Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qq5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N ALA 28.A O no hydrogen 2.751 N/A ASN 4.A N ALA 1.A O no hydrogen 3.037 N/A GLN 6.A N MET 3.A O no hydrogen 2.950 N/A VAL 7.A N ASP 85.A OD2 no hydrogen 2.761 N/A CYS 8.A N THR 31.A O no hydrogen 2.721 N/A VAL 9.A N VAL 86.A O no hydrogen 2.885 N/A VAL 10.A N TYR 33.A O no hydrogen 2.759 N/A THR 11.A N VAL 88.A O no hydrogen 3.058 N/A THR 11.A OG1 VAL 88.A O no hydrogen 3.314 N/A THR 11.A OG1 ASN 90.A O no hydrogen 2.925 N/A ALA 13.A N THR 35.A O no hydrogen 3.171 N/A ARG 19.A N ARG 15.A O no hydrogen 3.278 N/A ARG 19.A NH2 GLU 48.A OE1 no hydrogen 3.001 N/A GLY 20.A N GLY 16.A O no hydrogen 3.012 N/A ILE 21.A N ILE 17.A O no hydrogen 2.981 N/A ALA 22.A N GLY 18.A O no hydrogen 2.979 N/A LEU 23.A N ARG 19.A O no hydrogen 3.002 N/A GLN 24.A N GLY 20.A O no hydrogen 3.133 N/A LEU 25.A N ILE 21.A O no hydrogen 2.926 N/A CYS 26.A N ALA 22.A O no hydrogen 2.954 N/A CYS 26.A SG ALA 22.A O no hydrogen 3.552 N/A CYS 26.A SG GLN 55.A O no hydrogen 3.473 N/A LYS 27.A N LEU 23.A O no hydrogen 2.918 N/A ALA 28.A N GLN 24.A O no hydrogen 2.933 N/A GLY 29.A N CYS 26.A O no hydrogen 2.826 N/A ALA 30.A N LEU 25.A O no hydrogen 3.153 N/A THR 31.A N GLN 6.A O no hydrogen 2.857 N/A VAL 32.A N GLN 55.A O no hydrogen 2.828 N/A TYR 33.A N CYS 8.A O no hydrogen 2.781 N/A TYR 33.A OH GLU 79.A OE1 no hydrogen 2.567 N/A ILE 34.A N VAL 57.A O no hydrogen 2.983 N/A THR 35.A N VAL 10.A O no hydrogen 3.093 N/A THR 41.A OG1 ASP 40.A OD2 no hydrogen 3.298 N/A LEU 42.A N HIS 38.A O no hydrogen 3.252 N/A ARG 43.A N LEU 39.A O no hydrogen 2.802 N/A VAL 44.A N ASP 40.A O no hydrogen 3.353 N/A VAL 44.A N THR 41.A O no hydrogen 3.084 N/A VAL 45.A N THR 41.A O no hydrogen 3.374 N/A ALA 46.A N LEU 42.A O no hydrogen 2.879 N/A GLN 47.A N ARG 43.A O no hydrogen 2.970 N/A GLU 48.A N VAL 44.A O no hydrogen 3.229 N/A ALA 49.A N VAL 45.A O no hydrogen 2.713 N/A GLN 50.A N ALA 46.A O no hydrogen 2.808 N/A SER 51.A N GLN 47.A O no hydrogen 3.224 N/A LEU 52.A N ALA 49.A O no hydrogen 2.842 N/A GLY 53.A N ALA 49.A O no hydrogen 3.277 N/A GLN 55.A N ALA 30.A O no hydrogen 3.100 N/A CYS 56.A SG VAL 32.A O no hydrogen 3.631 N/A VAL 57.A N VAL 32.A O no hydrogen 2.781 N/A VAL 59.A N ILE 34.A O no hydrogen 2.814 N/A CYS 61.A N GLY 36.A O no hydrogen 2.885 N/A ASP 62.A N GLU 68.A OE1 no hydrogen 2.947 N/A SER 64.A N ASP 62.A OD1 no hydrogen 3.007 N/A SER 64.A OG ASP 62.A OD1 no hydrogen 2.765 N/A SER 64.A OG ASP 62.A OD2 no hydrogen 3.213 N/A GLN 65.A N ASP 62.A O no hydrogen 2.866 N/A GLN 65.A NE2 SER 64.A OG no hydrogen 2.963 N/A GLU 68.A N GLN 65.A O no hydrogen 3.008 