Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5jnc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A ND1 TRP 5.A O no hydrogen 2.696 N/A CYS 6.A N LEU 19H.A O no hydrogen 2.875 N/A CYS 6.A SG TYR 7.A O no hydrogen 3.477 N/A TYR 7.A N GLN 10.A OE1 no hydrogen 2.856 N/A GLN 10.A N TYR 7.A O no hydrogen 2.968 N/A ALA 11.A N TYR 7.A O no hydrogen 3.491 N/A LYS 23.A N VAL 20.A O no hydrogen 2.826 N/A TRP 24.A N PRO 21.A O no hydrogen 3.068 N/A TRP 24.A NE1 CYS 6.A O no hydrogen 3.075 N/A ASN 27.A N THR 203.A O no hydrogen 2.864 N/A ASN 27.A ND2 THR 203.A O no hydrogen 3.602 N/A ASN 27.A ND2 ASP 205.A OD1 no hydrogen 2.977 N/A CYS 28.A N GLY 25.A O no hydrogen 3.020 N/A CYS 28.A SG GLY 25.A O no hydrogen 3.160 N/A GLN 29.A NE2 VAL 22.A O no hydrogen 3.159 N/A GLN 29.A NE2 TRP 24.A O no hydrogen 3.153 N/A LYS 30.A N ASN 27.A O no hydrogen 3.048 N/A LYS 30.A NZ ASN 27.A OD1 no hydrogen 2.824 N/A ARG 32.A N GLU 206.A OE2 no hydrogen 2.927 N/A ARG 32.A NH1.A GLU 206.A OE1 no hydrogen 3.568 N/A GLN 33.A NE2 CYS 204.A O no hydrogen 3.250 N/A GLN 33.A NE2 GLU 206.A OE2 no hydrogen 2.866 N/A SER 34.A N SER 198.A OG no hydrogen 3.000 N/A SER 34.A OG TYR 195.A OH no hydrogen 2.734 N/A SER 34.A OG SER 198.A O no hydrogen 3.486 N/A ILE 38.A N SER 111.A O no hydrogen 2.850 N/A THR 40.A N ASP 113.A OD1 no hydrogen 2.749 N/A THR 40.A OG1 ASP 113.A OD1 no hydrogen 3.168 N/A THR 40.A OG1 ASP 113.A OD2 no hydrogen 2.621 N/A LYS 42.A N VAL 39.A O no hydrogen 3.027 N/A ALA 43.A N VAL 39.A O no hydrogen 3.290 N/A ALA 43.A N THR 40.A O no hydrogen 3.307 N/A ASP 46.A N LYS 258.A O no hydrogen 2.959 N/A LYS 48.A N ASP 46.A OD1 no hydrogen 2.811 N/A LEU 49.A N ASP 46.A O no hydrogen 3.089 N/A ARG 51.A NE PHE 52.A O no hydrogen 3.165 N/A ARG 51.A NH2 PHE 52.A O no hydrogen 3.352 N/A PHE 53.A N SER 83.A O no hydrogen 2.724 N/A SER 55.A N SER 81.A O no hydrogen 2.739 N/A TYR 57.A OH HIS 125.A NE2 no hydrogen 2.749 N/A LYS 60.A NZ ASP 181.A OD2 no hydrogen 2.744 N/A GLN 61.A N SER 177.A O no hydrogen 2.917 N/A TRP 63.A NE1 SER 177.A O no hydrogen 3.049 N/A VAL 65.A N THR 172.A O no hydrogen 2.918 N/A GLN 66.A N MET 73.A O no hydrogen 2.936 N/A ASN 67.A N MET 170.A O no hydrogen 2.983 N/A ASN 67.A ND2 ILE 165.A O no hydrogen 3.164 N/A ASN 67.A ND2 TYR 232.A O no hydrogen 3.211 N/A ASN 68.A N SER 71.A O no hydrogen 3.154 N/A GLY 69.A N ASN 67.A OD1 no hydrogen 2.857 N/A HIS 70.A N ASN 68.A OD1 no hydrogen 2.946 N/A SER 71.A N ASN 68.A OD1 no hydrogen 2.914 N/A SER 71.A OG VAL 72.A O no hydrogen 3.275 N/A SER 71.A OG LEU 98.A O no hydrogen 2.639 N/A MET 73.A N GLN 66.A O no hydrogen 2.922 N/A MET 74.A N LEU 96.A O no hydrogen 2.796 N/A LEU 75.A N THR 64.A O no hydrogen 2.965 N/A LEU 76.A N LYS 94.A O no hydrogen 