Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i0k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 8.A N LYS 5.A O no hydrogen 3.225 N/A ARG 11.A NE ASP 13.A OD2 no hydrogen 2.752 N/A ARG 11.A NH1 GLU 27.A O no hydrogen 2.917 N/A ARG 11.A NH2 ASP 13.A OD1 no hydrogen 2.780 N/A ARG 11.A NH2 ASP 13.A OD2 no hydrogen 3.254 N/A ARG 11.A NH2 VAL 256.A O no hydrogen 3.059 N/A THR 18.A N ALA 22.A O no hydrogen 2.732 N/A TRP 20.A N THR 18.A OG1 no hydrogen 3.190 N/A TRP 20.A NE1 PRO 236.A O no hydrogen 2.795 N/A LEU 21.A N THR 18.A O no hydrogen 2.753 N/A ALA 22.A N THR 18.A OG1 no hydrogen 2.987 N/A ILE 24.A N VAL 16.A O no hydrogen 2.816 N/A VAL 25.A N VAL 239.A O no hydrogen 2.843 N/A TRP 26.A N THR 29.A OG1 no hydrogen 3.412 N/A TRP 26.A NE1 LEU 15.A O no hydrogen 2.986 N/A GLU 27.A N GLU 243.A OE1 no hydrogen 2.715 N/A GLU 27.A N GLU 243.A OE2 no hydrogen 3.188 N/A THR 29.A N TRP 26.A O no hydrogen 3.053 N/A THR 29.A OG1 TRP 26.A O no hydrogen 2.594 N/A ILE 34.A N ASN 31.A OD1 no hydrogen 3.186 N/A LEU 35.A N ASN 31.A O no hydrogen 3.227 N/A ASN 36.A N ILE 32.A O no hydrogen 2.695 N/A GLU 37.A N ASP 33.A O no hydrogen 3.183 N/A GLN 38.A N ILE 34.A O no hydrogen 3.097 N/A PHE 39.A N LEU 35.A O no hydrogen 2.930 N/A ARG 40.A N ASN 36.A O no hydrogen 2.943 N/A ARG 40.A NH2 ASN 43.A OD1 no hydrogen 2.845 N/A LEU 41.A N GLU 37.A O no hydrogen 2.937 N/A GLN 42.A N PHE 39.A O no hydrogen 3.152 N/A ASN 43.A N ARG 40.A O no hydrogen 2.662 N/A THR 44.A N PHE 39.A O no hydrogen 3.184 N/A THR 44.A OG1 PHE 39.A O no hydrogen 2.843 N/A THR 45.A N ASP 126.A OD2 no hydrogen 2.807 N/A ILE 46.A N ARG 76.A O no hydrogen 2.936 N/A GLY 47.A N TYR 127.A O no hydrogen 2.794 N/A LEU 48.A N HIS 78.A O no hydrogen 2.969 N/A THR 49.A N VAL 129.A O no hydrogen 2.859 N/A THR 49.A OG1 VAL 129.A O no hydrogen 3.503 N/A VAL 50.A N TYR 80.A O no hydrogen 3.033 N/A ALA 52.A N PHE 82.A O no hydrogen 2.808 N/A LYS 54.A N ASP 84.A OD1 no hydrogen 2.920 N/A LYS 54.A N ASP 84.A OD2 no hydrogen 3.351 N/A TYR 56.A N ILE 53.A O no hydrogen 3.151 N/A VAL 57.A N LYS 54.A O no hydrogen 3.444 N/A ALA 58.A N LYS 55.A O no hydrogen 3.005 N/A PHE 59.A N TYR 56.A O no hydrogen 2.897 N/A LEU 60.A N VAL 57.A O no hydrogen 3.220 N/A LYS 61.A NZ GLU 65.A OE2 no hydrogen 2.886 N/A PHE 63.A N PHE 59.A O no hydrogen 3.128 N/A LEU 64.A N LEU 60.A O no hydrogen 2.858 N/A GLU 65.A N LYS 61.A O no hydrogen 2.913 N/A THR 66.A N LEU 62.A O no hydrogen 2.946 N/A THR 66.A OG1 LEU 62.A O no hydrogen 2.842 N/A THR 66.A OG1 PHE 63.A O no hydrogen 3.156 N/A ALA 67.A N PHE 63.A O no hydrogen 2.900 N/A GLU 68.A N LEU 64.A O no hydrogen 2.928 N/A HIS 70.A N THR 66.A O no hydrogen 2.982 N/A HIS 70.A N ALA 67.A O no hydrogen 3.232 N/A PHE 71.A N ALA 67.A O no hydrogen 2.828 N/A MET 72.A N VAL 141.A O no hydrogen 2.806 N/A HIS 75.A N MET 72.A O no hydrogen 3.044 N/A HIS 75.A