Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wil_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N TYR 260.A O no hydrogen 2.847 N/A SER 6.A OG HIS 308.A NE2 no hydrogen 3.194 N/A ALA 8.A N TYR 181.A OH no hydrogen 3.001 N/A ARG 9.A NH1 ARG 311.A O no hydrogen 2.791 N/A ARG 9.A NH1 GLU 316.A OE1 no hydrogen 3.544 N/A ARG 9.A NH1 GLU 316.A OE2 no hydrogen 3.118 N/A ARG 9.A NH2 GLU 316.A OE2 no hydrogen 3.323 N/A TYR 11.A OH ASP 144.A OD1 no hydrogen 2.501 N/A THR 12.A OG1 ALA 8.A O no hydrogen 2.564 N/A THR 16.A OG1 ASP 13.A OD1 no hydrogen 2.728 N/A HIS 17.A N ASP 13.A O no hydrogen 3.324 N/A HIS 17.A ND1 HIS 17.A O no hydrogen 2.761 N/A ARG 18.A N ASN 15.A O no hydrogen 3.075 N/A TYR 22.A N PRO 19.A O no hydrogen 2.686 N/A TYR 22.A OH MET 149.A O no hydrogen 2.674 N/A TRP 23.A N ARG 20.A O no hydrogen 3.108 N/A ASP 24.A N ARG 20.A O no hydrogen 2.856 N/A GLU 26.A N ASP 24.A OD1 no hydrogen 3.107 N/A SER 27.A N ASP 24.A OD1 no hydrogen 2.992 N/A SER 27.A OG ASP 24.A O no hydrogen 3.223 N/A GLY 33.A N ILE 99.A O no hydrogen 2.417 N/A ASN 34.A ND2 ASP 37.A OD2 no hydrogen 3.440 N/A ASP 37.A N ASN 34.A O no hydrogen 3.086 N/A TYR 38.A N GLN 35.A O no hydrogen 3.437 N/A TYR 38.A OH ASP 98.A OD2 no hydrogen 2.462 N/A GLN 39.A N ILE 56.A O no hydrogen 2.962 N/A GLN 39.A NE2 LEU 40.A O no hydrogen 2.619 N/A VAL 41.A N GLU 54.A O no hydrogen 2.806 N/A ARG 42.A N GLU 54.A O no hydrogen 3.435 N/A ARG 42.A NH1 GLU 54.A OE1 no hydrogen 3.414 N/A LYS 43.A NZ GLU 51.A OE1 no hydrogen 3.078 N/A LYS 43.A NZ GLU 51.A OE2 no hydrogen 2.645 N/A LEU 44.A N VAL 52.A O no hydrogen 2.863 N/A GLY 47.A N SER 50.A O no hydrogen 3.132 N/A GLU 51.A N ILE 68.A O no hydrogen 3.051 N/A VAL 52.A N GLY 45.A O no hydrogen 2.923 N/A PHE 53.A N VAL 66.A O no hydrogen 3.000 N/A GLU 54.A N ARG 42.A O no hydrogen 2.769 N/A ALA 55.A N VAL 64.A O no hydrogen 2.839 N/A ILE 56.A N GLN 39.A O no hydrogen 2.735 N/A ASN 57.A N GLU 62.A O no hydrogen 2.895 N/A ILE 58.A N ASP 37.A O no hydrogen 2.760 N/A THR 59.A N ASN 57.A OD1 no hydrogen 3.303 N/A THR 59.A OG1 ASN 57.A OD1 no hydrogen 3.111 N/A ASN 60.A N ASN 57.A O no hydrogen 2.966 N/A ASN 61.A N ASN 57.A O no hydrogen 2.509 N/A GLU 62.A N ASN 60.A OD1 no hydrogen 2.887 N/A LYS 63.A N GLU 62.A OE1 no hydrogen 2.945 N/A VAL 64.A N ALA 55.A O no hydrogen 2.892 N/A VAL 65.A N PHE 112.A O no hydrogen 