Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mdc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N HIS 2.A O no hydrogen 2.646 N/A LYS 6.A N ILE 3.A O no hydrogen 3.347 N/A LYS 6.A NZ GLU 5.A OE2 no hydrogen 3.139 N/A LEU 7.A N ILE 3.A O no hydrogen 3.201 N/A GLU 8.A N THR 4.A O no hydrogen 2.994 N/A ALA 11.A N LEU 7.A O no hydrogen 2.943 N/A LYS 12.A N GLU 8.A O no hydrogen 2.991 N/A LYS 12.A NZ GLU 83.A OE2 no hydrogen 2.735 N/A ALA 13.A N VAL 9.A O no hydrogen 2.966 N/A TYR 14.A N LEU 10.A O no hydrogen 3.038 N/A SER 15.A N ALA 11.A O no hydrogen 3.032 N/A VAL 16.A N LYS 12.A O no hydrogen 2.906 N/A GLN 17.A N ALA 13.A O no hydrogen 3.171 N/A GLY 18.A N SER 15.A O no hydrogen 3.011 N/A ASP 19.A N TYR 14.A O no hydrogen 2.889 N/A ARG 22.A NE ASP 19.A OD2 no hydrogen 3.299 N/A ALA 23.A N ASP 19.A O no hydrogen 2.986 N/A LEU 24.A N LYS 20.A O no hydrogen 2.854 N/A GLY 25.A N TRP 21.A O no hydrogen 2.974 N/A TYR 26.A N ARG 22.A O no hydrogen 2.925 N/A ALA 27.A N ALA 23.A O no hydrogen 2.773 N/A LYS 28.A N LEU 24.A O no hydrogen 3.004 N/A ALA 29.A N GLY 25.A O no hydrogen 3.016 N/A ILE 30.A N TYR 26.A O no hydrogen 2.909 N/A ASN 31.A N ALA 27.A O no hydrogen 3.002 N/A ALA 32.A N LYS 28.A O no hydrogen 3.094 N/A LEU 33.A N ALA 29.A O no hydrogen 2.985 N/A LYS 34.A N ASN 31.A O no hydrogen 2.752 N/A SER 35.A N ASN 31.A O no hydrogen 3.227 N/A SER 35.A OG ASN 31.A O no hydrogen 3.190 N/A THR 41.A N GLU 45.A OE1 no hydrogen 2.623 N/A ALA 46.A N SER 42.A O no hydrogen 2.936 N/A CYS 47.A N TYR 43.A O no hydrogen 3.008 N/A CYS 47.A SG TYR 43.A O no hydrogen 3.112 N/A SER 48.A N GLN 44.A O no hydrogen 3.246 N/A SER 48.A N GLU 45.A O no hydrogen 3.046 N/A SER 48.A OG GLU 45.A O no hydrogen 2.677 N/A ILE 49.A N ALA 46.A O no hydrogen 2.868 N/A ILE 52.A N ILE 49.A O no hydrogen 2.954 N/A ALA 57.A N GLY 53.A O no hydrogen 2.896 N/A GLU 58.A N LYS 54.A O no hydrogen 2.745 N/A LYS 59.A N ARG 55.A O no hydrogen 3.211 N/A LYS 59.A N MET 56.A O no hydrogen 3.197 N/A ILE 60.A N MET 56.A O no hydrogen 3.060 N/A ILE 60.A N ALA 57.A O no hydrogen 2.930 N/A ILE 61.A N ALA 57.A O no hydrogen 3.024 N/A ILE 63.A N ILE 60.A O no hydrogen 3.165 N/A SER 66.A N GLU 62.A O no hydrogen 3.261 N/A SER 66.A OG GLU 62.A O no hydrogen 2.725 N/A SER 66.A OG HIS 68.A O no hydrogen 3.468 N/A HIS 68.A NE2 ASP 73.A OD1 no hydrogen 3.033 N/A HIS 68.A NE2 ASP 