2.884 N/A ASN 78.A N ALA 93.A O no hydrogen 2.885 N/A LYS 79.A N LEU 76.A O no hydrogen 2.869 N/A SER 81.A N SER 55.A O no hydrogen 2.861 N/A ILE 82.A N TYR 91.A O no hydrogen 3.007 N/A SER 83.A N PHE 53.A O no hydrogen 2.972 N/A GLY 85.A N ARG 51.A O no hydrogen 2.993 N/A LEU 87.A N GLY 84.A O no hydrogen 3.071 N/A TYR 91.A N ILE 82.A O no hydrogen 2.915 N/A TYR 91.A OH ASP 136.A O no hydrogen 2.487 N/A GLN 92.A N GLU 126.A O no hydrogen 2.856 N/A ALA 93.A N ALA 80.A O no hydrogen 2.740 N/A LYS 94.A N VAL 124.A O no hydrogen 2.822 N/A LYS 94.A NZ ASN 78.A OD1 no hydrogen 2.638 N/A GLN 95.A N VAL 124.A O no hydrogen 3.441 N/A LEU 96.A N MET 74.A O no hydrogen 2.989 N/A HIS 97.A N HIS 122.A O no hydrogen 2.865 N/A HIS 97.A ND1 GLN 95.A OE1 no hydrogen 2.545 N/A LEU 98.A N SER 71.A OG no hydrogen 3.204 N/A HIS 99.A N GLU 120.A O no hydrogen 2.957 N/A HIS 99.A ND1 ASN 244.A O no hydrogen 2.621 N/A TRP 100.A N ASN 244.A OD1 no hydrogen 2.935 N/A TRP 100.A NE1 MET 241.A O no hydrogen 2.703 N/A SER 101.A OG ASP 102.A OD1 no hydrogen 3.454 N/A SER 101.A OG ASP 243.A OD1 no hydrogen 2.696 N/A ASP 102.A N SER 101.A OG no hydrogen 2.643 N/A LYS 106.A N LEU 103.A O no hydrogen 3.307 N/A SER 108.A N PHE 117.A O no hydrogen 2.897 N/A SER 108.A OG HIS 110.A O no hydrogen 2.581 N/A GLU 109.A N GLU 120.A OE1 no hydrogen 2.764 N/A HIS 110.A N GLU 120.A OE1 no hydrogen 2.692 N/A HIS 110.A ND1 GLU 120.A OE2 no hydrogen 2.683 N/A HIS 110.A NE2 TYR 195.A OH no hydrogen 2.664 N/A SER 111.A N ILE 36.A O no hydrogen 3.324 N/A SER 111.A OG ASN 37.A OD1 no hydrogen 2.682 N/A LEU 112.A N GLU 115.A O no hydrogen 3.049 N/A ASP 113.A N ILE 38.A O no hydrogen 2.808 N/A GLY 114.A N ASN 37.A OD1 no hydrogen 2.867 N/A GLU 115.A N LEU 112.A O no hydrogen 2.969 N/A HIS 116.A ND1 SER 108.A O no hydrogen 3.316 N/A PHE 117.A N SER 108.A OG no hydrogen 2.861 N/A ALA 118.A N VAL 145.A O no hydrogen 2.799 N/A MET 119.A N VAL 145.A O no hydrogen 3.375 N/A GLU 120.A N HIS 99.A O no hydrogen 2.920 N/A MET 121.A N PHE 143.A O no hydrogen 2.776 N/A HIS 122.A N HIS 97.A O no hydrogen 2.887 N/A HIS 122.A NE2 GLU 120.A OE2 no hydrogen 2.610 N/A ILE 123.A N LEU 141.A O no hydrogen 2.892 N/A VAL 124.A N GLN 95.A O no hydrogen 2.710 N/A HIS 125.A N ALA 139.A O no hydrogen 2.825 N/A HIS 125.A ND1 ALA 139.A O no hydrogen 3.252 N/A HIS 125.A NE2 TYR 57.A OH no hydrogen 2.749 N/A GLU 126.A N GLN 92.A O no hydrogen 2.880 N/A LYS 127.A N GLU 137.A O no hydrogen 2.809 N/A LYS 127.A NZ ASP 136.A OD1 no hydrogen 2.861 N/A GLU 128.A N PRO 90.A O no hydrogen 2.936 N/A LYS 129.A NZ GLU 137.A OE2 no hydrogen 2.871 N/A GLU 137.A N PRO 134.A O no hydrogen 3.403 N/A ILE 138.A N LYS 207.A O no hydrogen 2.893 N/A ALA 139.A N HIS 125.A O no hydrogen 2.992 