Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bum_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 121.A OE1 no hydrogen 3.529 N/A ALA 2.A N GLU 121.A OE1 no hydrogen 3.174 N/A ASP 9.A N ALA 6.A O no hydrogen 2.778 N/A LEU 10.A N TYR 7.A O no hydrogen 3.238 N/A LYS 12.A N ASP 9.A O no hydrogen 3.101 N/A LYS 12.A NZ ASP 16.A OD1 no hydrogen 3.410 N/A LYS 12.A NZ ASP 16.A OD2 no hydrogen 2.480 N/A LYS 15.A N GLY 11.A O no hydrogen 3.068 N/A ASP 16.A N LYS 12.A O no hydrogen 2.727 N/A ILE 17.A N SER 13.A O no hydrogen 3.146 N/A PHE 18.A N ALA 14.A O no hydrogen 3.074 N/A ASN 19.A N LYS 15.A O no hydrogen 2.797 N/A ASN 19.A ND2 LYS 15.A O no hydrogen 2.731 N/A LYS 20.A N ASP 16.A O no hydrogen 3.180 N/A GLY 23.A N SER 260.A OG no hydrogen 2.826 N/A GLY 25.A N LEU 275.A O no hydrogen 2.511 N/A MET 26.A N GLY 23.A O no hydrogen 3.295 N/A VAL 27.A N SER 47.A O no hydrogen 2.911 N/A LYS 28.A N LEU 277.A O no hydrogen 2.923 N/A LEU 29.A N GLY 45.A O no hydrogen 2.876 N/A ASP 30.A N LEU 279.A O no hydrogen 2.856 N/A VAL 31.A N THR 43.A O no hydrogen 2.879 N/A LYS 32.A N LEU 281.A O no hydrogen 2.696 N/A THR 33.A N PHE 41.A O no hydrogen 2.894 N/A SER 35.A N VAL 39.A O no hydrogen 3.316 N/A SER 35.A OG SER 37.A OG no hydrogen 2.700 N/A SER 35.A OG VAL 39.A O no hydrogen 3.015 N/A SER 37.A OG SER 35.A OG no hydrogen 2.700 N/A GLY 38.A N SER 35.A O no hydrogen 3.262 N/A GLU 40.A N LYS 61.A O no hydrogen 2.962 N/A PHE 41.A N THR 33.A O no hydrogen 2.908 N/A LYS 42.A N GLU 59.A O no hydrogen 2.924 N/A THR 43.A N VAL 31.A O no hydrogen 2.886 N/A SER 44.A N SER 57.A O no hydrogen 3.238 N/A SER 44.A OG ASP 30.A OD2 no hydrogen 2.466 N/A GLY 45.A N LEU 29.A O no hydrogen 2.895 N/A SER 46.A N VAL 55.A O no hydrogen 2.924 N/A SER 47.A N VAL 27.A O no hydrogen 2.909 N/A SER 47.A OG ASN 48.A O no hydrogen 3.483 N/A ASN 48.A ND2 THR 51.A OG1 no hydrogen 3.250 N/A THR 49.A N GLY 25.A O no hydrogen 2.715 N/A THR 49.A OG1 GLY 25.A O no hydrogen 3.111 N/A ASP 50.A N ASP 50.A OD1 no hydrogen 2.408 N/A SER 52.A OG SER 52.A O no hydrogen 2.474 N/A LYS 53.A N THR 51.A OG1 no hydrogen 2.980 N/A VAL 55.A N SER 46.A O no hydrogen 2.879 N/A GLY 56.A N THR 77.A OG1 no hydrogen 3.180 N/A LEU 58.A N TRP 75.A O.A no hydrogen 2.849 N/A LEU 58.A N TRP 75.A O.B no hydrogen 2.869 N/A GLU 59.A N LYS 42.A O no hydrogen 2.861 N/A THR 60.A N GLU 73.A O no hydrogen 2.899 N/A LYS 61.A N GLU 40.A O no hydrogen 2.892 N/A TYR 62.A N PHE 71.A O no hydrogen 2.915 N/A ARG 64.A N LEU 69.A O no hydrogen 2.921 N/A ARG 64.A NH1 GLU 66.A OE2 no hydrogen 2.548 N/A TYR 67.A N ARG 64.A O no hydrogen 2.935 N/A GLY 68.A N SER 65.A O no hydrogen 3.126 N/A LEU 69.A N ARG 64.A O no hydrogen 3.199 N/A THR 70.A N ASN 86.A O no hydrogen 2.914 N/A PHE 71.A N TYR 62.A O no hydrogen 2.866 N/A THR 72.A N GLU 84.A O no hydrogen 2.900 N/A GLU 73.A N THR 60.A O no hydrogen 2.921 N/A LYS 74.A N GLY 82.A O no hydrogen 