Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wj3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N THR 1.A O no hydrogen 3.277 N/A TYR 4.A OH ASP 50.A OD2 no hydrogen 2.495 N/A LEU 5.A N ASP 2.A O no hydrogen 2.829 N/A HIS 6.A N TYR 17.A O no hydrogen 2.815 N/A THR 8.A N LEU 15.A O no hydrogen 2.896 N/A THR 8.A OG1 GLN 88.A OE1 no hydrogen 2.733 N/A VAL 10.A N ASN 13.A O no hydrogen 2.632 N/A ASN 13.A N VAL 10.A O no hydrogen 2.827 N/A LEU 15.A N THR 8.A O no hydrogen 2.792 N/A TYR 17.A N HIS 6.A O no hydrogen 2.992 N/A ILE 18.A N VAL 57.A O no hydrogen 2.948 N/A ASP 19.A N TYR 4.A O no hydrogen 3.080 N/A ASN 20.A N VAL 55.A O no hydrogen 3.319 N/A ASN 20.A ND2 ASP 50.A OD1 no hydrogen 2.780 N/A ASN 20.A ND2 PHE 53.A O no hydrogen 3.035 N/A GLN 21.A N ASP 19.A OD1 no hydrogen 2.694 N/A ARG 22.A N ASN 20.A OD1 no hydrogen 3.394 N/A ARG 22.A NE ASP 50.A O no hydrogen 3.016 N/A ARG 22.A NE ALA 51.A O no hydrogen 3.253 N/A ARG 22.A NH1 ASP 50.A O no hydrogen 3.463 N/A ARG 22.A NH1 ASP 50.A OD1 no hydrogen 3.006 N/A ALA 28.A N THR 93.A O no hydrogen 3.025 N/A ILE 29.A N ARG 54.A O no hydrogen 3.002 N/A LEU 30.A N LEU 95.A O no hydrogen 2.910 N/A LEU 31.A N ILE 56.A O no hydrogen 2.866 N/A LEU 32.A N VAL 97.A O no hydrogen 2.716 N/A GLY 34.A N HIS 37.A NE2 no hydrogen 2.905 N/A CYS 36.A N HIS 63.A NE2 no hydrogen 3.015 N/A HIS 37.A ND1 HIS 171.A NE2 no hydrogen 2.817 N/A HIS 39.A N ASN 59.A OD1 no hydrogen 2.962 N/A ARG 40.A N ASP 38.A OD1 no hydrogen 3.158 N/A ARG 40.A NE ASP 38.A OD1 no hydrogen 2.877 N/A ARG 40.A NH1 ASP 38.A OD2 no hydrogen 2.885 N/A VAL 41.A N ASP 38.A O no hydrogen 3.166 N/A TYR 42.A N HIS 39.A O no hydrogen 3.024 N/A TYR 42.A OH LEU 32.A O no hydrogen 2.747 N/A LYS 43.A N ARG 40.A O no hydrogen 3.214 N/A LYS 43.A NZ GLU 175.A OE2 no hydrogen 2.872 N/A ILE 46.A N TYR 42.A O no hydrogen 2.835 N/A GLN 47.A N LYS 43.A O no hydrogen 3.389 N/A GLU 48.A N TYR 44.A O no hydrogen 3.155 N/A LEU 49.A N LEU 45.A O no hydrogen 3.189 N/A LEU 49.A N ILE 46.A O no hydrogen 3.125 N/A ASP 50.A N GLN 47.A O no hydrogen 3.462 N/A ASP 52.A N LEU 49.A O no hydrogen 3.195 N/A PHE 53.A N LEU 49.A O no hydrogen 3.303 N/A ARG 54.A NE ASP 19.A OD1 no hydrogen 3.143 N/A ARG 54.A NH2 ASP 19.A OD1 no hydrogen 3.551 N/A ARG 54.A NH2 ASP 19.A OD2 no hydrogen 2.750 N/A VAL 55.A N ASN 20.A OD1 no hydrogen 2.868 N/A ILE 56.A N ILE 29.A O no hydrogen 2.967 N/A VAL 57.A N ILE 18.A O no hydrogen 2.920 N/A ASN 59.A N SER 