Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7u5w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A ND1 TRP 2.A O no hydrogen 2.867 N/A GLY 3.A N ASN 8.A O no hydrogen 2.960 N/A GLY 5.A N ASN 8.A OD1 no hydrogen 2.977 N/A ASN 8.A ND2 HIS 1.A O no hydrogen 3.097 N/A HIS 12.A N GLY 9.A O no hydrogen 2.754 N/A HIS 12.A NE2 LYS 6.A O no hydrogen 2.981 N/A TRP 13.A N PRO 10.A O no hydrogen 3.432 N/A TRP 13.A NE1 GLY 3.A O no hydrogen 3.038 N/A TRP 13.A NE1 ASN 8.A O no hydrogen 3.102 N/A LYS 15.A N HIS 12.A O no hydrogen 3.141 N/A LYS 15.A NZ HIS 12.A ND1 no hydrogen 2.798 N/A ASP 16.A N TRP 13.A O no hydrogen 3.233 N/A LYS 20.A N PRO 17.A O no hydrogen 3.164 N/A GLY 21.A N ILE 18.A O no hydrogen 2.719 N/A ARG 23.A N GLU 192.A OE2 no hydrogen 2.916 N/A ARG 23.A NE GLY 183.A O no hydrogen 2.946 N/A ARG 23.A NH2 PRO 128.A O no hydrogen 3.045 N/A ARG 23.A NH2 GLY 183.A O no hydrogen 3.002 N/A GLN 24.A NE2 LEU 190.A O no hydrogen 3.121 N/A GLN 24.A NE2 GLU 192.A OE2 no hydrogen 2.997 N/A SER 25.A N SER 184.A OG no hydrogen 2.905 N/A SER 25.A OG TYR 181.A OH no hydrogen 2.780 N/A ILE 29.A N THR 100.A O no hydrogen 2.793 N/A THR 31.A N ASP 102.A OD2 no hydrogen 2.823 N/A THR 31.A OG1 ASP 102.A OD1 no hydrogen 2.660 N/A THR 31.A OG1 ASP 102.A OD2 no hydrogen 3.298 N/A HIS 32.A N ASP 30.A OD1 no hydrogen 2.866 N/A THR 33.A N ASP 30.A O no hydrogen 3.108 N/A THR 33.A N ASP 30.A OD1 no hydrogen 3.325 N/A THR 33.A OG1 ASP 30.A O no hydrogen 3.372 N/A ALA 34.A N ASP 30.A O no hydrogen 2.908 N/A LYS 35.A N ILE 241.A O no hydrogen 2.972 N/A ASP 37.A N ALA 243.A O no hydrogen 2.950 N/A SER 39.A N ASP 37.A OD1 no hydrogen 2.906 N/A SER 39.A OG ASP 37.A OD1 no hydrogen 2.745 N/A SER 39.A OG ASP 37.A OD2 no hydrogen 3.271 N/A LEU 40.A N ASP 37.A O no hydrogen 3.028 N/A SER 44.A N LYS 74.A O no hydrogen 2.900 N/A SER 46.A N VAL 72.A O no hydrogen 2.957 N/A TYR 47.A OH HIS 114.A NE2 no hydrogen 2.728 N/A ALA 50.A N TYR 47.A O no hydrogen 3.004 N/A THR 51.A OG1 GLN 49.A O no hydrogen 3.292 N/A LEU 53.A N GLU 64.A O no hydrogen 2.814 N/A ARG 54.A NH2 SER 162.A OG no hydrogen 2.964 N/A ILE 55.A N ALA 163.A O no hydrogen 2.988 N/A LEU 56.A N ASN 62.A O no hydrogen 2.913 N/A ASN 57.A N LYS 161.A O no hydrogen 2.937 N/A ASN 57.A ND2 ILE 156.A O no hydrogen 3.116 N/A ASN 57.A ND2 ASN 216.A O no hydrogen 3.198 N/A ASN 58.A N ALA 61.A O no hydrogen 3.251 N/A GLY 59.A N ASN 57.A OD1 no hydrogen 2.842 N/A HIS 60.A N ASN 58.A OD1 no hydrogen 2.868 N/A ALA 61.A N ASN 58.A OD1 no hydrogen 3.013 N/A GLU 64.A N ARG 54.A O no hydrogen 2.932 N/A ASP 65.A N THR 51.A O no hydrogen 2.857 N/A SER 67.A N ASP 65.A OD1 no hydrogen 2.898 N/A