Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wia_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N THR 43.A O no hydrogen 2.890 N/A ILE 5.A N HIS 45.A O no hydrogen 2.984 N/A MET 7.A N THR 47.A O no hydrogen 2.908 N/A THR 8.A N ASN 28.A OD1 no hydrogen 2.777 N/A THR 8.A OG1 GLN 10.A OE1 no hydrogen 2.562 N/A THR 8.A OG1 ASN 28.A OD1 no hydrogen 3.066 N/A ALA 9.A N LYS 49.A O no hydrogen 2.919 N/A GLN 10.A N THR 26.A O no hydrogen 2.965 N/A THR 12.A N ALA 24.A O no hydrogen 2.876 N/A THR 12.A OG1 THR 26.A OG1 no hydrogen 3.022 N/A ILE 14.A N TYR 22.A O no hydrogen 2.874 N/A ILE 16.A N LYS 20.A O no hydrogen 3.000 N/A LYS 18.A NZ GLU 179.A OE2 no hydrogen 3.547 N/A GLY 19.A N GLU 15.A OE2 no hydrogen 2.777 N/A LYS 20.A N ASP 17.A O no hydrogen 2.832 N/A TYR 22.A N ILE 14.A O no hydrogen 2.833 N/A TYR 22.A OH ASN 108.A OD1 no hydrogen 2.529 N/A ALA 24.A N THR 12.A O no hydrogen 2.920 N/A TRP 25.A N ASN 108.A O no hydrogen 2.889 N/A THR 26.A N GLN 10.A O no hydrogen 2.876 N/A THR 26.A OG1 GLN 10.A O no hydrogen 2.945 N/A THR 26.A OG1 THR 12.A OG1 no hydrogen 3.022 N/A ASN 28.A N THR 8.A O no hydrogen 2.808 N/A GLN 30.A N PHE 27.A O no hydrogen 3.300 N/A ALA 31.A N ASN 171.A OD1 no hydrogen 3.038 N/A GLY 33.A N HIS 111.A O no hydrogen 2.714 N/A VAL 36.A N VAL 113.A O no hydrogen 3.199 N/A VAL 38.A N ILE 115.A O no hydrogen 2.885 N/A ASN 39.A N ASP 42.A OD1 no hydrogen 2.870 N/A GLU 40.A N LYS 117.A O no hydrogen 2.867 N/A GLY 41.A N ALA 87.A O no hydrogen 2.688 N/A ASP 42.A N ASN 39.A O no hydrogen 2.964 N/A THR 43.A N HIS 1.A O no hydrogen 2.816 N/A ILE 44.A N TYR 85.A O no hydrogen 2.801 N/A HIS 45.A N VAL 3.A O no hydrogen 2.740 N/A HIS 45.A NE2 ASP 2.A OD1 no hydrogen 2.809 N/A PHE 46.A N PHE 83.A O no hydrogen 2.745 N/A THR 47.A N ILE 5.A O no hydrogen 2.861 N/A THR 47.A OG1 THR 82.A OG1 no hydrogen 2.575 N/A LEU 48.A N GLY 81.A O no hydrogen 2.816 N/A LYS 49.A N MET 7.A O no hydrogen 2.826 N/A ASN 50.A N LYS 79.A O no hydrogen 2.926 N/A ASN 50.A ND2 VAL 55.A O no hydrogen 3.023 N/A ASN 50.A ND2 VAL 75.A O no hydrogen 2.997 N/A MET 51.A N ALA 9.A O no hydrogen 2.758 N/A ASP 52.A N ASN 50.A OD1 no hydrogen 2.897 N/A VAL 54.A N ASP 52.A OD1 no hydrogen 2.881 N/A HIS 57.A N VAL 75.A O no hydrogen 3.214 N/A HIS 57.A NE2 ASP 52.A OD2 no hydrogen 2.911 N/A SER 58.A OG THR 99.A OG1 no hydrogen 2.753 N/A ASP 60.A N HIS 96.A O no hydrogen 2.871 N/A HIS 62.A N MET 94.A O no hydrogen 2.858 N/A VAL 