Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xdq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N GLY 164.A O no hydrogen 3.351 N/A SER 5.A N LEU 75.A O no hydrogen 3.085 N/A TRP 10.A N PRO 7.A O no hydrogen 3.204 N/A GLN 11.A N ALA 8.A O no hydrogen 3.152 N/A GLN 11.A NE2 GLU 77.A OE1 no hydrogen 3.114 N/A ASN 12.A ND2 ILE 79.A O no hydrogen 3.128 N/A LEU 14.A N ASN 12.A OD1 no hydrogen 2.948 N/A THR 17.A N VAL 91.A O no hydrogen 3.046 N/A THR 17.A OG1 VAL 91.A O no hydrogen 3.547 N/A THR 17.A OG1 ILE 236.A O no hydrogen 2.962 N/A LYS 21.A N PRO 18.A O no hydrogen 2.783 N/A LYS 21.A NZ GLY 237.A O no hydrogen 2.805 N/A VAL 22.A N PRO 18.A O no hydrogen 3.037 N/A SER 23.A N ALA 19.A O no hydrogen 3.006 N/A SER 23.A OG ASN 171.A OD1 no hydrogen 2.995 N/A GLY 24.A N LYS 21.A O no hydrogen 2.855 N/A TYR 25.A N LYS 21.A O no hydrogen 2.840 N/A ASN 26.A N LYS 35.A O no hydrogen 2.835 N/A ASN 26.A ND2 VAL 22.A O no hydrogen 2.950 N/A ASN 27.A ND2 GLU 86.A OE2 no hydrogen 3.506 N/A GLU 30.A N GLU 30.A OE2 no hydrogen 2.683 N/A PHE 31.A N PHE 28.A O no hydrogen 2.724 N/A GLY 32.A N TYR 29.A O no hydrogen 3.150 N/A ASP 34.A N ASP 37.A OD2 no hydrogen 3.423 N/A LYS 35.A NZ ASN 27.A OD1 no hydrogen 2.895 N/A LYS 35.A NZ GLU 86.A OE2 no hydrogen 2.876 N/A ASP 37.A N ASP 34.A O no hydrogen 3.011 N/A ALA 40.A N ALA 36.A O no hydrogen 3.103 N/A ASN 41.A N PRO 38.A O no hydrogen 3.101 N/A ASN 41.A ND2 PHE 31.A O no hydrogen 3.148 N/A ALA 42.A N PRO 38.A O no hydrogen 2.703 N/A SER 44.A N ASN 41.A O no hydrogen 3.194 N/A SER 44.A OG ASN 41.A O no hydrogen 3.000 N/A SER 44.A OG GLN 125.A O no hydrogen 2.681 N/A LEU 45.A N ALA 42.A O no hydrogen 3.096 N/A LYS 46.A N GLN 125.A OE1 no hydrogen 2.555 N/A TRP 50.A NE1 ILE 191.A O no hydrogen 3.053 N/A LEU 52.A N LEU 64.A O no hydrogen 2.926 N/A LYS 53.A N VAL 192.A O no hydrogen 3.155 N/A ILE 54.A N LEU 62.A O no hydrogen 3.121 N/A SER 55.A N ILE 194.A O no hydrogen 2.985 N/A GLU 57.A N LEU 196.A O no hydrogen 2.723 N/A VAL 58.A N GLY 56.A O no hydrogen 2.487 N/A ALA 59.A N GLU 107.A O no hydrogen 3.014 N/A LYS 60.A N ALA 106.A O no hydrogen 3.004 N/A LYS 60.A NZ GLU 107.A OE1 no hydrogen 3.356 N/A LEU 64.A N LEU 52.A O no hydrogen 2.838 N/A ASP 65.A N ASP 68.A OD1 no hydrogen 3.003 N/A HIS 66.A ND1 THR 47.A O no hydrogen 2.966 N/A ASP 68.A N ASP 65.A OD1 no hydrogen 2.804 N/A THR 70.A N ASP 67.A O no hydrogen 3.160 N/A THR 70.A OG1 ASP 67.A O no hydrogen 3.545 N/A ARG 71.A N ASP 67.A O no hydrogen 2.898 N/A ARG 71.A NH2 ASP 67.A OD1 no hydrogen 2.742 N/A ARG 72.A N ASP 68.A O no hydrogen 2.753 N/A GLU 76.A N GLY 96.A O no hydrogen 2.840 N/A GLU 77.A N SER 5.A O no hydrogen 2.935 N/A ARG 78.A N TRP 94.A O no hydrogen 