Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wt3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG LEU 4.A O no hydrogen 2.979 N/A SER 12.A OG GLN 11.A O no hydrogen 2.404 N/A THR 16.A N LYS 13.A O no hydrogen 2.930 N/A CYS 18.A SG GLY 36.A O no hydrogen 2.857 N/A ARG 19.A NE ASP 21.A OD2 no hydrogen 2.750 N/A ARG 19.A NH1 ASP 21.A OD1 no hydrogen 2.798 N/A ARG 19.A NH1 ASP 21.A OD2 no hydrogen 3.272 N/A ARG 19.A NH1 VAL 253.A O no hydrogen 3.042 N/A ARG 19.A NH2 GLU 35.A O no hydrogen 3.060 N/A THR 26.A N ALA 30.A O no hydrogen 2.804 N/A THR 26.A OG1 ALA 30.A O no hydrogen 3.550 N/A TRP 28.A N THR 26.A OG1 no hydrogen 3.262 N/A TRP 28.A NE1 PRO 233.A O no hydrogen 2.806 N/A LEU 29.A N THR 26.A O no hydrogen 2.830 N/A ALA 30.A N THR 26.A OG1 no hydrogen 3.087 N/A ILE 32.A N VAL 24.A O no hydrogen 2.949 N/A VAL 33.A N VAL 236.A O no hydrogen 2.851 N/A TRP 34.A N THR 37.A OG1 no hydrogen 3.428 N/A TRP 34.A NE1 LEU 23.A O no hydrogen 2.971 N/A GLU 35.A N GLU 240.A OE1 no hydrogen 2.663 N/A THR 37.A N TRP 34.A O no hydrogen 3.064 N/A THR 37.A OG1 TRP 34.A O no hydrogen 2.714 N/A ILE 42.A N ASN 39.A OD1 no hydrogen 2.962 N/A LEU 43.A N ASN 39.A O no hydrogen 3.281 N/A ASN 44.A N ILE 40.A O no hydrogen 2.805 N/A GLU 45.A N ASP 41.A O no hydrogen 3.186 N/A GLN 46.A N ILE 42.A O no hydrogen 3.098 N/A PHE 47.A N LEU 43.A O no hydrogen 3.036 N/A ARG 48.A N ASN 44.A O no hydrogen 2.862 N/A ARG 48.A NH2 ASN 51.A OD1 no hydrogen 3.379 N/A LEU 49.A N GLU 45.A O no hydrogen 3.019 N/A GLN 50.A N PHE 47.A O no hydrogen 3.103 N/A ASN 51.A N ARG 48.A O no hydrogen 2.652 N/A THR 52.A N PHE 47.A O no hydrogen 3.244 N/A THR 52.A OG1 PHE 47.A O no hydrogen 2.931 N/A THR 53.A N ASP 123.A OD1 no hydrogen 2.976 N/A ILE 54.A N ARG 84.A O no hydrogen 2.910 N/A GLY 55.A N TYR 124.A O no hydrogen 2.777 N/A LEU 56.A N HIS 86.A O no hydrogen 2.981 N/A THR 57.A N VAL 126.A O no hydrogen 2.834 N/A THR 57.A OG1 VAL 126.A O no hydrogen 3.554 N/A VAL 58.A N TYR 88.A O no hydrogen 3.086 N/A ALA 60.A N PHE 90.A O no hydrogen 2.819 N/A LYS 62.A N ASP 92.A OD1 no hydrogen 3.081 N/A LYS 62.A N ASP 92.A OD2 no hydrogen 3.302 N/A TYR 64.A N ILE 61.A O no hydrogen 3.008 N/A VAL 65.A N LYS 62.A O no hydrogen 3.481 N/A ALA 66.A N LYS 63.A O no hydrogen 3.489 N/A PHE 67.A N TYR 64.A O no hydrogen 3.048 N/A LEU 68.A N VAL 65.A O no hydrogen 3.291 N/A LYS 69.A NZ GLU 73.A OE2 no hydrogen 2.597 N/A PHE 71.A N PHE 67.A O no hydrogen 3.058 N/A LEU 72.A N LEU 68.A O no hydrogen 2.831 N/A GLU 73.A N LYS 69.A O no hydrogen 2.917 N/A THR 74.A N LEU 70.A O no hydrogen 3.049 N/A THR 74.A OG1 LEU 70.A O no hydrogen 2.736 N/A THR 74.A OG1 PHE 71.A O no hydrogen 2.986 N/A ALA 75.A N PHE 71.A O no hydrogen 3.027 N/A GLU 76.A N LEU 72.A O no hydrogen 3.001 N/A LYS 77.A N THR 74.A