Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dqw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N LEU 11.A O no hydrogen 2.802 N/A TRP 5.A N GLN 156.A OE1 no hydrogen 2.595 N/A TRP 5.A NE1 GLY 109.A O no hydrogen 2.854 N/A LEU 6.A N ARG 9.A O no hydrogen 2.823 N/A ARG 7.A NH1 LEU 83.A O no hydrogen 2.548 N/A ARG 7.A NH1 ALA 87.A O no hydrogen 2.748 N/A ARG 7.A NH2 LEU 83.A O no hydrogen 2.838 N/A ASP 8.A N LEU 6.A O no hydrogen 2.710 N/A ARG 9.A NE ASP 8.A OD1 no hydrogen 2.782 N/A ARG 9.A NH1 GLY 66.A O no hydrogen 2.995 N/A ARG 9.A NH2 ASP 8.A OD1 no hydrogen 2.910 N/A LEU 11.A N LEU 4.A O no hydrogen 2.810 N/A LEU 13.A N ARG 2.A O no hydrogen 2.941 N/A VAL 16.A N GLU 246.A OE2 no hydrogen 2.798 N/A ARG 17.A N ARG 228.A O no hydrogen 2.810 N/A ARG 17.A NE ASP 12.A O no hydrogen 2.802 N/A ARG 17.A NH1 ASP 41.A OD1 no hydrogen 3.166 N/A ARG 17.A NH2 ASP 12.A O no hydrogen 3.185 N/A ARG 17.A NH2 ASP 14.A OD1 no hydrogen 3.318 N/A LEU 18.A N ASP 41.A OD2 no hydrogen 2.799 N/A LEU 19.A N LEU 230.A O no hydrogen 2.778 N/A GLY 20.A N ILE 42.A O no hydrogen 2.881 N/A VAL 21.A N VAL 232.A O no hydrogen 2.929 N/A LEU 22.A N ASP 44.A O no hydrogen 2.802 N/A LEU 24.A N GLY 46.A O no hydrogen 3.061 N/A THR 25.A N ASN 23.A OD1 no hydrogen 2.660 N/A THR 25.A OG1 ASN 23.A OD1 no hydrogen 2.482 N/A ARG 31.A NH1 GLU 38.A OE2 no hydrogen 3.372 N/A ALA 32.A N ALA 28.A O no hydrogen 3.036 N/A ARG 33.A N LEU 29.A O no hydrogen 2.847 N/A GLU 34.A N GLU 30.A O no hydrogen 2.808 N/A MET 35.A N ARG 31.A O no hydrogen 2.833 N/A VAL 36.A N ALA 32.A O no hydrogen 2.949 N/A ALA 37.A N ARG 33.A O no hydrogen 2.991 N/A GLU 38.A N GLU 34.A O no hydrogen 2.855 N/A GLY 39.A N VAL 36.A O no hydrogen 3.130 N/A ALA 40.A N MET 35.A O no hydrogen 3.048 N/A ASP 41.A N LEU 18.A O no hydrogen 2.919 N/A ILE 42.A N LEU 18.A O no hydrogen 3.079 N/A LEU 43.A N PRO 68.A O no hydrogen 2.891 N/A ASP 44.A N GLY 20.A O no hydrogen 2.790 N/A LEU 45.A N SER 70.A O no hydrogen 2.786 N/A ARG 54.A N GLU 50.A O no hydrogen 3.226 N/A LEU 55.A N GLU 51.A O no hydrogen 3.137 N/A LEU 56.A N LYS 52.A O no hydrogen 2.859 N/A LEU 59.A N LEU 55.A O no hydrogen 2.698 N/A GLU 60.A N LEU 56.A O no hydrogen 2.936 N/A VAL 62.A N VAL 58.A O no hydrogen 2.893 N/A LEU 63.A N LEU 59.A O no hydrogen 2.947 N/A SER 64.A N ALA 61.A O no hydrogen 3.224 N/A SER 64.A OG ALA 61.A O no hydrogen 2.587 N/A LEU 65.A N VAL 62.A O no hydrogen 3.104 N/A GLY 66.A N LEU 63.A O no hydrogen 3.199 N/A VAL 69.A N HIS 88.A ND1 no hydrogen 2.994 N/A SER 70.A N LEU 43.A O no hydrogen 2.697 N/A SER 70.A OG ASP 44.A OD1 no hydrogen 3.103 N/A VAL 71.A N LEU 89.A O no hydrogen 2.960 N/A ASP 72.A N LEU 45.A O no hydrogen 2.919 N/A THR 73.A OG1 GLU 51.A OE1 no hydrogen 