16.A O no hydrogen 2.990 N/A ASN 59.A ND2 SER 16.A OG no hydrogen 2.917 N/A ASN 59.A ND2 HIS 39.A ND1 no hydrogen 3.069 N/A TRP 60.A NE1 PRO 33.A O no hydrogen 2.826 N/A ARG 61.A NE ASP 81.A OD2 no hydrogen 2.819 N/A ARG 61.A NH1 ASP 81.A OD1 no hydrogen 3.158 N/A HIS 63.A N TRP 60.A O no hydrogen 2.974 N/A HIS 63.A ND1 ARG 61.A O no hydrogen 2.952 N/A GLY 64.A N TYR 179.A OH no hydrogen 3.071 N/A SER 68.A N GLY 62.A O no hydrogen 3.129 N/A VAL 70.A N ASP 182.A OD2 no hydrogen 3.281 N/A GLY 74.A N GLU 77.A OE1 no hydrogen 2.921 N/A GLN 76.A N GLN 76.A OE1 no hydrogen 2.932 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.879 N/A GLN 78.A N GLY 74.A O no hydrogen 3.152 N/A VAL 79.A N TYR 75.A O no hydrogen 2.885 N/A LYS 80.A N GLN 76.A O no hydrogen 3.170 N/A ASP 81.A N GLU 77.A O no hydrogen 2.847 N/A ALA 82.A N GLN 78.A O no hydrogen 2.966 N/A LEU 83.A N VAL 79.A O no hydrogen 3.029 N/A GLU 84.A N LYS 80.A O no hydrogen 2.951 N/A ILE 85.A N ASP 81.A O no hydrogen 2.939 N/A LEU 86.A N ALA 82.A O no hydrogen 3.038 N/A ASP 87.A N LEU 83.A O no hydrogen 2.813 N/A GLN 88.A N GLU 84.A O no hydrogen 3.137 N/A GLN 88.A NE2 LEU 9.A O no hydrogen 3.085 N/A GLN 88.A NE2 GLU 84.A OE2 no hydrogen 3.082 N/A LEU 89.A N ILE 85.A O no hydrogen 3.077 N/A GLY 90.A N ASP 87.A O no hydrogen 2.653 N/A VAL 91.A N LEU 86.A O no hydrogen 2.904 N/A THR 93.A OG1 GLU 116.A O no hydrogen 3.454 N/A THR 93.A OG1 ARG 117.A O no hydrogen 3.158 N/A PHE 94.A N ARG 117.A O no hydrogen 2.866 N/A LEU 95.A N ALA 28.A O no hydrogen 2.674 N/A VAL 97.A N LEU 30.A O no hydrogen 2.827 N/A SER 98.A N ILE 122.A O no hydrogen 3.021 N/A HIS 99.A N LEU 32.A O no hydrogen 3.093 N/A SER 100.A N MET 124.A O no hydrogen 2.937 N/A GLY 102.A N HIS 99.A O no hydrogen 2.903 N/A GLY 103.A N SER 100.A O no hydrogen 2.975 N/A TRP 104.A N HIS 101.A O no hydrogen 3.481 N/A TRP 104.A NE1 HIS 101.A ND1 no hydrogen 3.125 N/A LEU 106.A N GLY 102.A O no hydrogen 3.058 N/A VAL 107.A N GLY 103.A O no hydrogen 2.907 N/A GLU 108.A N TRP 104.A O no hydrogen 3.279 N/A LEU 109.A N VAL 105.A O no hydrogen 2.822 N/A LEU 110.A N LEU 106.A O no hydrogen 2.899 N/A GLU 111.A N VAL 107.A O no hydrogen 3.141 N/A GLN 112.A N GLU 108.A O no hydrogen 2.933 N/A GLN 112.A NE2 GLU 108.A OE2 no hydrogen 3.519 N/A ALA 113.A N LEU 109.A O no hydrogen 2.812 N/A GLY 114.A N LEU 110.A O no hydrogen 2.770 N/A ARG 117.A NE GLU 92.A O no hydrogen 2.649 N/A ARG 117.A NH2 VAL 91.A O no hydrogen 2.650 N/A