Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xss_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N THR 223.A O no hydrogen 3.443 N/A HIS 1.A N CYS 225.A O no hydrogen 3.347 N/A HIS 1.A NE2 SER 217.A OG no hydrogen 2.760 N/A GLY 5.A N SER 27.A OG no hydrogen 3.324 N/A GLU 6.A N ASN 25.A O no hydrogen 2.786 N/A CYS 8.A N VAL 28.A O no hydrogen 2.913 N/A MET 11.A N HIS 32.A O no hydrogen 2.847 N/A ILE 13.A N GLN 34.A O no hydrogen 2.795 N/A ARG 14.A NH1 ASP 12.A OD1 no hydrogen 3.263 N/A ARG 14.A NH1 ASP 12.A OD2 no hydrogen 3.056 N/A ASN 15.A N LEU 37.A O no hydrogen 3.081 N/A ASN 16.A N ARG 14.A O no hydrogen 2.766 N/A THR 18.A OG1 ASN 16.A OD1 no hydrogen 2.818 N/A LEU 20.A N LEU 17.A O no hydrogen 2.981 N/A HIS 21.A N THR 18.A O no hydrogen 3.508 N/A GLU 22.A N ARG 19.A O no hydrogen 3.031 N/A LEU 23.A N LEU 20.A O no hydrogen 3.124 N/A GLU 24.A N HIS 21.A O no hydrogen 3.071 N/A ASN 25.A ND2 GLU 6.A OE1 no hydrogen 3.297 N/A CYS 26.A N LEU 23.A O no hydrogen 3.067 N/A CYS 26.A SG GLU 22.A O no hydrogen 4.023 N/A CYS 26.A SG LEU 23.A O no hydrogen 3.536 N/A SER 27.A N GLU 6.A O no hydrogen 2.852 N/A VAL 28.A N GLU 6.A O no hydrogen 3.480 N/A ILE 29.A N MET 56.A O no hydrogen 2.950 N/A GLU 30.A N CYS 8.A O no hydrogen 2.765 N/A GLY 31.A N THR 58.A OG1 no hydrogen 2.937 N/A LEU 33.A N TYR 60.A O no hydrogen 2.901 N/A GLN 34.A N MET 11.A O no hydrogen 3.011 N/A ILE 35.A N LEU 62.A O no hydrogen 2.927 N/A LEU 36.A N ILE 13.A O no hydrogen 2.821 N/A LEU 37.A N PHE 64.A O no hydrogen 2.979 N/A MET 38.A N ARG 65.A O no hydrogen 2.885 N/A THR 41.A OG1 MET 38.A O no hydrogen 3.195 N/A THR 41.A OG1 TYR 67.A O no hydrogen 2.694 N/A ARG 42.A N ASP 45.A OD2 no hydrogen 2.870 N/A ASP 45.A N ARG 42.A O no hydrogen 3.001 N/A PHE 46.A N PRO 43.A O no hydrogen 2.970 N/A ARG 47.A NH1 GLU 44.A OE2 no hydrogen 2.849 N/A ARG 47.A NH2 GLU 44.A OE2 no hydrogen 2.803 N/A SER 50.A OG ASP 74.A O no hydrogen 2.668 N/A PHE 51.A N LEU 75.A O no hydrogen 2.895 N/A LYS 53.A NZ ASN 25.A OD1 no hydrogen 3.326 N/A LEU 54.A N PHE 51.A O no hydrogen 3.330 N/A ILE 55.A N SER 27.A O no hydrogen 2.863 N/A MET 56.A N SER 27.A O no hydrogen 3.307 N/A ILE 57.A N VAL 81.A O no hydrogen 3.136 N/A THR 58.A N ILE 29.A O no hydrogen 2.947 N/A THR 58.A OG1 ILE 29.A O no hydrogen 3.499 N/A THR 58.A OG1 ASP 59.A OD1 no hydrogen 3.521 N/A ASP 59.A N GLY 31.A O no hydrogen 3.051 N/A LEU 61.A N ALA 92.A O no hydrogen 2.991 N/A LEU 62.A N LEU 33.A O no hydrogen 2.894 N/A LEU 63.A N VAL 94.A O no hydrogen 2.794 N/A PHE 64.A N ILE 35.A O no hydrogen 3.146 N/A ARG 65.A N PHE 96.A O no hydrogen 3.417 N/A ARG 65.A N GLU 97.A O no hydrogen 3.080 N/A ARG 65.A NE GLU 97.A OE2 no hydrogen 2.791 N/A TYR 67.A N MET 38.A O no hydrogen 2.914 N/A GLY 68.A N HIS 100.A ND1 no