SER 67.A OG ASP 65.A OD1 no hydrogen 2.675 N/A VAL 72.A N SER 46.A O no hydrogen 3.011 N/A LEU 73.A N TYR 82.A O no hydrogen 2.841 N/A LYS 74.A N SER 44.A O no hydrogen 2.932 N/A LYS 74.A NZ SER 44.A OG no hydrogen 2.446 N/A GLY 76.A N PRO 42.A O no hydrogen 2.939 N/A LEU 78.A N GLY 75.A O no hydrogen 2.871 N/A THR 81.A OG1 THR 117.A OG1 no hydrogen 2.760 N/A TYR 82.A N LEU 73.A O no hydrogen 2.934 N/A TYR 82.A OH ASP 129.A O no hydrogen 3.212 N/A ARG 83.A N TRP 115.A O no hydrogen 2.837 N/A ARG 83.A NE ASP 69.A OD2 no hydrogen 2.502 N/A ARG 83.A NH1 ASP 66.A O no hydrogen 3.019 N/A ARG 83.A NH2 ASP 69.A OD2 no hydrogen 3.165 N/A LEU 84.A N ALA 71.A O no hydrogen 3.084 N/A ILE 85.A N VAL 113.A O no hydrogen 2.914 N/A HIS 87.A ND1 GLN 86.A OE1 no hydrogen 2.781 N/A HIS 88.A ND1 ASN 229.A O no hydrogen 2.747 N/A TRP 89.A N ASN 229.A OD1 no hydrogen 2.845 N/A TRP 89.A NE1 MET 226.A O no hydrogen 2.807 N/A SER 91.A N ASP 228.A OD1 no hydrogen 2.999 N/A SER 91.A OG ASP 228.A OD1 no hydrogen 3.454 N/A SER 91.A OG ASP 228.A OD2 no hydrogen 2.590 N/A GLN 95.A N LEU 92.A O no hydrogen 3.282 N/A GLN 95.A NE2 ASP 228.A OD1 no hydrogen 2.915 N/A GLN 95.A NE2 ASP 228.A OD2 no hydrogen 3.480 N/A SER 97.A N TYR 106.A O no hydrogen 2.988 N/A SER 97.A OG HIS 99.A O no hydrogen 2.807 N/A GLU 98.A N GLU 109.A OE1 no hydrogen 2.819 N/A HIS 99.A N GLU 109.A OE1 no hydrogen 2.817 N/A HIS 99.A ND1 GLU 109.A OE2 no hydrogen 2.802 N/A HIS 99.A NE2 TYR 181.A OH no hydrogen 2.646 N/A THR 100.A N VAL 27.A O no hydrogen 3.494 N/A THR 100.A OG1 ASP 28.A OD1 no hydrogen 2.649 N/A VAL 101.A N LYS 104.A O no hydrogen 3.115 N/A ASP 102.A N ILE 29.A O no hydrogen 2.829 N/A LYS 103.A N ASP 28.A OD1 no hydrogen 2.798 N/A LYS 104.A N VAL 101.A O no hydrogen 2.823 N/A TYR 106.A N SER 97.A OG no hydrogen 2.918 N/A ALA 107.A N LEU 137.A O no hydrogen 3.165 N/A GLU 109.A N HIS 88.A O no hydrogen 2.926 N/A LEU 110.A N ILE 136.A O no hydrogen 2.762 N/A HIS 111.A N HIS 87.A O no hydrogen 2.849 N/A HIS 111.A NE2 GLU 109.A OE2 no hydrogen 2.670 N/A LEU 112.A N LEU 134.A O no hydrogen 2.892 N/A VAL 113.A N GLN 86.A O no hydrogen 2.861 N/A HIS 114.A N ALA 132.A O no hydrogen 3.050 N/A HIS 114.A ND1 ALA 132.A O no hydrogen 2.957 N/A HIS 114.A NE2 TYR 47.A OH no hydrogen 2.728 N/A TRP 115.A N ARG 83.A O no hydrogen 2.939 N/A TRP 115.A NE1 ASP 66.A OD2 no hydrogen 2.734 N/A ASN 116.A N GLY 130.A O no hydrogen 2.782 N/A ASN 116.A ND2 ASP 129.A O no hydrogen 3.033 N/A THR 117.A N THR 81.A O no hydrogen 2.934 N/A THR 117.A OG1 THR 81.A O no hydrogen 3.112 N/A THR 117.A OG1 THR 81.A OG1 no hydrogen 2.760 N/A LYS 118.A N ASN 116.A OD1 no hydrogen 2.944 N/A