ALA 118.A N GLY 114.A O no hydrogen 2.839 N/A GLY 121.A N PRO 213.A O no hydrogen 3.180 N/A ILE 122.A N PRO 96.A O no hydrogen 3.050 N/A ILE 123.A N ARG 215.A O no hydrogen 2.935 N/A MET 124.A N SER 98.A O no hydrogen 2.882 N/A ASP 125.A N ILE 217.A O no hydrogen 2.921 N/A TRP 126.A N HIS 216.A NE2 no hydrogen 3.245 N/A TRP 126.A NE1 HIS 101.A ND1 no hydrogen 3.098 N/A MET 128.A N TYR 226.A OH no hydrogen 2.992 N/A ALA 136.A N LYS 132.A O no hydrogen 2.947 N/A LYS 137.A N PRO 133.A O no hydrogen 2.831 N/A SER 138.A N ASP 134.A O no hydrogen 3.049 N/A SER 138.A OG ASP 134.A O no hydrogen 3.005 N/A LEU 139.A N PHE 135.A O no hydrogen 2.929 N/A THR 140.A N ALA 136.A O no hydrogen 3.019 N/A THR 140.A OG1 ALA 136.A O no hydrogen 3.109 N/A LEU 141.A N LYS 137.A O no hydrogen 2.922 N/A LEU 142.A N SER 138.A O no hydrogen 2.926 N/A LYS 143.A N LEU 139.A O no hydrogen 3.109 N/A LYS 143.A NZ GLU 192.A OE1 no hydrogen 2.527 N/A LYS 143.A NZ GLU 192.A OE2 no hydrogen 2.552 N/A ASP 144.A N LEU 141.A O no hydrogen 3.293 N/A GLU 146.A N ASP 144.A OD1 no hydrogen 2.755 N/A ARG 147.A N ASP 144.A O no hydrogen 2.959 N/A ARG 147.A NE GLU 150.A OE1 no hydrogen 2.919 N/A ARG 147.A NH1 GLU 150.A OE1 no hydrogen 3.320 N/A ARG 147.A NH1 GLU 150.A OE2 no hydrogen 2.919 N/A GLY 151.A N ARG 147.A O no hydrogen 2.917 N/A THR 152.A N TRP 148.A O no hydrogen 2.927 N/A THR 152.A OG1 ARG 149.A O no hydrogen 2.776 N/A HIS 153.A N ARG 149.A O no hydrogen 3.010 N/A GLY 154.A N GLU 150.A O no hydrogen 3.166 N/A LEU 155.A N GLY 151.A O no hydrogen 3.287 N/A PHE 156.A N THR 152.A O no hydrogen 2.849 N/A ASP 157.A N HIS 153.A O no hydrogen 3.056 N/A VAL 158.A N GLY 154.A O no hydrogen 3.149 N/A TRP 159.A N LEU 155.A O no hydrogen 2.831 N/A LEU 160.A N PHE 156.A O no hydrogen 2.976 N/A ASP 161.A N ASP 157.A O no hydrogen 3.065 N/A HIS 163.A N LEU 160.A O no hydrogen 2.953 N/A ARG 169.A N GLU 165.A O no hydrogen 2.922 N/A HIS 170.A N LYS 166.A O no hydrogen 3.058 N/A HIS 171.A N ARG 167.A O no hydrogen 3.021 N/A HIS 171.A ND1 GLU 175.A OE1 no hydrogen 2.858 N/A HIS 171.A NE2 HIS 37.A ND1 no hydrogen 2.817 N/A LEU 172.A N VAL 168.A O no hydrogen 2.980 N/A LEU 173.A N ARG 169.A O no hydrogen 2.819 N/A GLU 174.A N HIS 170.A O no hydrogen 3.015 N/A GLU 175.A N HIS 170.A O no hydrogen 3.236 N/A ALA 177.A N GLU 174.A O no hydrogen 3.260 N/A TYR 179.A N MET 176.A O no hydrogen 3.082 N/A TYR 179.A OH ASP 38.A OD2 no hydrogen 2.455 N/A TYR 181.A OH LYS 143.A