hydrogen 2.741 N/A SER 71.A OG GLU 103.A OE2 no hydrogen 2.822 N/A LEU 72.A N LEU 104.A O no hydrogen 2.953 N/A LYS 73.A N SER 71.A OG no hydrogen 3.149 N/A LYS 73.A NZ ASP 74.A OD2 no hydrogen 3.263 N/A PHE 76.A N LEU 72.A O no hydrogen 2.915 N/A ASN 78.A ND2 PRO 52.A O no hydrogen 2.726 N/A LEU 79.A N PHE 76.A O no hydrogen 3.514 N/A THR 80.A N ILE 55.A O no hydrogen 2.846 N/A THR 80.A OG1 ASN 78.A O no hydrogen 2.766 N/A VAL 81.A N ILE 55.A O no hydrogen 3.323 N/A ILE 82.A N ASN 111.A O no hydrogen 3.228 N/A ARG 83.A N ILE 57.A O no hydrogen 2.978 N/A ARG 83.A NH1 CYS 228.A O no hydrogen 2.810 N/A ARG 83.A NH2 ARG 229.A O no hydrogen 2.943 N/A SER 85.A N THR 58.A O no hydrogen 2.853 N/A SER 85.A OG THR 58.A O no hydrogen 3.374 N/A PHE 88.A N TYR 91.A O no hydrogen 2.926 N/A TYR 91.A N PHE 88.A O no hydrogen 2.910 N/A ALA 92.A N SER 116.A O no hydrogen 2.785 N/A LEU 93.A N SER 116.A O no hydrogen 3.426 N/A VAL 94.A N LEU 61.A O no hydrogen 2.922 N/A ILE 95.A N ARG 118.A O no hydrogen 2.954 N/A PHE 96.A N LEU 63.A O no hydrogen 2.970 N/A GLU 97.A N GLU 120.A O no hydrogen 3.380 N/A MET 98.A N ASN 122.A OD1 no hydrogen 2.932 N/A LEU 101.A N MET 98.A O no hydrogen 3.034 N/A LYS 102.A N GLU 70.A O no hydrogen 2.845 N/A GLU 103.A N GLU 70.A O no hydrogen 3.385 N/A ASN 108.A ND2 PRO 77.A O no hydrogen 2.747 N/A LEU 109.A N LEU 106.A O no hydrogen 3.015 N/A MET 110.A N THR 80.A O no hydrogen 2.893 N/A ASN 111.A N THR 80.A O no hydrogen 3.287 N/A ILE 112.A N ILE 136.A O no hydrogen 2.925 N/A THR 113.A N ILE 82.A O no hydrogen 3.023 N/A THR 113.A OG1 ASN 111.A OD1 no hydrogen 2.775 N/A ARG 114.A NH1 GLY 84.A O no hydrogen 2.802 N/A SER 116.A N ASN 90.A O no hydrogen 3.052 N/A SER 116.A OG SER 139.A O no hydrogen 3.313 N/A VAL 117.A N ASN 143.A OD1 no hydrogen 3.012 N/A ARG 118.A N LEU 93.A O no hydrogen 2.883 N/A ARG 118.A NE HIS 144.A ND1 no hydrogen 2.873 N/A ILE 119.A N HIS 144.A O no hydrogen 2.964 N/A GLU 120.A N ILE 95.A O no hydrogen 3.016 N/A LYS 121.A N VAL 146.A O no hydrogen 3.266 N/A ASN 122.A N ASN 148.A OD1 no hydrogen 3.135 N/A ASN 122.A ND2 ILE 95.A O no hydrogen 3.171 N/A ASN 122.A ND2 ASN 148.A OD1 no hydrogen 2.904 N/A LEU 125.A N ASN 122.A O no hydrogen 3.041 N/A CYS 126.A N LYS 102.A O no hydrogen 2.952 N/A TYR 127.A N ASP 157.A OD1 no hydrogen 2.984 N/A TYR 127.A OH ILE 158.A O no hydrogen 2.687 N/A THR 130.A OG1 CYS 182.A O no hydrogen 2.922 N/A ILE 131.A N LEU 128.A O no hydrogen 3.217 N/A ASP 132.A N GLN 189.A OE1 no hydrogen 2.948 N/A SER 134.A N ASP 132.A OD1 no hydrogen 3.013 N/A SER 134.A OG ASP 132.A OD1 no hydrogen 2.612 N/A SER 134.A OG ASP 132.A OD2 no hydrogen 3.221 N/A ARG 135.A N ASP 132.A O no hydrogen 3.334 N/A ARG 135.A NE ASP 132.A OD2 no hydrogen 3.150 N/A ILE 136.A N TRP 133.A O no