2.875 N/A LYS 74.A NZ GLU 84.A OE1 no hydrogen 3.156 N/A TRP 75.A N.A LEU 58.A O no hydrogen 2.919 N/A TRP 75.A N.B LEU 58.A O no hydrogen 2.886 N/A ASN 76.A N THR 80.A O no hydrogen 3.281 N/A THR 77.A N GLY 56.A O no hydrogen 3.236 N/A ASP 78.A N ASN 76.A OD1 no hydrogen 2.971 N/A ASN 79.A N ASN 76.A O no hydrogen 3.103 N/A ASN 79.A ND2 ASN 106.A OD1 no hydrogen 2.858 N/A THR 80.A N ASN 76.A OD1 no hydrogen 3.223 N/A THR 80.A OG1 SER 104.A OG no hydrogen 3.399 N/A LEU 81.A N PHE 103.A O no hydrogen 2.882 N/A GLY 82.A N LYS 74.A O no hydrogen 2.876 N/A THR 83.A N THR 101.A O no hydrogen 2.935 N/A GLU 84.A N THR 72.A O no hydrogen 2.907 N/A ILE 85.A N PHE 99.A O no hydrogen 2.883 N/A ASN 86.A N THR 70.A O no hydrogen 2.859 N/A ASN 86.A ND2 GLU 84.A OE2 no hydrogen 3.469 N/A ASN 86.A ND2 THR 98.A OG1 no hydrogen 2.948 N/A ILE 87.A N LEU 97.A O no hydrogen 2.867 N/A GLU 88.A N GLY 68.A O no hydrogen 2.916 N/A ASP 89.A N LEU 95.A O no hydrogen 2.879 N/A LYS 96.A N ALA 117.A O no hydrogen 2.862 N/A LEU 97.A N ILE 87.A O no hydrogen 2.906 N/A THR 98.A N LYS 115.A O no hydrogen 2.882 N/A PHE 99.A N ILE 85.A O no hydrogen 2.915 N/A ASP 100.A N LYS 113.A O no hydrogen 2.919 N/A THR 101.A N THR 83.A O no hydrogen 2.894 N/A THR 101.A OG1 THR 83.A O no hydrogen 3.133 N/A THR 102.A N SER 111.A O no hydrogen 2.928 N/A THR 102.A OG1 SER 111.A O no hydrogen 3.558 N/A PHE 103.A N LEU 81.A O no hydrogen 2.878 N/A SER 104.A N LYS 109.A O no hydrogen 3.043 N/A SER 104.A OG THR 80.A OG1 no hydrogen 3.399 N/A GLY 108.A N SER 104.A O no hydrogen 2.715 N/A SER 111.A N THR 102.A O no hydrogen 2.910 N/A SER 111.A OG PHE 131.A O no hydrogen 3.326 N/A SER 111.A OG ASP 132.A OD1 no hydrogen 2.314 N/A GLY 112.A N PHE 131.A O no hydrogen 3.036 N/A LYS 113.A N ASP 100.A O no hydrogen 2.871 N/A VAL 114.A N VAL 129.A O no hydrogen 2.944 N/A LYS 115.A N THR 98.A O no hydrogen 2.889 N/A THR 116.A N CYS 127.A O no hydrogen 2.894 N/A THR 116.A OG1 CYS 127.A O no hydrogen 2.495 N/A ALA 117.A N LYS 96.A O no hydrogen 2.929 N/A TYR 118.A N LEU 125.A O no hydrogen 2.902 N/A LYS 119.A N GLY 94.A O no hydrogen 2.930 N/A ARG 120.A N VAL 123.A O no hydrogen 2.876 N/A PHE 122.A N ALA 2.A O no hydrogen 2.751 N/A VAL 123.A N ARG 120.A O no hydrogen 3.366 N/A ASN 124.A N VAL 143.A O no hydrogen 2.897 N/A ASN 124.A ND2 PRO 4.A O no hydrogen 2.859 N/A LEU 125.A N TYR 118.A O no hydrogen 2.921 N/A GLY 126.A N ALA 141.A O no hydrogen 2.904 N/A CYS 127.A N THR 116.A O no hydrogen 2.875 N/A CYS 127.A SG HIS 139.A O no hydrogen 3.609 N/A ASP 128.A N HIS 139.A O no hydrogen 2.894 N/A VAL 129.A N VAL 114.A O no hydrogen 2.881 N/A ASP 130.A N THR 137.A O no hydrogen 2.953 N/A PHE 131.A N GLY 112.A O no hydrogen 2.786 N/A THR 137.A N ASP 130.A O no hydrogen 2.936 N/A ILE 138.A N PHE 157.A O no hydrogen 2.893 N/A HIS 139.A N ASP 128.A O no hydrogen 2.872 N/A HIS 139.A ND1 SER 156.A OG no hydrogen 2.599 N/A