Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6knf_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 11.A N ASP 8.A O no hydrogen 3.150 N/A THR 11.A OG1 ASP 8.A O no hydrogen 2.403 N/A LEU 12.A N ILE 9.A O no hydrogen 2.847 N/A ARG 14.A NH1 GLU 40.A OE2 no hydrogen 2.270 N/A VAL 15.A N VAL 38.A O no hydrogen 2.955 N/A VAL 17.A N GLU 40.A O no hydrogen 3.142 N/A HIS 26.A ND1 ALA 27.A O no hydrogen 2.632 N/A HIS 28.A ND1 HIS 26.A O no hydrogen 3.112 N/A HIS 28.A NE2 TYR 172.A OH no hydrogen 3.108 N/A GLN 30.A NE2 TYR 172.A O no hydrogen 2.628 N/A LYS 33.A NZ ASP 29.A OD2 no hydrogen 3.221 N/A ARG 37.A N ASP 79.A OD1 no hydrogen 3.233 N/A VAL 38.A N PRO 13.A O no hydrogen 3.019 N/A VAL 39.A N TYR 80.A O no hydrogen 2.958 N/A PHE 41.A N GLU 82.A O no hydrogen 3.128 N/A MET 43.A N ARG 84.A O no hydrogen 3.295 N/A THR 44.A N ASN 65.A OD1 no hydrogen 2.745 N/A ILE 45.A N ILE 86.A O no hydrogen 3.290 N/A GLU 46.A N THR 63.A O no hydrogen 2.916 N/A LYS 48.A N ALA 61.A O no hydrogen 2.935 N/A LEU 50.A N ILE 59.A O no hydrogen 2.892 N/A ILE 52.A N THR 57.A O no hydrogen 3.147 N/A THR 57.A N ASP 53.A OD1 no hydrogen 2.742 N/A THR 57.A OG1 ASP 53.A OD2 no hydrogen 2.876 N/A ILE 59.A N LEU 50.A O no hydrogen 2.894 N/A THR 63.A N GLU 46.A O no hydrogen 2.885 N/A THR 63.A OG1 GLU 46.A O no hydrogen 3.047 N/A ASN 65.A N THR 44.A O no hydrogen 2.474 N/A SER 67.A OG PRO 69.A O no hydrogen 2.818 N/A GLY 70.A N ASN 151.A O no hydrogen 2.895 N/A VAL 74.A N HIS 26.A NE2 no hydrogen 3.382 N/A VAL 75.A N MET 155.A O no hydrogen 2.945 N/A ASN 78.A N ALA 126.A O no hydrogen 2.575 N/A TYR 80.A N ARG 37.A O no hydrogen 3.273 N/A VAL 81.A N PHE 124.A O no hydrogen 2.892 N/A GLU 82.A N VAL 39.A O no hydrogen 2.989 N/A LEU 83.A N LEU 122.A O no hydrogen 2.890 N/A ARG 84.A N PHE 41.A O no hydrogen 3.109 N/A ARG 84.A NE GLU 119.A OE1 no hydrogen 2.561 N/A ARG 84.A NH2 GLU 119.A OE1 no hydrogen 2.907 N/A ARG 84.A NH2 GLU 119.A OE2 no hydrogen 2.810 N/A LEU 85.A N THR 120.A O no hydrogen 2.843 N/A ILE 86.A N MET 43.A O no hydrogen 3.270 N/A ASN 87.A N GLU 118.A O no hydrogen 2.937 N/A ASN 87.A ND2 LEU 93.A O no hydrogen 3.409 N/A ASN 87.A ND2 VAL 114.A O no hydrogen 3.189 N/A ASP 89.A N ASP 89.A OD1 no hydrogen 2.457 N/A ASN 91.A ND2 ILE 45.A O no hydrogen 3.428 N/A ASN 91.A ND2 ASN 87.A OD1 no hydrogen 3.026 N/A HIS 95.A N VAL 114.A O no hydrogen 3.283 N/A HIS 95.A NE2 GLU 47.A OE2 no hydrogen 2.894 N/A ASN 96.A ND2 GLY 109.A O no hydrogen 2.614 N/A ASN 96.A ND2 ALA 137.A O no hydrogen 3.593 N/A PHE 99.A N GLY 107.A O no hydrogen 2.984 N/A HIS 100.A N VAL 133.A O no hydrogen 3.069 N/A HIS 100.A NE2 HIS 135.A NE2 no hydrogen 3.089 N/A GLY 108.A N ALA 105.A O no hydrogen 2.944 N/A GLY 109.A N ALA 105.A O no