320.A NE2 ASP 298.A OD2 no hydrogen 2.786 N/A TYR 322.A N HIS 320.A ND1 no hydrogen 3.111 N/A PHE 323.A N HIS 320.A O no hydrogen 2.920 N/A TYR 324.A N PRO 321.A O no hydrogen 3.283 N/A VAL 326.A N PHE 323.A O no hydrogen 3.199 N/A VAL 327.A N PHE 323.A O no hydrogen 2.810 N/A