N/A VAL 69.A N GLN 65.A O no hydrogen 3.298 N/A ARG 70.A N GLU 66.A O no hydrogen 2.939 N/A SER 71.A N SER 67.A O no hydrogen 2.996 N/A LEU 72.A N GLU 68.A O no hydrogen 2.966 N/A PHE 73.A N VAL 69.A O no hydrogen 3.039 N/A GLU 74.A N ARG 70.A O no hydrogen 2.855 N/A GLN 75.A N SER 71.A O no hydrogen 3.031 N/A GLN 75.A NE2 GLU 79.A OE2 no hydrogen 2.874 N/A VAL 76.A N LEU 72.A O no hydrogen 3.183 N/A ASP 77.A N PHE 73.A O no hydrogen 2.930 N/A ARG 78.A N GLU 74.A O no hydrogen 2.877 N/A GLU 79.A N GLN 75.A O no hydrogen 2.757 N/A GLN 80.A N VAL 76.A O no hydrogen 2.804 N/A GLN 80.A NE2 TYR 33.A OH no hydrogen 3.019 N/A GLY 82.A N ASP 77.A O no hydrogen 2.870 N/A ARG 83.A N GLN 80.A O no hydrogen 3.225 N/A ARG 83.A NE ASP 85.A OD1 no hydrogen 3.253 N/A ARG 83.A NE ASP 85.A OD2 no hydrogen 2.833 N/A ARG 83.A NH2 ASP 85.A OD1 no hydrogen 2.946 N/A ARG 83.A NH2 ASP 85.A OD2 no hydrogen 3.442 N/A ASP 85.A N VAL 7.A O no hydrogen 2.840 N/A VAL 86.A N VAL 7.A O no hydrogen 3.185 N/A LEU 87.A N LEU 143.A O no hydrogen 2.882 N/A VAL 88.A N VAL 9.A O no hydrogen 2.798 N/A ASN 89.A N VAL 145.A O no hydrogen 2.725 N/A ASN 90.A N THR 11.A OG1 no hydrogen 2.901 N/A VAL 95.A N TYR 92.A O no hydrogen 3.088 N/A GLN 96.A NE2 ASN 100.A OD1 no hydrogen 2.954 N/A ILE 98.A N GLY 94.A O no hydrogen 2.996 N/A LEU 99.A N VAL 95.A O no hydrogen 2.978 N/A ASN 100.A N GLN 96.A O no hydrogen 2.858 N/A THR 101.A N THR 97.A O no hydrogen 3.130 N/A THR 101.A N ILE 98.A O no hydrogen 3.236 N/A THR 101.A OG1 THR 97.A O no hydrogen 2.899 N/A THR 101.A OG1 ILE 98.A O no hydrogen 3.299 N/A ARG 102.A N LEU 99.A O no hydrogen 3.233 N/A LYS 104.A N THR 101.A O no hydrogen 2.875 N/A ALA 105.A N GLU 108.A OE1 no hydrogen 2.810 N/A GLU 108.A N ALA 105.A O no hydrogen 2.802 N/A THR 109.A N ALA 105.A O no hydrogen 3.163 N/A THR 109.A OG1 ALA 105.A O no hydrogen 3.333 N/A THR 109.A OG1 PHE 106.A O no hydrogen 3.387 N/A MET 113.A N PRO 110.A O no hydrogen 3.074 N/A TRP 114.A N ALA 111.A O no hydrogen 3.315 N/A ASP 115.A N SER 112.A O no hydrogen 2.832 N/A ASP 116.A N MET 113.A O no hydrogen 3.060 N/A ILE 117.A N TRP 114.A O no hydrogen 3.153 N/A ASN 118.A N TRP 114.A O no hydrogen 2.766 N/A ASN 118.A ND2 PRO 160.A O no hydrogen 2.983 N/A LEU 122.A N ASN 119.A O no hydrogen 3.219 N/A ARG 123.A N ASN 118.A O no hydrogen 3.387 N/A ARG 123.A NH1 SER 64.A O no hydrogen 2.782 N/A ARG 123.A NH1 ASN 119.A OD1 no hydrogen 2.878 N/A GLY 124.A N ASN 119.A O no hydrogen 2.851 N/A TYR 126.A N LEU 122.A O no hydrogen 3.134 N/A PHE 127.A N ARG 123.A O no hydrogen 3.108 N/A CYS 128.A N GLY 124.A O no hydrogen 2.904 N/A CYS 128.A SG GLY 124.A O no hydrogen 3.375 N/A SER 129.A N HIS 