64.A N PHE 61.A O no hydrogen 3.293 N/A HIS 65.A N PRO 86.A O no hydrogen 3.349 N/A SER 67.A N ASP 71.A OD2 no hydrogen 2.782 N/A LYS 70.A N SER 67.A O no hydrogen 3.107 N/A ASP 71.A N SER 67.A O no hydrogen 2.646 N/A PHE 72.A N PRO 68.A O no hydrogen 3.084 N/A VAL 75.A N HIS 57.A O no hydrogen 2.721 N/A ASN 78.A N ASN 50.A O no hydrogen 2.919 N/A LYS 79.A N MET 76.A O no hydrogen 3.043 N/A GLY 81.A N LEU 48.A O no hydrogen 2.928 N/A THR 82.A OG1 THR 47.A OG1 no hydrogen 2.575 N/A PHE 83.A N PHE 46.A O no hydrogen 2.829 N/A THR 84.A OG1 HIS 45.A ND1 no hydrogen 3.423 N/A TYR 85.A N ILE 44.A O no hydrogen 3.038 N/A ALA 87.A N ASP 42.A O no hydrogen 2.884 N/A GLY 91.A N VAL 116.A O no hydrogen 2.897 N/A VAL 92.A N ASP 218.A O no hydrogen 2.909 N/A PHE 93.A N ILE 114.A O no hydrogen 2.863 N/A TYR 95.A N GLY 112.A O no hydrogen 2.832 N/A TYR 95.A OH PRO 34.A O no hydrogen 2.601 N/A HIS 96.A N ASP 60.A O no hydrogen 2.932 N/A HIS 96.A ND1 CYS 97.A O no hydrogen 2.822 N/A CYS 97.A N MET 110.A O no hydrogen 3.039 N/A CYS 97.A SG HIS 57.A ND1 no hydrogen 3.874 N/A CYS 97.A SG SER 58.A O no hydrogen 3.721 N/A CYS 97.A SG SER 58.A OG no hydrogen 3.772 N/A CYS 97.A SG THR 99.A OG1 no hydrogen 3.428 N/A CYS 97.A SG HIS 105.A ND1 no hydrogen 3.354 N/A GLY 98.A N SER 58.A OG no hydrogen 2.878 N/A THR 99.A OG1 SER 58.A OG no hydrogen 2.753 N/A THR 99.A OG1 ASP 74.A OD2 no hydrogen 2.715 N/A GLN 104.A NE2 ASN 143.A OD1 no hydrogen 2.797 N/A HIS 105.A N PRO 101.A O no hydrogen 3.270 N/A ILE 106.A N VAL 102.A O no hydrogen 2.874 N/A ALA 107.A N LEU 103.A O no hydrogen 2.823 N/A ASN 108.A N GLN 104.A O no hydrogen 3.026 N/A ASN 108.A ND2 ASN 143.A OD1 no hydrogen 2.882 N/A GLY 109.A N ILE 106.A O no hydrogen 2.850 N/A MET 110.A N HIS 105.A O no hydrogen 3.058 N/A HIS 111.A N GLY 109.A O no hydrogen 2.986 N/A GLY 112.A N TYR 95.A O no hydrogen 2.907 N/A ILE 114.A N PHE 93.A O no hydrogen 2.818 N/A ILE 115.A N VAL 36.A O no hydrogen 2.806 N/A VAL 116.A N GLY 91.A O no hydrogen 2.859 N/A LYS 117.A N VAL 38.A O no hydrogen 2.849 N/A LYS 119.A N GLU 40.A OE1 no hydrogen 2.868 N/A GLY 121.A N PRO 118.A O no hydrogen 3.065 N/A TYR 122.A N ASP 125.A OD1 no hydrogen 2.897 N/A TYR 122.A N ASP 125.A OD2 no hydrogen 3.243 N/A TYR 122.A OH GLY 219.A O no hydrogen 2.649 N/A THR 124.A OG1 TYR 216.A OH no hydrogen 2.629 N/A THR 124.A OG1 GLU 242.A OE1 no hydrogen 2.719 N/A THR 124.A OG1 GLU 242.A OE2 no hydrogen 3.288 N/A ASP 125.A