hydrogen 2.807 N/A LEU 137.A N TRP 133.A O no hydrogen 2.901 N/A VAL 140.A N ASP 138.A O no hydrogen 3.119 N/A GLU 141.A N GLU 141.A OE1 no hydrogen 2.725 N/A ASN 143.A N VAL 140.A O no hydrogen 3.231 N/A HIS 144.A N VAL 117.A O no hydrogen 2.841 N/A VAL 146.A N ILE 119.A O no hydrogen 3.153 N/A ASN 148.A ND2 ILE 119.A O no hydrogen 3.106 N/A LYS 149.A N ASN 122.A O no hydrogen 3.294 N/A ASP 150.A N LEU 125.A O no hydrogen 3.223 N/A ASP 151.A N ASN 148.A O no hydrogen 2.889 N/A ASN 152.A N LYS 149.A O no hydrogen 3.291 N/A ILE 158.A N TYR 127.A OH no hydrogen 3.195 N/A CYS 159.A SG GLU 180.A O no hydrogen 3.983 N/A THR 162.A N CYS 159.A O no hydrogen 3.249 N/A THR 162.A OG1 CYS 159.A O no hydrogen 3.039 N/A GLY 165.A N THR 162.A O no hydrogen 2.934 N/A LYS 166.A N GLY 161.A O no hydrogen 2.794 N/A LYS 166.A NZ ASN 168.A OD1 no hydrogen 2.806 N/A ASN 168.A N PRO 160.A O no hydrogen 3.405 N/A CYS 169.A N GLU 180.A OE1 no hydrogen 3.262 N/A THR 172.A N VAL 179.A O no hydrogen 2.976 N/A THR 172.A OG1 ASP 132.A OD2 no hydrogen 2.838 N/A ILE 174.A N GLN 177.A O no hydrogen 2.819 N/A GLN 177.A N ILE 174.A O no hydrogen 3.114 N/A VAL 179.A N THR 172.A O no hydrogen 2.820 N/A ARG 181.A N PRO 170.A O no hydrogen 2.963 N/A ARG 181.A NE THR 172.A OG1 no hydrogen 2.826 N/A ARG 181.A NH2 THR 172.A O no hydrogen 3.284 N/A CYS 182.A N THR 130.A O no hydrogen 2.999 N/A CYS 182.A SG THR 184.A O no hydrogen 3.641 N/A TRP 183.A N HIS 187.A O no hydrogen 2.929 N/A THR 184.A N HIS 187.A O no hydrogen 3.418 N/A THR 184.A OG1 HIS 187.A ND1 no hydrogen 3.075 N/A SER 186.A N THR 184.A OG1 no hydrogen 3.014 N/A HIS 187.A N THR 184.A O no hydrogen 3.346 N/A HIS 187.A ND1 THR 184.A OG1 no hydrogen 3.075 N/A GLN 189.A N ARG 181.A O no hydrogen 3.008 N/A GLN 189.A NE2 ASP 132.A O no hydrogen 2.927 N/A LYS 190.A NZ CYS 201.A O no hydrogen 2.809 N/A CYS 196.A N PRO 193.A O no hydrogen 3.084 N/A LYS 197.A N THR 194.A O no hydrogen 3.042 N/A HIS 199.A N CYS 196.A O no hydrogen 2.953 N/A CYS 201.A SG THR 202.A O no hydrogen 3.694 N/A THR 202.A N LEU 206.A O no hydrogen 2.894 N/A THR 202.A OG1 GLU 204.A OE1 no hydrogen 3.371 N/A GLU 204.A N GLU 204.A OE1 no hydrogen 2.916 N/A GLY 205.A N THR 202.A O no hydrogen 2.928 N/A LEU 206.A N THR 202.A OG1 no hydrogen 3.366 N/A CYS 208.A N GLY 200.A O no hydrogen 2.961 N/A GLU 211.A N HIS 209.A ND1 no hydrogen 2.955 N/A CYS 212.A N HIS 209.A O no hydrogen 2.875 N/A LEU 213.A N ALA 227.A O no hydrogen 2.889 N/A GLY 214.A N SER 198.A O no hydrogen 3.505 N/A ASN 215.A N LEU 213.A O no hydrogen 2.992 N/A CYS 216.A SG GLN 218.A O no hydrogen 3.252 N/A SER 217.A N LYS 224.A O no hydrogen 2.865 N/A SER 217.A OG HIS 1.A NE2 no hydrogen 2.760 N/A SER 217.A OG LYS 224.A O no hydrogen 3.553 N/A ASP 220.A N CYS 207.A O no hydrogen 