Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wrd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N VAL 307.A O no hydrogen 3.407 N/A ILE 5.A N ILE 303.A O no hydrogen 3.209 N/A VAL 7.A N ASP 46.A OD2 no hydrogen 3.215 N/A MET 8.A N ILE 276.A O no hydrogen 2.787 N/A CYS 9.A N ARG 47.A O no hydrogen 3.070 N/A ARG 10.A N ILE 278.A O no hydrogen 2.833 N/A ARG 10.A NH2 THR 53.A O no hydrogen 3.528 N/A PHE 11.A N LEU 49.A O no hydrogen 3.093 N/A ARG 12.A N CYS 280.A O no hydrogen 3.003 N/A ARG 12.A NE SER 281.A OG no hydrogen 3.087 N/A ARG 12.A NH1 GLU 18.A OE1 no hydrogen 2.891 N/A ARG 12.A NH2 GLU 18.A OE1 no hydrogen 3.422 N/A ARG 12.A NH2 GLU 18.A OE2 no hydrogen 2.565 N/A ARG 12.A NH2 SER 281.A OG no hydrogen 3.374 N/A ASN 15.A N GLU 18.A OE1 no hydrogen 2.402 N/A GLU 18.A N ASN 15.A OD1 no hydrogen 2.555 N/A ILE 19.A N ASN 15.A O no hydrogen 2.666 N/A LEU 20.A N GLU 16.A O no hydrogen 2.438 N/A ARG 21.A N ALA 17.A O no hydrogen 2.633 N/A ARG 21.A NH1 ASP 23.A OD1 no hydrogen 3.286 N/A ASP 23.A N ARG 21.A O no hydrogen 2.674 N/A LYS 24.A NZ LYS 24.A O no hydrogen 1.951 N/A ILE 26.A N PRO 282.A O no hydrogen 3.024 N/A LYS 28.A N VAL 36.A O no hydrogen 2.707 N/A LYS 28.A NZ GLY 38.A O no hydrogen 3.354 N/A LYS 30.A N THR 34.A O no hydrogen 3.186 N/A THR 34.A OG1 LYS 30.A O no hydrogen 2.189 N/A VAL 35.A N TYR 43.A O no hydrogen 2.663 N/A VAL 36.A N LYS 28.A O no hydrogen 2.672 N/A TYR 43.A N VAL 35.A O no hydrogen 2.737 N/A PHE 45.A N GLU 33.A O no hydrogen 2.594 N/A ASP 46.A N VAL 7.A O no hydrogen 3.028 N/A ARG 47.A NH1 ASP 46.A O no hydrogen 2.626 N/A VAL 48.A N GLU 32.A O no hydrogen 3.391 N/A LEU 49.A N CYS 9.A O no hydrogen 2.673 N/A THR 53.A N PRO 50.A O no hydrogen 3.357 N/A THR 53.A OG1 PRO 50.A O no hydrogen 2.619 N/A THR 54.A N GLN 57.A OE1 no hydrogen 2.902 N/A THR 54.A OG1 GLN 57.A OE1 no hydrogen 2.859 N/A GLN 55.A NE2 LEU 101.A O no hydrogen 2.462 N/A GLN 57.A N THR 54.A OG1 no hydrogen 2.818 N/A VAL 58.A N THR 54.A O no hydrogen 2.725 N/A TYR 59.A N GLN 55.A O no hydrogen 2.655 N/A ASN 60.A N GLU 56.A O no hydrogen 3.002 N/A ALA 61.A N GLN 57.A O no hydrogen 3.068 N/A CYS 62.A N VAL 58.A O no hydrogen 3.137 N/A CYS 62.A N TYR 59.A O no hydrogen 2.927 N/A CYS 62.A SG VAL 58.A O no hydrogen 2.765 N/A ALA 63.A N TYR 59.A O no hydrogen 2.799 N/A LYS 64.A N TYR 59.A O no hydrogen 3.198 N/A VAL 67.A N ALA 63.A O no hydrogen 3.240 N/A LYS 68.A N LYS 64.A O no hydrogen 3.421 N/A LYS 68.A NZ HIS 115.A NE2 no hydrogen 3.249 N/A ASP 69.A N GLN 65.A O no hydrogen 3.147 N/A VAL 70.A N ILE 66.A O no hydrogen 3.143 N/A LEU 71.A N VAL 67.A O no hydrogen 3.266 N/A GLU 72.A N ASP 69.A O no hydrogen 2.540 N/A GLY 73.A N VAL 70.A O no hydrogen 3.104 N/A GLY 76.A N LYS 223.A O no hydrogen 3.180 N/A THR 77.A N ARG 273.A O no hydrogen 3.061 N/A THR 77.A OG1 SER 267.A OG no hydrogen 2.770 N/A ILE 78.A N TYR 225.A O no hydrogen 2.975 N/A PHE 79.A N THR 