Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5bug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N GLU 144.A O no hydrogen 2.567 N/A ARG 1.A N GLU 144.A OE2 no hydrogen 3.501 N/A GLU 5.A N LEU 10.A O no hydrogen 2.875 N/A LEU 10.A N GLU 5.A O no hydrogen 3.002 N/A ASP 11.A N ASN 35.A OD1 no hydrogen 2.841 N/A THR 13.A N ALA 21.A O no hydrogen 2.799 N/A THR 13.A OG1 ARG 2.A O no hydrogen 3.462 N/A TYR 14.A OH HIS 48.A NE2 no hydrogen 2.512 N/A ILE 15.A N ILE 19.A O no hydrogen 2.844 N/A TYR 16.A N ILE 19.A O no hydrogen 3.381 N/A ILE 19.A N TYR 16.A O no hydrogen 3.058 N/A ILE 20.A N ALA 107.A O no hydrogen 2.714 N/A ALA 21.A N THR 13.A O no hydrogen 2.824 N/A MET 22.A N ILE 109.A O no hydrogen 2.978 N/A GLY 23.A N ASP 11.A O no hydrogen 3.028 N/A PHE 24.A N LYS 112.A O no hydrogen 3.286 N/A ALA 26.A N ASN 35.A O no hydrogen 2.991 N/A ARG 34.A NH2 ALA 113.A O no hydrogen 2.846 N/A ASN 35.A ND2 ASP 11.A O no hydrogen 3.112 N/A ILE 37.A N ALA 26.A O no hydrogen 3.177 N/A ASP 38.A N ASN 36.A OD1 no hydrogen 3.341 N/A ASP 39.A N ASN 36.A O no hydrogen 2.957 N/A VAL 40.A N ASN 36.A O no hydrogen 3.133 N/A VAL 41.A N ILE 37.A O no hydrogen 2.831 N/A ARG 42.A N ASP 38.A O no hydrogen 3.029 N/A PHE 43.A N ASP 39.A O no hydrogen 2.742 N/A LEU 44.A N VAL 40.A O no hydrogen 2.828 N/A ASP 45.A N VAL 41.A O no hydrogen 2.780 N/A SER 46.A N ARG 42.A O no hydrogen 2.944 N/A SER 46.A OG ARG 42.A O no hydrogen 2.734 N/A SER 46.A OG PHE 43.A O no hydrogen 2.843 N/A LYS 47.A N PHE 43.A O no hydrogen 2.805 N/A HIS 48.A N LEU 44.A O no hydrogen 2.636 N/A HIS 48.A NE2 TYR 14.A OH no hydrogen 2.512 N/A HIS 51.A N HIS 48.A O no hydrogen 2.737 N/A TYR 52.A OH ASP 45.A OD1 no hydrogen 3.178 N/A LYS 53.A N VAL 106.A O no hydrogen 3.067 N/A ILE 54.A N ARG 71.A O no hydrogen 3.025 N/A TYR 55.A N ALA 108.A O no hydrogen 2.828 N/A TYR 55.A OH ASP 94.A OD1 no hydrogen 2.580 N/A ASN 56.A N ALA 73.A O no hydrogen 2.741 N/A ASN 56.A ND2 ARG 61.A O no hydrogen 3.657 N/A LEU 57.A N HIS 110.A O no hydrogen 3.061 N/A CYS 58.A N ASN 56.A OD1 no hydrogen 2.788 N/A TYR 63.A OH HIS 110.A NE2 no hydrogen 2.747 N/A LYS 67.A N ASP 64.A O no hydrogen 3.032 N/A PHE 68.A N THR 65.A O no hydrogen 3.237 N/A CYS 70.A SG ARG 71.A O no hydrogen 3.256 N/A ALA 73.A N ILE 54.A O no hydrogen 2.850 N/A TYR 75.A N ASN 56.A O no hydrogen 2.951 N/A TYR 75.A OH ASP 94.A OD2 no hydrogen 2.553 N/A PHE 77.A N LEU 57.A O no hydrogen 3.385 N/A ASN 