O no hydrogen 2.640 N/A CYS 183.A N GLY 180.A O no hydrogen 3.063 N/A CYS 183.A SG HIS 63.A NE2 no hydrogen 3.383 N/A TRP 184.A N GLY 180.A O no hydrogen 3.092 N/A GLY 185.A N TYR 181.A O no hydrogen 2.884 N/A ARG 186.A NE ASP 72.A OD1 no hydrogen 3.076 N/A ARG 186.A NH1 VAL 70.A O no hydrogen 3.073 N/A ARG 186.A NH1 ASP 182.A OD1 no hydrogen 3.101 N/A ARG 186.A NH1 ASP 182.A OD2 no hydrogen 3.392 N/A ARG 186.A NH2 ASP 182.A OD2 no hydrogen 2.983 N/A SER 187.A N CYS 183.A O no hydrogen 2.849 N/A SER 187.A OG TRP 184.A O no hydrogen 2.664 N/A GLY 188.A N TRP 184.A O no hydrogen 3.053 N/A ARG 189.A N GLY 185.A O no hydrogen 3.084 N/A ARG 189.A NH2 ASP 72.A OD1 no hydrogen 3.122 N/A VAL 190.A N ARG 186.A O no hydrogen 2.722 N/A ILE 191.A N SER 187.A O no hydrogen 2.953 N/A GLU 192.A N GLY 188.A O no hydrogen 3.153 N/A ASP 193.A N ARG 189.A O no hydrogen 2.807 N/A ALA 194.A N VAL 190.A O no hydrogen 2.777 N/A TYR 195.A N ILE 191.A O no hydrogen 2.969 N/A TYR 195.A OH LEU 127.A O no hydrogen 2.877 N/A GLY 196.A N GLU 192.A O no hydrogen 3.137 N/A ARG 197.A N ASP 193.A O no hydrogen 2.872 N/A ARG 197.A NH1 ASP 193.A OD2 no hydrogen 3.374 N/A ASN 198.A N ALA 194.A O no hydrogen 2.916 N/A GLY 199.A N TYR 195.A O no hydrogen 2.614 N/A GLN 203.A N SER 200.A OG no hydrogen 3.052 N/A MET 204.A N SER 200.A O no hydrogen 2.951 N/A MET 205.A N PRO 201.A O no hydrogen 2.916 N/A ALA 206.A N MET 202.A O no hydrogen 2.923 N/A ASN 207.A N GLN 203.A O no hydrogen 3.076 N/A ASN 207.A ND2 GLN 203.A O no hydrogen 2.788 N/A LEU 208.A N MET 205.A O no hydrogen 3.190 N/A THR 209.A N GLU 111.A OE1 no hydrogen 3.186 N/A THR 209.A OG1 GLU 111.A OE1 no hydrogen 3.478 N/A THR 209.A OG1 GLU 111.A OE2 no hydrogen 2.728 N/A ARG 212.A NE LYS 210.A O no hydrogen 2.892 N/A ARG 212.A NH1 LEU 110.A O no hydrogen 2.710 N/A ARG 212.A NH1 ALA 118.A O no hydrogen 2.848 N/A ARG 212.A NH2 LEU 110.A O no hydrogen 3.156 N/A ARG 212.A NH2 LYS 210.A O no hydrogen 2.918 N/A ILE 214.A N TRP 239.A O no hydrogen 2.853 N/A ARG 215.A N GLY 121.A O no hydrogen 3.234 N/A ARG 215.A NE SER 241.A OG no hydrogen 2.707 N/A ARG 215.A NH1 HIS 263.A ND1 no hydrogen 3.015 N/A ARG 215.A NH1 GLU 266.A OE1 no hydrogen 2.850 N/A ARG 215.A NH2 GLU 266.A OE2 no hydrogen 3.199 N/A HIS 216.A N SER 241.A O no hydrogen 2.859 N/A HIS 216.A ND1 ASN 230.A OD1 no hydrogen 2.819 N/A ILE 217.A N ILE 123.A O no hydrogen 2.860 N/A PHE 218.A N ALA 243.A O no hydrogen 3.065 N/A SER 219.A N ASP 125.A