N/A VAL 140.A N VAL 209.A O no hydrogen 3.276 N/A LEU 141.A N ILE 123.A O no hydrogen 2.918 N/A ALA 142.A N THR 211.A O no hydrogen 2.795 N/A PHE 143.A N MET 121.A O no hydrogen 2.842 N/A VAL 145.A N MET 119.A O no hydrogen 2.920 N/A GLU 146.A N ILE 217.A O no hydrogen 2.798 N/A GLY 148.A N LEU 219.A O no hydrogen 2.895 N/A ASN 152.A N GLN 223.A OE1 no hydrogen 2.944 N/A ASN 152.A ND2 GLN 218.A O no hydrogen 2.959 N/A PHE 155.A N ASN 152.A O no hydrogen 3.325 N/A PHE 155.A N ASN 152.A OD1 no hydrogen 3.130 N/A GLN 156.A N GLU 153.A O no hydrogen 3.080 N/A VAL 159.A N PHE 155.A O no hydrogen 2.960 N/A GLU 160.A N GLN 156.A O no hydrogen 2.838 N/A ALA 161.A N PRO 157.A O no hydrogen 3.082 N/A LEU 162.A N VAL 159.A O no hydrogen 3.218 N/A ASN 164.A N ALA 161.A O no hydrogen 2.847 N/A ILE 165.A N LEU 162.A O no hydrogen 3.149 N/A GLU 169.A N ASN 67.A O no hydrogen 2.723 N/A MET 170.A N LYS 167.A O no hydrogen 3.256 N/A THR 172.A N VAL 65.A O no hydrogen 2.899 N/A MET 174.A N TRP 63.A O no hydrogen 2.816 N/A SER 177.A N GLN 61.A O no hydrogen 2.764 N/A SER 177.A OG ALA 175.A O no hydrogen 3.290 N/A SER 178.A N ASP 181.A OD2 no hydrogen 3.016 N/A LEU 180.A N TYR 57.A O no hydrogen 2.814 N/A ASP 181.A N SER 178.A O no hydrogen 3.245 N/A ASP 181.A N SER 178.A OG no hydrogen 3.181 N/A LEU 182.A N LEU 179.A O no hydrogen 2.929 N/A LEU 183.A N LEU 180.A O no hydrogen 3.107 N/A LYS 188.A N LYS 185.A O no hydrogen 2.795 N/A LEU 189.A N GLU 186A.A O no hydrogen 2.860 N/A TYR 192.A N SER 259.A OG no hydrogen 2.926 N/A TYR 192.A OH GLY 50.A O no hydrogen 2.642 N/A PHE 193.A N VAL 212.A O no hydrogen 2.811 N/A ARG 194.A N ILE 257.A O no hydrogen 2.786 N/A ARG 194.A NE TRP 210.A O no hydrogen 3.008 N/A ARG 194.A NE THR 211.A OG1 no hydrogen 3.281 N/A ARG 194.A NH1 GLY 85.A O no hydrogen 2.783 N/A ARG 194.A NH2 GLY 85.A O no hydrogen 2.690 N/A ARG 194.A NH2 THR 211.A OG1 no hydrogen 2.769 N/A TYR 195.A N TRP 210.A O no hydrogen 3.291 N/A TYR 195.A OH SER 34.A OG no hydrogen 2.734 N/A TYR 195.A OH HIS 110.A NE2 no hydrogen 2.664 N/A GLY 197.A N VAL 208.A O no hydrogen 2.868 N/A SER 198.A N SER 34.A OG no hydrogen 3.149 N/A SER 198.A OG LEU 199.A O no hydrogen 2.807 N/A LEU 199.A N ASP 205.A O no hydrogen 3.127 N/A THR 200.A OG1 GLU 109.A OE1 no hydrogen 2.641 N/A THR 200.A OG1 GLU 109.A OE2 no hydrogen 3.450 N/A THR 203.A OG1 ASP 205.A OD1 no hydrogen 2.599 N/A CYS 204.A N THR 201.A O no hydrogen 2.790 N/A LYS 207.A NZ ASP 205.A OD2 no hydrogen 3.466 N/A VAL 208.A N GLY 197.A O no hydrogen 3.167 N/A VAL 209.A N ILE 138.A O no hydrogen 2.766 N/A TRP 210.A N TYR 195.A O no hydrogen 2.804 N/A TRP 210.A NE1 SER 198.A O no hydrogen 2.973 N/A THR 211.A N VAL 140.A O no hydrogen 3.142 N/A VAL 212.A N PHE 193.A O no