N TYR 122.A O no hydrogen 3.067 N/A GLU 127.A N THR 124.A O no hydrogen 2.938 N/A VAL 128.A N ASP 125.A O no hydrogen 3.129 N/A ASP 129.A N LYS 189.A O no hydrogen 2.837 N/A ARG 130.A N LYS 189.A O no hydrogen 3.356 N/A ARG 130.A NE GLU 188.A OE1 no hydrogen 3.381 N/A ARG 130.A NE GLU 188.A OE2 no hydrogen 2.716 N/A ARG 130.A NH1 GLU 188.A OE1 no hydrogen 2.766 N/A ARG 130.A NH1 GLU 188.A OE2 no hydrogen 3.484 N/A TYR 132.A N ARG 191.A O no hydrogen 3.018 N/A TYR 132.A OH LEU 183.A O no hydrogen 2.559 N/A LEU 134.A N TYR 193.A O no hydrogen 2.886 N/A ILE 135.A N SER 159.A O no hydrogen 2.891 N/A GLN 136.A N ASN 195.A O no hydrogen 2.960 N/A ASN 137.A N VAL 157.A O no hydrogen 3.062 N/A ASN 137.A ND2 GLU 138.A O no hydrogen 2.967 N/A GLU 138.A N GLY 198.A O no hydrogen 2.851 N/A TRP 139.A N TYR 155.A O no hydrogen 2.921 N/A TRP 139.A NE1 GLY 172.A O no hydrogen 2.936 N/A TYR 140.A OH GLU 138.A OE2 no hydrogen 2.620 N/A LYS 141.A N ASP 147.A OD2 no hydrogen 2.910 N/A ASN 143.A N TYR 22.A OH no hydrogen 3.249 N/A ASP 144.A N LYS 141.A O no hydrogen 3.270 N/A ASP 147.A N ASP 144.A OD1 no hydrogen 3.010 N/A PHE 148.A N ASP 144.A O no hydrogen 2.885 N/A GLN 149.A N MET 145.A O no hydrogen 3.056 N/A ASN 150.A N ASN 146.A O no hydrogen 2.882 N/A ASN 150.A ND2 ASN 146.A O no hydrogen 3.667 N/A ASN 150.A ND2 ASN 146.A OD1 no hydrogen 3.009 N/A GLY 151.A N ASP 147.A O no hydrogen 2.812 N/A SER 154.A N TRP 139.A O no hydrogen 2.853 N/A TYR 155.A N TRP 139.A O no hydrogen 3.099 N/A VAL 156.A N LYS 263.A O no hydrogen 3.029 N/A VAL 157.A N ASN 137.A O no hydrogen 2.889 N/A SER 159.A N ILE 135.A O no hydrogen 2.947 N/A SER 160.A N THR 170.A OG1 no hydrogen 2.977 N/A SER 160.A OG VAL 133.A O no hydrogen 2.887 N/A LYS 161.A N VAL 133.A O no hydrogen 3.329 N/A LYS 161.A NZ GLN 30.A OE1 no hydrogen 2.886 N/A LYS 161.A NZ PRO 32.A O no hydrogen 2.596 N/A LYS 161.A NZ THR 170.A O no hydrogen 2.825 N/A ALA 162.A N ASN 169.A OD1 no hydrogen 2.934 N/A LEU 163.A N ASP 167.A OD2 no hydrogen 3.042 N/A LYS 164.A N ASP 167.A OD2 no hydrogen 3.047 N/A ASP 167.A N LYS 164.A O no hydrogen 2.982 N/A ASN 169.A ND2 GLN 30.A OE1 no hydrogen 2.942 N/A THR 170.A N SER 160.A O no hydrogen 2.880 N/A THR 170.A OG1 SER 160.A O no hydrogen 3.534 N/A GLY 172.A N ALA 31.A O no hydrogen 2.786 N/A THR 174.A N ILE 16.A O no hydrogen 2.960 N/A THR 174.A OG1 ASP 17.A OD2 no hydrogen 2.555 N/A PHE 175.A N ASP 173.A OD1 no hydrogen 2.942 N/A THR 176.A