275.A O no hydrogen 3.323 N/A ALA 80.A N VAL 227.A O no hydrogen 3.390 N/A TYR 81.A N VAL 277.A O no hydrogen 3.094 N/A GLN 83.A NE2 THR 84.A O no hydrogen 2.822 N/A THR 84.A N GLU 233.A OE1 no hydrogen 3.187 N/A THR 84.A OG1 GLU 233.A OE1 no hydrogen 2.665 N/A SER 86.A N GLN 83.A O no hydrogen 3.100 N/A SER 86.A OG GLN 83.A O no hydrogen 1.885 N/A THR 89.A OG1 ASP 228.A OD2 no hydrogen 2.838 N/A THR 91.A N GLY 87.A O no hydrogen 2.832 N/A THR 91.A N LYS 88.A O no hydrogen 3.150 N/A THR 91.A OG1 GLY 87.A O no hydrogen 3.306 N/A THR 91.A OG1 LYS 88.A O no hydrogen 3.152 N/A MET 92.A N LYS 88.A O no hydrogen 2.806 N/A GLU 93.A N THR 89.A O no hydrogen 3.196 N/A GLY 94.A N THR 89.A O no hydrogen 3.088 N/A LYS 95.A N LEU 101.A O no hydrogen 2.973 N/A LYS 95.A NZ HIS 90.A ND1 no hydrogen 2.784 N/A ASP 98.A N LYS 95.A O no hydrogen 3.009 N/A GLN 100.A N ASP 98.A OD1 no hydrogen 2.573 N/A LEU 101.A N ASP 98.A OD1 no hydrogen 3.032 N/A MET 102.A N ASP 98.A O no hydrogen 2.879 N/A GLY 103.A N GLU 93.A O no hydrogen 2.803 N/A ILE 105.A N MET 92.A O no hydrogen 3.003 N/A ARG 107.A N GLY 103.A O no hydrogen 3.449 N/A ARG 107.A NE MET 102.A O no hydrogen 2.555 N/A ARG 107.A NH2 GLN 100.A O no hydrogen 3.057 N/A ARG 107.A NH2 MET 102.A O no hydrogen 3.424 N/A ILE 108.A N ILE 104.A O no hydrogen 2.730 N/A ILE 108.A N ILE 105.A O no hydrogen 3.030 N/A ALA 109.A N ILE 105.A O no hydrogen 2.801 N/A HIS 110.A N PRO 106.A O no hydrogen 2.916 N/A ASP 111.A N ARG 107.A O no hydrogen 3.002 N/A ILE 112.A N ILE 108.A O no hydrogen 2.830 N/A PHE 113.A N ALA 109.A O no hydrogen 3.452 N/A ASP 114.A N HIS 110.A O no hydrogen 2.911 N/A HIS 115.A N ASP 111.A O no hydrogen 2.929 N/A HIS 115.A ND1 ASP 111.A O no hydrogen 3.211 N/A ILE 116.A N ILE 112.A O no hydrogen 3.021 N/A TYR 117.A N PHE 113.A O no hydrogen 2.894 N/A TYR 117.A OH SER 171.A O no hydrogen 3.263 N/A SER 118.A N HIS 115.A O no hydrogen 3.363 N/A SER 118.A OG ASP 114.A O no hydrogen 3.303 N/A SER 118.A OG HIS 115.A O no hydrogen 2.295 N/A MET 119.A N ILE 116.A O no hydrogen 2.505 N/A ASN 122.A N ASP 120.A OD1 no hydrogen 2.518 N/A GLU 124.A N GLU 212.A O no hydrogen 2.899 N/A HIS 126.A N LYS 210.A O no hydrogen 2.444 N/A LYS 128.A N ASN 208.A O no hydrogen 3.016 N/A VAL 129.A N ARG 168.A O no hydrogen 2.636 N/A SER 130.A N LEU 206.A O no hydrogen 2.965 N/A PHE 132.A N ILE 204.A O no hydrogen 2.968 N/A GLU 133.A N ARG 140.A O no hydrogen 3.269 N/A ILE 134.A N HIS 202.A O no hydrogen 2.728 N/A TYR 135.A N LYS 138.A O no hydrogen 3.059 N/A LYS 138.A NZ ASP 137.A O no hydrogen 3.214 N/A LEU 142.A N TYR 131.A O no hydrogen 3.053 N/A LEU 143.A N ASP 141.A OD1 no hydrogen 2.421 N/A ASP 144.A N ASP 141.A OD1 no hydrogen 2.963 N/A SER 146.A OG ASP 144.A OD1 no hydrogen 2.773 N/A LYS 147.A N ASP 144.A O no hydrogen 2.929 N/A LYS 147.A NZ GLY 164.A O no hydrogen 3.048 N/A THR 148.A OG1 ASN 149.A OD1 no hydrogen 2.288 N/A ASN 149.A N