Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wkj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A NE2 VAL 158.A O no hydrogen 2.714 N/A ALA 4.A N HIS 1.A O no hydrogen 3.145 N/A THR 5.A N HIS 2.A O no hydrogen 3.443 N/A THR 5.A OG1 HIS 2.A O no hydrogen 2.649 N/A LEU 7.A N ALA 4.A O no hydrogen 2.898 N/A ARG 8.A N THR 5.A O no hydrogen 2.954 N/A ARG 8.A NE ASP 204.A OD2 no hydrogen 3.130 N/A VAL 10.A N ASP 42.A OD2 no hydrogen 2.812 N/A MET 11.A N GLY 206.A O no hydrogen 2.957 N/A ALA 12.A N GLY 43.A O no hydrogen 3.073 N/A ALA 13.A N GLY 208.A O no hydrogen 2.977 N/A LEU 14.A N TYR 45.A O no hydrogen 2.914 N/A THR 16.A OG1 GLY 51.A O no hydrogen 2.717 N/A ASP 19.A N ALA 23.A O no hydrogen 2.780 N/A GLN 21.A N ASP 19.A OD1 no hydrogen 2.797 N/A GLN 22.A N ASP 19.A O no hydrogen 2.878 N/A ALA 23.A N ASP 19.A OD1 no hydrogen 2.950 N/A ASP 25.A N PRO 17.A O no hydrogen 2.960 N/A SER 28.A N ASP 25.A OD1 no hydrogen 3.008 N/A SER 28.A OG ASP 25.A OD2 no hydrogen 2.724 N/A LEU 29.A N ASP 25.A O no hydrogen 2.882 N/A ARG 30.A N LYS 26.A O no hydrogen 2.918 N/A ARG 30.A NH1 GLU 70.A OE1 no hydrogen 3.132 N/A ARG 30.A NH1 GLU 71.A OE2 no hydrogen 2.766 N/A ARG 30.A NH2 GLU 70.A OE1 no hydrogen 3.139 N/A ARG 31.A N ALA 27.A O no hydrogen 3.045 N/A LEU 32.A N SER 28.A O no hydrogen 2.838 N/A VAL 33.A N LEU 29.A O no hydrogen 3.012 N/A GLN 34.A N ARG 30.A O no hydrogen 2.998 N/A GLN 34.A NE2 GLU 71.A O no hydrogen 3.150 N/A GLN 34.A NE2 GLU 71.A OE1 no hydrogen 2.704 N/A PHE 35.A N ARG 31.A O no hydrogen 2.849 N/A ASN 36.A N LEU 32.A O no hydrogen 3.014 N/A ASN 36.A ND2 LEU 32.A O no hydrogen 2.993 N/A ASN 36.A ND2 ASN 212.A OD1 no hydrogen 3.189 N/A ILE 37.A N VAL 33.A O no hydrogen 3.015 N/A GLN 38.A N GLN 34.A O no hydrogen 2.836 N/A GLN 39.A N PHE 35.A O no hydrogen 3.083 N/A GLY 40.A N ILE 37.A O no hydrogen 2.966 N/A ILE 41.A N ASN 36.A O no hydrogen 3.330 N/A ASP 42.A N VAL 10.A O no hydrogen 3.140 N/A LEU 44.A N LYS 77.A O no hydrogen 2.912 N/A TYR 45.A N ALA 12.A O no hydrogen 2.843 N/A TYR 45.A OH SER 106.A OG no hydrogen 2.742 N/A VAL 46.A N ILE 79.A O no hydrogen 2.833 N/A SER 49.A OG TYR 139.A OH no hydrogen 2.728 N/A GLU 52.A N SER 49.A O no hydrogen 3.012 N/A ALA 53.A N GLY 48.A O no hydrogen 3.364 N/A VAL 55.A N GLU 52.A O no hydrogen 3.160 N/A GLN 56.A N ALA 53.A O no hydrogen 3.083 N/A GLN 56.A NE2.A GLU 52.A O no