Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3buo_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 8.A N ASP 5.A OD2 no hydrogen 3.429 N/A LYS 11.A N LYS 7.A O no hydrogen 3.256 N/A CYS 12.A N MET 8.A O no hydrogen 3.262 N/A CYS 12.A SG MET 72.A O no hydrogen 3.783 N/A TRP 13.A N VAL 9.A O no hydrogen 2.870 N/A LYS 14.A N GLU 10.A O no hydrogen 3.022 N/A LEU 15.A N LYS 11.A O no hydrogen 2.914 N/A MET 16.A N CYS 12.A O no hydrogen 2.861 N/A ASP 17.A N TRP 13.A O no hydrogen 2.650 N/A LYS 18.A N LYS 14.A O no hydrogen 3.281 N/A VAL 19.A N LEU 15.A O no hydrogen 3.096 N/A VAL 20.A N MET 16.A O no hydrogen 3.186 N/A ARG 21.A N ASP 17.A O no hydrogen 3.496 N/A LEU 22.A N LYS 18.A O no hydrogen 3.066 N/A CYS 23.A N VAL 19.A O no hydrogen 3.325 N/A CYS 23.A SG VAL 19.A O no hydrogen 3.134 N/A GLN 24.A N ARG 21.A O no hydrogen 2.569 N/A ASN 25.A N LEU 22.A O no hydrogen 3.388 N/A LYS 27.A N ASN 25.A OD1 no hydrogen 3.227 N/A LEU 28.A N ASN 25.A O no hydrogen 2.924 N/A ALA 29.A N PRO 26.A O no hydrogen 2.549 N/A LYS 31.A NZ ALA 29.A O no hydrogen 3.377 N/A SER 33.A OG ASP 228.A OD1 no hydrogen 3.296 N/A SER 33.A OG ASP 228.A OD2 no hydrogen 2.548 N/A ASP 39.A N TYR 36.A O no hydrogen 2.620 N/A LEU 41.A N ILE 37.A O no hydrogen 3.339 N/A ASP 43.A N ASP 39.A O no hydrogen 2.852 N/A THR 44.A N LEU 40.A O no hydrogen 2.784 N/A THR 44.A OG1 LEU 40.A O no hydrogen 2.505 N/A TYR 45.A N LEU 41.A O no hydrogen 2.704 N/A GLN 46.A N PRO 42.A O no hydrogen 2.768 N/A HIS 47.A N ASP 43.A O no hydrogen 2.810 N/A LEU 48.A N THR 44.A O no hydrogen 2.872 N/A ARG 49.A N TYR 45.A O no hydrogen 2.998 N/A THR 50.A N GLN 46.A O no hydrogen 3.008 N/A ILE 51.A N HIS 47.A O no hydrogen 2.794 N/A LEU 52.A N LEU 48.A O no hydrogen 2.900 N/A SER 53.A N ARG 49.A O no hydrogen 2.710 N/A ARG 54.A N THR 50.A O no hydrogen 3.156 N/A ARG 54.A N ILE 51.A O no hydrogen 2.807 N/A TYR 55.A N ILE 51.A O no hydrogen 3.041 N/A MET 59.A N GLY 57.A O no hydrogen 2.446 N/A THR 61.A N LYS 58.A O no hydrogen 2.814 N/A THR 61.A OG1 LYS 58.A O no hydrogen 3.010 N/A LEU 62.A N MET 59.A O no hydrogen 3.198 N/A GLY 63.A N MET 59.A O no hydrogen 2.840 N/A GLU 64.A N GLU 60.A O no hydrogen 3.019 N/A ASN 65.A N LEU 62.A O no hydrogen 2.654 N/A TYR 67.A OH GLU 117.A OE1 no hydrogen 2.410 N/A PHE 68.A N ASN 65.A OD1 no hydrogen 2.655 N/A ARG 69.A N ASN 65.A O no hydrogen 2.895 N/A ARG 69.A NE PRO 1.A O no hydrogen 3.046 N/A ARG 69.A NH1 GLU 64.A O no hydrogen 