81.A N GLU 78.A O no hydrogen 3.158 N/A GLN 84.A N GLN 84.A OE1 no hydrogen 3.133 N/A LEU 85.A N ASP 239.A OD2 no hydrogen 3.115 N/A LEU 87.A N GLN 84.A O no hydrogen 2.992 N/A ILE 88.A N LEU 85.A O no hydrogen 3.278 N/A PHE 91.A N LEU 87.A O no hydrogen 3.380 N/A CYS 92.A N ILE 88.A O no hydrogen 2.854 N/A CYS 92.A SG ILE 88.A O no hydrogen 3.289 N/A CYS 92.A SG TYR 165.A OH no hydrogen 3.906 N/A GLU 93.A N LYS 89.A O no hydrogen 2.926 N/A ASP 94.A N PRO 90.A O no hydrogen 2.806 N/A LEU 95.A N PHE 91.A O no hydrogen 2.843 N/A ASP 96.A N CYS 92.A O no hydrogen 2.703 N/A GLN 97.A N GLU 93.A O no hydrogen 2.943 N/A TRP 98.A N ASP 94.A O no hydrogen 3.045 N/A TRP 98.A NE1 VAL 106.A O no hydrogen 2.747 N/A LEU 99.A N LEU 95.A O no hydrogen 3.111 N/A SER 100.A N ASP 96.A O no hydrogen 3.040 N/A SER 100.A OG ASP 96.A O no hydrogen 2.817 N/A SER 100.A OG GLN 97.A O no hydrogen 3.220 N/A GLU 101.A N TRP 98.A O no hydrogen 3.344 N/A ASN 104.A N ASP 102.A OD1 no hydrogen 2.782 N/A HIS 105.A N ASP 102.A O no hydrogen 3.104 N/A HIS 105.A ND1 TRP 98.A O no hydrogen 2.817 N/A VAL 106.A N HIS 51.A O no hydrogen 2.621 N/A ALA 107.A N ASN 18.A O no hydrogen 2.817 N/A ALA 108.A N LYS 53.A O no hydrogen 2.946 N/A ILE 109.A N ILE 20.A O no hydrogen 2.697 N/A HIS 110.A N TYR 55.A O no hydrogen 3.232 N/A HIS 110.A ND1 CYS 111.A O no hydrogen 3.125 N/A HIS 110.A NE2 TYR 63.A OH no hydrogen 2.747 N/A LYS 112.A NZ GLU 60.A OE1 no hydrogen 2.280 N/A LYS 112.A NZ GLU 60.A OE2 no hydrogen 2.982 N/A ARG 117.A NH1 PHE 77.A O no hydrogen 2.599 N/A ARG 117.A NH2 GLU 60.A OE2 no hydrogen 3.177 N/A GLY 119.A N LYS 115.A O no hydrogen 2.832 N/A VAL 120.A N GLY 116.A O no hydrogen 2.895 N/A MET 121.A N ARG 117.A O no hydrogen 3.200 N/A ILE 122.A N THR 118.A O no hydrogen 2.906 N/A CYS 123.A N GLY 119.A O no hydrogen 2.992 N/A CYS 123.A SG GLY 119.A O no hydrogen 2.953 N/A CYS 123.A SG ALA 138.A O no hydrogen 3.374 N/A ALA 124.A N VAL 120.A O no hydrogen 2.940 N/A TYR 125.A N MET 121.A O no hydrogen 3.056 N/A TYR 125.A OH ASP 96.A OD1 no hydrogen 2.846 N/A LEU 126.A N ILE 122.A O no hydrogen 3.091 N/A LEU 127.A N CYS 123.A O no hydrogen 3.121 N/A HIS 128.A N ALA 124.A O no hydrogen 2.770 N/A HIS 128.A ND1 TYR 165.A OH no hydrogen 2.712 N/A ARG 129.A N TYR 125.A O no hydrogen 2.744 N/A GLY 130.A N LEU 127.A O no hydrogen 2.908 N/A PHE 132.A N LEU 126.A O no hydrogen 3.201 N/A LEU 133.A N GLU 137.A OE2 no hydrogen 3.333 N/A ALA 