hydrogen 3.080 N/A SER 57.A N GLU 60.A OE1 no hydrogen 2.909 N/A GLU 60.A N SER 57.A OG no hydrogen 3.050 N/A ARG 61.A N SER 57.A O no hydrogen 2.942 N/A ARG 61.A NH1 GLY 83.A O no hydrogen 3.116 N/A ARG 61.A NH2 HIS 81.A O no hydrogen 3.043 N/A ARG 61.A NH2 GLY 83.A O no hydrogen 2.955 N/A GLU 62.A N LEU 58.A O no hydrogen 2.887 N/A GLN 63.A N SER 59.A O no hydrogen 2.930 N/A GLN 63.A NE2.A SER 59.A O no hydrogen 3.409 N/A GLN 63.A NE2.A SER 59.A OG no hydrogen 3.253 N/A VAL 64.A N GLU 60.A O no hydrogen 3.103 N/A LEU 65.A N ARG 61.A O no hydrogen 2.970 N/A GLU 66.A N GLU 62.A O no hydrogen 2.840 N/A ILE 67.A N GLN 63.A O no hydrogen 3.060 N/A VAL 68.A N VAL 64.A O no hydrogen 2.982 N/A ALA 69.A N LEU 65.A O no hydrogen 3.014 N/A GLU 70.A N GLU 66.A O no hydrogen 3.012 N/A GLU 71.A N ILE 67.A O no hydrogen 3.039 N/A ALA 72.A N VAL 68.A O no hydrogen 2.834 N/A ALA 72.A N ALA 69.A O no hydrogen 3.311 N/A LYS 73.A N ALA 69.A O no hydrogen 2.818 N/A LYS 75.A N ALA 72.A O no hydrogen 2.906 N/A LYS 75.A NZ GLU 71.A O no hydrogen 2.937 N/A ILE 76.A N ALA 72.A O no hydrogen 3.483 N/A LYS 77.A N ASP 42.A O no hydrogen 3.093 N/A LEU 78.A N ASP 103.A OD2 no hydrogen 2.817 N/A ILE 79.A N LEU 44.A O no hydrogen 2.889 N/A ALA 80.A N ALA 104.A O no hydrogen 2.887 N/A HIS 81.A N VAL 46.A O no hydrogen 2.786 N/A VAL 82.A N SER 106.A O no hydrogen 2.783 N/A CYS 84.A N SER 90.A OG no hydrogen 2.873 N/A CYS 84.A SG VAL 82.A O no hydrogen 3.804 N/A THR 87.A OG1 HIS 123.A ND1 no hydrogen 2.780 N/A GLU 89.A N SER 86.A OG no hydrogen 3.047 N/A SER 90.A N SER 86.A O no hydrogen 3.202 N/A SER 90.A OG SER 86.A O no hydrogen 2.791 N/A GLN 91.A N THR 87.A O no hydrogen 2.866 N/A GLN 91.A NE2 ALA 126.A O no hydrogen 3.248 N/A GLN 92.A N ALA 88.A O no hydrogen 2.987 N/A LEU 93.A N GLU 89.A O no hydrogen 3.121 N/A ALA 94.A N SER 90.A O no hydrogen 2.857 N/A ALA 95.A N GLN 91.A O no hydrogen 2.986 N/A SER 96.A N GLN 92.A O no hydrogen 3.085 N/A SER 96.A OG GLU 62.A OE2 no hydrogen 2.709 N/A SER 96.A OG GLN 92.A O no hydrogen 3.254 N/A ALA 97.A N LEU 93.A O no hydrogen 2.847 N/A LYS 98.A N ALA 94.A O no hydrogen 2.999 N/A LYS 98.A NZ ASP 132.A O no hydrogen 2.927 N/A ARG 99.A N ALA 95.A O no hydrogen 2.992 N/A ARG 99.A NH2 SER 96.A OG no hydrogen 2.983 N/A TYR 100.A N SER 96.A O no hydrogen 2.995 N/A GLY 101.A N LYS 98.A O no hydrogen 3.098 N/A PHE 102.A N ALA 97.A