ILE 139.A O no hydrogen 3.075 N/A HIS 153.A N TYR 161.A O no hydrogen 2.711 N/A ASP 155.A N VAL 159.A O no hydrogen 2.631 N/A ARG 158.A N ASP 155.A O no hydrogen 2.878 N/A VAL 159.A N ASP 155.A OD1 no hydrogen 2.544 N/A LYS 163.A N ALA 151.A O no hydrogen 2.678 N/A THR 166.A N ASP 141.A OD2 no hydrogen 3.218 N/A THR 166.A OG1 THR 166.A O no hydrogen 2.368 N/A ARG 168.A NH2 GLU 182.A OE1 no hydrogen 2.139 N/A VAL 170.A N ILE 127.A O no hydrogen 3.229 N/A SER 171.A N GLU 175.A OE1 no hydrogen 2.254 N/A SER 172.A OG GLU 174.A OE1 no hydrogen 2.767 N/A GLU 174.A N SER 172.A OG no hydrogen 3.319 N/A VAL 176.A N SER 172.A O no hydrogen 3.504 N/A MET 177.A N PRO 173.A O no hydrogen 3.093 N/A ASP 178.A N GLU 174.A O no hydrogen 2.890 N/A VAL 179.A N GLU 175.A O no hydrogen 2.839 N/A ILE 180.A N VAL 176.A O no hydrogen 3.157 N/A ASP 181.A N MET 177.A O no hydrogen 2.920 N/A GLU 182.A N ASP 178.A O no hydrogen 2.639 N/A GLY 183.A N VAL 179.A O no hydrogen 3.253 N/A LYS 184.A N ILE 180.A O no hydrogen 3.122 N/A LYS 184.A NZ GLU 93.A OE1 no hydrogen 3.388 N/A LYS 184.A NZ GLU 93.A OE2 no hydrogen 2.577 N/A ALA 185.A N ASP 181.A O no hydrogen 3.116 N/A ALA 185.A N GLU 182.A O no hydrogen 2.702 N/A ASN 186.A N GLU 182.A O no hydrogen 2.797 N/A THR 192.A OG1 THR 192.A O no hydrogen 2.671 N/A HIS 197.A NE2 GLU 133.A OE1 no hydrogen 2.757 N/A SER 198.A N MET 194.A O no hydrogen 2.688 N/A SER 198.A OG MET 194.A O no hydrogen 2.573 N/A SER 199.A OG ASN 195.A O no hydrogen 1.896 N/A SER 199.A OG GLU 196.A O no hydrogen 2.114 N/A ARG 200.A NE SER 199.A O no hydrogen 2.162 N/A ARG 200.A NH2 SER 199.A O no hydrogen 2.614 N/A SER 201.A N SER 198.A O no hydrogen 1.986 N/A SER 201.A OG SER 198.A O no hydrogen 2.161 N/A SER 203.A N ASP 228.A O no hydrogen 3.203 N/A ILE 204.A N PHE 132.A O no hydrogen 2.633 N/A PHE 205.A N LEU 226.A O no hydrogen 3.342 N/A LEU 206.A N SER 130.A O no hydrogen 2.774 N/A ILE 207.A N LEU 224.A O no hydrogen 3.257 N/A ASN 208.A N LYS 128.A O no hydrogen 2.995 N/A ILE 209.A N GLY 222.A O no hydrogen 2.971 N/A LYS 210.A N HIS 126.A O no hydrogen 2.963 N/A GLN 211.A N LEU 220.A O no hydrogen 3.173 N/A GLU 212.A N GLU 124.A O no hydrogen 3.004 N/A ASN 213.A N LYS 218.A O no hydrogen 3.298 N/A ASN 213.A ND2 THR 216.A OG1 no hydrogen 2.537 N/A THR 216.A OG1 ASN 213.A OD1 no hydrogen 2.711 N/A GLU 217.A N VAL 214.A O no hydrogen 3.185 N/A LYS 218.A N THR 216.A OG1 no hydrogen 3.133 N/A LEU 220.A N GLN 211.A O no hydrogen 2.805 N/A SER 221.A OG ASN 310.A O no hydrogen 2.606 N/A GLY 222.A N ILE 209.A O no hydrogen 3.015 N/A LEU 224.A N ILE 207.A O no hydrogen 3.043 N/A TYR 225.A N GLY 76.A O no hydrogen 2.830 N/A LEU 226.A N PHE 205.A O no hydrogen 3.042 N/A ASP 228.A N SER 203.A O no hydrogen 2.979 N/A ALA 230.A N HIS 202.A ND1 no hydrogen 2.843 N/A GLY 231.A N SER 199.A O no hydrogen 3.191 N/A GLU 233.A N GLU 233.A OE1 no hydrogen 2.759 N/A LEU 240.A N SER 236.A