hydrogen 3.007 N/A GLY 109.A N LEU 106.A O no hydrogen 3.145 N/A ALA 110.A N ALA 105.A O no hydrogen 3.329 N/A THR 112.A OG1 GLY 108.A O no hydrogen 2.549 N/A GLN 113.A NE2 GLU 139.A OE1 no hydrogen 2.554 N/A VAL 114.A N HIS 95.A O no hydrogen 3.021 N/A ASN 115.A ND2 GLU 118.A OE2 no hydrogen 3.454 N/A GLY 117.A N PRO 88.A O no hydrogen 2.799 N/A GLU 118.A N ASN 87.A O no hydrogen 2.911 N/A THR 120.A N LEU 85.A O no hydrogen 2.929 N/A THR 120.A OG1 GLU 119.A O no hydrogen 2.964 N/A LEU 122.A N LEU 83.A O no hydrogen 2.932 N/A PHE 124.A N VAL 81.A O no hydrogen 2.945 N/A ALA 126.A N ASP 79.A O no hydrogen 2.928 N/A GLY 130.A N VAL 156.A O no hydrogen 2.921 N/A VAL 131.A N GLY 268.A O no hydrogen 2.717 N/A PHE 132.A N ILE 154.A O no hydrogen 2.898 N/A TYR 134.A N GLY 152.A O no hydrogen 2.896 N/A TYR 134.A OH PRO 71.A O no hydrogen 3.009 N/A HIS 135.A N ASP 98.A O no hydrogen 3.093 N/A HIS 135.A ND1 CYS 136.A O no hydrogen 2.935 N/A HIS 135.A NE2 HIS 100.A NE2 no hydrogen 3.089 N/A CYS 136.A N MET 150.A O no hydrogen 3.184 N/A CYS 136.A SG HIS 95.A ND1 no hydrogen 3.824 N/A CYS 136.A SG ASN 96.A O no hydrogen 3.312 N/A CYS 136.A SG HIS 145.A ND1 no hydrogen 3.470 N/A ALA 137.A N ASN 96.A O no hydrogen 3.246 N/A ALA 137.A N ASN 96.A OD1 no hydrogen 3.342 N/A GLU 139.A N GLU 139.A OE2 no hydrogen 2.305 N/A MET 141.A N PRO 138.A O no hydrogen 3.062 N/A HIS 145.A N MET 141.A O no hydrogen 3.085 N/A VAL 146.A N VAL 142.A O no hydrogen 2.960 N/A THR 147.A N PRO 143.A O no hydrogen 2.881 N/A THR 147.A OG1 PRO 143.A O no hydrogen 2.562 N/A SER 148.A OG TRP 144.A O no hydrogen 2.208 N/A MET 150.A N HIS 145.A O no hydrogen 3.426 N/A ASN 151.A N GLY 149.A O no hydrogen 3.073 N/A ASN 151.A ND2 GLN 181.A OE1 no hydrogen 3.098 N/A GLY 152.A N TYR 134.A O no hydrogen 2.894 N/A ILE 154.A N PHE 132.A O no hydrogen 2.924 N/A MET 155.A N MET 73.A O no hydrogen 2.878 N/A VAL 156.A N GLY 130.A O no hydrogen 2.882 N/A LEU 157.A N VAL 75.A O no hydrogen 2.914 N/A ARG 159.A NH1 ASP 79.A OD2 no hydrogen 3.007 N/A ARG 159.A NH2 ASP 79.A OD2 no hydrogen 3.390 N/A GLY 161.A N PRO 158.A O no hydrogen 3.308 N/A ASP 164.A N GLN 168.A O no hydrogen 3.024 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.700 N/A GLY 167.A N ASP 164.A O no hydrogen 3.174 N/A GLN 168.A N ASP 164.A OD1 no hydrogen 2.562 N/A GLN 168.A NE2 LYS 166.A O no hydrogen 3.150 N/A TYR 172.A N GLN 30.A OE1 no hydrogen 3.448 N/A TYR 172.A OH HIS 28.A NE2 no hydrogen 3.108 N/A ASP 173.A N ARG 240.A O no hydrogen 2.747 N/A LYS 174.A N ARG 240.A O no hydrogen 2.988 N/A LYS 174.A NZ TYR 176.A OH no hydrogen 2.861 N/A TYR 176.A N LEU 242.A O no hydrogen 2.918 N/A TYR 176.A OH THR 234.A O no hydrogen 3.139 N/A VAL 178.A N VAL 244.A O no hydrogen 2.878 