O no hydrogen 3.131 N/A ASP 103.A N LEU 78.A O no hydrogen 2.866 N/A ALA 104.A N LEU 78.A O no hydrogen 3.249 N/A VAL 105.A N PRO 135.A O no hydrogen 2.899 N/A SER 106.A N ALA 80.A O no hydrogen 2.805 N/A SER 106.A OG TYR 45.A OH no hydrogen 2.742 N/A SER 106.A OG VAL 137.A O no hydrogen 2.647 N/A ALA 107.A N VAL 137.A O no hydrogen 3.410 N/A THR 109.A N TYR 139.A O no hydrogen 3.233 N/A TYR 113.A N PHE 111.A O no hydrogen 2.887 N/A SER 116.A N GLU 119.A OE1 no hydrogen 2.906 N/A GLU 119.A N SER 116.A OG no hydrogen 3.081 N/A HIS 120.A N SER 116.A O no hydrogen 2.962 N/A CYS 121.A N PHE 117.A O no hydrogen 2.924 N/A CYS 121.A SG PHE 117.A O no hydrogen 3.508 N/A ASP 122.A N GLU 118.A O no hydrogen 2.920 N/A HIS 123.A N GLU 119.A O no hydrogen 2.958 N/A HIS 123.A ND1 THR 87.A OG1 no hydrogen 2.780 N/A TYR 124.A N HIS 120.A O no hydrogen 3.080 N/A TYR 124.A OH ALA 107.A O no hydrogen 2.704 N/A ARG 125.A N CYS 121.A O no hydrogen 2.932 N/A ARG 125.A NH1 ASP 122.A OD1 no hydrogen 2.760 N/A ALA 126.A N ASP 122.A O no hydrogen 2.980 N/A ILE 127.A N HIS 123.A O no hydrogen 3.118 N/A ILE 128.A N TYR 124.A O no hydrogen 2.886 N/A ASP 129.A N ARG 125.A O no hydrogen 3.025 N/A SER 130.A N ALA 126.A O no hydrogen 3.084 N/A SER 130.A OG ALA 126.A O no hydrogen 3.412 N/A ALA 131.A N ILE 127.A O no hydrogen 2.912 N/A ASP 132.A N ASP 129.A O no hydrogen 3.073 N/A LEU 134.A N ALA 131.A O no hydrogen 3.203 N/A MET 136.A N GLY 162.A O no hydrogen 2.891 N/A VAL 137.A N VAL 105.A O no hydrogen 2.772 N/A VAL 138.A N ALA 165.A O no hydrogen 3.001 N/A TYR 139.A N ALA 107.A O no hydrogen 3.269 N/A TYR 139.A OH SER 49.A OG no hydrogen 2.728 N/A LEU 144.A N ILE 141.A O no hydrogen 3.198 N/A SER 145.A N ILE 141.A O no hydrogen 2.925 N/A SER 145.A OG ILE 141.A O no hydrogen 3.064 N/A GLY 146.A N PRO 142.A O no hydrogen 3.210 N/A VAL 147.A N SER 145.A OG no hydrogen 2.992 N/A THR 150.A N GLN 153.A OE1 no hydrogen 2.999 N/A GLN 153.A N THR 150.A OG1 no hydrogen 3.037 N/A ILE 154.A N THR 150.A O no hydrogen 2.906 N/A ASN 155.A N LEU 151.A O no hydrogen 2.851 N/A THR 156.A N ASP 152.A O no hydrogen 3.078 N/A THR 156.A OG1 ASP 152.A O no hydrogen 3.367 N/A LEU 157.A N GLN 153.A O no hydrogen 2.946 N/A VAL 158.A N ILE 154.A O no hydrogen 2.877 N/A THR 159.A N THR 156.A O no hydrogen 3.316 N/A THR 159.A OG1 ASN 155.A O no hydrogen 2.727 N/A THR 159.A OG1 THR 156.A O no