73.A OD2 no hydrogen 2.982 N/A ARG 70.A N GLU 62.A OE1 no hydrogen 3.197 N/A LEU 72.A N LEU 69.A O no hydrogen 2.886 N/A ASP 73.A N ARG 70.A O no hydrogen 2.870 N/A HIS 74.A N LYS 71.A O no hydrogen 3.133 N/A SER 76.A OG SER 78.A OG no hydrogen 2.762 N/A SER 78.A N SER 76.A OG no hydrogen 3.064 N/A SER 78.A OG SER 76.A OG no hydrogen 2.762 N/A VAL 79.A N SER 76.A O no hydrogen 3.187 N/A LEU 82.A N SER 78.A O no hydrogen 2.836 N/A GLU 83.A N VAL 79.A O no hydrogen 2.947 N/A LEU 84.A N PRO 80.A O no hydrogen 3.059 N/A PHE 85.A N VAL 81.A O no hydrogen 2.978 N/A SER 86.A N LEU 82.A O no hydrogen 2.800 N/A ASN 87.A N GLU 83.A O no hydrogen 2.989 N/A ASN 87.A N LEU 84.A O no hydrogen 3.296 N/A ILE 88.A N PHE 85.A O no hydrogen 2.974 N/A ALA 91.A N ILE 88.A O no hydrogen 3.058 N/A THR 93.A OG1 VAL 16.A O no hydrogen 3.032 N/A ALA 96.A N GLY 92.A O no hydrogen 3.012 N/A GLN 97.A N THR 93.A O no hydrogen 2.991 N/A GLN 97.A NE2 THR 93.A O no hydrogen 3.249 N/A MET 98.A N LYS 94.A O no hydrogen 3.067 N/A TRP 99.A N THR 95.A O no hydrogen 2.945 N/A TYR 100.A N ALA 96.A O no hydrogen 2.939 N/A GLN 101.A N GLN 97.A O no hydrogen 2.818 N/A GLN 102.A N MET 98.A O no hydrogen 2.914 N/A GLY 103.A N TYR 100.A O no hydrogen 2.931 N/A PHE 104.A N TRP 99.A O no hydrogen 2.857 N/A ARG 105.A N ASP 109.A OD1 no hydrogen 2.844 N/A ARG 105.A NH1 TYR 100.A O no hydrogen 3.079 N/A ARG 105.A NH1 PHE 104.A O no hydrogen 2.880 N/A ASP 109.A N SER 106.A OG no hydrogen 2.914 N/A ILE 110.A N SER 106.A O no hydrogen 2.997 N/A ARG 111.A N LEU 107.A O no hydrogen 2.782 N/A ARG 111.A NE GLU 108.A OE1 no hydrogen 3.011 N/A ARG 111.A NE GLU 108.A OE2 no hydrogen 3.228 N/A ARG 111.A NH2 GLU 108.A OE2 no hydrogen 2.490 N/A SER 112.A N GLU 108.A O no hydrogen 3.082 N/A SER 112.A OG GLU 108.A O no hydrogen 2.978 N/A SER 112.A OG ASP 109.A O no hydrogen 3.315 N/A GLN 113.A N ASP 109.A O no hydrogen 2.998 N/A GLN 113.A NE2 SER 112.A OG no hydrogen 2.851 N/A ALA 114.A N ILE 110.A O no hydrogen 3.069 N/A THR 117.A N GLN 120.A OE1 no hydrogen 3.164 N/A GLN 119.A NE2 LEU 208.A O no hydrogen 2.680 N/A GLN 120.A N THR 117.A OG1 no hydrogen 2.967 N/A GLN 120.A NE2 GLY 90.A O no hydrogen 2.897 N/A ALA 121.A N THR 117.A O no hydrogen 2.885 N/A ILE 122.A N THR 118.A O no hydrogen 3.152 N/A GLY 123.A N GLN 119.A O no hydrogen 2.743 N/A LEU 124.A N GLN 120.A O no hydrogen 2.713 N/A LYS 