N ASP 173.A OD1 no hydrogen 2.715 N/A THR 176.A OG1 ASP 173.A OD1 no hydrogen 3.379 N/A THR 176.A OG1 ASP 173.A OD2 no hydrogen 2.663 N/A LYS 178.A N PHE 175.A O no hydrogen 2.931 N/A LYS 178.A NZ THR 174.A O no hydrogen 2.707 N/A LYS 178.A NZ GLY 264.A O no hydrogen 3.092 N/A LYS 178.A NZ VAL 266.A O no hydrogen 2.909 N/A GLU 179.A N PHE 175.A O no hydrogen 2.876 N/A LYS 180.A N THR 176.A O no hydrogen 2.772 N/A LEU 182.A N MET 268.A O no hydrogen 2.917 N/A LEU 183.A N TYR 132.A OH no hydrogen 3.289 N/A ALA 184.A N LYS 270.A O no hydrogen 2.983 N/A LYS 185.A N GLU 188.A OE2 no hydrogen 2.858 N/A VAL 186.A N THR 272.A O no hydrogen 2.972 N/A GLY 187.A N VAL 245.A O no hydrogen 2.673 N/A GLU 188.A N LYS 185.A O no hydrogen 3.159 N/A LYS 189.A N ASP 129.A OD1 no hydrogen 2.811 N/A LYS 189.A NZ GLU 127.A OE1 no hydrogen 2.813 N/A ILE 190.A N PHE 243.A O no hydrogen 2.774 N/A ARG 191.A N ARG 130.A O no hydrogen 2.876 N/A ARG 191.A NE GLU 242.A OE2 no hydrogen 2.763 N/A ARG 191.A NH1 ASP 125.A OD2 no hydrogen 3.338 N/A ARG 191.A NH1 TYR 193.A OH no hydrogen 3.175 N/A ARG 191.A NH2 ASP 125.A OD2 no hydrogen 2.812 N/A ARG 191.A NH2 GLU 242.A OE2 no hydrogen 2.774 N/A LEU 192.A N VAL 241.A O no hydrogen 2.770 N/A TYR 193.A N TYR 132.A O no hydrogen 2.993 N/A TYR 193.A OH GLU 131.A OE1 no hydrogen 3.158 N/A ILE 194.A N ALA 239.A O no hydrogen 2.877 N/A ASN 195.A N LEU 134.A O no hydrogen 3.228 N/A ASN 196.A N GLY 237.A O no hydrogen 2.895 N/A ASN 196.A ND2 GLU 201.A O no hydrogen 2.789 N/A ASN 196.A ND2 LEU 233.A O no hydrogen 3.639 N/A ASN 196.A ND2 PRO 234.A O no hydrogen 3.201 N/A VAL 197.A N GLN 136.A O no hydrogen 2.914 N/A GLY 198.A N ASN 196.A OD1 no hydrogen 3.135 N/A ASN 200.A N GLU 138.A OE1 no hydrogen 3.348 N/A ASN 200.A N GLU 138.A OE2 no hydrogen 2.876 N/A ASN 200.A ND2 TYR 140.A OH no hydrogen 2.929 N/A ASN 200.A ND2 PHE 148.A O no hydrogen 2.859 N/A GLU 201.A N GLU 138.A OE1 no hydrogen 2.771 N/A SER 203.A N LEU 233.A O no hydrogen 2.874 N/A SER 203.A OG GLN 136.A OE1 no hydrogen 2.614 N/A SER 204.A N THR 255.A OG1 no hydrogen 3.104 N/A SER 204.A OG GLN 257.A OE1 no hydrogen 2.671 N/A PHE 205.A N VAL 231.A O no hydrogen 2.833 N/A HIS 206.A N VAL 254.A O no hydrogen 3.001 N/A HIS 206.A ND1 GLN 229.A O no hydrogen 2.637 N/A VAL 208.A N PRO 252.A O no hydrogen 2.855 N/A THR 210.A OG1 VAL 211.A O no hydrogen 3.413 N/A THR 210.A OG1 THR 244.A O no hydrogen 2.705 N/A PHE 212.A N MET 228.A O no