Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3il6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N ALA 168.A O no hydrogen 3.350 N/A ARG 5.A NH1 GLU 166.A OE1 no hydrogen 3.095 N/A SER 7.A N LEU 164.A O no hydrogen 2.898 N/A SER 7.A OG GLU 166.A OE1 no hydrogen 2.706 N/A THR 9.A OG1 ASP 285.A OD1 no hydrogen 2.777 N/A SER 10.A N GLY 162.A O no hydrogen 3.119 N/A ARG 11.A NE TYR 272.A OH no hydrogen 3.010 N/A ARG 11.A NH1 ASP 285.A OD2 no hydrogen 2.593 N/A ARG 11.A NH1 GLU 289.A OE2 no hydrogen 2.801 N/A ARG 11.A NH2 GLU 289.A OE2 no hydrogen 3.155 N/A TYR 12.A N ALA 160.A O no hydrogen 2.599 N/A TYR 12.A OH GLU 49.A OE2 no hydrogen 2.751 N/A ASN 16.A ND2 ILE 45.A O no hydrogen 2.982 N/A VAL 18.A N ARG 43.A O no hydrogen 2.670 N/A ASN 20.A N SER 41.A O no hydrogen 3.183 N/A ASN 20.A ND2 ILE 40.A O no hydrogen 2.770 N/A GLN 22.A N THR 19.A O no hydrogen 3.174 N/A GLN 22.A N THR 19.A OG1 no hydrogen 3.402 N/A LEU 23.A N THR 19.A O no hydrogen 3.309 N/A SER 24.A N ASN 20.A O no hydrogen 2.877 N/A SER 24.A OG HIS 21.A O no hydrogen 2.783 N/A MET 26.A N GLN 22.A O no hydrogen 3.042 N/A MET 27.A N LEU 23.A O no hydrogen 2.955 N/A TRP 33.A N SER 30.A OG no hydrogen 2.915 N/A ILE 34.A N SER 30.A O no hydrogen 3.021 N/A HIS 35.A N ALA 31.A O no hydrogen 2.843 N/A SER 36.A N ALA 32.A O no hydrogen 3.080 N/A SER 36.A OG ALA 32.A O no hydrogen 3.341 N/A SER 36.A OG TRP 33.A O no hydrogen 3.385 N/A ARG 37.A N TRP 33.A O no hydrogen 3.109 N/A ARG 37.A NH1 ARG 150.A O no hydrogen 2.561 N/A ARG 37.A NH2 ARG 150.A O no hydrogen 3.166 N/A THR 38.A N ILE 34.A O no hydrogen 3.121 N/A THR 38.A OG1 ILE 34.A O no hydrogen 2.605 N/A THR 38.A OG1 ILE 40.A O no hydrogen 3.557 N/A GLY 39.A N HIS 35.A O no hydrogen 2.764 N/A ILE 40.A N THR 38.A OG1 no hydrogen 3.051 N/A SER 41.A N ASP 270.A O no hydrogen 2.934 N/A SER 41.A OG HIS 35.A NE2 no hydrogen 3.228 N/A SER 41.A OG ASP 270.A OD1 no hydrogen 2.672 N/A SER 41.A OG ASP 270.A OD2 no hydrogen 3.570 N/A GLU 42.A N ASP 270.A O no hydrogen 3.067 N/A ARG 43.A N VAL 18.A O no hydrogen 3.034 N/A ARG 43.A NH1 ASN 20.A OD1 no hydrogen 2.952 N/A ARG 43.A NH1 VAL 154.A O no hydrogen 2.951 N/A ARG 43.A NH2 VAL 18.A O no hydrogen 2.858 N/A ARG 43.A NH2 ASN 20.A OD1 no hydrogen 3.051 N/A ARG 44.A NH1 PRO 14.A O no hydrogen 2.762 N/A ILE 45.A N ASN 16.A O no hydrogen 3.043 N/A VAL 46.A N ASP 158.A OD2 no hydrogen 2.874 N/A ASN 50.A N ASP 53.A OD2 no hydrogen 2.879 N/A THR 51.A N ASN 50.A OD1 no hydrogen 2.793 N/A THR 51.A OG1 THR 82.A O no hydrogen 2.419 N/A