Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4hkm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N ASP 23.A OD2 no hydrogen 3.039 N/A THR 3.A N GLN 6.A OE1 no hydrogen 3.020 N/A GLN 6.A N THR 3.A OG1 no hydrogen 3.075 N/A ALA 7.A N THR 3.A O no hydrogen 2.931 N/A LEU 8.A N PRO 4.A O no hydrogen 2.871 N/A GLN 9.A N GLN 5.A O no hydrogen 2.918 N/A GLN 9.A NE2 GLU 13.A OE2 no hydrogen 2.944 N/A ARG 10.A N GLN 6.A O no hydrogen 2.917 N/A ARG 10.A NH1 GLU 16.A O no hydrogen 3.179 N/A ARG 10.A NH1 GLU 21.A OE1 no hydrogen 2.788 N/A ARG 10.A NH2 GLU 21.A OE2 no hydrogen 2.966 N/A THR 11.A N ALA 7.A O no hydrogen 3.224 N/A THR 11.A OG1 LEU 8.A O no hydrogen 2.859 N/A ILE 12.A N LEU 8.A O no hydrogen 3.067 N/A GLU 13.A N GLN 9.A O no hydrogen 3.016 N/A HIS 14.A N THR 11.A O no hydrogen 2.930 N/A ARG 15.A N ARG 10.A O no hydrogen 3.033 N/A ILE 17.A N GLU 51.A OE2 no hydrogen 2.810 N/A PHE 18.A N GLU 21.A OE1 no hydrogen 2.979 N/A ASP 23.A N ASP 20.A O no hydrogen 3.237 N/A LEU 24.A N GLU 21.A O no hydrogen 2.826 N/A ARG 25.A NE GLU 60.A OE1 no hydrogen 2.883 N/A ARG 25.A NH2 GLU 60.A OE1 no hydrogen 3.444 N/A ARG 25.A NH2 GLU 60.A OE2 no hydrogen 2.796 N/A GLN 26.A N ASP 23.A O no hydrogen 3.403 N/A GLN 26.A NE2 ILE 2.A O no hydrogen 2.994 N/A GLN 26.A NE2 ASP 23.A O no hydrogen 3.145 N/A ILE 27.A N LEU 24.A O no hydrogen 3.064 N/A ARG 28.A NE GLU 30.A OE2 no hydrogen 2.791 N/A ARG 28.A NH2 GLU 30.A OE1 no hydrogen 3.182 N/A GLY 29.A N ILE 27.A O no hydrogen 2.864 N/A GLU 30.A N GLN 26.A O no hydrogen 2.964 N/A SER 36.A N ASP 33.A O no hydrogen 2.854 N/A SER 36.A OG ASP 33.A O no hydrogen 3.357 N/A SER 36.A OG ALA 34.A O no hydrogen 3.164 N/A ALA 37.A N ALA 34.A O no hydrogen 3.172 N/A LEU 39.A N VAL 35.A O no hydrogen 2.873 N/A THR 40.A N SER 36.A O no hydrogen 2.982 N/A THR 40.A OG1 SER 36.A O no hydrogen 2.741 N/A GLY 41.A N ALA 37.A O no hydrogen 2.926 N/A LEU 42.A N ILE 38.A O no hydrogen 2.960 N/A ARG 43.A N LEU 39.A O no hydrogen 3.045 N/A ARG 43.A NH2 ARG 150.A O no hydrogen 2.691 N/A VAL 44.A N THR 40.A O no hydrogen 2.813 N/A LYS 45.A N GLY 41.A O no hydrogen 3.089 N/A LYS 45.A NZ LYS 46.A O no hydrogen 2.926 N/A LYS 45.A NZ GLU 51.A OE1 no hydrogen 2.813 N/A LYS 45.A NZ GLU 51.A OE2 no hydrogen 3.009 N/A LYS 46.A N ARG 43.A O no hydrogen 3.260 N/A GLU 47.A N GLU 47.A OE1 no hydrogen 2.685 N/A THR 48.A N GLU 51.A OE1 no hydrogen 2.798 N/A THR 48.A OG1 GLU 16.A OE2 no hydrogen 3.122 N/A GLU 51.A N THR 48.A OG1 no hydrogen 3.093 N/A ILE 52.A N THR 48.A O no hydrogen 