2.944 N/A ARG 78.A NE GLU 76.A OE2 no hydrogen 3.375 N/A ARG 78.A NH1 TYR 80.A OH no hydrogen 2.750 N/A ARG 78.A NH1 PRO 154.A O no hydrogen 2.800 N/A ARG 78.A NH2 GLU 76.A OE2 no hydrogen 3.057 N/A ILE 79.A N TRP 10.A O no hydrogen 2.956 N/A TYR 80.A N VAL 92.A O no hydrogen 3.158 N/A TYR 80.A OH LEU 155.A O no hydrogen 2.486 N/A ARG 81.A N TYR 250.A OH no hydrogen 2.941 N/A MET 82.A N MET 90.A O no hydrogen 2.829 N/A ARG 83.A NE CYS 84.A O no hydrogen 2.656 N/A ARG 83.A NH1 CYS 84.A O no hydrogen 3.449 N/A ARG 83.A NH1 VAL 85.A O no hydrogen 3.537 N/A ARG 83.A NH1 GLN 230.A OE1 no hydrogen 2.349 N/A ARG 83.A NH2 GLU 233.A OE2 no hydrogen 2.982 N/A CYS 84.A N TRP 88.A O no hydrogen 3.150 N/A ALA 87.A N CYS 84.A O no hydrogen 3.093 N/A TRP 88.A NE1 GLU 86.A OE2 no hydrogen 2.798 N/A SER 89.A N ARG 234.A O no hydrogen 2.962 N/A SER 89.A OG GLU 233.A OE1 no hydrogen 3.105 N/A MET 90.A N MET 82.A O no hydrogen 2.924 N/A VAL 91.A N THR 17.A OG1 no hydrogen 2.882 N/A VAL 92.A N TYR 80.A O no hydrogen 2.963 N/A TRP 94.A N ARG 78.A O no hydrogen 3.009 N/A ILE 95.A N GLY 161.A O no hydrogen 2.548 N/A GLY 96.A N GLU 76.A O no hydrogen 2.954 N/A PHE 97.A N MET 158.A O no hydrogen 3.067 N/A LEU 99.A N THR 156.A O no hydrogen 3.115 N/A LYS 101.A N PRO 98.A O no hydrogen 3.081 N/A LEU 102.A N LEU 99.A O no hydrogen 2.981 N/A LEU 103.A N LEU 99.A O no hydrogen 2.959 N/A ALA 104.A N HIS 100.A O no hydrogen 2.869 N/A LEU 105.A N LYS 101.A O no hydrogen 3.448 N/A ALA 106.A N LEU 102.A O no hydrogen 3.365 N/A GLU 107.A N ALA 104.A O no hydrogen 3.057 N/A THR 109.A N GLU 57.A O no hydrogen 3.222 N/A THR 109.A OG1 GLU 57.A OE2 no hydrogen 2.894 N/A ASN 111.A N THR 109.A OG1 no hydrogen 3.308 N/A ALA 112.A N THR 109.A O no hydrogen 3.062 N/A LYS 113.A N THR 197.A O no hydrogen 3.093 N/A TYR 114.A N THR 197.A O no hydrogen 3.240 N/A VAL 115.A N LEU 146.A O no hydrogen 2.842 N/A ALA 116.A N LYS 195.A O no hydrogen 2.701 N/A PHE 117.A N GLU 144.A O no hydrogen 2.745 N/A GLU 118.A N SER 193.A O no hydrogen 2.966 N/A THR 119.A N TYR 142.A O no hydrogen 2.878 N/A THR 119.A OG1 TYR 142.A O no hydrogen 3.463 N/A THR 119.A OG1 LYS 189.A O no hydrogen 2.718 N/A ILE 120.A N SER 190.A O no hydrogen 3.089 N/A ALA 122.A N GLN 129.A OE1 no hydrogen 3.168 N/A GLN 125.A N PRO 123.A O no hydrogen 2.853 N/A MET 126.A N PRO 123.A O no hydrogen 3.147 N/A GLY 128.A N GLU 30.A O no hydrogen 2.698 N/A GLN 129.A N MET 126.A O no hydrogen 2.996 N/A GLN 129.A NE2 ILE 120.A O no hydrogen 3.583 N/A GLN 130.A N PRO 127.A O no hydrogen 2.829 N/A ASP 131.A N PRO 127.A O no hydrogen 3.315 N/A ILE 134.A N ASP 131.A OD2 no hydrogen 2.641 N/A GLY 135.A N ASP 131.A O no hydrogen 2.752 N/A GLY 137.A N ARG 132.A O no