THR 51.A OG1 THR 140.A OG1 no hydrogen 2.812 N/A SER 52.A N ASP 84.A OD2 no hydrogen 3.140 N/A SER 52.A OG ASP 84.A OD1 no hydrogen 2.521 N/A ASP 53.A N ASN 50.A O no hydrogen 2.876 N/A LEU 54.A N ASN 50.A O no hydrogen 3.303 N/A CYS 55.A N THR 51.A O no hydrogen 2.985 N/A CYS 55.A SG THR 51.A O no hydrogen 3.300 N/A HIS 56.A N SER 52.A O no hydrogen 2.696 N/A GLN 57.A N ASP 53.A O no hydrogen 3.090 N/A VAL 58.A N LEU 54.A O no hydrogen 3.175 N/A ALA 59.A N CYS 55.A O no hydrogen 3.032 N/A LYS 60.A N HIS 56.A O no hydrogen 2.854 N/A GLN 61.A N GLN 57.A O no hydrogen 2.785 N/A LEU 62.A N VAL 58.A O no hydrogen 2.863 N/A LEU 63.A N ALA 59.A O no hydrogen 2.945 N/A GLU 64.A N LYS 60.A O no hydrogen 3.191 N/A LYS 65.A N GLN 61.A O no hydrogen 2.940 N/A LYS 65.A NZ THR 9.A O no hydrogen 2.619 N/A SER 66.A N LEU 62.A O no hydrogen 3.172 N/A SER 66.A OG LEU 62.A O no hydrogen 2.827 N/A SER 66.A OG LEU 63.A O no hydrogen 3.493 N/A GLY 67.A N LEU 63.A O no hydrogen 3.017 N/A LYS 68.A N SER 66.A OG no hydrogen 3.321 N/A LYS 68.A NZ GLU 166.A OE2 no hydrogen 3.096 N/A GLN 69.A N GLU 72.A OE2 no hydrogen 2.777 N/A GLU 72.A N GLN 69.A O no hydrogen 2.925 N/A ILE 73.A N ALA 70.A O no hydrogen 3.265 N/A ASP 74.A N THR 132.A O no hydrogen 2.638 N/A PHE 75.A N THR 132.A O no hydrogen 3.378 N/A ILE 76.A N PHE 104.A O no hydrogen 3.018 N/A LEU 77.A N LEU 134.A O no hydrogen 2.921 N/A VAL 78.A N PHE 106.A O no hydrogen 3.246 N/A ALA 79.A N ILE 136.A O no hydrogen 2.808 N/A THR 80.A N ILE 108.A O no hydrogen 3.371 N/A THR 80.A OG1 GLY 138.A O no hydrogen 2.813 N/A THR 80.A OG1 GLU 139.A OE1 no hydrogen 3.132 N/A VAL 81.A N GLU 139.A OE1 no hydrogen 2.885 N/A THR 82.A N THR 80.A OG1 no hydrogen 3.159 N/A THR 82.A OG1 GLU 139.A OE1 no hydrogen 2.661 N/A VAL 90.A N ASP 107.A OD2 no hydrogen 2.540 N/A ALA 91.A N ASP 107.A OD1 no hydrogen 2.692 N/A CYS 92.A N SER 89.A OG no hydrogen 3.079 N/A CYS 92.A SG SER 89.A OG no hydrogen 3.267 N/A CYS 92.A SG ALA 105.A O no hydrogen 3.767 N/A GLN 93.A N SER 89.A O no hydrogen 3.235 N/A VAL 94.A N VAL 90.A O no hydrogen 3.000 N/A GLN 95.A N ALA 91.A O no hydrogen 2.973 N/A GLN 95.A NE2 ALA 103.A O no hydrogen 2.683 N/A GLY 96.A N CYS 92.A O no hydrogen 3.076 N/A ALA 97.A N GLN 93.A O no hydrogen 2.917 N/A ILE 98.A N VAL 94.A O no hydrogen 2.966 N/A GLY 99.A N GLY 96.A O no hydrogen 3.287 N/A ALA 100.A N GLN 95.A O no hydrogen 2.923 N/A THR 101.A OG1 GLU 102.A OE2 no hydrogen 2.767 N/A ALA 103.A N ALA 100.A O no hydrogen 2.994 N/A PHE 104.A N ASP 74.A O no hydrogen 3.221 