2.983 N/A ALA 53.A N ILE 49.A O no hydrogen 2.912 N/A GLY 54.A N GLY 50.A O no hydrogen 3.006 N/A ALA 55.A N GLU 51.A O no hydrogen 3.016 N/A ALA 56.A N ILE 52.A O no hydrogen 2.854 N/A THR 57.A N ALA 53.A O no hydrogen 2.935 N/A THR 57.A OG1 ALA 53.A O no hydrogen 2.811 N/A VAL 58.A N GLY 54.A O no hydrogen 3.422 N/A VAL 58.A N ALA 55.A O no hydrogen 3.106 N/A ARG 59.A NE LEU 159.A O no hydrogen 2.990 N/A ARG 59.A NH2 LEU 159.A O no hydrogen 3.172 N/A GLU 60.A N THR 57.A O no hydrogen 3.197 N/A PHE 61.A N VAL 58.A O no hydrogen 2.948 N/A SER 62.A N ARG 59.A O no hydrogen 3.093 N/A SER 62.A OG.A ARG 59.A O no hydrogen 2.576 N/A SER 62.A OG.B HIS 136.A ND1 no hydrogen 2.935 N/A ARG 63.A N HIS 135.A O no hydrogen 2.926 N/A ARG 63.A NH1 GLN 115.A OE1 no hydrogen 2.964 N/A ARG 63.A NH2 GLN 115.A OE1 no hydrogen 3.062 N/A VAL 65.A N PRO 162.A O no hydrogen 2.822 N/A ARG 70.A NE ALA 163.A O no hydrogen 3.349 N/A ARG 70.A NH2 ALA 163.A O no hydrogen 2.928 N/A ARG 71.A N ASP 69.A OD1 no hydrogen 3.197 N/A ARG 71.A NE ASP 69.A OD1 no hydrogen 2.761 N/A ARG 71.A NE ASP 69.A OD2 no hydrogen 3.399 N/A ARG 71.A NH2 ASP 69.A OD2 no hydrogen 2.755 N/A HIS 72.A ND1 ALA 266.A O no hydrogen 3.202 N/A ASP 74.A N ASN 167.A O no hydrogen 2.851 N/A ILE 75.A N ALA 97.A O no hydrogen 2.857 N/A VAL 76.A N LEU 169.A O no hydrogen 2.959 N/A THR 78.A N ASP 201.A OD2 no hydrogen 2.755 N/A THR 78.A OG1 ASP 201.A OD2 no hydrogen 3.293 N/A THR 79.A OG1 PHE 80.A O no hydrogen 3.486 N/A ILE 82.A N PHE 80.A O no hydrogen 2.901 N/A THR 84.A OG1 SER 101.A OG no hydrogen 3.154 N/A CYS 85.A N ASN 81.A O no hydrogen 3.048 N/A CYS 85.A SG LEU 240.A O no hydrogen 3.814 N/A ALA 86.A N ILE 82.A O no hydrogen 2.782 N/A ALA 89.A N ALA 86.A O no hydrogen 2.890 N/A ALA 91.A N PHE 87.A O no hydrogen 2.945 N/A GLY 92.A N VAL 88.A O no hydrogen 2.967 N/A GLY 93.A N ALA 90.A O no hydrogen 3.280 N/A ALA 94.A N ALA 89.A O no hydrogen 2.978 N/A LYS 95.A N HIS 72.A O no hydrogen 2.977 N/A LYS 95.A NZ ASP 69.A OD2 no hydrogen 2.902 N/A VAL 96.A N GLY 127.A O no hydrogen 2.743 N/A ALA 97.A N VAL 73.A O no hydrogen 2.978 N/A LYS 98.A N GLY 129.A O no hydrogen 2.799 N/A LYS 98.A NZ HIS 99.A O no hydrogen 2.944 N/A SER 101.A OG THR 84.A OG1 no hydrogen 3.154 N/A LEU 105.A N SER 101.A O no hydrogen 3.112 N/A ALA 107.A N ASP 103.A O no hydrogen 3.368 N/A LEU 108.A N LEU 105.A O no hydrogen 3.206 N/A ALA 110.A N LEU 105.A O no hydrogen 2.918 N/A VAL 111.A N THR 299.A OG1 no hydrogen 3.027 N/A LEU 114.A N ILE 112.A O no hydrogen 2.768 