138.A N LYS 134.A O no hydrogen 3.334 N/A LEU 139.A N ALA 135.A O no hydrogen 3.006 N/A ASP 140.A N GLN 136.A O no hydrogen 2.905 N/A PHE 141.A N GLU 137.A O no hydrogen 2.972 N/A TYR 142.A N ALA 138.A O no hydrogen 2.964 N/A TYR 142.A OH LYS 115.A O no hydrogen 2.754 N/A GLY 143.A N LEU 139.A O no hydrogen 2.917 N/A GLU 144.A N ASP 140.A O no hydrogen 2.868 N/A VAL 145.A N PHE 141.A O no hydrogen 2.944 N/A ARG 146.A N TYR 142.A O no hydrogen 2.825 N/A ARG 146.A NE GLY 114.A O no hydrogen 2.730 N/A ARG 146.A NH1 THR 13.A OG1 no hydrogen 2.637 N/A ARG 146.A NH2 ASP 11.A OD1 no hydrogen 2.733 N/A ARG 146.A NH2 ALA 113.A O no hydrogen 3.325 N/A ARG 146.A NH2 GLY 114.A O no hydrogen 3.275 N/A THR 147.A N GLY 143.A O no hydrogen 3.124 N/A THR 147.A OG1 GLY 143.A O no hydrogen 2.609 N/A THR 147.A OG1 ASP 149.A OD1 no hydrogen 3.486 N/A ASP 149.A N ASP 149.A OD1 no hydrogen 2.560 N/A LYS 151.A N THR 147.A OG1 no hydrogen 2.928 N/A SER 157.A N ASP 289.A OD1 no hydrogen 2.982 N/A SER 157.A OG ASP 289.A OD1 no hydrogen 3.020 N/A SER 157.A OG ASP 289.A OD2 no hydrogen 2.756 N/A GLN 158.A NE2 ASN 81.A O no hydrogen 3.024 N/A ARG 159.A N ILE 155.A O no hydrogen 3.036 N/A ARG 159.A NH1 VAL 153.A O no hydrogen 2.871 N/A ARG 160.A N PRO 156.A O no hydrogen 2.818 N/A ARG 160.A NH1 TRP 261.A O no hydrogen 2.823 N/A ARG 160.A NH2 ASP 287.A O no hydrogen 2.960 N/A TYR 161.A N SER 157.A O no hydrogen 3.258 N/A TYR 161.A OH ASP 239.A OD1 no hydrogen 2.726 N/A VAL 162.A N ARG 159.A O no hydrogen 3.274 N/A TYR 163.A N ARG 159.A O no hydrogen 3.171 N/A TYR 164.A N ARG 160.A O no hydrogen 2.788 N/A TYR 165.A N TYR 161.A O no hydrogen 3.103 N/A TYR 165.A OH HIS 128.A ND1 no hydrogen 2.712 N/A SER 166.A N VAL 162.A O no hydrogen 2.959 N/A TYR 167.A N TYR 163.A O no hydrogen 2.947 N/A LEU 168.A N TYR 164.A O no hydrogen 3.031 N/A LEU 169.A N TYR 165.A O no hydrogen 3.017 N/A LYS 170.A N SER 166.A O no hydrogen 2.882 N/A ASN 171.A N TYR 167.A O no hydrogen 3.215 N/A HIS 172.A N LEU 169.A O no hydrogen 3.226 N/A LEU 173.A N LEU 168.A O no hydrogen 2.951 N/A LEU 180.A N VAL 236.A O no hydrogen 3.005 N/A LEU 181.A N THR 311.A O no hydrogen 2.703 N/A PHE 182.A N LEU 234.A O no hydrogen 2.735 N/A HIS 183.A N TYR 309.A O no hydrogen 2.915 N/A HIS 183.A NE2 THR 311.A OG1 no hydrogen 2.638 N/A LYS 184.A N TYR 309.A O no hydrogen 3.477 N/A MET 185.A N PHE 228.A O no hydrogen 2.854 N/A MET 186.A N LYS 307.A O no hydrogen 2.917 N/A PHE 