hydrogen 3.211 N/A TYR 140.A OH GLY 135.A O no hydrogen 2.600 N/A TYR 142.A OH PHE 185.A O no hydrogen 2.668 N/A VAL 143.A N THR 204.A OG1 no hydrogen 2.760 N/A GLU 144.A N PHE 117.A O no hydrogen 2.950 N/A GLY 145.A N GLU 144.A OE1 no hydrogen 2.923 N/A LEU 146.A N VAL 115.A O no hydrogen 2.957 N/A ARG 147.A N GLU 150.A OE1 no hydrogen 2.885 N/A ARG 147.A NE ASP 149.A OD1 no hydrogen 3.094 N/A ARG 147.A NH1 TYR 216.A OH no hydrogen 3.357 N/A ARG 147.A NH2 ASP 149.A OD1 no hydrogen 3.463 N/A ARG 147.A NH2 ASP 149.A OD2 no hydrogen 2.626 N/A ARG 147.A NH2 LEU 257.A O no hydrogen 2.999 N/A LEU 148.A N LYS 113.A O no hydrogen 2.908 N/A ALA 151.A N ARG 147.A O no hydrogen 2.977 N/A MET 152.A N LEU 148.A O no hydrogen 2.837 N/A HIS 153.A N GLU 150.A O no hydrogen 2.976 N/A HIS 153.A NE2 GLN 253.A O no hydrogen 2.724 N/A LEU 155.A N HIS 153.A ND1 no hydrogen 2.873 N/A THR 156.A N HIS 153.A O no hydrogen 2.995 N/A LEU 157.A N ILE 178.A O no hydrogen 3.118 N/A MET 158.A N PHE 97.A O no hydrogen 2.836 N/A THR 159.A N ARG 176.A O no hydrogen 2.676 N/A THR 159.A OG1 LEU 157.A O no hydrogen 3.209 N/A VAL 160.A N ILE 95.A O no hydrogen 2.883 N/A GLY 161.A N ILE 95.A O no hydrogen 2.973 N/A VAL 162.A N LYS 165.A O no hydrogen 2.915 N/A TYR 163.A N PRO 93.A O no hydrogen 3.066 N/A TYR 163.A OH THR 17.A O no hydrogen 2.975 N/A LYS 165.A N VAL 162.A O no hydrogen 3.450 N/A LEU 167.A N VAL 160.A O no hydrogen 3.038 N/A GLN 170.A N GLN 170.A OE1 no hydrogen 2.727 N/A GLN 170.A NE2 SER 23.A O no hydrogen 2.938 N/A ASN 171.A N PRO 168.A O no hydrogen 2.894 N/A ASN 171.A ND2 VAL 22.A O no hydrogen 2.951 N/A GLY 172.A N PRO 169.A O no hydrogen 2.721 N/A ARG 176.A N THR 159.A O no hydrogen 2.911 N/A ARG 176.A NE LEU 177.A O no hydrogen 2.891 N/A LEU 177.A N ILE 188.A O no hydrogen 2.836 N/A ILE 178.A N LEU 157.A O no hydrogen 3.148 N/A TRP 181.A NE1 TYR 258.A OH no hydrogen 2.784 N/A LYS 182.A N VAL 179.A O no hydrogen 2.948 N/A LYS 182.A NZ GLU 150.A OE2 no hydrogen 2.638 N/A LYS 182.A NZ TYR 216.A O no hydrogen 3.103 N/A LYS 182.A NZ ASN 218.A OD1 no hydrogen 2.783 N/A LYS 182.A NZ TYR 258.A OH no hydrogen 2.643 N/A TYR 183.A N ALA 217.A O no hydrogen 2.981 N/A GLY 184.A N ARG 83.A O no hydrogen 2.867 N/A LYS 186.A N TYR 183.A O no hydrogen 3.022 N/A LYS 186.A NZ GLU 144.A OE1 no hydrogen 2.699 N/A LYS 186.A NZ GLY 145.A O no hydrogen 2.747 N/A LYS 186.A NZ PHE 215.A O no hydrogen 2.757 N/A GLY 187.A N GLY 184.A O no hydrogen 2.789 N/A ILE 188.A N LYS 186.A O no hydrogen 2.868 N/A LYS 189.A NZ ASN 27.A O no hydrogen 2.758 N/A LYS 189.A NZ GLN 170.A O no hydrogen 3.083 N/A SER 190.A N GLY 172.A O no hydrogen 2.949 N/A SER 190.A OG ALA 173.A O no hydrogen 3.076 N/A ILE 191.A N VAL 