O no hydrogen 3.063 N/A HIS 78.A N THR 74.A O no hydrogen 3.013 N/A HIS 78.A N ALA 75.A O no hydrogen 3.255 N/A PHE 79.A N ALA 75.A O no hydrogen 2.765 N/A MET 80.A N VAL 138.A O no hydrogen 2.913 N/A HIS 83.A N MET 80.A O no hydrogen 2.947 N/A VAL 85.A N GLY 105.A O no hydrogen 3.269 N/A HIS 86.A N ILE 54.A O no hydrogen 2.970 N/A HIS 86.A NE2 SER 109.A OG no hydrogen 2.797 N/A TYR 87.A N GLN 107.A O no hydrogen 2.697 N/A TYR 87.A OH GLU 76.A OE2 no hydrogen 2.623 N/A TYR 88.A N LEU 56.A O no hydrogen 2.861 N/A TYR 88.A OH GLU 121.A OE1 no hydrogen 2.754 N/A VAL 89.A N SER 109.A O no hydrogen 2.955 N/A PHE 90.A N VAL 58.A O no hydrogen 2.972 N/A THR 91.A N LEU 111.A O no hydrogen 3.039 N/A THR 91.A OG1 ALA 60.A O no hydrogen 2.691 N/A THR 91.A OG1 ASP 92.A OD1 no hydrogen 3.566 N/A GLN 93.A N THR 91.A OG1 no hydrogen 2.885 N/A ALA 96.A N GLN 93.A O no hydrogen 2.892 N/A VAL 97.A N PRO 94.A O no hydrogen 3.269 N/A GLY 103.A N GLU 76.A OE1 no hydrogen 2.737 N/A ARG 106.A NE GLU 76.A OE2 no hydrogen 2.743 N/A ARG 106.A NH1 PHE 79.A O no hydrogen 2.817 N/A ARG 106.A NH1 TYR 87.A OH no hydrogen 2.900 N/A ARG 106.A NH2 PHE 79.A O no hydrogen 3.054 N/A ARG 106.A NH2 MET 80.A O no hydrogen 3.445 N/A GLN 107.A N VAL 85.A O no hydrogen 2.878 N/A SER 109.A N TYR 87.A O no hydrogen 2.830 N/A SER 109.A OG HIS 86.A NE2 no hydrogen 2.797 N/A LEU 111.A N VAL 89.A O no hydrogen 2.835 N/A VAL 113.A N THR 91.A O no hydrogen 2.963 N/A ARG 117.A N CYS 114.A O no hydrogen 2.963 N/A SER 120.A N ARG 116.A O no hydrogen 3.222 N/A SER 120.A N ARG 117.A O no hydrogen 3.015 N/A GLU 121.A N ARG 117.A O no hydrogen 2.997 N/A GLU 121.A N PHE 118.A O no hydrogen 3.095 N/A VAL 122.A N PHE 118.A O no hydrogen 3.036 N/A ASP 123.A N THR 53.A O no hydrogen 2.851 N/A TYR 124.A N THR 53.A O no hydrogen 3.383 N/A LEU 125.A N GLY 190.A O no hydrogen 2.806 N/A VAL 126.A N GLY 55.A O no hydrogen 2.763 N/A CYS 127.A N PHE 188.A O no hydrogen 2.740 N/A CYS 127.A SG PHE 188.A O no hydrogen 3.795 N/A VAL 128.A N THR 57.A O no hydrogen 3.273 N/A ASP 129.A N ARG 186.A O no hydrogen 3.167 N/A GLU 133.A N THR 260.A O no hydrogen 2.916 N/A PHE 134.A N THR 74.A OG1 no hydrogen 2.998 N/A ARG 135.A N ARG 258.A O no hydrogen 2.673 N/A ARG 135.A NH1 GLN 245.A OE1 no hydrogen 2.703 N/A ARG 135.A NH2 GLN 245.A OE1 no hydrogen 2.789 N/A ASP 136.A N ARG 258.A O no hydrogen 3.317 N/A HIS 137.A N ASP 136.A OD1 no hydrogen 2.679 N/A HIS 137.A NE2 GLU 141.A OE2 no hydrogen 2.874 N/A VAL 138.A N HIS 78.A O no hydrogen 3.046 N/A GLY 139.A N GLU 141.A OE1 no hydrogen 2.905 N/A GLU 141.A N GLU 141.A OE2 no hydrogen 2.711 N/A ILE 142.A N GLY 139.A O no hydrogen 3.226 N/A LEU 143.A N VAL 140.A O no hydrogen 3.083 N/A THR 144.A OG1 THR 234.A OG1 no hydrogen 2.520 N/A LEU 146.A N THR 234.A OG1 no