Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jsu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 9.A N VAL 18.A O no hydrogen 3.072 N/A ARG 10.A NE GLU 16.A OE2 no hydrogen 2.957 N/A ASN 11.A N GLU 16.A O no hydrogen 2.716 N/A LYS 12.A NZ ASN 11.A OD1 no hydrogen 3.494 N/A VAL 18.A N ALA 9.A O no hydrogen 2.863 N/A ALA 19.A N PHE 68.A O no hydrogen 2.972 N/A LEU 20.A N TYR 7.A O no hydrogen 2.883 N/A LYS 21.A N LEU 66.A O no hydrogen 2.778 N/A ILE 23.A N LEU 64.A O no hydrogen 2.786 N/A LEU 25.A N ASN 62.A O no hydrogen 2.844 N/A GLU 28.A N ASP 26.A OD1 no hydrogen 3.339 N/A THR 29.A N ASP 26.A OD1 no hydrogen 3.342 N/A THR 29.A OG1 GLU 28.A O no hydrogen 3.024 N/A GLY 31.A N THR 29.A O no hydrogen 2.944 N/A ILE 37.A N PRO 33.A O no hydrogen 2.932 N/A ARG 38.A N SER 34.A O no hydrogen 2.860 N/A GLU 39.A N THR 35.A O no hydrogen 2.909 N/A ILE 40.A N ALA 36.A O no hydrogen 2.853 N/A SER 41.A N ILE 37.A O no hydrogen 3.138 N/A SER 41.A OG ILE 37.A O no hydrogen 2.672 N/A SER 41.A OG ARG 38.A O no hydrogen 3.390 N/A LEU 42.A N ARG 38.A O no hydrogen 2.940 N/A LEU 43.A N GLU 39.A O no hydrogen 2.816 N/A LYS 44.A N ILE 40.A O no hydrogen 3.131 N/A GLU 45.A N LEU 42.A O no hydrogen 2.890 N/A LEU 46.A N LEU 43.A O no hydrogen 2.963 N/A ASN 50.A N HIS 48.A ND1 no hydrogen 2.999 N/A ASN 50.A ND2 GLN 98.A OE1 no hydrogen 2.918 N/A ASN 50.A ND2 ILE 129.A O no hydrogen 2.976 N/A ILE 51.A N HIS 48.A O no hydrogen 3.088 N/A VAL 52.A N LEU 131.A O no hydrogen 3.019 N/A LYS 53.A N GLU 69.A OE1 no hydrogen 2.982 N/A LEU 55.A N VAL 67.A O no hydrogen 2.560 N/A ASP 56.A N VAL 67.A O no hydrogen 3.228 N/A VAL 57.A N ASP 56.A OD1 no hydrogen 2.704 N/A ILE 58.A N TYR 65.A O no hydrogen 2.825 N/A THR 60.A N LYS 63.A O no hydrogen 2.798 N/A THR 60.A OG1 LYS 63.A O no hydrogen 3.110 N/A LYS 63.A N THR 60.A OG1 no hydrogen 2.909 N/A LYS 63.A NZ TYR 65.A OH no hydrogen 3.087 N/A LEU 64.A N ILE 23.A O no hydrogen 2.958 N/A TYR 65.A N ILE 58.A O no hydrogen 2.721 N/A LEU 66.A N LYS 21.A O no hydrogen 2.703 N/A VAL 67.A N ASP 56.A O no hydrogen 2.897 N/A PHE 68.A N ALA 19.A O no hydrogen 2.993 N/A GLU 69.A N LYS 53.A O no hydrogen 2.854 N/A PHE 70.A N VAL 17.A O no hydrogen 3.191 N/A GLN 73.A N ILE 123.A O no hydrogen 3.099 N/A LEU 75.A N LEU 121.A O no hydrogen 2.872 N/A LYS 76.A NZ GLU 182.A OE2 no hydrogen 3.313 N/A LYS 77.A N ASP 74.A OD1 no hydrogen 2.861 N/A PHE 78.A N ASP 74.A O no hydrogen 2.970 N/A MET 79.A N LEU 75.A O no hydrogen 2.824 N/A ASP 80.A N LYS 76.A O no hydrogen 2.851 N/A ALA 81.A N LYS 77.A O no hydrogen 2.859 N/A SER 82.A N PHE 78.A O no hydrogen 2.841 N/A SER 82.A N MET 79.A O no hydrogen 3.061 N/A SER 82.A OG HIS 282.A NE2 no hydrogen 2.767 N/A ALA 83.A N ASP 80.A O no hydrogen 3.209 N/A THR 85.A N SER 82.A O no hydrogen 2.662 N/A GLY 86.A N SER 82.A O no hydrogen 3.026 N/A GLY 86.A N SER 82.A OG no hydrogen 3.153 N/A LEU 91.A