3.161 N/A THR 223.A N ASP 221.A OD1 no hydrogen 2.904 N/A THR 223.A OG1 ASP 221.A OD1 no hydrogen 2.624 N/A LYS 224.A N ASP 221.A O no hydrogen 3.170 N/A LYS 224.A NZ THR 223.A OG1 no hydrogen 3.349 N/A CYS 225.A SG PRO 222.A O no hydrogen 3.733 N/A VAL 226.A N ASN 215.A O no hydrogen 2.862 N/A CYS 228.A SG PHE 231.A O no hydrogen 3.837 N/A ARG 229.A N GLU 211.A O no hydrogen 2.754 N/A PHE 231.A N VAL 238.A O no hydrogen 2.911 N/A TYR 232.A N TRP 251.A O no hydrogen 2.879 N/A LEU 233.A N ARG 236.A O no hydrogen 2.775 N/A GLY 235.A N TYR 232.A OH no hydrogen 3.108 N/A CYS 237.A N PRO 222.A O no hydrogen 2.934 N/A VAL 238.A N PHE 231.A O no hydrogen 2.807 N/A CYS 241.A N HIS 247.A NE2 no hydrogen 2.968 N/A CYS 241.A SG TYR 246.A O no hydrogen 3.900 N/A TYR 245.A N PRO 242.A O no hydrogen 2.812 N/A TYR 246.A N VAL 254.A O no hydrogen 2.664 N/A HIS 247.A N ASN 282.A O no hydrogen 2.838 N/A HIS 247.A ND1 ASN 282.A O no hydrogen 2.821 N/A PHE 248.A N ARG 252.A O no hydrogen 2.752 N/A TRP 251.A N PHE 248.A O no hydrogen 3.066 N/A TRP 251.A NE1 GLU 30.A OE2 no hydrogen 2.864 N/A ARG 252.A N PHE 248.A O no hydrogen 2.975 N/A ARG 252.A NE GLU 30.A OE2 no hydrogen 3.005 N/A ARG 252.A NH2 GLU 30.A OE1 no hydrogen 3.142 N/A ARG 252.A NH2 GLU 30.A OE2 no hydrogen 3.314 N/A CYS 253.A N TYR 232.A O no hydrogen 3.046 N/A CYS 253.A SG TYR 232.A O no hydrogen 3.996 N/A VAL 254.A N TYR 246.A O no hydrogen 2.930 N/A PHE 258.A N ASN 255.A O no hydrogen 3.098 N/A PHE 258.A N ASN 255.A OD1 no hydrogen 2.813 N/A CYS 259.A N ASN 255.A O no hydrogen 3.295 N/A GLN 260.A N PHE 256.A O no hydrogen 2.875 N/A ASP 261.A N SER 257.A O no hydrogen 2.869 N/A LEU 262.A N PHE 258.A O no hydrogen 3.113 N/A HIS 263.A N CYS 259.A O no hydrogen 3.204 N/A HIS 264.A N GLN 260.A O no hydrogen 3.054 N/A HIS 264.A NE2 ASP 261.A OD1 no hydrogen 3.017 N/A LYS 265.A N LEU 262.A O no hydrogen 3.249 N/A CYS 266.A N LEU 262.A O no hydrogen 3.246 N/A LYS 267.A N LYS 265.A O no hydrogen 2.802 N/A HIS 275.A ND1 GLU 287.A OE2 no hydrogen 3.306 N/A VAL 278.A N ILE 285.A O no hydrogen 2.784 N/A ILE 279.A N LEU 299.A O no hydrogen 2.704 N/A HIS 280.A N LYS 283.A O no hydrogen 2.992 N/A LYS 283.A N HIS 280.A O no hydrogen 3.061 N/A CYS 284.A N HIS 247.A O no hydrogen 3.002 N/A ILE 285.A N VAL 278.A O no hydrogen 2.763 N/A TYR 292.A N PRO 289.A O no hydrogen 3.258 N/A THR 293.A N THR 302.A O no hydrogen 2.917 N/A ASN 295.A N LEU 300.A O no hydrogen 3.071 N/A CYS 301.A N ILE 279.A O no hydrogen 2.955 N/A CYS 301.A SG ILE 279.A O no hydrogen 3.769 N/A THR 302.A N THR 293.A O no hydrogen 2.920 N/A THR 302.A OG1 THR 293.A O no hydrogen 3.271 N/A CYS 304.A N GLY 291.A O no hydrogen 2.845 N/A CYS 304.A SG GLY 291.A O no hydrogen 3.236 N/A CYS 304.A SG GLY 306.A O no hydrogen 3.338 N/A