hydrogen 2.980 N/A PHE 147.A N GLY 189.A O no hydrogen 2.897 N/A THR 149.A OG1 PHE 187.A O no hydrogen 2.894 N/A LEU 150.A N LEU 237.A O no hydrogen 2.894 N/A HIS 151.A N TYR 182.A O no hydrogen 2.902 N/A PHE 154.A N HIS 151.A O no hydrogen 3.213 N/A SER 157.A N PHE 154.A O no hydrogen 2.917 N/A SER 158.A OG GLU 160.A OE1 no hydrogen 2.691 N/A SER 158.A OG GLU 160.A OE2 no hydrogen 2.728 N/A ARG 159.A NE GLY 179.A O no hydrogen 3.041 N/A ARG 159.A NH1 GLY 179.A O no hydrogen 2.817 N/A ALA 161.A N SER 158.A O no hydrogen 3.019 N/A PHE 162.A N ARG 159.A O no hydrogen 3.013 N/A THR 163.A OG1 TYR 182.A OH no hydrogen 3.091 N/A TYR 164.A OH PHE 181.A O no hydrogen 2.679 N/A ARG 166.A NH1 ILE 174.A O no hydrogen 2.814 N/A ARG 166.A NH2 ARG 159.A O no hydrogen 2.931 N/A ARG 166.A NH2 PHE 162.A O no hydrogen 3.006 N/A ARG 167.A N GLU 165.A OE2 no hydrogen 2.842 N/A ARG 167.A NE GLU 165.A OE2 no hydrogen 2.719 N/A ARG 167.A NH2 GLU 165.A OE1 no hydrogen 2.947 N/A ARG 167.A NH2 GLU 165.A OE2 no hydrogen 3.564 N/A ARG 167.A NH2 GLU 215.A O no hydrogen 2.813 N/A SER 170.A N ARG 167.A O no hydrogen 3.063 N/A SER 170.A OG ASP 209.A OD2 no hydrogen 2.560 N/A GLN 171.A N ASP 209.A OD1 no hydrogen 2.828 N/A ALA 172.A N SER 170.A OG no hydrogen 3.119 N/A TYR 173.A N SER 170.A O no hydrogen 3.054 N/A ILE 174.A N GLU 165.A O no hydrogen 3.026 N/A LYS 176.A NZ GLU 160.A O no hydrogen 2.495 N/A GLU 178.A N PRO 175.A O no hydrogen 3.054 N/A TYR 182.A OH GLU 221.A OE2 no hydrogen 2.629 N/A TYR 183.A N ASN 225.A OD1 no hydrogen 2.868 N/A LEU 184.A N THR 149.A O no hydrogen 2.784 N/A GLY 185.A N GLU 221.A OE1 no hydrogen 2.924 N/A ARG 186.A NH1 GLU 221.A OE1 no hydrogen 3.065 N/A ARG 186.A NH2 GLU 221.A OE1 no hydrogen 2.986 N/A PHE 188.A N CYS 127.A O no hydrogen 3.035 N/A GLY 189.A N PHE 147.A O no hydrogen 3.254 N/A GLY 190.A N LEU 125.A O no hydrogen 2.976 N/A SER 191.A N PRO 145.A O no hydrogen 2.778 N/A VAL 192.A N ASP 123.A O no hydrogen 3.354 N/A GLU 194.A N SER 191.A OG no hydrogen 3.128 N/A VAL 195.A N SER 191.A O no hydrogen 2.927 N/A GLN 196.A N VAL 192.A O no hydrogen 2.894 N/A GLN 196.A NE2 GLU 115.A O no hydrogen 2.802 N/A ARG 197.A N GLN 193.A O no hydrogen 3.052 N/A LEU 198.A N GLU 194.A O no hydrogen 3.080 N/A THR 199.A N VAL 195.A O no hydrogen 2.947 N/A THR 199.A OG1 VAL 195.A O no hydrogen 3.245 N/A THR 199.A OG1 GLN 196.A O no hydrogen 3.070 N/A ARG 200.A N GLN 196.A O no hydrogen 2.836 N/A ALA 201.A N ARG 197.A O no hydrogen 2.942 N/A CYS 202.A N LEU 198.A O no hydrogen 2.895 N/A CYS 202.A SG LEU 198.A O no hydrogen 3.154 N/A HIS 203.A N THR 199.A O no hydrogen 2.843 N/A GLN 204.A N ARG 200.A O no hydrogen 3.111 N/A ALA 205.A N ALA 201.A O no hydrogen 2.970 N/A MET 206.A N CYS 202.A O no hydrogen 2.944 N/A MET 207.A N HIS 203.A O no