N PRO 88.A O no hydrogen 2.833 N/A ILE 92.A N PRO 88.A O no hydrogen 2.984 N/A LYS 93.A N LEU 89.A O no hydrogen 2.797 N/A LYS 93.A NZ PHE 272.A O no hydrogen 3.236 N/A LYS 93.A NZ ASP 275.A OD1 no hydrogen 3.009 N/A LYS 93.A NZ ASP 275.A OD2 no hydrogen 3.319 N/A SER 94.A N PRO 90.A O no hydrogen 3.233 N/A SER 94.A OG THR 277.A O no hydrogen 3.125 N/A TYR 95.A N LEU 91.A O no hydrogen 3.066 N/A LEU 96.A N ILE 92.A O no hydrogen 2.883 N/A PHE 97.A N LYS 93.A O no hydrogen 2.977 N/A GLN 98.A N SER 94.A O no hydrogen 3.118 N/A GLN 98.A NE2 SER 94.A O no hydrogen 3.330 N/A GLN 98.A NE2 SER 94.A OG no hydrogen 3.067 N/A GLN 98.A NE2 GLY 127.A O no hydrogen 2.896 N/A LEU 99.A N TYR 95.A O no hydrogen 2.928 N/A LEU 100.A N LEU 96.A O no hydrogen 2.948 N/A GLN 101.A N PHE 97.A O no hydrogen 3.072 N/A GLY 102.A N GLN 98.A O no hydrogen 2.993 N/A LEU 103.A N LEU 99.A O no hydrogen 2.897 N/A ALA 104.A N LEU 100.A O no hydrogen 2.850 N/A PHE 105.A N GLN 101.A O no hydrogen 3.100 N/A CYS 106.A N GLY 102.A O no hydrogen 3.169 N/A CYS 106.A SG GLY 102.A O no hydrogen 3.483 N/A HIS 107.A N LEU 103.A O no hydrogen 2.993 N/A HIS 107.A NE2 ASP 172.A OD2 no hydrogen 3.063 N/A SER 108.A N ALA 104.A O no hydrogen 2.971 N/A SER 108.A OG ALA 104.A O no hydrogen 3.235 N/A SER 108.A OG PHE 105.A O no hydrogen 3.166 N/A SER 108.A OG HIS 109.A ND1 no hydrogen 3.319 N/A HIS 109.A N CYS 106.A O no hydrogen 2.906 N/A HIS 109.A ND1 PHE 105.A O no hydrogen 2.765 N/A ARG 110.A N HIS 107.A O no hydrogen 2.982 N/A ARG 110.A NE HIS 109.A O no hydrogen 3.315 N/A ARG 110.A NH2 GLU 45.A OE1 no hydrogen 2.709 N/A VAL 111.A N CYS 106.A O no hydrogen 3.065 N/A LEU 112.A N ARG 138.A O no hydrogen 2.901 N/A HIS 113.A N ASP 172.A OD2 no hydrogen 3.017 N/A HIS 113.A NE2 ALA 132.A O no hydrogen 2.698 N/A ARG 114.A N ASP 172.A OD1 no hydrogen 3.054 N/A ARG 114.A NE LEU 136.A O no hydrogen 2.820 N/A ARG 114.A NH1 TYR 167.A OH no hydrogen 2.573 N/A ARG 114.A NH2 LEU 136.A O no hydrogen 2.963 N/A ASP 115.A N HIS 113.A ND1 no hydrogen 3.177 N/A LYS 117.A NZ THR 152.A OG1 no hydrogen 3.181 N/A GLN 119.A N GLN 119.A OE1 no hydrogen 2.612 N/A ASN 120.A N LYS 117.A O no hydrogen 2.776 N/A ASN 120.A ND2 ASP 115.A O no hydrogen 2.915 N/A LEU 121.A N PRO 118.A O no hydrogen 3.221 N/A LEU 122.A N LYS 130.A O no hydrogen 2.974 N/A ILE 123.A N GLN 73.A O no hydrogen 2.709 N/A ASN 124.A N ALA 128.A O no hydrogen 3.055 N/A GLU 126.A N ASN 124.A OD1 no hydrogen 3.000 N/A GLY 127.A N ASN 124.A O no hydrogen 3.316 N/A ALA 128.A N ASN 124.A OD1 no hydrogen 3.102 N/A ILE 129.A N GLN 98.A OE1 no hydrogen 3.241 N/A LYS 130.A N LEU 122.A O no hydrogen 2.847 N/A LYS 130.A NZ PRO 49.A O no hydrogen 2.981 N/A LYS 130.A NZ GLU 69.A OE1 no hydrogen 3.562 N/A LYS 130.A NZ GLU 69.A OE2 no hydrogen 2.694 N/A LEU 131.A N ASN 50.A O no hydrogen 3.003 N/A ALA 132.A N ASN 120.A O no hydrogen 2.790 N/A PHE 134.A N