LYS 118.A NZ TYR 119.A OH no hydrogen 3.193 N/A LYS 118.A NZ ASP 129.A OD2 no hydrogen 2.789 N/A TYR 119.A N ASN 116.A O no hydrogen 3.074 N/A TYR 119.A OH ASP 129.A OD1 no hydrogen 2.553 N/A TYR 119.A OH ASP 129.A OD2 no hydrogen 3.408 N/A LYS 123.A N ASP 121.A OD1 no hydrogen 2.866 N/A ALA 124.A N ASP 121.A O no hydrogen 2.891 N/A GLN 126.A N LYS 123.A O no hydrogen 3.150 N/A GLN 127.A N ALA 124.A O no hydrogen 2.989 N/A GLY 130.A N GLN 127.A O no hydrogen 3.062 N/A LEU 131.A N CYS 193.A O no hydrogen 2.839 N/A ALA 132.A N HIS 114.A O no hydrogen 2.895 N/A VAL 133.A N THR 195.A O no hydrogen 3.115 N/A LEU 134.A N LEU 112.A O no hydrogen 2.965 N/A GLY 135.A N ILE 197.A O no hydrogen 2.804 N/A ILE 136.A N LEU 110.A O no hydrogen 2.876 N/A LYS 138.A N ILE 203.A O no hydrogen 2.912 N/A GLY 140.A N VAL 205.A O no hydrogen 2.696 N/A LYS 143.A N GLN 209.A OE1 no hydrogen 2.983 N/A LYS 143.A NZ LEU 172.A O no hydrogen 3.166 N/A LEU 146.A N LYS 143.A O no hydrogen 3.008 N/A GLN 147.A N PRO 144.A O no hydrogen 3.052 N/A GLN 147.A NE2 ASP 151.A OD1 no hydrogen 2.870 N/A VAL 150.A N LEU 146.A O no hydrogen 3.044 N/A ASP 151.A N GLN 147.A O no hydrogen 2.855 N/A VAL 152.A N LYS 148.A O no hydrogen 3.290 N/A VAL 152.A N VAL 149.A O no hydrogen 3.156 N/A LEU 153.A N VAL 150.A O no hydrogen 3.269 N/A SER 155.A N VAL 152.A O no hydrogen 2.950 N/A SER 155.A OG VAL 152.A O no hydrogen 2.729 N/A ILE 156.A N LEU 153.A O no hydrogen 3.017 N/A LYS 159.A N ASN 217.A O no hydrogen 2.902 N/A GLY 160.A N ASN 57.A O no hydrogen 2.838 N/A LYS 161.A N THR 158.A O no hydrogen 3.070 N/A LYS 161.A NZ SER 155.A O no hydrogen 3.205 N/A ALA 163.A N ILE 55.A O no hydrogen 2.847 N/A ARG 169.A N ASP 167.A OD2 no hydrogen 2.910 N/A ARG 169.A NE ASP 167.A OD1 no hydrogen 3.133 N/A ARG 169.A NE ASP 167.A OD2 no hydrogen 2.999 N/A ARG 169.A NH1 ASP 48.A OD1 no hydrogen 3.028 N/A ARG 169.A NH2 ASP 48.A OD1 no hydrogen 3.539 N/A ARG 169.A NH2 ASP 167.A OD1 no hydrogen 2.999 N/A GLY 170.A N ASP 167.A O no hydrogen 3.151 N/A LEU 171.A N PRO 168.A O no hydrogen 3.029 N/A LEU 172.A N ARG 169.A O no hydrogen 3.318 N/A SER 175.A N GLU 201.A OE1 no hydrogen 2.905 N/A ASP 177.A N SER 175.A OG no hydrogen 3.017 N/A TYR 178.A N SER 244.A OG no hydrogen 2.933 N/A TYR 178.A OH LYS 41.A O no hydrogen 2.769 N/A TRP 179.A N VAL 198.A O no hydrogen 2.875 N/A THR 180.A N LYS 242.A O no hydrogen 2.777 N/A THR 180.A OG1 TRP 196.A O no hydrogen 2.761 N/A TYR 181.A N TRP 196.A O no hydrogen 3.237 N/A TYR 181.A OH SER 25.A OG no hydrogen 2.780 N/A TYR 181.A OH HIS 99.A NE2 no hydrogen 2.646 N/A GLY 183.A N VAL 194.A O no hydrogen 2.819 N/A SER 184.A N SER 25.A OG no