3.095 N/A VAL 66.A N PHE 53.A O no hydrogen 2.915 N/A LYS 67.A N LEU 110.A O no hydrogen 2.695 N/A LYS 67.A NZ GLU 80.A OE1 no hydrogen 3.543 N/A LYS 67.A NZ GLU 80.A OE2 no hydrogen 2.736 N/A ILE 68.A N GLU 51.A O no hydrogen 3.058 N/A LEU 69.A N PRO 108.A O no hydrogen 3.061 N/A LYS 70.A NZ LYS 48.A O no hydrogen 2.761 N/A LYS 75.A NZ GLU 26.A OE1 no hydrogen 3.414 N/A ILE 77.A N LYS 73.A O no hydrogen 2.896 N/A LYS 78.A N LYS 74.A O no hydrogen 3.093 N/A LYS 78.A NZ HIS 28.A O no hydrogen 3.052 N/A ARG 79.A N LYS 75.A O no hydrogen 3.243 N/A ARG 79.A NH1 GLY 176.A O no hydrogen 3.278 N/A ARG 79.A NH2 GLU 179.A OE1 no hydrogen 3.126 N/A LYS 82.A N LYS 78.A O no hydrogen 2.865 N/A LYS 82.A NZ HIS 28.A ND1 no hydrogen 3.255 N/A ILE 83.A N ARG 79.A O no hydrogen 2.790 N/A LEU 84.A N GLU 80.A O no hydrogen 2.555 N/A GLU 85.A N ILE 81.A O no hydrogen 3.028 N/A ASN 86.A N LYS 82.A O no hydrogen 2.658 N/A ASN 86.A ND2 TYR 22.A O no hydrogen 3.186 N/A LEU 87.A N ILE 83.A O no hydrogen 2.993 N/A ARG 88.A N GLU 85.A O no hydrogen 3.436 N/A ARG 88.A NH2 LEU 96.A O no hydrogen 3.067 N/A GLY 90.A N LEU 87.A O no hydrogen 3.192 N/A ASN 92.A ND2 LEU 170.A O no hydrogen 2.966 N/A ILE 94.A N LEU 172.A O no hydrogen 3.438 N/A THR 95.A N GLU 113.A OE1 no hydrogen 2.734 N/A ALA 97.A N VAL 111.A O no hydrogen 2.561 N/A ASP 98.A N VAL 111.A O no hydrogen 2.930 N/A ILE 99.A N ASP 98.A OD1 no hydrogen 2.579 N/A VAL 100.A N ALA 109.A O no hydrogen 2.897 N/A ASP 102.A N THR 107.A O no hydrogen 2.996 N/A VAL 104.A N ASP 102.A OD2 no hydrogen 3.074 N/A SER 105.A N PRO 103.A O no hydrogen 2.340 N/A SER 105.A OG ASP 102.A O no hydrogen 2.388 N/A SER 105.A OG THR 107.A O no hydrogen 2.648 N/A THR 107.A OG1 LEU 69.A O no hydrogen 3.303 N/A ALA 109.A N VAL 100.A O no hydrogen 2.905 N/A LEU 110.A N LYS 67.A O no hydrogen 2.890 N/A VAL 111.A N ASP 98.A O no hydrogen 2.892 N/A PHE 112.A N VAL 65.A O no hydrogen 2.766 N/A GLU 113.A N THR 95.A O no hydrogen 3.134 N/A THR 118.A N ILE 163.A O no hydrogen 2.759 N/A THR 118.A OG1 ILE 163.A O no hydrogen 2.912 N/A LYS 121.A NZ PHE 120.A O no hydrogen 2.824 N/A GLN 122.A N ASP 119.A O no hydrogen 2.994 N/A LEU 123.A N ASP 119.A O no hydrogen 3.080 N/A TYR 124.A OH GLU 229.A OE1 no hydrogen 2.910 N/A THR 126.A N LEU 123.A O no hydrogen 3.150 N/A LEU 127.A N LEU 123.A O no hydrogen 3.193 N/A THR 128.A