2.817 N/A ARG 69.A NH2 PRO 1.A O no hydrogen 3.387 N/A VAL 70.A N GLU 66.A O no hydrogen 3.099 N/A PHE 71.A N TYR 67.A O no hydrogen 2.996 N/A MET 72.A N PHE 68.A O no hydrogen 3.447 N/A GLU 73.A N ARG 69.A O no hydrogen 3.258 N/A ASN 74.A N VAL 70.A O no hydrogen 2.650 N/A ASN 74.A ND2 THR 184.A O no hydrogen 3.082 N/A LEU 75.A N PHE 71.A O no hydrogen 2.517 N/A MET 76.A N MET 72.A O no hydrogen 2.675 N/A LYS 77.A N GLU 73.A O no hydrogen 2.967 N/A LYS 77.A NZ GLN 81.A OE1 no hydrogen 3.394 N/A LYS 78.A N ASN 74.A O no hydrogen 2.681 N/A LYS 78.A NZ ASN 74.A OD1 no hydrogen 2.902 N/A LYS 78.A NZ CYS 185.A O no hydrogen 2.437 N/A THR 79.A N LEU 75.A O no hydrogen 2.738 N/A THR 79.A OG1 LEU 75.A O no hydrogen 3.431 N/A THR 79.A OG1 MET 76.A O no hydrogen 2.718 N/A LYS 80.A N MET 76.A O no hydrogen 3.162 N/A GLN 81.A N LYS 77.A O no hydrogen 3.024 N/A THR 82.A N LYS 78.A O no hydrogen 3.411 N/A THR 82.A OG1 LYS 78.A O no hydrogen 3.135 N/A ILE 83.A N THR 79.A O no hydrogen 3.109 N/A SER 84.A N LYS 80.A O no hydrogen 2.927 N/A LEU 85.A N GLN 81.A O no hydrogen 2.983 N/A PHE 86.A N THR 82.A O no hydrogen 3.321 N/A LYS 87.A N ILE 83.A O no hydrogen 3.363 N/A GLU 88.A N SER 84.A O no hydrogen 2.699 N/A GLY 89.A N PHE 86.A O no hydrogen 3.117 N/A LYS 90.A NZ LYS 87.A O no hydrogen 3.501 N/A ARG 92.A N GLY 89.A O no hydrogen 2.701 N/A MET 93.A N LYS 90.A O no hydrogen 3.025 N/A GLU 95.A N ARG 92.A O no hydrogen 3.200 N/A ASN 97.A N GLU 96.A OE1 no hydrogen 3.303 N/A SER 98.A N GLU 95.A O no hydrogen 3.029 N/A SER 98.A OG ARG 92.A O no hydrogen 2.581 N/A SER 98.A OG GLU 95.A O no hydrogen 2.529 N/A ARG 101.A N SER 98.A OG no hydrogen 3.282 N/A ARG 101.A NH1 MET 93.A O no hydrogen 3.082 N/A ARG 101.A NH2 LEU 28.A O no hydrogen 2.630 N/A ARG 102.A N SER 98.A O no hydrogen 2.966 N/A ARG 102.A NH1 GLN 99.A OE1 no hydrogen 3.533 N/A ASN 103.A N GLN 99.A O no hydrogen 3.016 N/A LEU 104.A N PRO 100.A O no hydrogen 3.341 N/A THR 105.A N ARG 101.A O no hydrogen 3.196 N/A THR 105.A OG1 GLU 229.A OE2 no hydrogen 3.522 N/A LYS 106.A N ARG 102.A O no hydrogen 2.955 N/A LEU 107.A N ASN 103.A O no hydrogen 2.975 N/A SER 108.A N LEU 104.A O no hydrogen 2.979 N/A SER 108.A OG LEU 104.A O no hydrogen 3.250 N/A LEU 109.A N THR 105.A O no hydrogen 3.151 N/A ILE 110.A N LYS 106.A O no hydrogen 3.177 N/A PHE 111.A N LEU 107.A O no hydrogen 2.716 N/A SER 112.A N SER 108.A O no hydrogen 2.855 N/A HIS 113.A N LEU 109.A O no hydrogen 2.617 