GLY 140.A N MET 155.A O no hydrogen 2.887 N/A ALA 141.A N GLY 126.A O no hydrogen 2.925 N/A ALA 142.A N TYR 153.A O no hydrogen 2.924 N/A VAL 143.A N ASN 124.A O no hydrogen 2.918 N/A VAL 144.A N ALA 151.A O no hydrogen 2.883 N/A GLY 145.A N PHE 122.A O no hydrogen 3.006 N/A TYR 146.A N TRP 149.A O no hydrogen 3.136 N/A LEU 150.A N GLY 172.A O no hydrogen 2.887 N/A ALA 151.A N VAL 144.A O no hydrogen 2.901 N/A GLY 152.A N ALA 170.A O no hydrogen 2.885 N/A TYR 153.A N ALA 142.A O no hydrogen 2.915 N/A TYR 153.A OH ASN 167.A OD1 no hydrogen 2.592 N/A GLN 154.A N ASN 168.A O no hydrogen 2.907 N/A SER 156.A N GLN 166.A O no hydrogen 2.941 N/A SER 156.A OG HIS 139.A ND1 no hydrogen 2.599 N/A PHE 157.A N ILE 138.A O no hydrogen 2.907 N/A ASP 158.A N LYS 163.A O no hydrogen 2.831 N/A THR 159.A N PRO 136.A O no hydrogen 3.162 N/A THR 159.A OG1 PRO 136.A O no hydrogen 2.454 N/A ALA 160.A N ASP 158.A OD1 no hydrogen 2.951 N/A LYS 161.A N ASP 158.A OD1 no hydrogen 3.256 N/A LYS 163.A N ASP 158.A O no hydrogen 2.987 N/A THR 165.A N SER 156.A O no hydrogen 3.037 N/A ASN 168.A N GLN 154.A O no hydrogen 2.881 N/A ASN 168.A ND2 GLN 154.A OE1 no hydrogen 2.742 N/A PHE 169.A N VAL 184.A O no hydrogen 2.919 N/A ALA 170.A N GLY 152.A O no hydrogen 2.891 N/A VAL 171.A N THR 182.A O no hydrogen 2.884 N/A GLY 172.A N LEU 150.A O no hydrogen 2.901 N/A TYR 173.A N LEU 180.A O no hydrogen 2.914 N/A LYS 174.A N GLY 148.A O no hydrogen 2.897 N/A THR 175.A N PHE 178.A O no hydrogen 2.963 N/A GLN 179.A N TYR 195.A O no hydrogen 2.902 N/A LEU 180.A N TYR 173.A O no hydrogen 2.898 N/A HIS 181.A N SER 193.A O no hydrogen 2.939 N/A THR 182.A N VAL 171.A O no hydrogen 2.906 N/A THR 182.A OG1 VAL 171.A O no hydrogen 3.066 N/A ASN 183.A N GLY 191.A O no hydrogen 2.865 N/A VAL 184.A N PHE 169.A O no hydrogen 2.895 N/A ASN 185.A N GLU 189.A O no hydrogen 2.813 N/A ASP 186.A N ASN 167.A O no hydrogen 2.782 N/A SER 188.A N ASN 185.A O no hydrogen 3.126 N/A GLU 189.A N ASN 185.A O no hydrogen 3.063 N/A PHE 190.A N TRP 210.A O no hydrogen 2.857 N/A GLY 191.A N ASN 183.A O no hydrogen 2.943 N/A GLY 192.A N LEU 208.A O no hydrogen 2.906 N/A SER 193.A N HIS 181.A O no hydrogen 2.866 N/A ILE 194.A N VAL 206.A O no hydrogen 2.920 N/A TYR 195.A N GLN 179.A O no hydrogen 2.888 N/A TYR 195.A OH GLU 203.A OE1 no hydrogen 2.297 N/A GLN 196.A N THR 204.A O no hydrogen 2.878 N/A LYS 197.A N ASP 177.A O no hydrogen 3.069 N/A LYS 197.A NZ ASP 200.A O no hydrogen 3.423 N/A SER 199.A N LEU 202.A O no hydrogen 3.316 N/A LYS 201.A N SER 199.A OG no hydrogen 2.909 N/A LYS 201.A NZ GLN 226.A O no hydrogen 3.234 N/A LYS 201.A NZ LEU 227.A O no hydrogen 2.814 N/A LEU 202.A N SER 199.A OG no hydrogen 2.815 N/A GLU 203.A N LYS 224.A O no hydrogen 2.857 N/A THR 204.A N GLN 196.A O no hydrogen 2.906 N/A ALA 205.A N ALA 222.A O no hydrogen 2.898 N/A VAL 206.A N ILE 194.A O no hydrogen 2.917 N/A ASN 207.A N GLY 220.A O