N ASP 131.A OD2 no hydrogen 3.159 N/A ASP 131.A N THR 128.A OG1 no hydrogen 3.050 N/A ILE 132.A N THR 128.A O no hydrogen 2.951 N/A ARG 133.A NE ASP 129.A OD1 no hydrogen 3.260 N/A ARG 133.A NH1 ASP 129.A OD1 no hydrogen 3.367 N/A ARG 133.A NH2 TYR 322.A O no hydrogen 2.726 N/A PHE 134.A N TYR 130.A O no hydrogen 2.915 N/A TYR 135.A N ASP 131.A O no hydrogen 2.879 N/A TYR 135.A OH HIS 165.A ND1 no hydrogen 3.211 N/A MET 136.A N ILE 132.A O no hydrogen 2.610 N/A TYR 137.A N ARG 133.A O no hydrogen 2.909 N/A GLU 138.A N PHE 134.A O no hydrogen 3.054 N/A ILE 139.A N TYR 135.A O no hydrogen 3.063 N/A LEU 140.A N MET 136.A O no hydrogen 3.071 N/A LYS 141.A N TYR 137.A O no hydrogen 3.022 N/A LYS 141.A NZ GLU 138.A OE1 no hydrogen 3.011 N/A LYS 141.A NZ GLU 138.A OE2 no hydrogen 3.090 N/A ALA 142.A N GLU 138.A O no hydrogen 3.311 N/A LEU 143.A N ILE 139.A O no hydrogen 2.958 N/A ASP 144.A N LEU 140.A O no hydrogen 2.628 N/A TYR 145.A N LYS 141.A O no hydrogen 2.756 N/A CYS 146.A N ALA 142.A O no hydrogen 3.026 N/A CYS 146.A SG ALA 142.A O no hydrogen 3.588 N/A CYS 146.A SG LEU 143.A O no hydrogen 3.830 N/A CYS 146.A SG ILE 151.A O no hydrogen 3.412 N/A HIS 147.A N LEU 143.A O no hydrogen 3.200 N/A HIS 147.A NE2 ASP 213.A OD2 no hydrogen 3.082 N/A SER 148.A N ASP 144.A O no hydrogen 2.858 N/A SER 148.A OG ASP 144.A O no hydrogen 3.196 N/A SER 148.A OG TYR 145.A O no hydrogen 2.363 N/A MET 149.A N TYR 145.A O no hydrogen 2.912 N/A GLY 150.A N HIS 147.A O no hydrogen 2.940 N/A ILE 151.A N CYS 146.A O no hydrogen 2.853 N/A MET 152.A N GLU 179.A O no hydrogen 3.017 N/A HIS 153.A N ASP 213.A OD2 no hydrogen 2.910 N/A HIS 153.A NE2 ILE 173.A O no hydrogen 2.811 N/A ARG 154.A N ASP 213.A OD1 no hydrogen 2.918 N/A ARG 154.A NE LEU 177.A O no hydrogen 2.499 N/A ARG 154.A NH1 LEU 177.A O no hydrogen 2.837 N/A ARG 154.A NH2 TYR 208.A OH no hydrogen 3.037 N/A ASP 155.A N HIS 153.A ND1 no hydrogen 3.065 N/A ASN 160.A N LYS 157.A O no hydrogen 2.868 N/A ASN 160.A ND2 ASP 155.A O no hydrogen 2.551 N/A VAL 161.A N PRO 158.A O no hydrogen 3.399 N/A ILE 163.A N ASN 117.A OD1 no hydrogen 2.728 N/A ASP 164.A N LYS 169.A O no hydrogen 2.530 N/A HIS 165.A N THR 118.A OG1 no hydrogen 2.533 N/A HIS 165.A ND1 TYR 135.A OH no hydrogen 3.211 N/A HIS 167.A N ASP 164.A O no hydrogen 2.677 N/A ARG 168.A N HIS 165.A O no hydrogen 3.346 N/A LYS 169.A N