hydrogen 2.930 N/A PHE 213.A N ALA 142.A O no hydrogen 3.107 N/A ARG 214.A N HIS 191.A O no hydrogen 3.086 N/A ILE 217.A N LEU 144.A O no hydrogen 2.714 N/A GLN 218.A NE2 GLU 146.A OE1 no hydrogen 2.732 N/A LEU 219.A N GLU 146.A O no hydrogen 3.107 N/A HIS 220.A N GLN 223.A OE1 no hydrogen 3.098 N/A ARG 221.A N GLY 148.A O no hydrogen 2.924 N/A GLU 222.A N HIS 220.A ND1 no hydrogen 3.096 N/A GLN 223.A NE2 ASN 152.A O no hydrogen 2.842 N/A GLN 223.A NE2 GLN 156.A OE1 no hydrogen 2.656 N/A ILE 224.A N HIS 220.A O no hydrogen 3.112 N/A LEU 225.A N ARG 221.A O no hydrogen 2.887 N/A ALA 226.A N GLU 222.A O no hydrogen 3.059 N/A PHE 227.A N ILE 224.A O no hydrogen 3.030 N/A SER 228.A OG LEU 225.A O no hydrogen 3.133 N/A LYS 230.A N ALA 226.A O no hydrogen 3.026 N/A LEU 231.A N PHE 227.A O no hydrogen 3.203 N/A TYR 232.A N PRO 166.A O no hydrogen 2.822 N/A TYR 233.A N VAL 239.A O no hydrogen 3.040 N/A TYR 233.A OH LYS 242.A O no hydrogen 2.592 N/A GLN 237.A N ASP 234.A O no hydrogen 3.017 N/A THR 238.A N ASP 234.A OD1 no hydrogen 3.280 N/A THR 238.A N ASP 234.A OD2 no hydrogen 3.060 N/A THR 238.A OG1 ASP 234.A OD2 no hydrogen 2.595 N/A VAL 239.A N ASP 234.A OD1 no hydrogen 3.201 N/A SER 240.A OG SER 228.A O no hydrogen 3.535 N/A MET 241.A N LEU 231.A O no hydrogen 2.765 N/A LYS 242.A NZ ASP 102.A OD2 no hydrogen 2.872 N/A ASP 243.A N TRP 100.A O no hydrogen 2.732 N/A ASN 244.A N ASN 244.A OD1 no hydrogen 2.691 N/A ASN 244.A ND2 HIS 70.A O no hydrogen 2.885 N/A ASN 244.A ND2 LEU 98.A O no hydrogen 3.393 N/A ARG 246.A N GLU 109.A OE2 no hydrogen 2.819 N/A ARG 246.A NH1 GLN 33.A OE1 no hydrogen 2.802 N/A ARG 246.A NH1 SER 34.A O no hydrogen 2.786 N/A ARG 246.A NH2 CYS 28.A O no hydrogen 2.864 N/A ARG 246.A NH2 GLN 33.A OE1 no hydrogen 2.906 N/A GLN 249.A N PRO 35.A O no hydrogen 2.776 N/A GLN 249.A NE2 PRO 247.A O no hydrogen 3.046 N/A ARG 254.A N LEU 251.A O no hydrogen 3.309 N/A ARG 254.A NE LEU 251.A O no hydrogen 3.080 N/A ARG 254.A NH1 GLN 33.A O no hydrogen 3.069 N/A ARG 254.A NH1 LEU 196.A O no hydrogen 2.777 N/A ARG 254.A NH2 GLN 33.A O no hydrogen 2.705 N/A ARG 254.A NH2 GLN 250.A O no hydrogen 2.987 N/A ILE 257.A N ARG 194.A O no hydrogen 2.870 N/A LYS 258.A N LYS 44.A O no hydrogen 2.914 N/A LYS 258.A NZ THR 40.A O no hydrogen 3.208 N/A SER 259.A N TYR 192.A O no hydrogen 3.011 N/A SER 259.A OG TYR 192.A O no hydrogen 3.544 N/A SER 259.A OG ARG 190A.A O no hydrogen 2.585 N/A GLU 12A.A N GLU 8.A O no hydrogen 3.028 N/A GLN 229A.A N LEU 225.A O no hydrogen 2.782 N/A SER 13B.A N VAL 9.A O no hydrogen 3.011 N/A SER 13B.A N GLN 10.A O no hydrogen 3.215 N/A SER 13B.A OG VAL 9.A O no hydrogen 2.591 N/A TYR 16E.A N SER 14C.A OG no hydrogen 3.178 N/A LEU 19H.A N HIS 4.A O no hydrogen 2.729 N/A