187.A N MET 226.A O no hydrogen 2.744 N/A GLU 188.A N LYS 305.A O no hydrogen 2.794 N/A MET 192.A N TYR 299.A O no hydrogen 2.730 N/A PHE 193.A N THR 197.A O no hydrogen 2.854 N/A SER 194.A N THR 197.A O no hydrogen 3.098 N/A SER 194.A OG HIS 246.A NE2 no hydrogen 3.293 N/A CYS 198.A SG PRO 191.A O no hydrogen 3.663 N/A ASN 199.A N HIS 246.A ND1 no hydrogen 3.197 N/A GLN 201.A N PHE 245.A O no hydrogen 2.725 N/A GLN 201.A NE2 SER 214.A O no hydrogen 2.756 N/A PHE 202.A N SER 214.A OG no hydrogen 2.873 N/A VAL 203.A N GLU 243.A O no hydrogen 2.966 N/A VAL 204.A N TYR 212.A O no hydrogen 2.837 N/A CYS 205.A N LYS 241.A O no hydrogen 2.832 N/A GLN 206.A N VAL 209.A O no hydrogen 2.850 N/A LEU 207.A N ASP 239.A O no hydrogen 3.053 N/A VAL 209.A N GLN 206.A O no hydrogen 3.193 N/A ILE 211.A N VAL 204.A O no hydrogen 2.901 N/A TYR 212.A N VAL 204.A O no hydrogen 3.289 N/A SER 214.A N PHE 202.A O no hydrogen 2.950 N/A SER 214.A OG PHE 202.A O no hydrogen 3.379 N/A SER 214.A OG ASN 215.A O no hydrogen 3.356 N/A SER 216.A OG ASN 199.A OD1 no hydrogen 2.558 N/A GLY 217.A N PRO 200.A O no hydrogen 2.712 N/A THR 219.A N TYR 227.A O no hydrogen 2.926 N/A THR 219.A OG1 TYR 227.A O no hydrogen 2.929 N/A THR 219.A OG1 GLU 229.A OE1 no hydrogen 2.634 N/A ARG 220.A N TYR 227.A O no hydrogen 3.419 N/A ARG 220.A NH1 GLU 222.A OE2 no hydrogen 3.068 N/A ARG 221.A NE ASP 223.A O no hydrogen 2.607 N/A ARG 221.A NH2 ASP 223.A O no hydrogen 3.061 N/A GLU 222.A N PHE 225.A O no hydrogen 2.884 N/A PHE 225.A N GLU 222.A O no hydrogen 2.937 N/A MET 226.A N PHE 187.A O no hydrogen 3.313 N/A TYR 227.A N ARG 220.A O no hydrogen 2.979 N/A TYR 227.A OH GLU 222.A OE1 no hydrogen 3.417 N/A PHE 228.A N MET 185.A O no hydrogen 2.787 N/A GLU 229.A N THR 219.A OG1 no hydrogen 2.958 N/A PHE 230.A N HIS 183.A O no hydrogen 3.166 N/A LEU 234.A N PHE 182.A O no hydrogen 2.739 N/A VAL 236.A N LEU 180.A O no hydrogen 2.992 N/A CYS 237.A N GLN 206.A OE1 no hydrogen 2.708 N/A GLY 238.A N THR 264.A OG1 no hydrogen 3.031 N/A ILE 240.A N VAL 262.A O no hydrogen 2.800 N/A LYS 241.A N CYS 205.A O no hydrogen 2.859 N/A VAL 242.A N PHE 260.A O no hydrogen 2.870 N/A GLU 243.A N VAL 203.A O no hydrogen 2.972 N/A PHE 244.A N PHE 258.A O no hydrogen 2.782 N/A PHE 245.A N GLN 201.A O no hydrogen 2.697 N/A HIS 246.A N ASP 255.A O no hydrogen 2.682 N/A LYS 247.A N ASN 199.A O no hydrogen 3.138 N/A GLN 248.A NE2 SER 194.A OG no hydrogen 2.025 N/A MET 251.A