hydrogen 3.199 N/A LEU 160.A N LEU 157.A O no hydrogen 3.203 N/A VAL 163.A N LEU 160.A O no hydrogen 3.079 N/A GLY 164.A N MET 136.A O no hydrogen 2.857 N/A LEU 166.A N VAL 186.A O no hydrogen 2.949 N/A GLN 167.A NE2 ASN 140.A OD1 no hydrogen 2.981 N/A THR 168.A N ASN 140.A O no hydrogen 2.826 N/A ASP 171.A N SER 169.A OG no hydrogen 3.073 N/A GLN 174.A N ASP 171.A OD1 no hydrogen 3.070 N/A MET 175.A N ASP 171.A O no hydrogen 3.067 N/A GLU 176.A N LEU 172.A O no hydrogen 3.251 N/A GLN 177.A N TYR 173.A O no hydrogen 2.920 N/A ILE 178.A N GLN 174.A O no hydrogen 2.865 N/A ARG 179.A N MET 175.A O no hydrogen 3.102 N/A ARG 179.A NE GLY 202.A O no hydrogen 2.804 N/A ARG 179.A NH1 HIS 182.A O no hydrogen 2.972 N/A ARG 179.A NH1 LEU 185.A O no hydrogen 2.784 N/A ARG 179.A NH2 LEU 185.A O no hydrogen 3.073 N/A ARG 179.A NH2 GLY 202.A O no hydrogen 2.931 N/A ARG 180.A N GLU 176.A O no hydrogen 2.865 N/A ARG 180.A NE GLU 176.A OE2 no hydrogen 2.824 N/A ARG 180.A NH2 GLU 176.A OE1 no hydrogen 2.848 N/A GLU 181.A N GLN 177.A O no hydrogen 3.025 N/A HIS 182.A N ILE 178.A O no hydrogen 2.934 N/A HIS 182.A N ARG 179.A O no hydrogen 3.238 N/A HIS 182.A NE2 ASN 155.A OD1 no hydrogen 2.754 N/A LEU 185.A N HIS 182.A O no hydrogen 3.155 N/A LEU 187.A N ASP 204.A OD1 no hydrogen 2.897 N/A TYR 188.A N LEU 166.A O no hydrogen 2.864 N/A TYR 188.A OH LEU 7.A O no hydrogen 2.608 N/A ASN 189.A N GLY 205.A O no hydrogen 2.924 N/A ASN 189.A ND2 TYR 191.A O no hydrogen 2.784 N/A GLY 190.A N GLN 167.A O no hydrogen 3.025 N/A ILE 194.A N TYR 191.A O no hydrogen 3.073 N/A PHE 195.A N ASP 192.A O no hydrogen 3.180 N/A ALA 196.A N GLN 237.A OE1 no hydrogen 2.817 N/A GLY 198.A N ILE 194.A O no hydrogen 2.763 N/A LEU 199.A N PHE 195.A O no hydrogen 2.880 N/A LEU 200.A N ALA 196.A O no hydrogen 2.989 N/A ALA 201.A N SER 197.A O no hydrogen 2.994 N/A GLY 202.A N GLY 198.A O no hydrogen 3.083 N/A GLY 202.A N LEU 199.A O no hydrogen 2.989 N/A ALA 203.A N GLY 198.A O no hydrogen 2.996 N/A ASP 204.A N LEU 187.A O no hydrogen 2.967 N/A GLY 206.A N GLY 9.A O no hydrogen 2.943 N/A ILE 207.A N ASN 189.A O no hydrogen 3.161 N/A GLY 208.A N MET 11.A O no hydrogen 3.348 N/A THR 210.A N ASP 192.A OD2 no hydrogen 2.969 N/A THR 210.A OG1 ASP 192.A OD2 no hydrogen 2.580 N/A THR 210.A OG1 TYR 218.A OH no hydrogen 2.722 N/A TYR 211.A N GLY 208.A O no hydrogen 3.434 N/A ASN 212.A N SER 