GLU 39.A OE2 no hydrogen 3.118 N/A ALA 137.A N PHE 134.A O no hydrogen 3.307 N/A ARG 138.A N LEU 112.A O no hydrogen 2.959 N/A PHE 140.A N ARG 110.A O no hydrogen 2.751 N/A ARG 145.A N TYR 147.A OH no hydrogen 2.813 N/A ARG 145.A NE THR 146.A O no hydrogen 3.556 N/A THR 146.A OG1 LYS 165.A O no hydrogen 2.790 N/A THR 152.A N ASP 115.A OD1 no hydrogen 3.332 N/A THR 152.A OG1 ASP 115.A OD1 no hydrogen 2.959 N/A TRP 154.A NE1 GLY 192.A O no hydrogen 3.023 N/A TYR 155.A N THR 152.A O no hydrogen 2.807 N/A TYR 155.A OH GLU 182.A OE1 no hydrogen 2.969 N/A ARG 156.A N LEU 153.A O no hydrogen 2.853 N/A ARG 156.A NE VAL 151.A O no hydrogen 2.836 N/A ARG 156.A NH2 VAL 151.A O no hydrogen 2.666 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.789 N/A LEU 161.A N ALA 157.A O no hydrogen 3.411 N/A LEU 162.A N PRO 158.A O no hydrogen 2.759 N/A GLY 163.A N ILE 160.A O no hydrogen 3.074 N/A CYS 164.A N GLU 159.A O no hydrogen 2.784 N/A CYS 164.A SG GLU 159.A O no hydrogen 3.031 N/A CYS 164.A SG TYR 166.A O no hydrogen 3.577 N/A LYS 165.A NZ THR 146.A OG1 no hydrogen 2.733 N/A LYS 165.A NZ TYR 166.A OH no hydrogen 2.900 N/A VAL 171.A N SER 168.A O no hydrogen 2.946 N/A ASP 172.A N THR 169.A O no hydrogen 3.035 N/A TRP 174.A N ALA 170.A O no hydrogen 3.167 N/A SER 175.A N VAL 171.A O no hydrogen 3.330 N/A SER 175.A OG TYR 155.A O no hydrogen 2.823 N/A SER 175.A OG VAL 171.A O no hydrogen 3.143 N/A LEU 176.A N ASP 172.A O no hydrogen 3.008 N/A GLY 177.A N ILE 173.A O no hydrogen 2.884 N/A CYS 178.A N TRP 174.A O no hydrogen 2.971 N/A CYS 178.A SG TRP 154.A O no hydrogen 4.030 N/A CYS 178.A SG TRP 174.A O no hydrogen 3.425 N/A ILE 179.A N SER 175.A O no hydrogen 2.982 N/A PHE 180.A N LEU 176.A O no hydrogen 2.930 N/A ALA 181.A N GLY 177.A O no hydrogen 3.155 N/A GLU 182.A N CYS 178.A O no hydrogen 2.979 N/A MET 183.A N ILE 179.A O no hydrogen 2.811 N/A VAL 184.A N PHE 180.A O no hydrogen 3.297 N/A THR 185.A N GLU 182.A O no hydrogen 3.291 N/A ARG 186.A N GLU 182.A O no hydrogen 2.489 N/A ARG 186.A NH1 SER 82.A O no hydrogen 3.441 N/A ARG 187.A N THR 185.A OG1 no hydrogen 2.998 N/A ARG 187.A NH1 ALA 83.A O no hydrogen 3.245 N/A ARG 187.A NH2 ALA 83.A O no hydrogen 3.255 N/A GLY 192.A N PHE 190.A O no hydrogen 2.903 N/A GLY 192.A N GLN 198.A OE1 no hydrogen 2.762 N/A ASP 193.A N ASP 197.A OD2 no hydrogen 2.698 N/A ASP 197.A N SER 194.A OG no hydrogen 3.240 N/A GLN 198.A N SER 194.A O no hydrogen 2.813 N/A GLN 198.A NE2 TRP 154.A O no hydrogen 3.482 N/A GLN 198.A NE2 PHE 190.A O no hydrogen 2.801 N/A LEU 199.A N GLU 195.A O no hydrogen 3.056 N/A PHE 200.A N ILE 196.A O no hydrogen 2.888 N/A ARG 201.A N ASP 197.A O no hydrogen 2.878 N/A ARG 201.A NE ASP 197.A OD2 no hydrogen 3.298 N/A ARG 201.A NH2 ASP 193.A OD2 no hydrogen 3.543 N/A ILE 202.A N GLN 198.A O no hydrogen 3.122 N/A PHE 203.A N LEU 199.A O no hydrogen 2.925 N/A ARG 204.A N PHE 200.A O no