2.984 N/A THR 73.A OG1 GLU 51.A OE2 no hydrogen 3.486 N/A LYS 75.A N THR 73.A OG1 no hydrogen 3.342 N/A LYS 75.A NZ GLU 49.A OE1 no hydrogen 3.022 N/A VAL 78.A N LYS 75.A O no hydrogen 3.052 N/A ALA 79.A N LYS 75.A O no hydrogen 3.031 N/A GLU 80.A N PRO 76.A O no hydrogen 2.779 N/A GLU 81.A N GLU 77.A O no hydrogen 3.415 N/A ALA 82.A N VAL 78.A O no hydrogen 2.917 N/A LEU 83.A N ALA 79.A O no hydrogen 2.806 N/A LYS 84.A N GLU 80.A O no hydrogen 2.813 N/A LYS 84.A NZ GLU 81.A OE2 no hydrogen 3.277 N/A LEU 85.A N GLU 81.A O no hydrogen 3.078 N/A LEU 85.A N ALA 82.A O no hydrogen 3.243 N/A GLY 86.A N ALA 82.A O no hydrogen 3.214 N/A GLY 86.A N LEU 83.A O no hydrogen 3.000 N/A ALA 87.A N ALA 82.A O no hydrogen 3.074 N/A HIS 88.A N VAL 69.A O no hydrogen 2.816 N/A LEU 89.A N VAL 69.A O no hydrogen 3.205 N/A LEU 90.A N ALA 111.A O no hydrogen 3.217 N/A ASN 91.A N VAL 71.A O no hydrogen 2.847 N/A ASN 91.A ND2 ASP 92.A O no hydrogen 3.331 N/A THR 94.A N ASP 92.A OD2 no hydrogen 2.627 N/A THR 94.A OG1 ASP 92.A OD2 no hydrogen 2.685 N/A LEU 96.A N ASP 92.A OD2 no hydrogen 2.493 N/A ARG 97.A NH1 THR 94.A O no hydrogen 2.624 N/A ARG 97.A NH1 MET 117.A O no hydrogen 3.301 N/A ARG 97.A NH2 MET 117.A O no hydrogen 2.849 N/A ARG 100.A N ASP 98.A OD1 no hydrogen 2.803 N/A MET 101.A N ASP 98.A O no hydrogen 3.100 N/A VAL 102.A N ASP 98.A O no hydrogen 3.419 N/A ALA 103.A N GLU 99.A O no hydrogen 2.946 N/A LEU 104.A N ARG 100.A O no hydrogen 3.089 N/A ALA 105.A N MET 101.A O no hydrogen 3.046 N/A ALA 106.A N VAL 102.A O no hydrogen 3.202 N/A ARG 107.A N ALA 103.A O no hydrogen 2.929 N/A HIS 108.A N LEU 104.A O no hydrogen 2.897 N/A GLY 109.A N ALA 106.A O no hydrogen 3.321 N/A VAL 110.A N ALA 105.A O no hydrogen 2.878 N/A ALA 112.A N GLN 156.A O no hydrogen 3.112 N/A VAL 113.A N LEU 90.A O no hydrogen 2.914 N/A VAL 114.A N VAL 158.A O no hydrogen 2.771 N/A HIS 116.A N ASP 160.A O no hydrogen 2.888 N/A ALA 123.A N ASP 121.A OD1 no hydrogen 3.087 N/A THR 124.A N ASP 121.A O no hydrogen 3.081 N/A THR 124.A OG1 ASP 121.A O no hydrogen 3.295 N/A ALA 127.A N THR 124.A O no hydrogen 2.887 N/A HIS 128.A N MET 125.A O no hydrogen 2.906 N/A TYR 131.A OH GLY 166.A O no hydrogen 2.712 N/A ARG 132.A N GLU 137.A OE1 no hydrogen 2.879 N/A ASP 133.A N GLU 137.A OE1 no hydrogen 3.050 N/A ALA 136.A N ASP 133.A OD2 no hydrogen 3.247 N/A GLU 137.A N ASP 133.A O no hydrogen 2.906 N/A VAL 138.A N VAL 134.A O no hydrogen 2.847 N/A LYS 139.A N VAL 135.A O no hydrogen 2.968 N/A LYS 139.A NZ GLU 181.A OE1 no hydrogen 3.441 N/A ALA 140.A N ALA 136.A O no hydrogen 2.969 N/A PHE 141.A N GLU 137.A O no hydrogen 3.022 N/A LEU 142.A N VAL 138.A O no hydrogen 2.921 N/A GLU 143.A N LYS 139.A O no hydrogen 3.000 N/A ALA 144.A N ALA 140.A