NE2 ASN 36.A OD1 no hydrogen 2.660 N/A ARG 76.A NE THR 45.A OG1 no hydrogen 3.108 N/A VAL 77.A N GLY 97.A O no hydrogen 3.136 N/A HIS 78.A N ILE 46.A O no hydrogen 2.828 N/A HIS 78.A NE2 SER 101.A OG no hydrogen 2.713 N/A TYR 79.A N GLN 99.A O no hydrogen 2.707 N/A TYR 79.A OH GLU 68.A OE2 no hydrogen 2.447 N/A TYR 80.A N LEU 48.A O no hydrogen 2.741 N/A TYR 80.A OH GLU 124.A OE2 no hydrogen 2.625 N/A VAL 81.A N SER 101.A O no hydrogen 2.916 N/A PHE 82.A N VAL 50.A O no hydrogen 2.902 N/A THR 83.A N LEU 103.A O no hydrogen 3.071 N/A THR 83.A OG1 ALA 52.A O no hydrogen 2.630 N/A GLN 85.A N THR 83.A OG1 no hydrogen 2.886 N/A ALA 88.A N GLN 85.A O no hydrogen 2.939 N/A VAL 89.A N PRO 86.A O no hydrogen 3.290 N/A VAL 92.A N PRO 90.A O no hydrogen 3.085 N/A GLY 95.A N GLU 68.A OE1 no hydrogen 2.703 N/A ARG 98.A NE GLU 68.A OE2 no hydrogen 2.751 N/A ARG 98.A NE TYR 79.A OH no hydrogen 3.540 N/A ARG 98.A NH1 PHE 71.A O no hydrogen 2.797 N/A ARG 98.A NH1 TYR 79.A OH no hydrogen 2.778 N/A ARG 98.A NH2 PHE 71.A O no hydrogen 2.792 N/A GLN 99.A N VAL 77.A O no hydrogen 2.921 N/A SER 101.A N TYR 79.A O no hydrogen 2.866 N/A SER 101.A OG HIS 78.A NE2 no hydrogen 2.713 N/A LEU 103.A N VAL 81.A O no hydrogen 2.733 N/A VAL 105.A N THR 83.A O no hydrogen 2.808 N/A SER 106.A OG GLU 218.A OE1 no hydrogen 2.538 N/A ARG 109.A NH1 ASP 132.A OD1 no hydrogen 2.686 N/A GLU 111.A N MET 107.A O no hydrogen 3.285 N/A MET 112.A N ARG 108.A O no hydrogen 2.950 N/A ILE 113.A N ARG 109.A O no hydrogen 2.882 N/A SER 114.A N MET 110.A O no hydrogen 2.957 N/A ASP 115.A N GLU 111.A O no hydrogen 2.881 N/A PHE 116.A N MET 112.A O no hydrogen 3.123 N/A SER 117.A N ILE 113.A O no hydrogen 2.677 N/A SER 117.A OG ILE 113.A O no hydrogen 3.008 N/A SER 117.A OG SER 114.A O no hydrogen 3.191 N/A GLU 118.A N ASP 115.A O no hydrogen 3.185 N/A ARG 119.A N ASP 115.A O no hydrogen 3.208 N/A ARG 120.A NH2 SER 101.A OG no hydrogen 3.261 N/A ARG 120.A NH2 GLU 124.A OE1 no hydrogen 3.367 N/A ARG 120.A NH2 GLU 124.A OE2 no hydrogen 3.157 N/A PHE 121.A N PHE 116.A O no hydrogen 3.216 N/A GLU 124.A N PHE 121.A O no hydrogen 2.841 N/A ASP 126.A N THR 45.A O no hydrogen 2.713 N/A TYR 127.A N THR 45.A O no hydrogen 3.298 N/A LEU 128.A N GLY 193.A O no hydrogen 2.844 N/A VAL 129.A N GLY 47.A O no hydrogen 2.845 N/A SER 130.A N PHE 191.A O no hydrogen 2.789 N/A VAL 131.A N THR 49.A O no hydrogen 3.205 N/A ASP 132.A N ALA 189.A O no hydrogen 3.318 N/A MET 135.A N VAL 133.A O no hydrogen 2.880 N/A GLU 136.A N THR 263.A O no hydrogen 2.856 N/A PHE 137.A N THR 66.A OG1 no hydrogen 2.826 N/A ARG 138.A N ARG 261.A O no hydrogen 2.836 N/A ARG 138.A NE THR 263.A OG1 no hydrogen 3.158 N/A ASP 139.A N ARG 261.A O no hydrogen 3.338 N/A HIS 140.A N ASP 139.A OD1 no hydrogen 2.692 N/A HIS 140.A NE2 GLU 144.A OE2 no hydrogen 2.676 N/A VAL 141.A N HIS 70.A O no hydrogen 3.050 N/A GLY 