N/A PHE 106.A N ILE 76.A O no hydrogen 3.222 N/A ILE 108.A N VAL 78.A O no hydrogen 2.832 N/A SER 112.A OG THR 311.A OG1 no hydrogen 2.545 N/A GLY 113.A N ALA 111.A O no hydrogen 3.084 N/A TYR 116.A N SER 112.A O no hydrogen 2.922 N/A TYR 116.A OH GLN 179.A O no hydrogen 2.604 N/A ALA 117.A N GLY 113.A O no hydrogen 2.811 N/A LEU 118.A N PHE 114.A O no hydrogen 2.834 N/A SER 119.A N VAL 115.A O no hydrogen 2.964 N/A SER 119.A OG GLU 176.A OE1 no hydrogen 3.295 N/A SER 119.A OG GLU 176.A OE2 no hydrogen 3.084 N/A MET 120.A N TYR 116.A O no hydrogen 3.010 N/A ALA 121.A N ALA 117.A O no hydrogen 2.971 N/A GLU 122.A N LEU 118.A O no hydrogen 3.100 N/A LYS 123.A N SER 119.A O no hydrogen 3.132 N/A LYS 123.A NZ SER 119.A O no hydrogen 3.485 N/A LYS 123.A NZ SER 119.A OG no hydrogen 3.236 N/A LYS 123.A NZ GLU 122.A OE1 no hydrogen 2.903 N/A LYS 123.A NZ GLU 176.A OE1 no hydrogen 2.738 N/A LYS 123.A NZ GLU 176.A OE2 no hydrogen 2.581 N/A LEU 124.A N MET 120.A O no hydrogen 2.873 N/A VAL 125.A N ALA 121.A O no hydrogen 2.916 N/A LEU 126.A N GLU 122.A O no hydrogen 2.863 N/A SER 127.A N LYS 123.A O no hydrogen 3.159 N/A SER 127.A OG LEU 124.A O no hydrogen 2.750 N/A GLY 128.A N VAL 125.A O no hydrogen 3.096 N/A ARG 129.A N SER 127.A OG no hydrogen 3.011 N/A GLN 131.A N ASP 74.A OD1 no hydrogen 2.912 N/A THR 132.A N ASP 74.A OD1 no hydrogen 3.123 N/A GLY 133.A N ILE 165.A O no hydrogen 2.893 N/A LEU 134.A N PHE 75.A O no hydrogen 3.050 N/A VAL 135.A N VAL 163.A O no hydrogen 3.193 N/A ILE 136.A N LEU 77.A O no hydrogen 2.884 N/A GLY 137.A N ALA 161.A O no hydrogen 2.869 N/A GLY 138.A N ALA 79.A O no hydrogen 3.015 N/A GLU 139.A N GLY 159.A O no hydrogen 3.211 N/A THR 140.A N THR 82.A OG1 no hydrogen 2.932 N/A THR 140.A OG1 ASN 50.A OD1 no hydrogen 3.569 N/A THR 140.A OG1 THR 51.A OG1 no hydrogen 2.812 N/A SER 142.A N ASP 158.A OD1 no hydrogen 3.230 N/A SER 142.A OG ASP 158.A OD1 no hydrogen 3.352 N/A SER 142.A OG ASP 158.A OD2 no hydrogen 2.496 N/A LYS 143.A N THR 140.A O no hydrogen 3.330 N/A LYS 143.A NZ ASN 50.A OD1 no hydrogen 2.677 N/A LYS 143.A NZ THR 82.A O no hydrogen 3.492 N/A MET 144.A N PHE 141.A O no hydrogen 2.719 N/A TRP 147.A NE1 SER 142.A O no hydrogen 2.921 N/A THR 148.A N ASP 146.A OD1 no hydrogen 3.287 N/A THR 148.A OG1 ASP 146.A OD1 no hydrogen 2.546 N/A THR 148.A OG1 ASP 146.A OD2 no hydrogen 3.315 N/A ASP 149.A N ASP 146.A O no hydrogen 3.191 N/A SER 151.A N ASP 149.A OD1 no hydrogen 3.286 N/A SER 151.A OG ASP 149.A OD1 no hydrogen 2.459 N/A SER 151.A OG ASP 149.A OD2 no