no hydrogen 2.892 N/A LEU 208.A N GLY 192.A O no hydrogen 2.870 N/A ALA 209.A N ARG 218.A O no hydrogen 2.846 N/A TRP 210.A N PHE 190.A O no hydrogen 2.920 N/A THR 211.A OG1 ALA 212.A O no hydrogen 3.378 N/A SER 214.A OG GLY 213.A O no hydrogen 2.489 N/A ARG 218.A N ALA 209.A O no hydrogen 2.903 N/A ARG 218.A NH2 GLU 189.A OE2 no hydrogen 2.859 N/A PHE 219.A N ASN 239.A OD1 no hydrogen 3.512 N/A GLY 220.A N ASN 207.A O no hydrogen 2.944 N/A ILE 221.A N VAL 237.A O no hydrogen 2.880 N/A ALA 222.A N ALA 205.A O no hydrogen 2.889 N/A ALA 223.A N ALA 235.A O no hydrogen 2.894 N/A LYS 224.A N GLU 203.A O no hydrogen 2.902 N/A TYR 225.A N ILE 233.A O no hydrogen 2.804 N/A GLN 226.A N LYS 201.A O no hydrogen 2.729 N/A GLN 226.A NE2 ASP 228.A O no hydrogen 3.041 N/A ASP 230.A N ASP 228.A OD1 no hydrogen 2.529 N/A SER 232.A N THR 248.A O no hydrogen 2.873 N/A SER 232.A OG TYR 225.A O no hydrogen 3.527 N/A ILE 233.A N TYR 225.A O no hydrogen 2.921 N/A SER 234.A N GLY 246.A O no hydrogen 2.805 N/A ALA 235.A N ALA 223.A O no hydrogen 2.957 N/A LYS 236.A N GLY 244.A O no hydrogen 2.930 N/A LYS 236.A NZ PHE 18.A O no hydrogen 2.731 N/A VAL 237.A N ILE 221.A O no hydrogen 2.907 N/A ASN 238.A N LEU 242.A O no hydrogen 3.326 N/A ASN 239.A ND2 THR 217.A O no hydrogen 3.008 N/A SER 241.A N ASN 238.A O no hydrogen 3.199 N/A LEU 242.A N ASN 238.A OD1 no hydrogen 2.882 N/A VAL 243.A N VAL 263.A O no hydrogen 2.871 N/A GLY 244.A N LYS 236.A O no hydrogen 2.849 N/A VAL 245.A N ALA 261.A O no hydrogen 2.930 N/A GLY 246.A N SER 234.A O no hydrogen 2.919 N/A TYR 247.A N LEU 259.A O no hydrogen 2.820 N/A TYR 247.A OH GLN 249.A OE1 no hydrogen 2.719 N/A THR 248.A N SER 232.A O no hydrogen 2.911 N/A THR 248.A OG1 LEU 257.A O no hydrogen 3.552 N/A GLN 249.A N LEU 257.A O no hydrogen 2.851 N/A SER 250.A N ASP 230.A O no hydrogen 2.739 N/A SER 250.A OG ASP 230.A O no hydrogen 2.972 N/A SER 250.A OG ASP 230.A OD1 no hydrogen 3.082 N/A LEU 251.A N ILE 255.A O no hydrogen 2.932 N/A ILE 255.A N ARG 252.A O no hydrogen 2.863 N/A LYS 256.A N GLU 280.A O no hydrogen 2.916 N/A LEU 257.A N GLN 249.A O no hydrogen 2.895 N/A THR 258.A N GLY 278.A O no hydrogen 2.838 N/A LEU 259.A N TYR 247.A O no hydrogen 2.895 N/A SER 260.A N GLY 276.A O no hydrogen 2.902 N/A ALA 261.A N VAL 245.A O no hydrogen 2.885 N/A LEU 262.A N LYS 274.A O no hydrogen 2.799 N/A VAL 263.A N VAL 243.A O no hydrogen 2.885 N/A SER 267.A OG HIS 273.A NE2 no hydrogen 3.236 N/A HIS 273.A N GLY 271.A O no hydrogen 3.165 N/A HIS 273.A NE2 SER 267.A OG no hydrogen 3.236 N/A LYS 274.A N LEU 262.A O no hydrogen 3.056 N/A LEU 277.A N MET 26.A O no hydrogen 2.987 N/A GLY 278.A N THR 258.A O no hydrogen 2.914 N/A LEU 279.A N LYS 28.A O no hydrogen 2.739 N/A GLU 280.A N LYS 256.A O no hydrogen 2.885 N/A LEU 281.A N ASP 30.A O no hydrogen 2.798 N/A GLU 282.A N GLY 254.A O no hydrogen 2.852 N/A ALA 283.A N LYS 32.A O no hydrogen 2.777 N/A