142.A N GLU 144.A OE1 no hydrogen 2.762 N/A GLU 144.A N GLU 144.A OE2 no hydrogen 2.874 N/A ILE 145.A N GLY 142.A O no hydrogen 3.182 N/A LEU 146.A N VAL 143.A O no hydrogen 3.135 N/A THR 147.A OG1 THR 237.A OG1 no hydrogen 2.613 N/A LEU 149.A N THR 237.A OG1 no hydrogen 3.093 N/A PHE 150.A N GLY 192.A O no hydrogen 2.904 N/A THR 152.A OG1 PHE 190.A O no hydrogen 2.781 N/A LEU 153.A N LEU 240.A O no hydrogen 3.021 N/A HIS 154.A N TYR 185.A O no hydrogen 3.034 N/A SER 156.A N HIS 154.A ND1 no hydrogen 3.073 N/A PHE 157.A N HIS 154.A O no hydrogen 3.158 N/A SER 160.A N PHE 157.A O no hydrogen 2.927 N/A SER 160.A OG PHE 157.A O no hydrogen 3.379 N/A ARG 162.A NE GLY 182.A O no hydrogen 2.925 N/A ARG 162.A NH1 GLY 182.A O no hydrogen 2.984 N/A ALA 164.A N SER 161.A O no hydrogen 3.067 N/A PHE 165.A N ARG 162.A O no hydrogen 2.956 N/A THR 166.A OG1 TYR 185.A OH no hydrogen 3.208 N/A TYR 167.A OH PHE 184.A O no hydrogen 2.693 N/A ARG 169.A NH1 ILE 177.A O no hydrogen 2.847 N/A ARG 169.A NH2 PHE 165.A O no hydrogen 3.213 N/A ARG 170.A N GLU 168.A OE2 no hydrogen 2.969 N/A ARG 170.A NE GLU 168.A OE2 no hydrogen 3.040 N/A ARG 170.A NH2 GLU 168.A OE1 no hydrogen 2.838 N/A ARG 170.A NH2 GLU 218.A O no hydrogen 2.674 N/A SER 173.A N ARG 170.A O no hydrogen 2.998 N/A SER 173.A OG ASP 212.A OD1 no hydrogen 3.558 N/A SER 173.A OG ASP 212.A OD2 no hydrogen 2.490 N/A GLN 174.A N ASP 212.A OD1 no hydrogen 2.765 N/A ALA 175.A N SER 173.A OG no hydrogen 3.193 N/A TYR 176.A N SER 173.A O no hydrogen 2.860 N/A ILE 177.A N GLU 168.A O no hydrogen 2.899 N/A GLU 181.A N PRO 178.A O no hydrogen 3.232 N/A TYR 185.A OH GLU 224.A OE2 no hydrogen 2.643 N/A TYR 186.A N ASN 228.A OD1 no hydrogen 2.777 N/A MET 187.A N THR 152.A O no hydrogen 2.927 N/A GLY 188.A N GLU 224.A OE1 no hydrogen 2.694 N/A PHE 191.A N SER 130.A O no hydrogen 3.202 N/A GLY 192.A N PHE 150.A O no hydrogen 3.295 N/A GLY 193.A N LEU 128.A O no hydrogen 2.991 N/A SER 194.A N PRO 148.A O no hydrogen 2.900 N/A VAL 195.A N ASP 126.A O no hydrogen 3.255 N/A GLU 197.A N SER 194.A OG no hydrogen 3.188 N/A VAL 198.A N SER 194.A O no hydrogen 3.011 N/A GLN 199.A N VAL 195.A O no hydrogen 2.746 N/A GLN 199.A NE2 SER 117.A O no hydrogen 3.175 N/A ARG 200.A N GLN 196.A O no hydrogen 3.027 N/A ARG 200.A NH1 GLU 197.A OE2 no hydrogen 3.123 N/A LEU 201.A N GLU 197.A O no hydrogen 2.883 N/A THR 202.A N VAL 198.A O no hydrogen 2.995 N/A THR 202.A OG1 VAL 198.A O no hydrogen 2.846 N/A THR 202.A OG1 GLN 199.A O no hydrogen 3.384 N/A ARG 203.A N GLN 199.A O no hydrogen 2.993 N/A ARG 203.A NH1 GLU 118.A OE1 no hydrogen 3.029 N/A ALA 204.A N ARG 200.A O no hydrogen 2.935 N/A CYS 205.A N LEU 201.A O no hydrogen 2.897 N/A CYS 205.A SG LEU 201.A O no hydrogen 3.400 N/A HIS 206.A N THR 202.A O no hydrogen 2.851 N/A GLN 207.A N ARG 203.A O no hydrogen 2.899 N/A ALA 208.A N ALA 204.A O no hydrogen 2.921 