Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qe6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A NE1 ASP 27.A OD1 no hydrogen 2.795 N/A LEU 8.A N PRO 5.A O no hydrogen 2.936 N/A ASP 9.A N PRO 6.A O no hydrogen 3.091 N/A SER 11.A N ASP 9.A OD1 no hydrogen 2.863 N/A THR 14.A N ASP 32.A OD1 no hydrogen 2.875 N/A THR 14.A OG1 ASP 104.A OD2 no hydrogen 2.731 N/A ARG 17.A N THR 14.A OG1 no hydrogen 3.178 N/A ARG 17.A NE ASP 104.A OD2 no hydrogen 2.923 N/A ARG 17.A NH1 LEU 8.A O no hydrogen 3.133 N/A ARG 17.A NH2 ASP 104.A OD1 no hydrogen 2.877 N/A VAL 18.A N THR 14.A O no hydrogen 2.960 N/A TYR 19.A N ILE 15.A O no hydrogen 3.118 N/A ASP 20.A N ALA 16.A O no hydrogen 2.929 N/A ALA 21.A N ARG 17.A O no hydrogen 2.896 N/A LEU 22.A N VAL 18.A O no hydrogen 2.816 N/A LEU 23.A N TYR 19.A O no hydrogen 3.034 N/A GLY 24.A N ALA 21.A O no hydrogen 2.985 N/A GLY 25.A N ASP 20.A O no hydrogen 2.791 N/A ASP 27.A N ASP 20.A OD2 no hydrogen 2.838 N/A ASN 28.A ND2 ASP 20.A OD2 no hydrogen 2.960 N/A ASN 28.A ND2 GLY 25.A O no hydrogen 2.679 N/A PHE 29.A N ASP 32.A OD2 no hydrogen 2.752 N/A ARG 33.A N PHE 29.A O no hydrogen 3.012 N/A ARG 33.A NH1 ASN 28.A OD1 no hydrogen 2.866 N/A ALA 34.A N GLU 30.A O no hydrogen 2.695 N/A LEU 35.A N ALA 31.A O no hydrogen 3.177 N/A ALA 36.A N ASP 32.A O no hydrogen 3.017 N/A ASP 37.A N ARG 33.A O no hydrogen 2.898 N/A TYR 38.A N ALA 34.A O no hydrogen 3.016 N/A ALA 39.A N LEU 35.A O no hydrogen 2.887 N/A CYS 40.A N ALA 36.A O no hydrogen 2.932 N/A CYS 40.A SG ALA 36.A O no hydrogen 3.265 N/A LYS 41.A N ASP 37.A O no hydrogen 3.019 N/A LEU 45.A N ILE 42.A O no hydrogen 3.207 N/A SER 48.A N GLY 44.A O no hydrogen 2.857 N/A SER 48.A OG LEU 45.A O no hydrogen 2.625 N/A ALA 49.A N LEU 45.A O no hydrogen 3.191 N/A ILE 50.A N LYS 46.A O no hydrogen 2.988 N/A GLU 51.A N GLU 47.A O no hydrogen 2.853 N/A ASN 52.A N SER 48.A O no hydrogen 3.011 N/A ASN 52.A ND2 TYR 19.A OH no hydrogen 2.957 N/A ARG 53.A N ALA 49.A O no hydrogen 2.999 N/A ARG 53.A NH2 GLN 83.A O no hydrogen 3.117 N/A LYS 54.A N ILE 50.A O no hydrogen 2.885 N/A LYS 54.A NZ GLU 51.A OE2 no hydrogen 3.485 N/A VAL 55.A N GLU 51.A O no hydrogen 2.932 N/A LEU 56.A N ASN 52.A O no hydrogen 2.947 N/A VAL 57.A N ARG 53.A O no hydrogen 3.116 N/A ARG 58.A N LYS 54.A O no hydrogen 3.101 N/A ARG 58.A NE TRP 233.A O no hydrogen 2.942 N/A ARG 58.A NE ARG 234.A O no hydrogen 2.983 N/A ARG 58.A NH2 THR 230.A O no hydrogen 2.934 N/A ARG 58.A NH2 TRP 233.A O no hydrogen 2.822 N/A GLY 59.A N VAL 55.A O no hydrogen 2.811 N/A VAL 60.A N LEU 56.A O no hydrogen 2.882 N/A ARG 61.A N VAL 57.A O no hydrogen 2.908 N/A ARG 61.A NH1.A ASP 236.A OD2 no hydrogen 3.252 N/A ARG 61.A NH2.A ASP 236.A OD2 no hydrogen 2.688 N/A PHE 62.A N ARG 58.A O no hydrogen 