N/A MET 114.A N ILE 110.A O no hydrogen 2.449 N/A LEU 115.A N PHE 111.A O no hydrogen 2.845 N/A ALA 116.A N SER 112.A O no hydrogen 2.965 N/A GLU 117.A N HIS 113.A O no hydrogen 2.739 N/A LEU 118.A N MET 114.A O no hydrogen 2.779 N/A LYS 119.A N LEU 115.A O no hydrogen 2.811 N/A GLY 120.A N GLU 117.A O no hydrogen 2.741 N/A ILE 121.A N GLU 117.A O no hydrogen 2.826 N/A GLY 125.A N PHE 122.A O no hydrogen 2.841 N/A LEU 126.A N PRO 123.A O no hydrogen 3.162 N/A PHE 127.A N TYR 55.A OH no hydrogen 2.589 N/A GLN 128.A N ILE 121.A O no hydrogen 3.333 N/A THR 131.A N GLN 128.A O no hydrogen 3.220 N/A THR 131.A OG1 GLN 128.A O no hydrogen 3.365 N/A PHE 132.A N GLY 129.A O no hydrogen 2.989 N/A THR 135.A N ASP 195.A OD1 no hydrogen 2.906 N/A THR 135.A OG1 ASP 195.A OD1 no hydrogen 3.284 N/A THR 135.A OG1 ASP 195.A OD2 no hydrogen 3.327 N/A ALA 140.A N LYS 136.A O no hydrogen 3.032 N/A GLU 141.A N ALA 137.A O no hydrogen 3.111 N/A GLU 141.A N ASP 138.A O no hydrogen 2.896 N/A PHE 142.A N ASP 138.A O no hydrogen 3.250 N/A TRP 143.A N ALA 139.A O no hydrogen 3.019 N/A TRP 143.A NE1 LYS 150.A O no hydrogen 3.165 N/A ARG 144.A N ALA 140.A O no hydrogen 3.096 N/A LYS 145.A N GLU 141.A O no hydrogen 2.700 N/A ALA 146.A N PHE 142.A O no hydrogen 2.660 N/A PHE 147.A N TRP 143.A O no hydrogen 2.780 N/A LYS 150.A N PHE 147.A O no hydrogen 3.218 N/A LYS 150.A NZ GLU 66.A OE1 no hydrogen 2.692 N/A VAL 153.A N ILE 189.A O no hydrogen 2.958 N/A TRP 155.A N ASP 187.A O no hydrogen 3.171 N/A SER 157.A OG PRO 154.A O no hydrogen 3.307 N/A PHE 158.A N PRO 154.A O no hydrogen 3.244 N/A ARG 159.A N TRP 155.A O no hydrogen 2.902 N/A GLN 160.A N LYS 156.A O no hydrogen 3.130 N/A ALA 161.A N SER 157.A O no hydrogen 2.889 N/A LEU 162.A N PHE 158.A O no hydrogen 2.884 N/A HIS 163.A N ARG 159.A O no hydrogen 2.856 N/A GLU 164.A N ALA 161.A O no hydrogen 3.342 N/A VAL 165.A N LEU 162.A O no hydrogen 3.005 N/A HIS 166.A N LEU 162.A O no hydrogen 2.813 N/A SER 169.A N GLU 173.A OE2 no hydrogen 3.007 N/A SER 169.A OG GLU 173.A OE1 no hydrogen 2.648 N/A SER 169.A OG GLU 173.A OE2 no hydrogen 2.741 N/A GLU 173.A N SER 170.A OG no hydrogen 2.667 N/A ALA 174.A N SER 170.A O no hydrogen 3.284 N/A MET 175.A N GLY 171.A O no hydrogen 3.351 N/A ALA 176.A N LEU 172.A O no hydrogen 2.889 N/A LEU 177.A N GLU 173.A O no hydrogen 2.756 N/A LYS 178.A N ALA 174.A O no hydrogen 2.760 N/A LYS 178.A NZ ASP 187.A OD1 no hydrogen 2.546 N/A SER 179.A N MET 175.A O