ASP 164.A O no hydrogen 3.386 N/A LYS 169.A NZ HIS 114.A O no hydrogen 3.078 N/A ARG 171.A N MET 162.A O no hydrogen 3.028 N/A ARG 171.A NE GLU 113.A OE2 no hydrogen 3.303 N/A ARG 171.A NH2 LEU 170.A O no hydrogen 2.679 N/A LEU 172.A N ASN 92.A O no hydrogen 2.667 N/A ILE 173.A N ASN 160.A O no hydrogen 2.546 N/A TRP 175.A NE1 LEU 172.A O no hydrogen 3.015 N/A ALA 178.A N TRP 175.A O no hydrogen 3.125 N/A GLU 179.A N MET 152.A O no hydrogen 3.053 N/A PHE 180.A N GLU 179.A OE2 no hydrogen 3.004 N/A TYR 181.A N GLY 150.A O no hydrogen 3.027 N/A HIS 182.A N TYR 187.A OH no hydrogen 2.870 N/A GLN 185.A N HIS 182.A O no hydrogen 3.236 N/A TYR 187.A N GLN 206.A O no hydrogen 3.095 N/A TYR 187.A OH PHE 180.A O no hydrogen 2.705 N/A ARG 190.A N ASN 188.A OD1 no hydrogen 3.076 N/A VAL 191.A N VAL 189.A O no hydrogen 2.752 N/A ARG 194.A NE GLY 234.A O no hydrogen 3.174 N/A ARG 194.A NH1 TYR 195.A OH no hydrogen 2.944 N/A PHE 196.A N SER 193.A O no hydrogen 2.772 N/A LYS 197.A N ARG 194.A O no hydrogen 3.044 N/A LYS 197.A NZ VAL 191.A O no hydrogen 2.910 N/A LYS 197.A NZ ALA 192.A O no hydrogen 2.438 N/A GLU 200.A N GLU 200.A OE1 no hydrogen 2.344 N/A LEU 201.A N GLY 198.A O no hydrogen 3.133 N/A LEU 202.A N GLY 198.A O no hydrogen 3.333 N/A VAL 203.A N PRO 199.A O no hydrogen 2.808 N/A ASP 204.A N LEU 201.A O no hydrogen 2.983 N/A TYR 205.A N GLU 200.A O no hydrogen 2.547 N/A TYR 205.A OH VAL 4.A O no hydrogen 3.044 N/A GLN 206.A NE2 TYR 187.A O no hydrogen 3.545 N/A TYR 208.A OH ASN 188.A O no hydrogen 2.643 N/A TYR 210.A OH TYR 11.A O no hydrogen 2.830 N/A SER 211.A N ASP 209.A OD1 no hydrogen 2.801 N/A SER 211.A OG ASP 209.A OD1 no hydrogen 2.582 N/A SER 211.A OG HIS 308.A O no hydrogen 3.226 N/A LEU 212.A N ASP 209.A O no hydrogen 3.445 N/A ASP 213.A N TYR 210.A O no hydrogen 2.631 N/A TRP 215.A N SER 211.A O no hydrogen 3.170 N/A SER 216.A N LEU 212.A O no hydrogen 3.216 N/A SER 216.A OG VAL 156.A O no hydrogen 3.498 N/A SER 216.A OG PHE 196.A O no hydrogen 2.739 N/A LEU 217.A N ASP 213.A O no hydrogen 2.940 N/A GLY 218.A N MET 214.A O no hydrogen 2.799 N/A CYS 219.A N TRP 215.A O no hydrogen 2.766 N/A CYS 219.A SG TYR 195.A O no hydrogen 3.996 N/A CYS 219.A SG TRP 215.A O no hydrogen 3.393 N/A MET 220.A N SER 216.A O no hydrogen 3.012 N/A LEU 221.A N LEU 217.A O no hydrogen 2.851 N/A ALA 222.A N GLY 218.A O no hydrogen 