hydrogen 2.951 N/A THR 205.A N ARG 201.A O no hydrogen 3.270 N/A THR 205.A N ILE 202.A O no hydrogen 3.153 N/A THR 205.A OG1 ARG 201.A O no hydrogen 3.080 N/A LEU 206.A N ILE 202.A O no hydrogen 2.815 N/A THR 208.A N TRP 230.A O no hydrogen 3.031 N/A THR 208.A OG1 PRO 228.A O no hydrogen 2.738 N/A VAL 213.A N ASP 210.A OD1 no hydrogen 2.822 N/A TRP 214.A N ASP 210.A O no hydrogen 3.007 N/A GLY 216.A N GLU 211.A OE1 no hydrogen 2.744 N/A VAL 217.A N TRP 214.A O no hydrogen 3.015 N/A THR 218.A N GLU 211.A OE2 no hydrogen 2.979 N/A THR 218.A OG1 GLU 211.A OE2 no hydrogen 2.608 N/A SER 219.A N GLY 216.A O no hydrogen 2.850 N/A MET 220.A N VAL 217.A O no hydrogen 3.175 N/A ASP 222.A N LEU 162.A O no hydrogen 3.007 N/A TYR 223.A N MET 220.A O no hydrogen 3.003 N/A PHE 227.A N LYS 224.A O no hydrogen 3.084 N/A LYS 229.A NZ TYR 223.A OH no hydrogen 3.027 N/A LYS 229.A NZ PRO 225.A O no hydrogen 3.558 N/A LYS 229.A NZ PHE 227.A O no hydrogen 2.919 N/A TRP 230.A N THR 208.A OG1 no hydrogen 2.844 N/A LYS 237.A N ASP 234.A O no hydrogen 2.781 N/A VAL 238.A N PHE 235.A O no hydrogen 2.971 N/A LEU 242.A N VAL 239.A O no hydrogen 3.162 N/A GLY 246.A N ASP 243.A OD1 no hydrogen 2.849 N/A ARG 247.A N ASP 243.A O no hydrogen 2.875 N/A ARG 247.A NH1 LEU 242.A O no hydrogen 2.762 N/A SER 248.A N GLU 244.A O no hydrogen 3.061 N/A SER 248.A OG HIS 270.A NE2 no hydrogen 2.993 N/A LEU 249.A N ASP 245.A O no hydrogen 3.011 N/A LEU 250.A N GLY 246.A O no hydrogen 2.973 N/A SER 251.A N ARG 247.A O no hydrogen 2.874 N/A SER 251.A OG ARG 247.A O no hydrogen 3.169 N/A SER 251.A OG SER 248.A O no hydrogen 2.624 N/A GLN 252.A N SER 248.A O no hydrogen 3.125 N/A GLN 252.A NE2 SER 248.A O no hydrogen 3.359 N/A MET 253.A N LEU 249.A O no hydrogen 2.865 N/A LEU 254.A N LEU 250.A O no hydrogen 2.930 N/A TYR 256.A OH GLY 207.A O no hydrogen 2.663 N/A ASN 259.A N ASP 257.A OD1 no hydrogen 3.239 N/A LYS 260.A N ASP 257.A O no hydrogen 2.800 N/A ARG 261.A N ASP 257.A O no hydrogen 2.893 N/A ARG 261.A NE HIS 255.A O no hydrogen 2.744 N/A ARG 261.A NH1 GLU 159.A OE1 no hydrogen 3.382 N/A ARG 261.A NH1 GLU 159.A OE2 no hydrogen 2.889 N/A ARG 261.A NH1 ALA 170.A O no hydrogen 2.864 N/A ARG 261.A NH2 GLU 159.A OE1 no hydrogen 2.815 N/A ARG 261.A NH2 HIS 255.A O no hydrogen 2.988 N/A ARG 261.A NH2 TYR 256.A O no hydrogen 2.858 N/A ILE 262.A N GLN 252.A O no hydrogen 2.997 N/A ALA 266.A N SER 263.A OG no hydrogen 3.011 N/A ALA 267.A N SER 263.A O no hydrogen 2.946 N/A LEU 268.A N ALA 264.A O no hydrogen 3.369 N/A ALA 269.A N ALA 266.A O no hydrogen 3.049 N/A HIS 270.A N ALA 267.A O no hydrogen 3.059 N/A HIS 270.A NE2 SER 248.A OG no hydrogen 2.993 N/A PHE 272.A N HIS 270.A ND1 no hydrogen 3.188 N/A PHE 273.A N HIS 270.A O no hydrogen 3.027 N/A GLN 274.A N PRO 271.A O no hydrogen 2.982 N/A VAL 276.A N PHE 273.A O no hydrogen 2.804 N/A HIS 282.A NE2 SER 82.A OG no hydrogen 2.767 N/A