hydrogen 3.084 N/A THR 152.A OG1 ASP 149.A OD2 no hydrogen 2.851 N/A ALA 153.A N ASP 149.A O no hydrogen 3.375 N/A LEU 155.A N THR 152.A O no hydrogen 2.825 N/A PHE 156.A N ALA 153.A O no hydrogen 3.455 N/A GLY 157.A N ASN 274.A O no hydrogen 2.922 N/A ASP 158.A N ARG 44.A O no hydrogen 2.709 N/A GLY 159.A N GLU 139.A O no hydrogen 3.350 N/A ALA 160.A N TYR 12.A O no hydrogen 2.772 N/A ALA 161.A N GLY 137.A O no hydrogen 3.127 N/A GLY 162.A N SER 10.A O no hydrogen 2.881 N/A VAL 163.A N VAL 135.A O no hydrogen 3.014 N/A LEU 164.A N CYS 8.A O no hydrogen 2.914 N/A ILE 165.A N GLY 133.A O no hydrogen 2.824 N/A GLU 166.A N ARG 5.A O no hydrogen 3.086 N/A ALA 168.A N TYR 3.A O no hydrogen 2.541 N/A HIS 172.A ND1 THR 318.A O no hydrogen 2.770 N/A LEU 174.A N LEU 316.A O no hydrogen 2.845 N/A ASN 175.A N LEU 316.A O no hydrogen 3.260 N/A GLU 176.A N ASN 175.A OD1 no hydrogen 2.768 N/A LYS 177.A N SER 314.A O no hydrogen 3.048 N/A GLN 179.A N TRP 312.A O no hydrogen 2.707 N/A ASP 181.A N LEU 310.A O no hydrogen 2.835 N/A GLN 183.A N ASP 181.A OD1 no hydrogen 3.208 N/A ARG 184.A N ASP 181.A O no hydrogen 3.398 N/A ARG 184.A NE ASP 181.A OD2 no hydrogen 2.609 N/A ARG 184.A NH1 ASP 181.A OD2 no hydrogen 2.999 N/A ARG 184.A NH1 ASP 224.A OD2 no hydrogen 2.951 N/A TRP 185.A N GLY 182.A O no hydrogen 3.335 N/A ALA 187.A N ARG 184.A O no hydrogen 3.174 N/A THR 189.A N GLN 211.A O no hydrogen 2.985 N/A GLY 191.A N LYS 208.A O no hydrogen 2.885 N/A SER 197.A N ASN 195.A OD1 no hydrogen 3.141 N/A SER 197.A OG ASN 195.A OD1 no hydrogen 3.421 N/A PHE 199.A N SER 197.A OG no hydrogen 3.261 N/A TYR 200.A N SER 197.A O no hydrogen 3.106 N/A GLN 205.A NE2 HIS 203.A O no hydrogen 3.380 N/A SER 207.A OG THR 209.A OG1 no hydrogen 3.193 N/A LYS 208.A NZ LYS 143.A O no hydrogen 3.231 N/A THR 209.A OG1 SER 207.A OG no hydrogen 3.193 N/A LEU 210.A N MET 144.A O no hydrogen 2.840 N/A GLN 211.A N THR 189.A O no hydrogen 2.837 N/A GLN 211.A NE2 THR 209.A O no hydrogen 3.382 N/A GLU 213.A N ALA 187.A O no hydrogen 2.916 N/A ARG 215.A NE ASP 219.A OD1 no hydrogen 3.533 N/A ARG 215.A NE ASP 219.A OD2 no hydrogen 3.283 N/A ARG 215.A NH1 ASP 219.A OD2 no hydrogen 2.951 N/A SER 216.A OG GLU 213.A OE2 no hydrogen 3.227 N/A ILE 217.A N GLU 213.A O no hydrogen 3.055 N/A PHE 218.A N GLY 214.A O no hydrogen 2.870 N/A ASP 219.A N ARG 215.A O no hydrogen 2.948 N/A PHE 220.A N SER 216.A O no hydrogen 3.026 N/A ALA 221.A N ILE 217.A O no hydrogen 2.941 N/A ILE 222.A N PHE 218.A O no hydrogen 3.173 N/A LYS 223.A N ASP 219.A O no