125.A O no hydrogen 2.926 N/A SER 129.A OG ASN 89.A OD1 no hydrogen 3.021 N/A SER 129.A OG HIS 125.A O no hydrogen 2.938 N/A VAL 130.A N TYR 126.A O no hydrogen 2.953 N/A TYR 131.A N PHE 127.A O no hydrogen 3.162 N/A TYR 131.A OH GLU 66.A OE2 no hydrogen 2.623 N/A GLY 132.A N CYS 128.A O no hydrogen 2.876 N/A ALA 133.A N SER 129.A O no hydrogen 2.857 N/A ARG 134.A N VAL 130.A O no hydrogen 3.062 N/A LEU 135.A N GLY 132.A O no hydrogen 2.947 N/A MET 136.A N GLY 132.A O no hydrogen 3.023 N/A VAL 137.A N ALA 133.A O no hydrogen 2.891 N/A ALA 139.A N MET 136.A O no hydrogen 2.922 N/A GLY 140.A N VAL 137.A O no hydrogen 3.052 N/A LEU 143.A N ASP 85.A O no hydrogen 2.849 N/A ILE 144.A N SER 185.A O no hydrogen 2.882 N/A VAL 145.A N LEU 87.A O no hydrogen 2.757 N/A VAL 146.A N VAL 187.A O no hydrogen 2.906 N/A ILE 147.A N ASN 89.A O no hydrogen 3.082 N/A SER 148.A N LEU 189.A O no hydrogen 2.847 N/A SER 148.A OG LYS 165.A O no hydrogen 3.367 N/A SER 148.A OG ASP 169.A OD1 no hydrogen 2.888 N/A SER 149.A OG TYR 161.A OH no hydrogen 2.825 N/A GLY 151.A N SER 149.A OG no hydrogen 3.043 N/A SER 152.A N SER 149.A O no hydrogen 2.972 N/A SER 152.A OG SER 149.A O no hydrogen 3.182 N/A SER 152.A OG ASP 169.A OD2 no hydrogen 2.583 N/A LEU 153.A N PRO 150.A O no hydrogen 2.815 N/A ASN 158.A N MET 156.A O no hydrogen 2.759 N/A TYR 161.A N ASN 158.A OD1 no hydrogen 2.828 N/A TYR 161.A OH SER 149.A OG no hydrogen 2.825 N/A GLY 162.A N ASN 158.A O no hydrogen 3.230 N/A VAL 163.A N VAL 159.A O no hydrogen 2.957 N/A GLY 164.A N PRO 160.A O no hydrogen 2.950 N/A LYS 165.A N TYR 161.A O no hydrogen 2.928 N/A ALA 166.A N GLY 162.A O no hydrogen 2.952 N/A ALA 167.A N VAL 163.A O no hydrogen 2.936 N/A CYS 168.A N GLY 164.A O no hydrogen 2.840 N/A CYS 168.A SG GLY 121.A O no hydrogen 3.726 N/A CYS 168.A SG GLY 164.A O no hydrogen 3.253 N/A ASP 169.A N LYS 165.A O no hydrogen 3.032 N/A LYS 170.A N ALA 166.A O no hydrogen 3.099 N/A LYS 170.A NZ ASP 174.A OD1 no hydrogen 3.285 N/A LYS 170.A NZ ASP 174.A OD2 no hydrogen 2.618 N/A LEU 171.A N ALA 167.A O no hydrogen 2.819 N/A ALA 172.A N CYS 168.A O no hydrogen 3.031 N/A ALA 173.A N ASP 169.A O no hydrogen 3.107 N/A ASP 174.A N LYS 170.A O no hydrogen 2.788 N/A CYS 175.A N LEU 171.A O no hydrogen 2.978 N/A CYS 175.A SG LEU 171.A O no hydrogen 3.258 N/A ALA 176.A N ALA 172.A O no hydrogen 2.944 N/A HIS 177.A N ALA 173.A O no hydrogen 2.980 N/A GLU 178.A N ASP 174.A O no hydrogen 3.292 N/A LEU 179.A N CYS 175.A O no hydrogen 2.896 N/A ARG 180.A N ALA 176.A O no hydrogen 2.959 N/A ARG 180.A NH1 LEU 222.A O no hydrogen 3.108 N/A ARG 180.A NH2 SER 225.A O no hydrogen 2.908 N/A HIS 182.A N LEU 179.A O no hydrogen 