no hydrogen 3.205 N/A SER 179.A OG MET 175.A O no hydrogen 3.364 N/A SER 179.A OG ALA 176.A O no hydrogen 2.519 N/A THR 180.A N ALA 176.A O no hydrogen 3.057 N/A THR 180.A OG1 ALA 176.A O no hydrogen 3.170 N/A ILE 181.A N LEU 177.A O no hydrogen 3.020 N/A ASP 182.A N LYS 178.A O no hydrogen 2.838 N/A LEU 183.A N ILE 181.A O no hydrogen 2.597 N/A THR 184.A N GLU 193.A OE2 no hydrogen 3.201 N/A THR 184.A OG1 ASN 186.A OD1 no hydrogen 3.067 N/A THR 184.A OG1 GLU 193.A OE2 no hydrogen 3.004 N/A CYS 185.A N ASP 182.A O no hydrogen 2.888 N/A CYS 185.A SG ASP 182.A O no hydrogen 3.704 N/A ASN 186.A N ASP 182.A OD1 no hydrogen 2.699 N/A TYR 188.A N ASP 182.A OD2 no hydrogen 2.941 N/A ILE 189.A N VAL 153.A O no hydrogen 2.968 N/A SER 190.A N GLU 193.A OE1 no hydrogen 2.660 N/A SER 190.A OG GLU 117.A OE2 no hydrogen 2.787 N/A VAL 191.A N THR 151.A O no hydrogen 2.914 N/A GLU 193.A N SER 190.A OG no hydrogen 3.191 N/A PHE 194.A N SER 190.A O no hydrogen 2.647 N/A ASP 195.A N VAL 191.A O no hydrogen 2.870 N/A ILE 196.A N PHE 192.A O no hydrogen 3.110 N/A PHE 197.A N GLU 193.A O no hydrogen 3.084 N/A THR 198.A N PHE 194.A O no hydrogen 3.073 N/A THR 198.A OG1 PHE 194.A O no hydrogen 2.617 N/A THR 198.A OG1 ASP 195.A O no hydrogen 2.658 N/A ARG 199.A N ASP 195.A O no hydrogen 2.929 N/A ARG 199.A NH2 ASP 195.A OD2 no hydrogen 3.247 N/A LEU 200.A N ILE 196.A O no hydrogen 3.095 N/A PHE 201.A N PHE 197.A O no hydrogen 2.906 N/A GLN 202.A NE2 ARG 199.A O no hydrogen 2.723 N/A SER 206.A OG ASN 210.A OD1 no hydrogen 2.901 N/A LEU 207.A N TRP 204.A O no hydrogen 2.971 N/A ASN 210.A N SER 206.A O no hydrogen 3.034 N/A ASN 210.A N LEU 207.A O no hydrogen 3.116 N/A ASN 210.A ND2 PHE 201.A O no hydrogen 3.125 N/A ASN 210.A ND2 SER 206.A OG no hydrogen 2.877 N/A TRP 211.A N LEU 207.A O no hydrogen 3.148 N/A TRP 211.A NE1 THR 180.A OG1 no hydrogen 3.231 N/A ASN 212.A N LEU 208.A O no hydrogen 2.710 N/A SER 213.A N ARG 209.A O no hydrogen 3.213 N/A SER 213.A OG ARG 209.A O no hydrogen 3.041 N/A LEU 214.A N ASN 210.A O no hydrogen 2.716 N/A LEU 214.A N TRP 211.A O no hydrogen 3.136 N/A VAL 216.A N TRP 211.A O no hydrogen 3.318 N/A THR 217.A N ASN 212.A O no hydrogen 2.907 N/A THR 217.A OG1 ASN 212.A O no hydrogen 3.024 N/A GLY 220.A N HIS 218.A ND1 no hydrogen 2.868 N/A TYR 221.A N HIS 218.A O no hydrogen 2.908 N/A MET 222.A N PHE 246.A O no hydrogen 2.765 N/A THR 226.A N GLU 229.A OE1 no hydrogen 3.001 N/A GLU 229.A N THR 226.A OG1 no