O no hydrogen 2.617 N/A GLY 241.A N LEU 237.A O no hydrogen 2.381 N/A ASN 242.A N SER 238.A O no hydrogen 2.836 N/A ASN 242.A ND2 SER 238.A O no hydrogen 2.531 N/A VAL 243.A N ALA 239.A O no hydrogen 2.824 N/A ILE 244.A N LEU 240.A O no hydrogen 3.048 N/A ILE 244.A N GLY 241.A O no hydrogen 3.371 N/A SER 245.A N GLY 241.A O no hydrogen 2.947 N/A SER 245.A OG GLY 241.A O no hydrogen 2.693 N/A ALA 246.A N ASN 242.A O no hydrogen 2.603 N/A ALA 248.A N ILE 244.A O no hydrogen 3.156 N/A THR 251.A OG1 GLU 249.A OE1 no hydrogen 3.158 N/A ASP 257.A N PRO 254.A O no hydrogen 2.578 N/A SER 258.A N TYR 255.A O no hydrogen 3.303 N/A THR 261.A OG1 SER 258.A OG no hydrogen 2.341 N/A ARG 262.A N SER 258.A O no hydrogen 2.809 N/A ILE 263.A N MET 260.A O no hydrogen 2.491 N/A LEU 264.A N MET 260.A O no hydrogen 2.832 N/A SER 267.A OG THR 77.A OG1 no hydrogen 2.770 N/A LEU 268.A N LEU 264.A O no hydrogen 3.066 N/A LEU 268.A N GLN 265.A O no hydrogen 3.256 N/A GLY 269.A N GLN 265.A O no hydrogen 2.750 N/A CYS 272.A SG THR 77.A OG1 no hydrogen 3.734 N/A CYS 272.A SG ARG 273.A O no hydrogen 3.466 N/A CYS 272.A SG THR 274.A OG1 no hydrogen 3.383 N/A ARG 273.A N ASN 75.A O no hydrogen 3.162 N/A THR 274.A OG1 SER 267.A O no hydrogen 2.643 N/A THR 274.A OG1 CYS 272.A O no hydrogen 3.413 N/A THR 275.A N THR 77.A O no hydrogen 2.958 N/A ILE 276.A N LYS 6.A O no hydrogen 3.262 N/A VAL 277.A N PHE 79.A O no hydrogen 2.998 N/A ILE 278.A N MET 8.A O no hydrogen 2.958 N/A CYS 279.A N TYR 81.A O no hydrogen 2.951 N/A CYS 279.A SG THR 91.A OG1 no hydrogen 3.745 N/A CYS 279.A SG VAL 277.A O no hydrogen 3.810 N/A CYS 280.A N ARG 10.A O no hydrogen 2.867 N/A SER 283.A OG ASP 23.A OD1 no hydrogen 2.998 N/A PHE 285.A N SER 283.A OG no hydrogen 3.104 N/A ASN 286.A N SER 283.A O no hydrogen 3.119 N/A ASN 286.A ND2 SER 283.A O no hydrogen 3.427 N/A GLU 287.A N VAL 284.A O no hydrogen 2.818 N/A THR 290.A N ASN 286.A O no hydrogen 3.134 N/A THR 290.A OG1 ASN 286.A O no hydrogen 2.681 N/A LYS 291.A N GLU 287.A O no hydrogen 3.290 N/A LYS 291.A N ALA 288.A O no hydrogen 2.308 N/A LYS 291.A NZ TYR 43.A OH no hydrogen 2.133 N/A THR 293.A N GLU 289.A O no hydrogen 2.686 N/A THR 293.A OG1 GLU 289.A O no hydrogen 2.401 N/A LEU 294.A N THR 290.A O no hydrogen 3.126 N/A MET 295.A N LYS 291.A O no hydrogen 2.778 N/A PHE 296.A N SER 292.A O no hydrogen 2.604 N/A GLY 297.A N THR 293.A O no hydrogen 2.811 N/A GLN 298.A N LEU 294.A O no hydrogen 2.711 N/A ARG 299.A N MET 295.A O no hydrogen 3.036 N/A ARG 299.A NE MET 295.A O no hydrogen 3.024 N/A ALA 300.A N PHE 296.A O no hydrogen 3.300 N/A LYS 301.A N GLY 297.A O no hydrogen 3.023 N/A THR 302.A N ARG 299.A O no hydrogen 3.304 N/A THR 302.A OG1 ARG 299.A O no hydrogen 2.501 N/A LYS 304.A NZ GLU 2.A O no hydrogen 3.214 N/A ASN 305.A N CYS 3.A O no hydrogen 2.996 N/A ASN 305.A ND2 LEU 268.A O no hydrogen 2.704 N/A ASN 305.A ND2 LYS 304.A O no hydrogen 3.636 N/A