hydrogen 2.929 N/A SER 184.A OG LEU 185.A O no hydrogen 2.736 N/A LEU 185.A N LEU 191.A O no hydrogen 2.888 N/A THR 186.A OG1 GLU 98.A OE1 no hydrogen 2.608 N/A THR 186.A OG1 GLU 98.A OE2 no hydrogen 3.420 N/A LEU 190.A N THR 187.A O no hydrogen 2.797 N/A CYS 193.A SG LEU 191.A O no hydrogen 3.685 N/A VAL 194.A N GLY 183.A O no hydrogen 3.181 N/A THR 195.A N LEU 131.A O no hydrogen 2.854 N/A TRP 196.A N TYR 181.A O no hydrogen 2.980 N/A TRP 196.A NE1 SER 184.A O no hydrogen 2.926 N/A ILE 197.A N VAL 133.A O no hydrogen 2.998 N/A VAL 198.A N TRP 179.A O no hydrogen 2.851 N/A LEU 199.A N GLY 135.A O no hydrogen 2.905 N/A LYS 200.A N ASP 177.A O no hydrogen 2.945 N/A VAL 205.A N LYS 138.A O no hydrogen 2.871 N/A SER 206.A N GLN 209.A OE1 no hydrogen 2.996 N/A GLN 209.A N SER 206.A OG no hydrogen 3.065 N/A GLN 209.A NE2 LYS 143.A O no hydrogen 2.964 N/A GLN 209.A NE2 GLN 147.A OE1 no hydrogen 2.861 N/A VAL 210.A N SER 206.A O no hydrogen 3.011 N/A LEU 211.A N SER 207.A O no hydrogen 2.947 N/A LYS 212.A N GLN 209.A O no hydrogen 3.137 N/A LYS 212.A NZ ASP 154.A OD1 no hydrogen 3.517 N/A LYS 212.A NZ ASP 154.A OD2 no hydrogen 2.940 N/A ARG 213.A NE GLY 90.A O no hydrogen 2.874 N/A ARG 213.A NH2 ASP 93.A OD1 no hydrogen 2.820 N/A LYS 214.A N LYS 212.A O no hydrogen 3.227 N/A ASN 216.A N LYS 157.A O no hydrogen 2.794 N/A ASN 217.A ND2 GLY 218.A O no hydrogen 2.992 N/A GLY 218.A N GLU 221.A OE2 no hydrogen 2.788 N/A GLU 221.A N GLY 218.A O no hydrogen 3.141 N/A GLU 224.A N ASN 217.A OD1 no hydrogen 2.684 N/A MET 226.A N LEU 215.A O no hydrogen 2.782 N/A VAL 227.A N LEU 225.A O no hydrogen 3.022 N/A ASN 229.A N TRP 89.A O no hydrogen 3.307 N/A ASN 229.A ND2 HIS 60.A O no hydrogen 2.979 N/A TRP 230.A NE1 ASP 228.A OD1 no hydrogen 2.977 N/A ARG 231.A N GLU 98.A OE2 no hydrogen 2.772 N/A ARG 231.A NH1 GLN 24.A OE1 no hydrogen 2.821 N/A ARG 231.A NH1 SER 25.A O no hydrogen 2.790 N/A ARG 231.A NH2 ALA 19.A O no hydrogen 3.228 N/A ARG 231.A NH2 GLN 24.A OE1 no hydrogen 3.267 N/A GLN 234.A N PRO 26.A O no hydrogen 2.777 N/A GLN 234.A NE2 PRO 232.A O no hydrogen 2.826 N/A LYS 237.A NZ GLY 21.A O no hydrogen 2.949 N/A ARG 239.A N LEU 236.A O no hydrogen 3.263 N/A ARG 239.A NE LEU 236.A O no hydrogen 2.835 N/A ARG 239.A NH1 GLN 24.A O no hydrogen 2.992 N/A ARG 239.A NH1 PRO 182.A O no hydrogen 2.883 N/A ARG 239.A NH2 GLN 24.A O no hydrogen 2.811 N/A ARG 239.A NH2 PRO 235.A O no hydrogen 2.901 N/A ARG 239.A NH2 LEU 236.A O no hydrogen 3.533 N/A LYS 242.A N THR 180.A O no hydrogen 2.950 N/A ALA 243.A N LYS 35.A O no hydrogen 2.883 N/A SER 244.A N TYR 178.A O no hydrogen 2.921 N/A SER 244.A OG TYR 178.A O no hydrogen 3.399 N/A