O no hydrogen 3.043 N/A GLN 145.A N PHE 141.A O no hydrogen 2.981 N/A GLN 145.A NE2 GLY 95.A O no hydrogen 3.076 N/A ALA 146.A N LEU 142.A O no hydrogen 2.919 N/A ARG 147.A N GLU 143.A O no hydrogen 2.953 N/A ARG 148.A N ALA 144.A O no hydrogen 3.036 N/A ARG 148.A NE GLU 99.A OE1 no hydrogen 2.864 N/A ARG 148.A NH1 ARG 97.A O no hydrogen 3.486 N/A ARG 148.A NH2 ARG 97.A O no hydrogen 2.750 N/A ARG 148.A NH2 GLU 99.A OE1 no hydrogen 2.629 N/A ALA 149.A N GLN 145.A O no hydrogen 2.947 N/A LEU 150.A N ALA 146.A O no hydrogen 2.921 N/A SER 151.A N ARG 147.A O no hydrogen 2.914 N/A SER 151.A OG ARG 147.A O no hydrogen 2.917 N/A ALA 152.A N ARG 148.A O no hydrogen 3.201 N/A ALA 152.A N ALA 149.A O no hydrogen 3.195 N/A GLY 153.A N LEU 150.A O no hydrogen 3.195 N/A VAL 154.A N ALA 149.A O no hydrogen 3.062 N/A GLN 156.A NE2 THR 3.A O no hydrogen 3.050 N/A VAL 158.A N ALA 112.A O no hydrogen 2.960 N/A LEU 159.A N PRO 188.A O no hydrogen 2.903 N/A ASP 160.A N VAL 114.A O no hydrogen 2.919 N/A GLY 162.A N ASP 160.A OD1 no hydrogen 2.838 N/A GLY 164.A N ASN 172.A OD1 no hydrogen 3.026 N/A PHE 165.A N GLY 162.A O no hydrogen 3.056 N/A LYS 167.A NZ HIS 116.A ND1 no hydrogen 2.917 N/A LYS 167.A NZ HIS 116.A O no hydrogen 3.119 N/A LYS 167.A NZ PRO 161.A O no hydrogen 3.099 N/A LYS 167.A NZ GLY 162.A O no hydrogen 2.882 N/A LYS 167.A NZ PHE 165.A O no hydrogen 2.890 N/A LEU 168.A N HIS 171.A ND1 no hydrogen 3.026 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.726 N/A HIS 171.A N LEU 168.A O no hydrogen 2.901 N/A ASN 172.A N LEU 168.A O no hydrogen 2.978 N/A ASN 172.A ND2 LYS 167.A O no hydrogen 3.383 N/A LEU 173.A N LEU 169.A O no hydrogen 2.830 N/A ALA 174.A N GLU 170.A O no hydrogen 3.115 N/A LEU 175.A N HIS 171.A O no hydrogen 2.992 N/A LEU 176.A N ASN 172.A O no hydrogen 2.998 N/A ARG 177.A N LEU 173.A O no hydrogen 2.940 N/A ARG 178.A N ALA 174.A O no hydrogen 3.141 N/A ARG 178.A NE GLU 181.A OE1 no hydrogen 3.416 N/A ARG 178.A NE GLU 181.A OE2 no hydrogen 2.733 N/A ARG 178.A NH2 GLU 181.A OE1 no hydrogen 2.890 N/A ARG 178.A NH2 GLU 181.A OE2 no hydrogen 3.538 N/A LEU 179.A N LEU 176.A O no hydrogen 3.221 N/A GLU 181.A N ARG 178.A O no hydrogen 2.940 N/A ILE 182.A N LEU 179.A O no hydrogen 2.913 N/A VAL 183.A N LEU 179.A O no hydrogen 3.083 N/A ALA 184.A N ASP 180.A O no hydrogen 2.917 N/A LEU 185.A N ILE 182.A O no hydrogen 3.036 N/A GLY 186.A N VAL 183.A O no hydrogen 3.159 N/A LEU 190.A N LEU 159.A O no hydrogen 2.792 N/A VAL 191.A N LEU 229.A O no hydrogen 3.164 N/A LEU 193.A N HIS 219.A NE2 no hydrogen 2.961 N/A SER 194.A OG ARG 231.A O no hydrogen 3.437 N/A ARG 195.A N SER 215.A OG no hydrogen 3.142 N/A ARG 195.A NH2 ASP 234.A OD1 no hydrogen 3.260 N/A LYS 196.A N LEU 193.A O no