3.019 N/A LEU 63.A N GLY 59.A O no hydrogen 2.944 N/A ALA 64.A N VAL 60.A O no hydrogen 2.860 N/A GLY 65.A N ARG 61.A O no hydrogen 3.111 N/A ALA 67.A N PHE 62.A O no hydrogen 2.869 N/A GLY 68.A N GLY 65.A O no hydrogen 3.110 N/A ILE 69.A N LEU 63.A O no hydrogen 2.870 N/A GLN 71.A NE2 ASP 143.A O no hydrogen 2.795 N/A GLN 71.A NE2 PRO 147.A O no hydrogen 2.960 N/A PHE 72.A N ARG 97.A O no hydrogen 2.773 N/A LEU 73.A N ALA 149.A O no hydrogen 2.907 N/A ASP 74.A N VAL 99.A O no hydrogen 2.906 N/A GLY 76.A N VAL 101.A O no hydrogen 2.778 N/A SER 77.A N VAL 101.A O no hydrogen 2.951 N/A SER 77.A OG GLY 78.A O no hydrogen 3.259 N/A GLY 78.A N ASP 102.A OD2 no hydrogen 2.814 N/A THR 81.A N ASN 84.A OD1 no hydrogen 2.909 N/A THR 81.A OG1 ASN 84.A OD1 no hydrogen 3.453 N/A GLN 83.A N THR 81.A OG1 no hydrogen 3.091 N/A ASN 84.A N GLU 87.A OE1 no hydrogen 2.732 N/A ASN 84.A ND2 THR 81.A O no hydrogen 3.237 N/A ASN 84.A ND2 GLU 87.A OE2 no hydrogen 3.419 N/A THR 85.A OG1 ASP 74.A OD2 no hydrogen 2.864 N/A HIS 86.A N TYR 100.A OH no hydrogen 2.849 N/A HIS 86.A ND1 TYR 100.A OH no hydrogen 2.567 N/A VAL 88.A N ASN 84.A O no hydrogen 2.990 N/A ALA 89.A N THR 85.A O no hydrogen 2.810 N/A GLN 90.A N HIS 86.A O no hydrogen 2.803 N/A GLN 90.A NE2 ASP 117.A OD2 no hydrogen 2.758 N/A SER 91.A N GLU 87.A O no hydrogen 3.068 N/A SER 91.A OG VAL 88.A O no hydrogen 2.600 N/A VAL 92.A N ALA 89.A O no hydrogen 3.332 N/A ASN 93.A N ALA 89.A O no hydrogen 2.890 N/A ASN 93.A ND2 ALA 64.A O no hydrogen 3.366 N/A ASN 93.A ND2 ILE 69.A O no hydrogen 3.220 N/A ASN 93.A ND2 SER 70.A OG no hydrogen 3.111 N/A ALA 96.A N ASN 93.A O no hydrogen 2.952 N/A ARG 97.A N SER 70.A O no hydrogen 2.714 N/A VAL 98.A N ASN 119.A O no hydrogen 2.956 N/A VAL 99.A N PHE 72.A O no hydrogen 2.968 N/A TYR 100.A N ALA 121.A O no hydrogen 2.847 N/A TYR 100.A OH HIS 86.A ND1 no hydrogen 2.567 N/A VAL 101.A N ASP 74.A O no hydrogen 2.950 N/A ASP 102.A N PHE 123.A O no hydrogen 3.139 N/A ASP 104.A N ASP 102.A OD1 no hydrogen 2.977 N/A THR 108.A N PRO 105.A O no hydrogen 2.937 N/A THR 108.A OG1 PRO 105.A O no hydrogen 2.878 N/A HIS 109.A ND1 ASP 27.A OD2 no hydrogen 2.299 N/A GLY 110.A N VAL 106.A O no hydrogen 2.886 N/A ARG 111.A N LEU 107.A O no hydrogen 2.895 N/A LEU 113.A N HIS 109.A O no hydrogen 3.469 N/A LEU 114.A N GLY 110.A O no hydrogen 2.730 N/A ALA 115.A N ARG 111.A O no hydrogen 3.146 N/A ASP 117.A N LEU 114.A O no hydrogen 3.333 N/A ASN 119.A N ASP 117.A OD1 no hydrogen 2.942 N/A THR 120.A N ASP 117.A O no hydrogen 3.415 N/A THR 120.A OG1 ASP 117.A OD2 no hydrogen 2.469 N/A ALA 121.A N VAL 98.A O no hydrogen 2.971 N/A PHE 123.A N TYR 100.A O no hydrogen 2.948 N/A ALA 125.A N ASP 102.A O no hydrogen 3.095 N/A ARG 128.A N ASP 126.A OD1 no hydrogen 2.907 