hydrogen 2.759 N/A VAL 215.A N LEU 225.A O no hydrogen 2.899 N/A TYR 216.A N VAL 240.A O no hydrogen 2.785 N/A TYR 216.A OH THR 124.A OG1 no hydrogen 2.629 N/A LEU 217.A N ASN 223.A O no hydrogen 2.970 N/A ASP 218.A N GLY 238.A O no hydrogen 2.768 N/A GLY 219.A N TYR 216.A O no hydrogen 2.899 N/A ASN 220.A N LEU 217.A O no hydrogen 3.158 N/A ASN 222.A N ASN 220.A OD1 no hydrogen 2.909 N/A ASN 222.A ND2 ASN 220.A OD1 no hydrogen 2.948 N/A ASN 223.A N ASN 220.A O no hydrogen 2.981 N/A ASN 223.A ND2 LEU 217.A O no hydrogen 3.116 N/A HIS 224.A NE2 ASP 214.A OD2 no hydrogen 2.580 N/A LEU 225.A N VAL 215.A O no hydrogen 2.788 N/A GLY 227.A N ASP 213.A O no hydrogen 3.248 N/A THR 230.A OG1 HIS 206.A ND1 no hydrogen 3.389 N/A VAL 231.A N PHE 205.A O no hydrogen 2.834 N/A LEU 233.A N SER 203.A O no hydrogen 2.790 N/A SER 236.A N ASN 196.A O no hydrogen 2.645 N/A SER 236.A OG ALA 235.A O no hydrogen 2.585 N/A GLY 237.A N PRO 234.A O no hydrogen 2.848 N/A GLY 238.A N ASP 218.A OD1 no hydrogen 2.896 N/A ALA 239.A N ILE 194.A O no hydrogen 2.910 N/A VAL 240.A N TYR 216.A O no hydrogen 3.000 N/A VAL 241.A N LEU 192.A O no hydrogen 2.963 N/A GLU 242.A N ASP 214.A O no hydrogen 3.037 N/A PHE 243.A N ILE 190.A O no hydrogen 3.008 N/A THR 244.A OG1 ASP 213.A OD2 no hydrogen 3.096 N/A VAL 245.A N GLU 188.A O no hydrogen 3.119 N/A ARG 247.A N TYR 251.A OH no hydrogen 3.171 N/A GLY 249.A N VAL 271.A O no hydrogen 2.909 N/A TYR 251.A N LEU 269.A O no hydrogen 2.772 N/A TYR 251.A OH ARG 247.A O no hydrogen 2.588 N/A ILE 253.A N ALA 267.A O no hydrogen 2.638 N/A VAL 254.A N HIS 206.A O no hydrogen 2.884 N/A HIS 256.A N SER 204.A O no hydrogen 2.700 N/A GLN 257.A N THR 255.A OG1 no hydrogen 3.412 N/A GLN 257.A NE2 VAL 202.A O no hydrogen 3.227 N/A HIS 260.A N GLN 257.A O no hydrogen 2.982 N/A ALA 261.A N GLN 257.A O no hydrogen 3.292 N/A GLN 262.A N PHE 258.A O no hydrogen 2.790 N/A LYS 263.A N ASN 259.A O no hydrogen 3.200 N/A LYS 263.A N HIS 260.A O no hydrogen 2.978 N/A LYS 263.A NZ PRO 153.A O no hydrogen 2.827 N/A GLY 264.A N ALA 261.A O no hydrogen 3.065 N/A ALA 265.A N HIS 260.A O no hydrogen 3.135 N/A VAL 266.A N GLY 264.A O no hydrogen 2.816 N/A ALA 267.A N ILE 253.A O no hydrogen 2.806 N/A MET 268.A N LEU 177.A O no hydrogen 2.933 N/A LEU 269.A N TYR 251.A O no hydrogen 2.961 N/A LYS 270.A N LEU 182.A O no hydrogen 2.735 N/A VAL 271.A N GLY 249.A O no hydrogen 2.745 N/A THR 272.A N ALA 184.A O no hydrogen 3.040 N/A