175.A O no hydrogen 2.879 N/A VAL 192.A N GLU 118.A O no hydrogen 2.938 N/A ILE 194.A N LYS 53.A O no hydrogen 2.888 N/A LYS 195.A N ALA 116.A O no hydrogen 2.807 N/A LEU 196.A N SER 55.A O no hydrogen 3.226 N/A THR 197.A N TYR 114.A O no hydrogen 2.874 N/A THR 197.A OG1 GLU 199.A O no hydrogen 2.940 N/A ARG 198.A NH1 GLU 57.A OE1 no hydrogen 2.920 N/A THR 203.A OG1 GLU 144.A OE1 no hydrogen 3.323 N/A THR 204.A N VAL 143.A O no hydrogen 2.886 N/A THR 204.A OG1 VAL 143.A O no hydrogen 3.387 N/A ASN 206.A N THR 203.A O no hydrogen 3.196 N/A LEU 207.A N THR 203.A O no hydrogen 2.942 N/A ALA 208.A N THR 204.A O no hydrogen 3.183 N/A ALA 209.A N TRP 205.A O no hydrogen 3.233 N/A GLU 212.A N ALA 209.A O no hydrogen 2.676 N/A TYR 213.A N ALA 209.A O no hydrogen 3.099 N/A TYR 213.A OH HIS 225.A NE2 no hydrogen 3.197 N/A VAL 219.A N TRP 181.A O no hydrogen 2.980 N/A ASN 220.A N TYR 183.A OH no hydrogen 3.223 N/A TYR 222.A N ASN 220.A OD1 no hydrogen 2.675 N/A VAL 223.A N ASN 220.A O no hydrogen 3.375 N/A HIS 225.A N TRP 228.A O no hydrogen 2.916 N/A HIS 225.A NE2 GLU 212.A OE2 no hydrogen 3.066 N/A HIS 225.A NE2 TYR 213.A OH no hydrogen 3.197 N/A ARG 227.A N HIS 225.A ND1 no hydrogen 2.859 N/A ARG 227.A NE GLU 212.A OE1 no hydrogen 3.295 N/A ARG 227.A NH2 GLU 212.A OE2 no hydrogen 3.299 N/A TRP 228.A N HIS 225.A O no hydrogen 2.923 N/A TRP 228.A NE1 VAL 85.A O no hydrogen 3.128 N/A SER 229.A OG ASP 224.A OD2 no hydrogen 3.401 N/A GLN 230.A NE2 VAL 85.A O no hydrogen 3.322 N/A ALA 231.A N SER 229.A OG no hydrogen 3.261 N/A THR 232.A OG1 GLN 242.A O no hydrogen 3.444 N/A GLU 233.A N GLN 242.A O no hydrogen 2.752 N/A ARG 234.A N ALA 87.A O no hydrogen 2.716 N/A ARG 234.A NH1 TYR 25.A OH no hydrogen 3.172 N/A PHE 235.A N GLN 240.A O no hydrogen 3.005 N/A ILE 236.A N SER 89.A O no hydrogen 2.869 N/A ARG 241.A NH2 THR 232.A OG1 no hydrogen 3.108 N/A GLN 242.A N GLU 233.A O no hydrogen 3.038 N/A THR 244.A N ALA 231.A O no hydrogen 2.930 N/A THR 244.A OG1 GLN 230.A O no hydrogen 2.749 N/A THR 244.A OG1 GLU 233.A OE2 no hydrogen 3.254 N/A PHE 247.A N VAL 219.A O no hydrogen 2.786 N/A ASN 248.A N LEU 245.A O no hydrogen 2.936 N/A ASN 248.A ND2 ARG 81.A O no hydrogen 3.454 N/A ASN 248.A ND2 PRO 180.A O no hydrogen 2.944 N/A GLY 249.A N LEU 246.A O no hydrogen 3.039 N/A TYR 250.A N PHE 247.A O no hydrogen 2.821 N/A GLN 253.A N TYR 250.A O no hydrogen 2.934 N/A VAL 254.A N TYR 250.A O no hydrogen 2.966 N/A ALA 255.A N ALA 251.A O no hydrogen 2.715 N/A LEU 257.A N VAL 254.A O no hydrogen 2.929 N/A TYR 258.A N ALA 255.A O no hydrogen 3.100 N/A TYR 258.A OH GLU 150.A OE2 no hydrogen 2.333 N/A ARG 259.A N ALA 255.A O no hydrogen 3.088 N/A LEU 261.A N TYR 258.A O no hydrogen 3.261 N/A