hydrogen 3.111 N/A LYS 196.A NZ GLY 192.A O no hydrogen 3.159 N/A GLY 200.A N LYS 196.A O no hydrogen 3.138 N/A GLU 201.A N ARG 197.A O no hydrogen 2.783 N/A LEU 202.A N THR 198.A O no hydrogen 3.030 N/A SER 203.A N ILE 199.A O no hydrogen 2.920 N/A SER 203.A OG ILE 199.A O no hydrogen 2.667 N/A GLY 204.A N GLY 200.A O no hydrogen 2.899 N/A VAL 205.A N GLY 200.A O no hydrogen 3.229 N/A ALA 209.A N ASP 207.A OD2 no hydrogen 3.062 N/A GLN 210.A N ASP 207.A O no hydrogen 2.965 N/A ARG 211.A NE VAL 205.A O no hydrogen 2.916 N/A ARG 211.A NH1 ARG 195.A O no hydrogen 2.985 N/A ARG 211.A NH2 VAL 205.A O no hydrogen 3.118 N/A SER 215.A N ARG 211.A O no hydrogen 2.999 N/A SER 215.A OG ARG 211.A O no hydrogen 2.853 N/A VAL 216.A N VAL 212.A O no hydrogen 2.868 N/A ALA 217.A N HIS 213.A O no hydrogen 3.099 N/A ALA 218.A N GLY 214.A O no hydrogen 2.988 N/A HIS 219.A N SER 215.A O no hydrogen 2.913 N/A HIS 219.A ND1 HIS 238.A NE2 no hydrogen 2.811 N/A LEU 220.A N VAL 216.A O no hydrogen 2.824 N/A PHE 221.A N ALA 217.A O no hydrogen 3.088 N/A ALA 222.A N ALA 218.A O no hydrogen 2.981 N/A VAL 223.A N HIS 219.A O no hydrogen 2.894 N/A MET 224.A N LEU 220.A O no hydrogen 2.949 N/A LYS 225.A N PHE 221.A O no hydrogen 3.004 N/A LYS 225.A NZ ARG 177.A O no hydrogen 2.911 N/A LYS 225.A NZ ASP 180.A OD1 no hydrogen 3.274 N/A GLY 226.A N VAL 223.A O no hydrogen 2.899 N/A VAL 227.A N ALA 222.A O no hydrogen 3.016 N/A ARG 228.A NH1 VAL 223.A O no hydrogen 2.894 N/A ARG 228.A NH1 VAL 227.A O no hydrogen 2.892 N/A LEU 230.A N ARG 17.A O no hydrogen 3.058 N/A ARG 231.A N VAL 191.A O no hydrogen 2.954 N/A ARG 231.A NH1 ASP 44.A OD2 no hydrogen 3.057 N/A ARG 231.A NH1 ASN 91.A OD1 no hydrogen 2.733 N/A ARG 231.A NH2 ASN 91.A OD1 no hydrogen 2.805 N/A ARG 231.A NH2 ASP 160.A OD2 no hydrogen 3.555 N/A VAL 232.A N LEU 19.A O no hydrogen 2.942 N/A ARG 236.A N GLU 38.A OE1 no hydrogen 2.975 N/A HIS 238.A N ASP 234.A O no hydrogen 3.315 N/A HIS 238.A ND1 ASP 234.A O no hydrogen 2.804 N/A HIS 238.A NE2 HIS 219.A ND1 no hydrogen 2.811 N/A ARG 239.A N VAL 235.A O no hydrogen 2.925 N/A ARG 239.A NE GLY 39.A O no hydrogen 2.869 N/A ARG 239.A NH2 VAL 16.A O no hydrogen 3.088 N/A ARG 239.A NH2 ASP 41.A OD2 no hydrogen 2.771 N/A GLU 240.A N ARG 236.A O no hydrogen 2.870 N/A ALA 241.A N ALA 237.A O no hydrogen 2.998 N/A LEU 242.A N HIS 238.A O no hydrogen 2.802 N/A GLY 243.A N ARG 239.A O no hydrogen 2.955 N/A VAL 244.A N ALA 241.A O no hydrogen 3.208 N/A TRP 245.A N ALA 241.A O no hydrogen 2.905 N/A GLU 246.A N LEU 242.A O no hydrogen 2.784 N/A ALA 247.A N VAL 244.A O no hydrogen 3.108 N/A LEU 248.A N VAL 244.A O no hydrogen 3.056 N/A TYR 249.A N TRP 245.A O no hydrogen 2.834 N/A GLY 250.A N LEU 248.A O no hydrogen 2.676 N/A