hydrogen 3.030 N/A ASP 224.A N PHE 220.A O no hydrogen 2.815 N/A VAL 225.A N ALA 221.A O no hydrogen 2.937 N/A SER 226.A OG ILE 222.A O no hydrogen 2.537 N/A GLN 227.A N LYS 223.A O no hydrogen 3.356 N/A ASN 228.A N ASP 224.A O no hydrogen 3.023 N/A ASN 228.A ND2 LYS 177.A O no hydrogen 2.814 N/A ASN 228.A ND2 GLN 179.A OE1 no hydrogen 2.757 N/A ILE 229.A N VAL 225.A O no hydrogen 2.874 N/A LEU 230.A N SER 226.A O no hydrogen 3.002 N/A SER 231.A N ASN 228.A O no hydrogen 3.390 N/A SER 231.A OG ASN 228.A O no hydrogen 2.798 N/A LEU 232.A N ILE 229.A O no hydrogen 3.075 N/A VAL 233.A N ILE 229.A O no hydrogen 3.165 N/A THR 234.A N THR 237.A OG1 no hydrogen 3.172 N/A THR 234.A OG1 GLU 236.A OE2 no hydrogen 2.804 N/A THR 237.A N THR 234.A O no hydrogen 2.843 N/A THR 237.A OG1 THR 234.A O no hydrogen 3.370 N/A ASP 239.A N ARG 300.A O no hydrogen 2.932 N/A TYR 240.A N ARG 300.A O no hydrogen 3.389 N/A LEU 241.A N LYS 264.A O no hydrogen 2.838 N/A LEU 242.A N VAL 302.A O no hydrogen 2.803 N/A HIS 244.A N THR 304.A O no hydrogen 2.828 N/A HIS 244.A ND1 SER 279.A OG no hydrogen 2.837 N/A GLN 245.A N SER 279.A OG no hydrogen 3.222 N/A GLN 245.A NE2 LEU 243.A O no hydrogen 2.706 N/A GLN 245.A NE2 LEU 266.A O no hydrogen 3.491 N/A ALA 246.A N HIS 244.A O no hydrogen 3.005 N/A ARG 249.A NH1 ASP 252.A OD1 no hydrogen 2.743 N/A ILE 250.A N ASN 247.A O no hydrogen 3.114 N/A ILE 250.A N ASN 247.A OD1 no hydrogen 3.289 N/A ASP 252.A N VAL 248.A O no hydrogen 2.856 N/A LYS 253.A N ARG 249.A O no hydrogen 2.993 N/A ILE 254.A N ILE 250.A O no hydrogen 2.811 N/A ALA 255.A N ILE 251.A O no hydrogen 2.996 N/A LYS 257.A N LYS 253.A O no hydrogen 2.925 N/A THR 258.A N ILE 254.A O no hydrogen 2.893 N/A THR 258.A OG1 ILE 254.A O no hydrogen 2.687 N/A THR 258.A OG1 ALA 255.A O no hydrogen 3.519 N/A LYS 259.A N ARG 256.A O no hydrogen 3.303 N/A ILE 260.A N ALA 255.A O no hydrogen 3.160 N/A SER 261.A N ASP 235.A OD2 no hydrogen 3.285 N/A SER 261.A OG GLU 263.A OE2 no hydrogen 2.458 N/A ARG 262.A NE ASP 252.A OD2 no hydrogen 2.873 N/A ARG 262.A NH1 ASP 252.A OD2 no hydrogen 3.317 N/A ARG 262.A NH2 ARG 262.A O no hydrogen 2.847 N/A GLU 263.A N GLU 263.A OE2 no hydrogen 2.841 N/A LYS 264.A N SER 261.A O no hydrogen 2.874 N/A LYS 264.A NZ ASP 235.A OD2 no hydrogen 2.639 N/A LYS 264.A NZ VAL 238.A O no hydrogen 2.781 N/A PHE 265.A N ARG 262.A O no hydrogen 3.194 N/A LEU 266.A N LEU 241.A O no hydrogen 3.158 N/A ASN 268.A N GLN 245.A OE1 no hydrogen 3.090 N/A ASN 268.A ND2 GLU 286.A OE2 no hydrogen 3.120 N/A TYR 272.A N