N/A GLN 115.A N GLN 118.A OE1 no hydrogen 2.929 N/A GLU 117.A N GLU 117.A OE1 no hydrogen 2.571 N/A GLN 118.A N GLN 115.A O no hydrogen 2.703 N/A GLN 118.A NE2 ALA 302.A O no hydrogen 3.194 N/A VAL 119.A N GLN 115.A O no hydrogen 3.139 N/A ALA 120.A N PRO 116.A O no hydrogen 3.136 N/A ALA 121.A N GLU 117.A O no hydrogen 3.208 N/A SER 122.A N GLN 118.A O no hydrogen 2.946 N/A SER 122.A OG VAL 119.A O no hydrogen 2.825 N/A SER 122.A OG ILE 128.A O no hydrogen 2.860 N/A LEU 123.A N VAL 119.A O no hydrogen 2.955 N/A ALA 124.A N ALA 120.A O no hydrogen 3.120 N/A GLN 125.A N ALA 121.A O no hydrogen 2.971 N/A THR 126.A N SER 122.A O no hydrogen 2.685 N/A THR 126.A OG1 SER 122.A O no hydrogen 2.688 N/A GLY 127.A N LEU 123.A O no hydrogen 2.947 N/A ILE 128.A N THR 126.A OG1 no hydrogen 3.230 N/A GLY 129.A N VAL 96.A O no hydrogen 2.706 N/A ALA 132.A N GLY 100.A O no hydrogen 3.133 N/A VAL 134.A N TYR 131.A O no hydrogen 2.933 N/A HIS 135.A N TYR 131.A O no hydrogen 3.199 N/A HIS 135.A ND1 ARG 63.A O no hydrogen 2.885 N/A HIS 136.A N ALA 132.A O no hydrogen 2.639 N/A HIS 136.A NE2 HIS 99.A NE2 no hydrogen 2.912 N/A LYS 139.A NZ PRO 137.A O no hydrogen 2.378 N/A VAL 140.A N ALA 138.A O no hydrogen 2.905 N/A ARG 145.A N VAL 141.A O no hydrogen 3.016 N/A ARG 146.A N ALA 142.A O no hydrogen 2.970 N/A GLU 147.A N PRO 143.A O no hydrogen 2.980 N/A THR 151.A N ASN 154.A OD1 no hydrogen 2.899 N/A PHE 153.A N THR 151.A OG1 no hydrogen 3.182 N/A ASN 154.A N THR 151.A O no hydrogen 3.001 N/A ILE 155.A N ILE 152.A O no hydrogen 3.004 N/A LEU 156.A N PHE 153.A O no hydrogen 3.317 N/A LEU 159.A N LEU 156.A O no hydrogen 2.935 N/A THR 160.A N GLY 157.A O no hydrogen 3.157 N/A THR 160.A OG1 GLY 157.A O no hydrogen 2.955 N/A ASN 161.A ND2 SER 165.A O no hydrogen 2.778 N/A GLY 164.A N ASN 161.A O no hydrogen 2.780 N/A SER 165.A N ASN 161.A OD1 no hydrogen 3.032 N/A SER 165.A OG ASN 167.A O no hydrogen 2.713 N/A ASN 167.A N SER 165.A OG no hydrogen 3.078 N/A ILE 168.A N ARG 191.A O no hydrogen 3.058 N/A LEU 169.A N ASP 74.A O no hydrogen 2.771 N/A VAL 171.A N VAL 195.A O no hydrogen 2.879 N/A ASP 175.A N HIS 173.A ND1 no hydrogen 3.128 N/A LEU 176.A N HIS 173.A O no hydrogen 2.991 N/A VAL 177.A N PRO 174.A O no hydrogen 3.067 N/A ILE 179.A N ASP 175.A O no hydrogen 3.313 N/A GLN 180.A N LEU 176.A O no hydrogen 2.853 N/A GLN 180.A NE2 ILE 155.A O no hydrogen 3.045 N/A ALA 181.A N VAL 177.A O no hydrogen 3.225 N/A ARG 182.A N GLY 178.A O no hydrogen 3.387 N/A ARG 182.A NH1 GLY 178.A O no hydrogen 3.157 