3.184 N/A SER 223.A N CYS 219.A O no hydrogen 2.863 N/A SER 223.A OG CYS 219.A O no hydrogen 3.199 N/A SER 223.A OG GLU 229.A OE2 no hydrogen 3.536 N/A MET 224.A N MET 220.A O no hydrogen 2.901 N/A ILE 225.A N LEU 221.A O no hydrogen 2.921 N/A PHE 226.A N ALA 222.A O no hydrogen 2.928 N/A PHE 226.A N SER 223.A O no hydrogen 3.185 N/A LYS 228.A N SER 223.A O no hydrogen 3.206 N/A GLY 234.A N GLN 240.A OE1 no hydrogen 3.335 N/A TYR 238.A N ASP 236.A OD2 no hydrogen 3.052 N/A ASP 239.A N ASP 236.A OD2 no hydrogen 3.332 N/A GLN 240.A N ASP 236.A O no hydrogen 2.888 N/A GLN 240.A NE2 PHE 232.A O no hydrogen 3.486 N/A LEU 241.A N ASN 237.A O no hydrogen 3.481 N/A VAL 242.A N TYR 238.A O no hydrogen 3.257 N/A ARG 243.A N ASP 239.A O no hydrogen 2.694 N/A ARG 243.A NH2 ARG 243.A O no hydrogen 3.349 N/A ILE 244.A N GLN 240.A O no hydrogen 2.989 N/A ILE 244.A N LEU 241.A O no hydrogen 2.871 N/A ALA 245.A N LEU 241.A O no hydrogen 2.746 N/A LYS 246.A N VAL 242.A O no hydrogen 3.009 N/A VAL 247.A N ILE 244.A O no hydrogen 3.000 N/A LEU 248.A N ILE 244.A O no hydrogen 2.862 N/A THR 250.A N HIS 275.A O no hydrogen 3.037 N/A THR 250.A OG1 HIS 275.A O no hydrogen 3.137 N/A TYR 254.A N THR 250.A O no hydrogen 2.983 N/A ASP 255.A N GLU 251.A O no hydrogen 3.034 N/A TYR 256.A N LEU 253.A O no hydrogen 2.905 N/A TYR 256.A OH HIS 308.A ND1 no hydrogen 2.870 N/A ILE 257.A N LEU 253.A O no hydrogen 3.036 N/A LYS 259.A N ASP 255.A O no hydrogen 3.166 N/A TYR 260.A OH ASP 307.A OD1 no hydrogen 2.261 N/A TYR 260.A OH GLN 309.A OE1 no hydrogen 2.889 N/A ASN 261.A N ASP 258.A O no hydrogen 3.462 N/A ASN 261.A ND2 SER 1.A OG no hydrogen 2.955 N/A ASN 261.A ND2 GLY 2.A O no hydrogen 2.320 N/A ILE 262.A N ILE 257.A O no hydrogen 3.259 N/A PHE 268.A N ASP 265.A O no hydrogen 3.118 N/A PHE 268.A N ASP 265.A OD1 no hydrogen 3.234 N/A ASN 269.A N PRO 266.A O no hydrogen 2.977 N/A ASP 270.A N ARG 267.A O no hydrogen 3.325 N/A LEU 272.A N PHE 268.A O no hydrogen 3.104 N/A HIS 275.A N THR 250.A OG1 no hydrogen 3.127 N/A ARG 277.A NH1 ASP 301.A OD1 no hydrogen 3.450 N/A LYS 278.A N VAL 247.A O no hydrogen 2.862 N/A LYS 278.A NZ SER 276.A O no hydrogen 2.581 N/A LYS 278.A NZ SER 276.A OG no hydrogen 2.717 N/A GLU 281.A N GLU 281.A OE1 no hydrogen 2.927 N/A ARG 282.A N ARG 279.A O no hydrogen 3.099 N/A VAL 284.A N GLU 281.A O no hydrogen 3.049 N/A HIS 