MET 269.A O no hydrogen 3.115 N/A TYR 272.A OH GLU 286.A OE1 no hydrogen 2.714 N/A GLY 273.A N MET 269.A O no hydrogen 2.745 N/A ASN 274.A N LEU 155.A O no hydrogen 2.904 N/A SER 276.A N.A ASN 274.A OD1 no hydrogen 2.831 N/A SER 276.A N.B ASN 274.A OD1 no hydrogen 2.839 N/A SER 276.A OG.B GLU 139.A OE2 no hydrogen 3.145 N/A ALA 278.A N THR 275.A O no hydrogen 2.991 N/A SER 279.A N SER 276.A O.A no hydrogen 2.886 N/A SER 279.A N SER 276.A O.B no hydrogen 2.892 N/A SER 279.A OG HIS 244.A ND1 no hydrogen 2.837 N/A SER 279.A OG SER 276.A O.A no hydrogen 3.034 N/A SER 279.A OG SER 276.A O.B no hydrogen 3.037 N/A ILE 282.A N ALA 278.A O no hydrogen 2.960 N/A LEU 283.A N SER 279.A O no hydrogen 3.041 N/A LEU 284.A N ILE 280.A O no hydrogen 2.739 N/A ASP 285.A N PRO 281.A O no hydrogen 2.942 N/A GLU 286.A N ILE 282.A O no hydrogen 3.061 N/A ALA 287.A N LEU 283.A O no hydrogen 2.979 N/A VAL 288.A N LEU 284.A O no hydrogen 2.983 N/A GLU 289.A N ASP 285.A O no hydrogen 2.825 N/A ASN 290.A N GLU 286.A O no hydrogen 2.920 N/A GLY 291.A N VAL 288.A O no hydrogen 3.095 N/A THR 292.A N ASN 290.A OD1 no hydrogen 3.199 N/A THR 292.A OG1 ASN 290.A OD1 no hydrogen 2.866 N/A LEU 293.A N ALA 287.A O no hydrogen 2.871 N/A GLY 296.A N LEU 319.A OXT no hydrogen 2.529 N/A SER 297.A N ILE 294.A O no hydrogen 3.179 N/A SER 297.A OG ILE 294.A O no hydrogen 2.484 N/A GLN 298.A N LEU 319.A O no hydrogen 2.902 N/A ARG 300.A N ASP 239.A OD2 no hydrogen 2.897 N/A ARG 300.A NE THR 237.A O no hydrogen 2.607 N/A VAL 301.A N LEU 317.A O no hydrogen 2.690 N/A VAL 302.A N TYR 240.A O no hydrogen 3.084 N/A LEU 303.A N LEU 315.A O no hydrogen 2.903 N/A THR 304.A N LEU 242.A O no hydrogen 3.014 N/A THR 304.A OG1 SER 314.A OG no hydrogen 2.761 N/A GLY 305.A N GLY 313.A O no hydrogen 3.079 N/A GLY 307.A N THR 311.A O no hydrogen 2.824 N/A LEU 310.A N ASP 181.A O no hydrogen 2.836 N/A THR 311.A N GLY 307.A O no hydrogen 2.985 N/A THR 311.A OG1 ALA 110.A O no hydrogen 3.094 N/A THR 311.A OG1 SER 112.A OG no hydrogen 2.545 N/A THR 311.A OG1 GLY 308.A O no hydrogen 3.034 N/A TRP 312.A N GLN 179.A O no hydrogen 3.080 N/A GLY 313.A N GLY 305.A O no hydrogen 3.016 N/A SER 314.A N LYS 177.A O no hydrogen 3.122 N/A SER 314.A OG ASN 228.A OD1 no hydrogen 2.666 N/A SER 314.A OG THR 304.A OG1 no hydrogen 2.761 N/A LEU 315.A N LEU 303.A O no hydrogen 2.943 N/A LEU 316.A N ASN 175.A O no hydrogen 2.944 N/A LEU 317.A N VAL 301.A O no hydrogen 2.722 N/A THR 318.A N HIS 172.A O no hydrogen 2.942 N/A LEU 319.A N GLN 299.A O no hydrogen 3.016 N/A