N/A GLU 180.A N SER 246.A O no hydrogen 3.240 N/A GLN 181.A N VAL 219.A O no hydrogen 2.960 N/A GLN 181.A NE2 VAL 146.A O no hydrogen 3.384 N/A PHE 183.A N HIS 217.A O no hydrogen 2.869 N/A TYR 184.A OH ASP 182.A OD2 no hydrogen 3.172 N/A VAL 185.A N THR 216.A OG1 no hydrogen 2.863 N/A ASP 188.A N ASN 192.A O no hydrogen 3.061 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.759 N/A ALA 190.A N ASP 188.A OD1 no hydrogen 3.248 N/A GLY 191.A N ASP 188.A O no hydrogen 3.320 N/A ASN 192.A N ASP 188.A OD1 no hydrogen 3.071 N/A LYS 194.A N PRO 186.A O no hydrogen 2.985 N/A TYR 196.A OH ASP 205.A OD1 no hydrogen 2.427 N/A THR 198.A N GLU 201.A OE2 no hydrogen 2.749 N/A THR 198.A OG1 GLU 201.A OE1 no hydrogen 2.790 N/A THR 198.A OG1 GLU 201.A OE2 no hydrogen 2.277 N/A GLU 201.A N THR 198.A O no hydrogen 3.174 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.358 N/A TYR 203.A OH GLY 140.A O no hydrogen 3.395 N/A GLU 204.A N GLU 204.A OE1 no hydrogen 2.601 N/A ALA 206.A N ALA 202.A O no hydrogen 2.931 N/A VAL 207.A N TYR 203.A O no hydrogen 2.942 N/A LYS 208.A N GLU 204.A O no hydrogen 2.994 N/A ALA 209.A N ASP 205.A O no hydrogen 2.907 N/A MET 210.A N ALA 206.A O no hydrogen 2.906 N/A ARG 211.A N VAL 207.A O no hydrogen 2.944 N/A THR 212.A N LYS 208.A O no hydrogen 3.066 N/A THR 212.A N ALA 209.A O no hydrogen 3.089 N/A THR 212.A OG1 ALA 209.A O no hydrogen 2.302 N/A LEU 213.A N MET 210.A O no hydrogen 2.836 N/A THR 216.A N PHE 183.A O no hydrogen 2.864 N/A THR 216.A OG1 PHE 183.A O no hydrogen 2.586 N/A HIS 217.A N PHE 183.A O no hydrogen 2.987 N/A ILE 218.A N LEU 314.A O no hydrogen 3.279 N/A VAL 219.A N GLN 181.A O no hydrogen 2.919 N/A ASN 221.A N GLY 179.A O no hydrogen 3.297 N/A VAL 224.A N ILE 52.A O no hydrogen 2.673 N/A ALA 226.A N ALA 223.A O no hydrogen 3.176 N/A THR 228.A N GLY 225.A O no hydrogen 3.111 N/A LEU 233.A N HIS 319.A O no hydrogen 2.944 N/A ALA 235.A N LYS 321.A O no hydrogen 2.909 N/A ALA 236.A N GLU 239.A OE1 no hydrogen 2.876 N/A VAL 237.A N THR 323.A O no hydrogen 3.053 N/A GLY 238.A N PHE 295.A O no hydrogen 2.873 N/A GLU 239.A N ALA 236.A O no hydrogen 2.970 N/A ARG 240.A N ASP 173.A OD2 no hydrogen 3.053 N/A ARG 240.A NE ASP 173.A OD2 no hydrogen 3.365 N/A ARG 240.A NH2 ASP 173.A OD1 no hydrogen 2.347 N/A VAL 241.A N TYR 293.A O no hydrogen 2.909 N/A LEU 242.A N LYS 174.A O no hydrogen 2.925 N/A VAL 243.A N ALA 291.A O no hydrogen 2.903 N/A VAL 244.A N TYR 176.A O no hydrogen 2.927 N/A HIS 245.A N GLY 289.A O no hydrogen 2.931 N/A HIS 245.A ND1 TYR 303.A OH no hydrogen 2.660 N/A SER 246.A N VAL 178.A O no hydrogen 2.979 N/A GLN 247.A N THR 287.A O no hydrogen 2.996 N/A GLN 247.A NE2 GLU 180.A OE1 no hydrogen 2.852 N/A ASN 249.A N GLN 247.A OE1 no