285.A N ASN 288.A OD1 no hydrogen 3.095 N/A ASN 288.A ND2 PHE 226.A O no hydrogen 2.782 N/A ASN 288.A ND2 PHE 283.A O no hydrogen 3.182 N/A GLN 289.A NE2 SER 286.A O no hydrogen 3.611 N/A LEU 291.A N ASN 288.A O no hydrogen 3.406 N/A VAL 292.A N GLN 289.A O no hydrogen 3.048 N/A SER 293.A OG GLU 295.A OE1 no hydrogen 3.273 N/A ALA 296.A N SER 293.A OG no hydrogen 3.246 N/A LEU 297.A N SER 293.A O no hydrogen 2.955 N/A ASP 298.A N PRO 294.A O no hydrogen 2.824 N/A PHE 299.A N GLU 295.A O no hydrogen 2.694 N/A LEU 300.A N ALA 296.A O no hydrogen 2.672 N/A ASP 301.A N LEU 297.A O no hydrogen 2.709 N/A LYS 302.A N ASP 298.A O no hydrogen 3.115 N/A LYS 302.A N PHE 299.A O no hydrogen 3.121 N/A LYS 302.A NZ ASP 298.A OD1 no hydrogen 2.596 N/A LYS 302.A NZ ASP 298.A OD2 no hydrogen 3.103 N/A LEU 303.A N LEU 300.A O no hydrogen 2.936 N/A LEU 304.A N LEU 300.A O no hydrogen 3.377 N/A ARG 305.A N LEU 303.A O no hydrogen 2.991 N/A ARG 305.A NE ASP 301.A O no hydrogen 3.230 N/A ARG 305.A NH1 ASP 301.A OD2 no hydrogen 3.164 N/A TYR 306.A OH GLY 249.A O no hydrogen 2.737 N/A HIS 308.A ND1 TYR 256.A OH no hydrogen 2.870 N/A HIS 308.A NE2 SER 6.A OG no hydrogen 3.194 N/A GLN 309.A N ASP 307.A OD1 no hydrogen 3.238 N/A GLN 309.A NE2 SER 6.A OG no hydrogen 2.866 N/A SER 310.A N ASP 307.A O no hydrogen 2.620 N/A ARG 311.A N HIS 308.A O no hydrogen 3.332 N/A ARG 311.A NE ARG 305.A O no hydrogen 2.881 N/A ARG 311.A NH1 GLU 200.A OE1 no hydrogen 2.719 N/A ARG 311.A NH1 GLU 200.A OE2 no hydrogen 3.243 N/A ARG 311.A NH1 TYR 306.A O no hydrogen 3.411 N/A ARG 311.A NH2 GLU 200.A OE2 no hydrogen 2.741 N/A ARG 311.A NH2 SER 211.A O no hydrogen 2.890 N/A LEU 312.A N LYS 302.A O no hydrogen 3.063 N/A THR 313.A N GLU 316.A OE1 no hydrogen 2.651 N/A ALA 317.A N THR 313.A O no hydrogen 2.930 N/A ALA 317.A N ALA 314.A O no hydrogen 2.834 N/A MET 318.A N ALA 314.A O no hydrogen 2.998 N/A GLU 319.A N GLU 316.A O no hydrogen 3.321 N/A HIS 320.A NE2 ASP 298.A OD2 no hydrogen 2.781 N/A TYR 322.A N HIS 320.A ND1 no hydrogen 2.932 N/A PHE 323.A N HIS 320.A O no hydrogen 2.643 N/A TYR 324.A N PRO 321.A O no hydrogen 2.706 N/A VAL 326.A N PHE 323.A O no hydrogen 3.176 N/A VAL 327.A N THR 325.A O no hydrogen 2.407 N/A LYS 328.A NZ PHE 323.A O no hydrogen 3.307 N/A LYS 328.A NZ TYR 324.A O no hydrogen 3.555 N/A ASP 329.A N VAL 327.A O no hydrogen 2.554 N/A