OD2 no hydrogen 2.927 N/A GLN 220.A N ASP 125.A OD2 no hydrogen 3.114 N/A GLN 220.A NE2 VAL 158.A O no hydrogen 3.519 N/A GLN 220.A NE2 TRP 159.A O no hydrogen 3.460 N/A THR 222.A N GLU 223.A OE2 no hydrogen 3.256 N/A THR 222.A OG1 GLU 223.A OE2 no hydrogen 3.469 N/A TYR 226.A N GLU 223.A O no hydrogen 2.986 N/A GLU 227.A N GLU 223.A O no hydrogen 3.350 N/A LYS 228.A N PRO 224.A O no hydrogen 3.066 N/A ILE 229.A N GLU 225.A O no hydrogen 3.341 N/A ASN 230.A N TYR 226.A O no hydrogen 3.240 N/A ASN 230.A ND2 TYR 226.A O no hydrogen 3.240 N/A SER 231.A N GLU 227.A O no hydrogen 2.672 N/A SER 231.A OG GLU 227.A O no hydrogen 3.444 N/A SER 231.A OG LYS 228.A O no hydrogen 3.120 N/A ASP 232.A N LYS 228.A O no hydrogen 2.863 N/A PHE 233.A N ILE 229.A O no hydrogen 2.982 N/A ALA 234.A N ASN 230.A O no hydrogen 3.070 N/A GLU 235.A N SER 231.A O no hydrogen 2.910 N/A GLN 236.A N ASP 232.A O no hydrogen 3.105 N/A PHE 240.A N HIS 237.A O no hydrogen 3.028 N/A SER 241.A N ILE 214.A O no hydrogen 3.079 N/A TYR 242.A OH GLU 227.A OE2 no hydrogen 2.643 N/A ALA 243.A N HIS 216.A O no hydrogen 3.008 N/A LYS 244.A NZ THR 222.A O no hydrogen 3.101 N/A LEU 245.A N PHE 218.A O no hydrogen 2.707 N/A GLY 247.A N SER 219.A OG no hydrogen 2.838 N/A THR 249.A N ASP 255.A OD2 no hydrogen 2.842 N/A THR 249.A OG1 ASP 255.A OD2 no hydrogen 2.528 N/A HIS 250.A N TRP 159.A O no hydrogen 3.095 N/A HIS 250.A ND1 ASP 125.A OD1 no hydrogen 2.721 N/A PHE 251.A N THR 249.A OG1 no hydrogen 3.046 N/A ILE 254.A N PHE 251.A O no hydrogen 3.048 N/A ASP 255.A N PHE 251.A O no hydrogen 2.891 N/A VAL 256.A N PRO 252.A O no hydrogen 2.907 N/A ALA 260.A N VAL 256.A O no hydrogen 3.254 N/A ALA 261.A N PRO 257.A O no hydrogen 3.025 N/A VAL 262.A N ASP 258.A O no hydrogen 3.049 N/A HIS 263.A N ARG 259.A O no hydrogen 3.400 N/A ILE 264.A N ALA 260.A O no hydrogen 3.046 N/A ARG 265.A N ALA 261.A O no hydrogen 2.782 N/A ARG 265.A NH1 GLU 48.A O no hydrogen 3.184 N/A GLU 266.A N VAL 262.A O no hydrogen 3.154 N/A PHE 267.A N HIS 263.A O no hydrogen 3.211 N/A ALA 268.A N ILE 264.A O no hydrogen 2.830 N/A THR 269.A N ARG 265.A O no hydrogen 2.766 N/A THR 269.A OG1 ARG 265.A O no hydrogen 3.029 N/A ALA 270.A N GLU 266.A O no hydrogen 3.080 N/A ILE 271.A N PHE 267.A O no hydrogen 3.270 N/A ARG 272.A N ALA 268.A O no hydrogen 3.125 N/A ARG 272.A NE GLY 26.A O no hydrogen 2.806 N/A ARG 272.A NH1 GLY 26.A O no hydrogen 3.429 N/A GLN 273.A N ALA 270.A O no hydrogen 3.393 N/A