209.A O no hydrogen 3.294 N/A ASN 212.A ND2 ALA 13.A O no hydrogen 2.795 N/A ASN 212.A ND2 SER 209.A O no hydrogen 2.918 N/A ILE 213.A N THR 210.A O no hydrogen 3.065 N/A MET 214.A N THR 210.A O no hydrogen 3.103 N/A GLY 215.A N TYR 211.A O no hydrogen 2.997 N/A TRP 216.A NE1 GLU 296.A OE2 no hydrogen 2.853 N/A ARG 217.A N MET 214.A O no hydrogen 2.892 N/A ARG 217.A NE GLU 296.A OE2 no hydrogen 3.005 N/A ARG 217.A NH2 GLU 296.A OE1 no hydrogen 2.680 N/A TYR 218.A OH THR 210.A OG1 no hydrogen 2.722 N/A GLN 219.A N GLY 215.A O no hydrogen 3.149 N/A GLN 219.A NE2 GLY 40.A O no hydrogen 3.616 N/A GLY 220.A N TRP 216.A O no hydrogen 2.871 N/A ILE 221.A N ARG 217.A O no hydrogen 2.904 N/A VAL 222.A N TYR 218.A O no hydrogen 3.033 N/A LYS 223.A N GLN 219.A O no hydrogen 3.079 N/A LYS 223.A NZ GLU 227.A OE1 no hydrogen 3.126 N/A LYS 223.A NZ GLU 227.A OE2 no hydrogen 3.189 N/A ALA 224.A N GLY 220.A O no hydrogen 2.899 N/A LEU 225.A N ILE 221.A O no hydrogen 2.957 N/A LYS 226.A N VAL 222.A O no hydrogen 2.972 N/A GLU 227.A N LYS 223.A O no hydrogen 2.934 N/A GLU 227.A N ALA 224.A O no hydrogen 3.127 N/A GLY 228.A N LEU 225.A O no hydrogen 3.156 N/A ASP 229.A N ALA 224.A O no hydrogen 2.877 N/A THR 232.A N ASP 229.A OD1 no hydrogen 3.057 N/A THR 232.A OG1 ASP 229.A OD2 no hydrogen 2.432 N/A ALA 233.A N ASP 229.A O no hydrogen 3.248 N/A GLN 234.A N ILE 230.A O no hydrogen 2.889 N/A LYS 235.A N GLN 231.A O no hydrogen 2.926 N/A LEU 236.A N THR 232.A O no hydrogen 3.075 N/A GLN 237.A N ALA 233.A O no hydrogen 2.928 N/A GLN 237.A NE2 ASP 192.A O no hydrogen 3.023 N/A GLN 237.A NE2 GLN 237.A O no hydrogen 3.606 N/A THR 238.A N GLN 234.A O no hydrogen 2.804 N/A THR 238.A OG1 GLN 234.A O no hydrogen 3.023 N/A GLU 239.A N LYS 235.A O no hydrogen 3.013 N/A CYS 240.A N LEU 236.A O no hydrogen 2.936 N/A CYS 240.A SG LEU 236.A O no hydrogen 3.447 N/A ASN 241.A N GLN 237.A O no hydrogen 2.886 N/A ASN 241.A ND2 ASN 193.A O no hydrogen 3.425 N/A LYS 242.A N THR 238.A O no hydrogen 2.991 N/A LYS 242.A NZ GLU 239.A OE2 no hydrogen 2.839 N/A VAL 243.A N GLU 239.A O no hydrogen 3.399 N/A ILE 244.A N CYS 240.A O no hydrogen 2.848 N/A ASP 245.A N ASN 241.A O no hydrogen 2.852 N/A LEU 246.A N LYS 242.A O no hydrogen 3.459 N/A LEU 247.A N VAL 243.A O no hydrogen 2.962 N/A ILE 248.A N ILE 244.A O no hydrogen 2.857 N/A LYS 249.A N ASP 245.A O no hydrogen 3.213 N/A THR 