N/A MET 209.A N CYS 205.A O no hydrogen 2.978 N/A MET 210.A N HIS 206.A O no hydrogen 3.236 N/A VAL 211.A N GLN 207.A O no hydrogen 3.176 N/A ASP 212.A N ALA 208.A O no hydrogen 2.983 N/A GLN 213.A N MET 209.A O no hydrogen 2.851 N/A ALA 214.A N MET 210.A O no hydrogen 2.822 N/A ASN 215.A N VAL 211.A O no hydrogen 3.242 N/A ASN 215.A N ASP 212.A O no hydrogen 3.181 N/A GLY 216.A N GLN 213.A O no hydrogen 2.869 N/A ILE 217.A N ASP 212.A O no hydrogen 2.914 N/A VAL 220.A N GLU 168.A OE1 no hydrogen 2.786 N/A TRP 221.A N SER 225.A OG no hydrogen 2.879 N/A HIS 222.A N ALA 219.A O no hydrogen 2.980 N/A GLU 224.A N TRP 221.A O no hydrogen 3.104 N/A SER 225.A N HIS 222.A O no hydrogen 2.987 N/A HIS 226.A N HIS 222.A O no hydrogen 3.443 N/A LEU 227.A N ASP 223.A O no hydrogen 2.761 N/A ASN 228.A N GLU 224.A O no hydrogen 3.070 N/A ASN 228.A ND2 TYR 186.A O no hydrogen 2.948 N/A ASN 228.A ND2 GLU 224.A O no hydrogen 2.809 N/A LYS 229.A N SER 225.A O no hydrogen 3.257 N/A LYS 229.A NZ GLN 174.A O no hydrogen 3.014 N/A LYS 229.A NZ TYR 176.A O no hydrogen 2.517 N/A TYR 230.A N HIS 226.A O no hydrogen 2.839 N/A LEU 231.A N LEU 227.A O no hydrogen 2.902 N/A LEU 232.A N ASN 228.A O no hydrogen 3.052 N/A ARG 233.A N LYS 229.A O no hydrogen 3.245 N/A ARG 233.A NH1 GLU 181.A OE1 no hydrogen 3.461 N/A ARG 233.A NH2 GLU 181.A OE2 no hydrogen 3.228 N/A HIS 234.A N TYR 230.A O no hydrogen 2.775 N/A LYS 235.A NZ ASP 183.A OD2 no hydrogen 2.738 N/A LYS 235.A NZ LEU 232.A O no hydrogen 2.770 N/A THR 237.A N LEU 149.A O no hydrogen 2.691 N/A THR 237.A OG1 THR 147.A OG1 no hydrogen 2.613 N/A THR 237.A OG1 LEU 149.A O no hydrogen 3.122 N/A LYS 238.A N LEU 149.A O no hydrogen 3.426 N/A LYS 238.A NZ GLU 144.A O no hydrogen 2.749 N/A LYS 238.A NZ LEU 146.A O no hydrogen 2.597 N/A VAL 239.A N PRO 23.A O no hydrogen 2.850 N/A LEU 240.A N GLY 151.A O no hydrogen 2.850 N/A SER 241.A N VAL 25.A O no hydrogen 3.110 N/A SER 241.A OG VAL 25.A O no hydrogen 2.616 N/A TYR 244.A N SER 241.A O no hydrogen 3.125 N/A TYR 244.A OH GLU 144.A OE1 no hydrogen 2.712 N/A LEU 245.A N PRO 242.A O no hydrogen 3.116 N/A TRP 246.A N PHE 262.A O no hydrogen 3.116 N/A TRP 246.A NE1 GLY 252.A O no hydrogen 2.674 N/A LEU 250.A N ASP 247.A OD1 no hydrogen 3.062 N/A LEU 251.A N ASP 247.A O no hydrogen 2.871 N/A GLY 252.A N GLN 248.A O no hydrogen 2.719 N/A TRP 253.A NE1 LEU 257.A O no hydrogen 2.653 N/A LEU 257.A N PRO 254.A O no hydrogen 3.186 N/A LYS 259.A NZ ASP 139.A OD1 no hydrogen 3.202 N/A ARG 261.A N GLU 243.A O no hydrogen 2.866 N/A ARG 261.A NE GLU 243.A OE2 no hydrogen 2.843 N/A ARG 261.A NH1 HIS 140.A O no hydrogen 2.900 N/A ARG 261.A NH2 GLU 27.A OE2 no hydrogen 2.759 N/A ARG 261.A NH2 GLU 243.A OE2 no hydrogen 2.832 N/A THR 263.A N GLU 136.A O no hydrogen 3.049 N/A ALA 264.A N TRP 246.A O no hydrogen 2.888 N/A VAL 265.A N ASP 134.A O no hydrogen 3.251 N/A