hydrogen 3.278 N/A VAL 230.A N THR 226.A O no hydrogen 2.870 N/A LYS 231.A N TYR 227.A O no hydrogen 3.153 N/A ALA 232.A N ASP 228.A O no hydrogen 2.735 N/A ARG 233.A N GLU 229.A O no hydrogen 2.850 N/A ARG 233.A NE ASP 294.A OD1 no hydrogen 2.704 N/A ARG 233.A NH2 ASP 294.A OD1 no hydrogen 2.779 N/A ARG 233.A NH2 ASP 294.A OD2 no hydrogen 2.461 N/A LEU 234.A N VAL 230.A O no hydrogen 2.849 N/A GLN 235.A N LYS 231.A O no hydrogen 3.105 N/A GLN 235.A NE2 GLN 235.A O no hydrogen 3.250 N/A LYS 236.A N ARG 233.A O no hydrogen 3.310 N/A PHE 237.A N LEU 234.A O no hydrogen 2.956 N/A LYS 240.A N PHE 237.A O no hydrogen 2.495 N/A GLY 242.A N VAL 261.A O no hydrogen 3.054 N/A SER 243.A N LYS 240.A O no hydrogen 3.157 N/A SER 243.A OG LYS 240.A O no hydrogen 2.953 N/A TYR 244.A N PHE 292.A O no hydrogen 3.069 N/A ILE 245.A N GLY 259.A O no hydrogen 2.871 N/A PHE 246.A N GLY 220.A O no hydrogen 2.932 N/A SER 249.A N GLN 255.A O no hydrogen 2.893 N/A CYS 250.A SG SER 112.A OG no hydrogen 3.359 N/A ARG 252.A N SER 249.A OG no hydrogen 3.067 N/A TRP 256.A NE1 LEU 200.A O no hydrogen 3.161 N/A ALA 257.A N ARG 247.A O no hydrogen 3.035 N/A GLY 259.A N ILE 245.A O no hydrogen 2.759 N/A TYR 260.A N LEU 268.A O no hydrogen 2.801 N/A VAL 261.A N SER 243.A O no hydrogen 3.076 N/A THR 262.A N ASN 266.A O no hydrogen 2.698 N/A THR 262.A OG1 ASP 264.A OD1 no hydrogen 3.211 N/A THR 262.A OG1 ASN 266.A O no hydrogen 2.914 N/A ASN 266.A N THR 262.A OG1 no hydrogen 2.768 N/A LEU 268.A N TYR 260.A O no hydrogen 2.848 N/A LYS 275.A NZ ASP 283.A OD2 no hydrogen 3.459 N/A GLN 279.A NE2 ASP 283.A OD1 no hydrogen 3.184 N/A GLN 279.A NE2 ASP 283.A OD2 no hydrogen 3.085 N/A ALA 280.A N PRO 276.A O no hydrogen 3.037 N/A LEU 281.A N LEU 277.A O no hydrogen 3.021 N/A ILE 282.A N PHE 278.A O no hydrogen 3.309 N/A ASP 283.A N GLN 279.A O no hydrogen 2.971 N/A GLY 284.A N ALA 280.A O no hydrogen 2.770 N/A PHE 285.A N LEU 281.A O no hydrogen 3.051 N/A ARG 286.A N ILE 282.A O no hydrogen 3.199 N/A GLU 287.A N ASP 283.A O no hydrogen 2.777 N/A GLY 288.A N PHE 285.A O no hydrogen 3.172 N/A PHE 289.A N GLY 284.A O no hydrogen 2.789 N/A TYR 290.A N GLY 284.A O no hydrogen 3.174 N/A LEU 291.A N GLY 242.A O no hydrogen 3.277 N/A PHE 292.A N GLY 242.A O no hydrogen 3.216 N/A ASP 294.A N TYR 244.A O no hydrogen 2.743 N/A GLY 295.A N PHE 292.A O no hydrogen 3.203 N/A ASN 299.A ND2 TYR 244.A OH no hydrogen 2.522 N/A GLY 304.A N ASP 301.A O no hydrogen 3.178 N/A