N/A ARG 128.A NE ASP 126.A OD1 no hydrogen 3.213 N/A ARG 128.A NE ASP 126.A OD2 no hydrogen 3.412 N/A ARG 128.A NH2 ASP 126.A OD2 no hydrogen 3.017 N/A ASP 129.A N ASP 126.A O no hydrogen 2.831 N/A TYR 132.A N ASP 129.A OD1 no hydrogen 3.487 N/A ILE 133.A N ASP 129.A O no hydrogen 3.172 N/A LEU 134.A N PRO 130.A O no hydrogen 2.777 N/A ASN 135.A N TYR 132.A O no hydrogen 3.355 N/A ASN 135.A ND2 GLU 131.A O no hydrogen 2.696 N/A HIS 136.A N ILE 133.A O no hydrogen 3.146 N/A ASP 138.A N HIS 136.A ND1 no hydrogen 3.119 N/A ARG 140.A N HIS 136.A O no hydrogen 2.778 N/A ARG 141.A N PRO 137.A O no hydrogen 2.944 N/A ARG 141.A NE ASP 138.A OD1 no hydrogen 3.198 N/A ARG 141.A NH2 ASP 138.A OD1 no hydrogen 3.506 N/A ASP 143.A N GLN 71.A OE1 no hydrogen 2.778 N/A SER 145.A N ASP 143.A OD1 no hydrogen 3.062 N/A SER 145.A OG ASP 143.A OD1 no hydrogen 2.753 N/A SER 145.A OG ASP 143.A OD2 no hydrogen 3.146 N/A ARG 146.A N ASP 143.A O no hydrogen 3.116 N/A ALA 148.A N SER 177.A OG no hydrogen 2.941 N/A ALA 149.A N GLN 71.A O no hydrogen 2.916 N/A ILE 150.A N TYR 178.A O no hydrogen 2.971 N/A GLY 153.A N THR 181.A OG1 no hydrogen 2.682 N/A LEU 157.A N LEU 154.A O no hydrogen 3.105 N/A SER 158.A OG ASP 160.A OD1 no hydrogen 2.446 N/A VAL 161.A N SER 158.A O no hydrogen 3.157 N/A VAL 162.A N SER 158.A O no hydrogen 2.924 N/A ARG 164.A NH1 ARG 128.A O no hydrogen 3.335 N/A ARG 164.A NH2 ARG 128.A O no hydrogen 3.321 N/A VAL 165.A N VAL 161.A O no hydrogen 3.036 N/A VAL 166.A N VAL 162.A O no hydrogen 2.934 N/A GLY 167.A N ASP 163.A O no hydrogen 3.021 N/A ALA 168.A N ARG 164.A O no hydrogen 2.984 N/A TYR 169.A OH VAL 127.A O no hydrogen 2.656 N/A ARG 170.A N VAL 166.A O no hydrogen 3.028 N/A ARG 170.A NH1 GLN 216.A O no hydrogen 2.810 N/A ASP 171.A N GLY 167.A O no hydrogen 2.942 N/A ALA 172.A N ALA 168.A O no hydrogen 3.117 N/A LEU 173.A N ARG 170.A O no hydrogen 3.316 N/A GLY 176.A N LYS 257.A O no hydrogen 2.816 N/A SER 177.A N ALA 174.A O no hydrogen 3.095 N/A SER 177.A OG ALA 174.A O no hydrogen 2.710 N/A TYR 178.A N ALA 148.A O no hydrogen 2.901 N/A LEU 179.A N GLY 255.A O no hydrogen 2.902 N/A PHE 180.A N ILE 150.A O no hydrogen 2.956 N/A THR 181.A N LEU 151.A O no hydrogen 3.359 N/A THR 181.A OG1 ASN 52.A OD1 no hydrogen 2.637 N/A SER 182.A OG LEU 183.A O no hydrogen 2.772 N/A LEU 183.A N HIS 155.A ND1 no hydrogen 3.078 N/A VAL 184.A N LEU 250.A O no hydrogen 2.957 N/A ASP 185.A N ARG 208.A O no hydrogen 2.925 N/A THR 186.A N GLN 191.A OE1 no hydrogen 2.858 N/A THR 186.A OG1 TYR 229.A OH no hydrogen 2.699 N/A GLY 187.A N ASP 185.A OD1 no hydrogen 2.817 N/A LEU 188.A N GLN 191.A OE1 no hydrogen 2.885 N/A GLN 191.A N LEU 188.A O no hydrogen 3.029 N/A GLN 191.A NE2 THR 186.A OG1 no hydrogen 2.959 N/A GLN 191.A NE2 GLN 249.A