2.924 N/A GLY 183.A N ARG 180.A O no hydrogen 2.977 N/A VAL 184.A N LEU 179.A O no hydrogen 3.419 N/A SER 185.A N GLY 142.A O no hydrogen 2.892 N/A CYS 186.A N SER 225.A OG no hydrogen 2.909 N/A CYS 186.A SG ILE 144.A O no hydrogen 3.719 N/A CYS 186.A SG ALA 172.A O no hydrogen 3.548 N/A VAL 187.A N ILE 144.A O no hydrogen 2.877 N/A SER 188.A N LYS 227.A O no hydrogen 2.928 N/A SER 188.A OG ASP 169.A OD1 no hydrogen 2.641 N/A LEU 189.A N VAL 146.A O no hydrogen 2.804 N/A TRP 190.A N LEU 229.A O no hydrogen 2.934 N/A TRP 190.A NE1 ASP 169.A OD1 no hydrogen 3.222 N/A LEU 198.A N GLN 195.A O no hydrogen 3.095 N/A SER 201.A OG VAL 194.A O no hydrogen 2.687 N/A GLU 203.A N SER 200.A OG no hydrogen 2.889 N/A THR 204.A N SER 200.A O no hydrogen 2.848 N/A THR 204.A OG1 SER 200.A O no hydrogen 2.609 N/A THR 205.A N SER 201.A O no hydrogen 2.805 N/A THR 205.A OG1 ALA 202.A O no hydrogen 3.025 N/A GLU 206.A N ALA 202.A O no hydrogen 3.289 N/A LEU 207.A N GLU 203.A O no hydrogen 2.957 N/A SER 208.A N THR 204.A O no hydrogen 2.953 N/A GLY 209.A N THR 205.A O no hydrogen 3.216 N/A LYS 210.A N GLU 206.A O no hydrogen 2.987 N/A CYS 211.A N LEU 207.A O no hydrogen 2.923 N/A CYS 211.A SG LEU 207.A O no hydrogen 3.383 N/A CYS 211.A SG SER 231.A O no hydrogen 3.464 N/A VAL 212.A N SER 208.A O no hydrogen 3.051 N/A VAL 213.A N GLY 209.A O no hydrogen 2.996 N/A ALA 214.A N LYS 210.A O no hydrogen 2.909 N/A LEU 215.A N CYS 211.A O no hydrogen 2.809 N/A ALA 216.A N VAL 212.A O no hydrogen 2.844 N/A THR 217.A N ALA 214.A O no hydrogen 3.218 N/A THR 217.A OG1 VAL 213.A O no hydrogen 2.831 N/A THR 217.A OG1 ALA 214.A O no hydrogen 3.345 N/A ASP 218.A N LEU 215.A O no hydrogen 3.273 N/A ASN 220.A N ASP 218.A OD1 no hydrogen 2.799 N/A ILE 221.A N ASP 218.A O no hydrogen 3.117 N/A SER 223.A N ASN 220.A O no hydrogen 3.011 N/A SER 223.A OG ASN 220.A O no hydrogen 2.721 N/A LEU 224.A N ILE 221.A O no hydrogen 2.898 N/A SER 225.A N LEU 222.A O no hydrogen 3.106 N/A SER 225.A OG CYS 186.A O no hydrogen 3.396 N/A GLY 226.A N CYS 186.A O no hydrogen 2.702 N/A LYS 227.A N LEU 224.A O no hydrogen 3.048 N/A LEU 229.A N SER 188.A O no hydrogen 2.761 N/A SER 231.A N TRP 190.A O no hydrogen 2.981 N/A SER 231.A OG PRO 191.A O no hydrogen 3.420 N/A LEU 234.A N PRO 230.A O no hydrogen 3.340 N/A ALA 235.A N SER 231.A O no hydrogen 3.049 N/A ARG 236.A N CYS 232.A O no hydrogen 3.370 N/A ARG 237.A N ASP 233.A O no hydrogen 2.841 N/A ARG 237.A NE ASP 218.A OD2 no hydrogen 3.243 N/A ARG 237.A NE TYR 238.A OH no hydrogen 3.082 N/A ARG 237.A NH2 ASP 218.A OD2 no hydrogen 2.751 N/A TYR 238.A N LEU 234.A O no hydrogen 2.761 N/A TYR 238.A OH ASP 218.A OD2 no hydrogen 2.550 N/A