250.A N LEU 246.A O no hydrogen 2.820 N/A THR 250.A OG1 LEU 246.A O no hydrogen 3.532 N/A THR 250.A OG1 LEU 247.A O no hydrogen 3.131 N/A THR 250.A OG1 GLY 251.A O no hydrogen 2.908 N/A ARG 254.A NE THR 250.A O no hydrogen 2.791 N/A ARG 254.A NH1 THR 250.A O no hydrogen 3.430 N/A ARG 254.A NH2 GLY 276.A O no hydrogen 2.933 N/A GLY 255.A N GLY 251.A O no hydrogen 2.902 N/A LEU 256.A N VAL 252.A O no hydrogen 2.894 N/A LYS 257.A N PHE 253.A O no hydrogen 2.928 N/A LYS 257.A NZ THR 16.A O no hydrogen 2.764 N/A LYS 257.A NZ GLU 52.A OE2 no hydrogen 2.707 N/A LYS 257.A NZ LEU 270.A O no hydrogen 2.926 N/A THR 258.A N ARG 254.A O no hydrogen 2.822 N/A THR 258.A OG1 ARG 254.A O no hydrogen 2.853 N/A VAL 259.A N GLY 255.A O no hydrogen 2.920 N/A LEU 260.A N LEU 256.A O no hydrogen 2.918 N/A HIS 261.A N LYS 257.A O no hydrogen 2.829 N/A TYR 262.A N THR 258.A O no hydrogen 3.110 N/A MET 263.A N VAL 259.A O no hydrogen 2.981 N/A MET 263.A N LEU 260.A O no hydrogen 3.202 N/A ASP 264.A N HIS 261.A O no hydrogen 2.928 N/A VAL 265.A N LEU 260.A O no hydrogen 2.845 N/A VAL 266.A N LEU 260.A O no hydrogen 3.374 N/A SER 267.A N SER 28.A OG no hydrogen 2.927 N/A SER 267.A OG SER 28.A OG no hydrogen 3.060 N/A CYS 271.A SG GLU 52.A OE2 no hydrogen 3.413 N/A ARG 272.A N GLU 52.A OE1 no hydrogen 2.837 N/A ARG 272.A NE GLN 22.A O no hydrogen 2.943 N/A ARG 272.A NH1 VAL 55.A O no hydrogen 2.968 N/A ARG 272.A NH1 GLU 60.A OE1 no hydrogen 2.895 N/A ARG 272.A NH1 GLU 60.A OE2 no hydrogen 3.501 N/A ARG 272.A NH2 GLN 22.A O no hydrogen 2.914 N/A ARG 272.A NH2 GLU 60.A OE2 no hydrogen 2.981 N/A LYS 273.A N GLN 22.A OE1 no hydrogen 3.026 N/A PHE 275.A N ARG 272.A O no hydrogen 2.973 N/A LYS 281.A N ASP 279.A OD1 no hydrogen 2.988 N/A TYR 282.A N ASP 279.A O no hydrogen 2.976 N/A LEU 283.A N GLU 280.A O no hydrogen 3.073 N/A LEU 286.A N TYR 282.A O no hydrogen 3.060 N/A LYS 287.A N LEU 283.A O no hydrogen 2.797 N/A ALA 288.A N PRO 284.A O no hydrogen 3.008 N/A LEU 289.A N GLU 285.A O no hydrogen 2.978 N/A ALA 290.A N LEU 286.A O no hydrogen 3.042 N/A GLN 291.A N LYS 287.A O no hydrogen 3.033 N/A GLN 292.A N ALA 288.A O no hydrogen 2.895 N/A LEU 293.A N LEU 289.A O no hydrogen 2.906 N/A MET 294.A N ALA 290.A O no hydrogen 3.021 N/A GLN 295.A N GLN 291.A O no hydrogen 3.355 N/A GLU 296.A N LEU 293.A O no hydrogen 3.176 N/A ARG 297.A N LEU 293.A O no hydrogen 2.806 N/A