N/A ARG 182.A NH1 GLU 221.A OE1 no hydrogen 3.256 N/A VAL 183.A N ILE 179.A O no hydrogen 2.876 N/A LEU 184.A N GLN 180.A O no hydrogen 2.852 N/A GLN 185.A N ALA 181.A O no hydrogen 3.094 N/A GLN 185.A NE2 GLY 217.A O no hydrogen 2.929 N/A GLU 186.A N ARG 182.A O no hydrogen 2.989 N/A LEU 187.A N VAL 183.A O no hydrogen 2.841 N/A GLY 188.A N GLN 185.A O no hydrogen 3.016 N/A ALA 189.A N LEU 184.A O no hydrogen 2.946 N/A GLU 190.A N PRO 166.A O no hydrogen 2.834 N/A ARG 191.A N PRO 166.A O no hydrogen 3.252 N/A ARG 191.A NE VAL 265.A O no hydrogen 2.917 N/A ARG 191.A NH2 VAL 265.A O no hydrogen 3.398 N/A ALA 192.A N LEU 214.A O no hydrogen 3.001 N/A LEU 193.A N ILE 168.A O no hydrogen 2.981 N/A VAL 194.A N GLY 212.A O no hydrogen 2.837 N/A TRP 196.A N LEU 210.A O no hydrogen 2.983 N/A ARG 198.A N GLY 208.A O no hydrogen 2.902 N/A ARG 198.A NH2 GLU 223.A OE2 no hydrogen 3.391 N/A GLY 200.A N GLY 197.A O no hydrogen 2.904 N/A LEU 203.A N ASN 258.A OD1 no hydrogen 3.062 N/A SER 204.A N THR 209.A OG1 no hydrogen 2.960 N/A SER 204.A OG ASP 199.A OD1 no hydrogen 2.902 N/A SER 204.A OG ASP 199.A OD2 no hydrogen 2.739 N/A GLY 206.A N SER 204.A OG no hydrogen 3.158 N/A THR 209.A N VAL 224.A O no hydrogen 2.828 N/A LEU 210.A N TRP 196.A O no hydrogen 2.795 N/A VAL 211.A N TYR 222.A O no hydrogen 2.798 N/A GLY 212.A N VAL 194.A O no hydrogen 2.785 N/A GLU 213.A N HIS 220.A O no hydrogen 2.791 N/A LEU 214.A N ALA 192.A O no hydrogen 2.889 N/A ARG 215.A N GLN 218.A O no hydrogen 2.822 N/A GLN 218.A N ARG 215.A O no hydrogen 3.003 N/A HIS 220.A N GLU 213.A O no hydrogen 2.845 N/A TYR 222.A N VAL 211.A O no hydrogen 2.953 N/A TYR 222.A OH GLU 213.A OE1 no hydrogen 2.671 N/A VAL 224.A N THR 209.A O no hydrogen 2.988 N/A HIS 225.A N ASP 228.A OD2 no hydrogen 2.816 N/A GLU 227.A N GLU 227.A OE1 no hydrogen 2.760 N/A ASP 228.A N HIS 225.A O no hydrogen 3.040 N/A PHE 229.A N PRO 226.A O no hydrogen 2.949 N/A GLY 230.A N GLU 227.A O no hydrogen 3.047 N/A ILE 231.A N PRO 226.A O no hydrogen 3.143 N/A SER 237.A OG ASN 81.A OD1 no hydrogen 2.995 N/A LEU 241.A N ARG 238.A O no hydrogen 3.031 N/A GLN 242.A N ALA 239.A O no hydrogen 3.028 N/A LEU 244.A N LEU 240.A O no hydrogen 3.319 N/A ASP 245.A N LEU 241.A O no hydrogen 3.176 N/A ASP 245.A N GLN 242.A O no hydrogen 3.164 N/A ASN 246.A N VAL 243.A O no hydrogen 2.845 N/A VAL 247.A N GLN 242.A O no hydrogen 3.051 N/A ASP 253.A N GLY 249.A O no hydrogen 3.091 N/A ILE 254.A N PRO 250.A O no hydrogen 2.989 N/A VAL 255.A N ALA 251.A O no hydrogen 3.294 N/A