O no hydrogen 2.736 N/A GLN 192.A NE2 ASP 185.A OD2 no hydrogen 2.874 N/A LYS 193.A N PRO 189.A O no hydrogen 3.364 N/A LEU 194.A N ALA 190.A O no hydrogen 2.858 N/A ALA 195.A N GLN 191.A O no hydrogen 3.043 N/A ARG 196.A N GLN 192.A O no hydrogen 2.981 N/A ARG 196.A NE GLU 200.A OE2 no hydrogen 2.706 N/A ARG 196.A NH2 GLU 200.A OE2 no hydrogen 3.202 N/A ILE 197.A N LYS 193.A O no hydrogen 3.001 N/A THR 198.A N LEU 194.A O no hydrogen 2.936 N/A THR 198.A OG1 LEU 194.A O no hydrogen 2.697 N/A ARG 199.A N ALA 195.A O no hydrogen 2.826 N/A ARG 199.A NH1 GLY 203.A O no hydrogen 2.689 N/A GLU 200.A N ARG 196.A O no hydrogen 2.835 N/A ASN 201.A N ILE 197.A O no hydrogen 2.996 N/A ASN 201.A ND2 ILE 197.A O no hydrogen 2.869 N/A LEU 202.A N THR 198.A O no hydrogen 2.740 N/A GLY 203.A N ARG 199.A O no hydrogen 2.946 N/A TRP 206.A N HIS 155.A O no hydrogen 2.873 N/A TRP 206.A NE1 GLU 204.A OE1 no hydrogen 2.753 N/A ARG 208.A N LEU 183.A O no hydrogen 3.155 N/A ARG 208.A NH1 LEU 157.A O no hydrogen 2.965 N/A ARG 208.A NH2 LEU 157.A O no hydrogen 2.841 N/A GLU 212.A N THR 209.A OG1 no hydrogen 3.050 N/A ILE 213.A N THR 209.A O no hydrogen 2.964 N/A GLU 214.A N PRO 210.A O no hydrogen 2.978 N/A ARG 215.A N GLU 211.A O no hydrogen 2.939 N/A ARG 215.A NH1 ASP 163.A OD1 no hydrogen 3.204 N/A ARG 215.A NH2 ASP 163.A OD1 no hydrogen 3.184 N/A ARG 215.A NH2 ASP 163.A OD2 no hydrogen 2.899 N/A GLN 216.A N ILE 213.A O no hydrogen 2.949 N/A GLN 216.A NE2 ASP 163.A OD1 no hydrogen 2.736 N/A PHE 217.A N GLU 214.A O no hydrogen 2.959 N/A GLY 218.A N ARG 215.A O no hydrogen 2.989 N/A PHE 220.A N PHE 217.A O no hydrogen 2.922 N/A GLU 221.A N ARG 256.A O no hydrogen 2.700 N/A VAL 223.A N ILE 254.A O no hydrogen 2.806 N/A GLY 226.A N VAL 223.A O no hydrogen 2.897 N/A VAL 228.A N ALA 252.A O no hydrogen 3.104 N/A TYR 229.A OH THR 186.A OG1 no hydrogen 2.699 N/A THR 230.A N GLY 251.A O no hydrogen 3.016 N/A LEU 232.A N TYR 229.A O no hydrogen 2.921 N/A TRP 233.A N THR 230.A O no hydrogen 3.252 N/A ARG 234.A NE GLU 224.A O no hydrogen 2.729 N/A ARG 234.A NH2 GLU 224.A O no hydrogen 2.904 N/A ASP 242.A N ASP 240.A OD1 no hydrogen 3.182 N/A ASN 243.A N ASP 240.A O no hydrogen 3.041 N/A SER 245.A N GLU 248.A OE1 no hydrogen 2.918 N/A SER 245.A OG GLU 248.A OE1 no hydrogen 3.185 N/A GLU 248.A N SER 245.A O no hydrogen 3.030 N/A GLU 248.A N SER 245.A OG no hydrogen 3.355 N/A GLN 249.A N PRO 246.A O no hydrogen 2.968 N/A GLN 249.A NE2 SER 245.A O no hydrogen 3.126 N/A GLY 255.A N LEU 179.A O no hydrogen 2.925 N/A ARG 256.A N GLU 221.A O no hydrogen 2.811 N/A ARG 256.A NH2 GLU 221.A OE1 no hydrogen 3.017 N/A LYS 257.A N SER 177.A O no hydrogen 2.832 N/A LYS 257.A NZ ARG 170.A O no hydrogen 2.846 N/A LYS 257.A NZ LEU 173.A O no hydrogen 2.571 N/A