hydrogen 3.050 N/A VAL 208.A N GLN 204.A O no hydrogen 3.071 N/A ASP 209.A N ALA 205.A O no hydrogen 3.069 N/A GLN 210.A N MET 206.A O no hydrogen 2.945 N/A ALA 211.A N MET 207.A O no hydrogen 3.100 N/A ASN 212.A N VAL 208.A O no hydrogen 3.057 N/A GLY 213.A N GLN 210.A O no hydrogen 2.677 N/A ILE 214.A N ASP 209.A O no hydrogen 2.697 N/A VAL 217.A N GLU 165.A OE1 no hydrogen 2.735 N/A TRP 218.A N SER 222.A OG no hydrogen 2.925 N/A HIS 219.A N ALA 216.A O no hydrogen 3.024 N/A SER 222.A N HIS 219.A O no hydrogen 2.920 N/A HIS 223.A N HIS 219.A O no hydrogen 3.317 N/A HIS 223.A ND1 HIS 219.A O no hydrogen 2.968 N/A LEU 224.A N ASP 220.A O no hydrogen 2.869 N/A ASN 225.A N GLU 221.A O no hydrogen 3.127 N/A ASN 225.A ND2 TYR 183.A O no hydrogen 3.008 N/A ASN 225.A ND2 GLU 221.A O no hydrogen 2.877 N/A LYS 226.A N SER 222.A O no hydrogen 3.272 N/A LYS 226.A NZ GLN 171.A O no hydrogen 2.768 N/A LYS 226.A NZ TYR 173.A O no hydrogen 2.985 N/A TYR 227.A N HIS 223.A O no hydrogen 2.888 N/A LEU 228.A N LEU 224.A O no hydrogen 2.925 N/A LEU 229.A N ASN 225.A O no hydrogen 3.017 N/A LEU 229.A N LYS 226.A O no hydrogen 3.224 N/A ARG 230.A N LYS 226.A O no hydrogen 3.197 N/A ARG 230.A NH2 GLU 178.A OE2 no hydrogen 2.946 N/A HIS 231.A N TYR 227.A O no hydrogen 2.792 N/A HIS 231.A ND1 TYR 227.A O no hydrogen 2.989 N/A LYS 232.A NZ ASP 180.A OD2 no hydrogen 2.752 N/A LYS 232.A NZ LEU 229.A O no hydrogen 2.847 N/A THR 234.A N LEU 146.A O no hydrogen 2.672 N/A THR 234.A OG1 THR 144.A OG1 no hydrogen 2.520 N/A THR 234.A OG1 LEU 146.A O no hydrogen 2.999 N/A LYS 235.A NZ GLU 141.A O no hydrogen 2.771 N/A LYS 235.A NZ LEU 143.A O no hydrogen 2.793 N/A VAL 236.A N PRO 31.A O no hydrogen 2.926 N/A LEU 237.A N GLY 148.A O no hydrogen 2.891 N/A SER 238.A N VAL 33.A O no hydrogen 3.268 N/A SER 238.A OG VAL 33.A O no hydrogen 2.837 N/A TYR 241.A N SER 238.A O no hydrogen 3.096 N/A TYR 241.A OH GLU 141.A OE1 no hydrogen 2.651 N/A LEU 242.A N PRO 239.A O no hydrogen 3.095 N/A TRP 243.A N PHE 259.A O no hydrogen 2.930 N/A TRP 243.A NE1 GLY 249.A O no hydrogen 2.695 N/A LEU 247.A N ASP 244.A OD1 no hydrogen 3.048 N/A LEU 248.A N ASP 244.A O no hydrogen 2.815 N/A GLY 249.A N GLN 245.A O no hydrogen 2.733 N/A TRP 250.A NE1 LEU 254.A O no hydrogen 2.751 N/A LEU 254.A N PRO 251.A O no hydrogen 3.115 N/A ARG 258.A N GLU 240.A O no hydrogen 2.850 N/A ARG 258.A NE GLU 240.A OE2 no hydrogen 2.769 N/A ARG 258.A NH1 HIS 137.A O no hydrogen 2.903 N/A ARG 258.A NH2 GLU 35.A OE2 no hydrogen 2.810 N/A ARG 258.A NH2 GLU 240.A OE2 no hydrogen 2.781 N/A PHE 259.A N GLU 240.A O no hydrogen 3.462 N/A THR 260.A N GLU 133.A O no hydrogen 3.001 N/A THR 260.A OG1 TRP 243.A O no hydrogen 2.989 N/A THR 260.A OG1 ALA 261.A O no hydrogen 3.512 N/A ALA 261.A N TRP 243.A O no hydrogen 2.922 N/A