hydrogen 3.097 N/A ASN 249.A ND2 ASP 182.A OD2 no hydrogen 3.361 N/A ARG 250.A N GLN 247.A OE1 no hydrogen 3.142 N/A THR 252.A N ILE 283.A O no hydrogen 3.046 N/A THR 252.A OG1 GLU 180.A OE1 no hydrogen 2.978 N/A THR 252.A OG1 GLU 180.A OE2 no hydrogen 3.517 N/A ARG 253.A N ASN 305.A OD1 no hydrogen 3.057 N/A HIS 255.A N VAL 304.A O no hydrogen 2.908 N/A HIS 255.A ND1 GLU 279.A O no hydrogen 2.452 N/A ILE 257.A N ALA 302.A O no hydrogen 2.905 N/A GLY 259.A N LEU 256.A O no hydrogen 3.074 N/A GLY 261.A N GLN 278.A O no hydrogen 2.778 N/A TYR 263.A N PHE 292.A O no hydrogen 3.038 N/A VAL 264.A N ASP 275.A O no hydrogen 3.168 N/A TRP 265.A N ALA 290.A O no hydrogen 2.917 N/A LYS 269.A NZ VAL 131.A O no hydrogen 3.243 N/A LYS 269.A NZ THR 267.A O no hydrogen 2.371 N/A ASN 272.A ND2 LYS 269.A O no hydrogen 3.263 N/A ASP 275.A N VAL 264.A O no hydrogen 3.076 N/A GLN 278.A N GLY 261.A O no hydrogen 3.183 N/A GLN 278.A NE2 LEU 276.A O no hydrogen 3.070 N/A THR 280.A OG1 HIS 255.A ND1 no hydrogen 2.824 N/A THR 280.A OG1 GLU 279.A O no hydrogen 2.623 N/A ILE 283.A N THR 252.A O no hydrogen 2.870 N/A GLY 285.A N ASP 251.A OD1 no hydrogen 2.750 N/A THR 287.A N GLN 247.A O no hydrogen 2.883 N/A THR 287.A OG1 THR 267.A O no hydrogen 3.560 N/A GLY 289.A N HIS 245.A O no hydrogen 2.889 N/A ALA 290.A N TRP 265.A O no hydrogen 2.968 N/A ALA 291.A N VAL 243.A O no hydrogen 2.946 N/A PHE 292.A N TYR 263.A O no hydrogen 2.841 N/A TYR 293.A N VAL 241.A O no hydrogen 2.977 N/A THR 294.A OG1 GLU 239.A O no hydrogen 3.130 N/A PHE 295.A N GLU 239.A O no hydrogen 3.353 N/A GLY 299.A N VAL 322.A O no hydrogen 2.898 N/A TYR 301.A N PHE 320.A O no hydrogen 2.891 N/A TYR 301.A OH GLN 297.A O no hydrogen 2.910 N/A TYR 303.A N GLY 318.A O no hydrogen 2.911 N/A TYR 303.A OH HIS 245.A ND1 no hydrogen 2.660 N/A VAL 304.A N HIS 255.A O no hydrogen 2.923 N/A ASN 305.A N ALA 316.A O no hydrogen 3.424 N/A HIS 306.A N ARG 253.A O no hydrogen 2.882 N/A HIS 306.A ND1 HIS 306.A O no hydrogen 2.506 N/A ALA 311.A N ASN 307.A O no hydrogen 3.128 N/A PHE 312.A N LEU 308.A O no hydrogen 2.940 N/A LEU 314.A N GLU 310.A O no hydrogen 2.905 N/A GLY 315.A N GLU 310.A O no hydrogen 3.224 N/A GLY 318.A N TYR 303.A O no hydrogen 2.886 N/A HIS 319.A N LEU 227.A O no hydrogen 2.800 N/A PHE 320.A N TYR 301.A O no hydrogen 2.882 N/A LYS 321.A N LEU 233.A O no hydrogen 2.855 N/A LYS 321.A NZ GLY 229.A O no hydrogen 3.213 N/A VAL 322.A N GLY 299.A O no hydrogen 2.928 N/A THR 323.A N ALA 235.A O no hydrogen 2.932 N/A GLU 325.A N GLU 325.A OE2 no hydrogen 2.642 N/A TRP 326.A NE1 MET 331.A O no hydrogen 2.917 N/A ASP 329.A N ASN 327.A OD1 no hydrogen 3.288 N/A LEU 330.A N ASN 327.A O no hydrogen 3.228 N/A SER 339.A OG SER 339.A O no hydrogen 2.490 N/A