ALA 256.A N LEU 252.A O no hydrogen 2.829 N/A LEU 257.A N ASP 253.A O no hydrogen 2.955 N/A ASN 258.A N ILE 254.A O no hydrogen 3.088 N/A ASN 258.A ND2 LEU 203.A O no hydrogen 3.062 N/A ASN 258.A ND2 ILE 254.A O no hydrogen 2.824 N/A ALA 259.A N VAL 255.A O no hydrogen 2.780 N/A GLY 260.A N ALA 256.A O no hydrogen 2.862 N/A ALA 261.A N LEU 257.A O no hydrogen 3.065 N/A ALA 262.A N ASN 258.A O no hydrogen 3.053 N/A LEU 263.A N ALA 259.A O no hydrogen 2.965 N/A TYR 264.A N GLY 260.A O no hydrogen 2.958 N/A TYR 264.A OH GLU 213.A OE2 no hydrogen 2.634 N/A VAL 265.A N ALA 261.A O no hydrogen 3.006 N/A ALA 266.A N ALA 262.A O no hydrogen 2.931 N/A GLY 267.A N TYR 264.A O no hydrogen 3.073 N/A VAL 268.A N LEU 263.A O no hydrogen 2.973 N/A ALA 269.A N LEU 263.A O no hydrogen 3.057 N/A ASP 270.A N ASP 274.A OD2 no hydrogen 2.948 N/A ASP 274.A N SER 271.A OG no hydrogen 2.854 N/A GLY 275.A N SER 271.A O no hydrogen 2.890 N/A ILE 276.A N ILE 272.A O no hydrogen 2.895 N/A VAL 277.A N ALA 273.A O no hydrogen 3.196 N/A ARG 278.A N ASP 274.A O no hydrogen 3.183 N/A ARG 278.A NE ASP 274.A OD2 no hydrogen 3.227 N/A ALA 279.A N GLY 275.A O no hydrogen 2.868 N/A ARG 280.A N ILE 276.A O no hydrogen 2.843 N/A ARG 280.A NH1 ASP 253.A OD1 no hydrogen 3.204 N/A ARG 280.A NH2 ASP 253.A OD1 no hydrogen 3.416 N/A GLN 281.A N VAL 277.A O no hydrogen 3.066 N/A VAL 282.A N ARG 278.A O no hydrogen 3.109 N/A LEU 283.A N ALA 279.A O no hydrogen 3.145 N/A ALA 284.A N ARG 280.A O no hydrogen 2.940 N/A ASP 285.A N GLN 281.A O no hydrogen 2.958 N/A SER 287.A N ASP 285.A OD1 no hydrogen 2.916 N/A SER 287.A OG VAL 282.A O no hydrogen 3.426 N/A SER 287.A OG ASP 285.A OD1 no hydrogen 2.649 N/A ALA 288.A N VAL 282.A O no hydrogen 3.060 N/A ALA 290.A N GLY 286.A O no hydrogen 3.007 N/A CYS 291.A N SER 287.A O no hydrogen 3.072 N/A CYS 291.A SG THR 126.A O no hydrogen 3.471 N/A LEU 292.A N ALA 288.A O no hydrogen 3.172 N/A ASP 293.A N ARG 289.A O no hydrogen 3.111 N/A ALA 294.A N ALA 290.A O no hydrogen 2.839 N/A TYR 295.A N CYS 291.A O no hydrogen 2.939 N/A VAL 296.A N LEU 292.A O no hydrogen 2.997 N/A ALA 297.A N ASP 293.A O no hydrogen 3.010 N/A PHE 298.A N ALA 294.A O no hydrogen 2.964 N/A THR 299.A N TYR 295.A O no hydrogen 2.924 N/A THR 299.A OG1 VAL 296.A O no hydrogen 2.820 N/A GLN 300.A N VAL 296.A O no hydrogen 3.020 N/A GLN 300.A NE2 GLY 109.A O no hydrogen 2.477 N/A GLN 301.A N ALA 297.A O no hydrogen 3.042 N/A ALA 302.A N PHE 298.A O no hydrogen 2.883 N/A THR 303.A OG1 THR 299.A O no hydrogen 2.858 N/A