N GLN 248.A O no hydrogen 2.617 N/A LEU 252.A N LYS 250.A O no hydrogen 2.543 N/A LYS 253.A NZ LYS 254.A O no hydrogen 3.454 N/A LYS 254.A NZ GLN 201.A OE1 no hydrogen 3.229 N/A ASP 255.A N HIS 246.A O no hydrogen 2.647 N/A LYS 256.A NZ GLU 243.A OE2 no hydrogen 3.506 N/A MET 257.A N PHE 244.A O no hydrogen 2.858 N/A PHE 258.A N PHE 244.A O no hydrogen 3.430 N/A PHE 260.A N VAL 242.A O no hydrogen 2.904 N/A TRP 261.A N SER 157.A OG no hydrogen 3.099 N/A TRP 261.A NE1 ASN 81.A OD1 no hydrogen 2.791 N/A VAL 262.A N ILE 240.A O no hydrogen 2.835 N/A ASN 263.A N TYR 164.A OH no hydrogen 3.100 N/A ASN 263.A ND2 TYR 175.A OH no hydrogen 3.294 N/A ASN 263.A ND2 ASP 239.A OD1 no hydrogen 2.681 N/A THR 264.A N GLY 238.A O no hydrogen 3.017 N/A THR 264.A OG1 VAL 178.A O no hydrogen 2.575 N/A PHE 265.A N ASN 263.A OD1 no hydrogen 2.934 N/A PHE 266.A N ASN 263.A O no hydrogen 2.931 N/A ASP 275.A N ASN 274.A OD1 no hydrogen 3.243 N/A LYS 276.A N ASP 275.A OD1 no hydrogen 2.730 N/A LEU 279.A N PHE 310.A O no hydrogen 2.733 N/A LEU 281.A N LEU 308.A O no hydrogen 2.917 N/A LEU 283.A N VAL 306.A O no hydrogen 2.814 N/A THR 284.A N ASP 287.A OD2 no hydrogen 3.005 N/A THR 284.A OG1 ASP 287.A OD2 no hydrogen 3.067 N/A LYS 285.A N PHE 304.A O no hydrogen 2.890 N/A LYS 285.A NZ ASP 294.A O no hydrogen 2.841 N/A LYS 285.A NZ ASP 294.A OD2 no hydrogen 3.265 N/A LYS 285.A NZ ASN 297.A OD1 no hydrogen 2.920 N/A LYS 285.A NZ PHE 300.A O no hydrogen 2.769 N/A ASP 287.A N THR 284.A O no hydrogen 2.857 N/A LEU 288.A N LYS 285.A O no hydrogen 3.019 N/A ASP 289.A N HIS 259.A O no hydrogen 2.824 N/A ASN 292.A N LEU 288.A O no hydrogen 3.373 N/A LYS 293.A N LYS 290.A O no hydrogen 3.164 N/A ASP 294.A N ALA 291.A O no hydrogen 3.112 N/A LYS 295.A N LYS 293.A O no hydrogen 2.766 N/A ASN 297.A N ASP 294.A O no hydrogen 3.164 N/A ARG 298.A N ASP 294.A OD1 no hydrogen 2.942 N/A PHE 300.A N ASP 294.A OD2 no hydrogen 2.806 N/A ASN 303.A N SER 301.A OG no hydrogen 2.945 N/A PHE 304.A N SER 301.A O no hydrogen 3.218 N/A VAL 306.A N LEU 283.A O no hydrogen 2.813 N/A LYS 307.A N MET 186.A O no hydrogen 2.793 N/A LYS 307.A NZ GLU 188.A OE2 no hydrogen 3.418 N/A LEU 308.A N LEU 281.A O no hydrogen 2.747 N/A TYR 309.A N LYS 184.A O no hydrogen 3.006 N/A PHE 310.A N LEU 279.A O no hydrogen 2.743 N/A THR 311.A N LEU 181.A O no hydrogen 2.821 N/A THR 311.A OG1 HIS 183.A NE2 no hydrogen 2.638 N/A LYS 312.A NZ VAL 314.A O no hydrogen 3.515 N/A