125.A N ALA 121.A O no hydrogen 2.991 N/A LYS 125.A NZ HIS 126.A NE2 no hydrogen 3.430 N/A HIS 126.A N ILE 122.A O no hydrogen 3.086 N/A HIS 126.A NE2 ASP 206.A OD1 no hydrogen 3.036 N/A TYR 127.A N LEU 124.A O no hydrogen 3.022 N/A TYR 127.A OH LEU 84.A O no hydrogen 2.685 N/A PHE 130.A N HIS 126.A O no hydrogen 2.920 N/A LEU 131.A N SER 128.A O no hydrogen 2.914 N/A GLU 132.A N ASP 129.A O no hydrogen 3.034 N/A ARG 133.A NE THR 171.A OG1 no hydrogen 2.810 N/A ARG 133.A NH2 THR 171.A O no hydrogen 2.857 N/A MET 134.A N CYS 172.A O no hydrogen 2.943 N/A ARG 136.A N ALA 170.A O no hydrogen 2.906 N/A ARG 136.A NH1 TYR 165.A O no hydrogen 3.043 N/A ARG 136.A NH1 LYS 169.A O no hydrogen 2.875 N/A ARG 136.A NH2 TYR 165.A O no hydrogen 3.388 N/A GLU 138.A N PRO 135.A O no hydrogen 2.754 N/A ALA 139.A N PRO 135.A O no hydrogen 3.359 N/A THR 140.A N ARG 136.A O no hydrogen 3.093 N/A THR 140.A OG1 ARG 136.A O no hydrogen 3.074 N/A THR 140.A OG1 TYR 165.A OH no hydrogen 2.886 N/A GLU 141.A N GLU 137.A O no hydrogen 3.272 N/A ILE 142.A N GLU 138.A O no hydrogen 3.008 N/A GLU 143.A N ALA 139.A O no hydrogen 2.901 N/A GLN 144.A N THR 140.A O no hydrogen 2.964 N/A THR 145.A N GLU 141.A O no hydrogen 3.027 N/A THR 145.A OG1 GLU 141.A O no hydrogen 2.684 N/A VAL 146.A N ILE 142.A O no hydrogen 3.132 N/A GLN 147.A N GLU 143.A O no hydrogen 2.852 N/A LYS 148.A N GLN 144.A O no hydrogen 2.811 N/A ALA 149.A N THR 145.A O no hydrogen 3.236 N/A ALA 150.A N VAL 146.A O no hydrogen 2.898 N/A GLN 151.A N GLN 147.A O no hydrogen 2.698 N/A PHE 153.A N ALA 150.A O no hydrogen 3.246 N/A ASN 154.A N ALA 150.A O no hydrogen 3.398 N/A GLY 156.A N ASN 154.A OD1 no hydrogen 3.025 N/A LEU 157.A N ASN 154.A O no hydrogen 2.955 N/A LEU 158.A N THR 180.A O no hydrogen 2.731 N/A VAL 160.A N LEU 178.A O no hydrogen 2.806 N/A CYS 162.A N ASP 176.A O no hydrogen 2.661 N/A CYS 162.A SG VAL 160.A O no hydrogen 3.545 N/A GLY 163.A N PHE 253.A O no hydrogen 2.721 N/A TYR 165.A OH THR 140.A OG1 no hydrogen 2.886 N/A ARG 166.A N CYS 162.A O no hydrogen 3.067 N/A ARG 166.A NH1 THR 254.A OG1 no hydrogen 2.738 N/A ARG 166.A NH1 GLU 293.A OE1 no hydrogen 2.970 N/A ARG 166.A NH1 GLU 293.A OE2 no hydrogen 3.569 N/A ARG 166.A NH2 GLU 293.A OE2 no hydrogen 2.932 N/A ARG 167.A N GLY 163.A O no hydrogen 3.068 N/A ARG 167.A NE ASP 311.A OD2 no hydrogen 2.766 N/A ARG 167.A NH1 THR 254.A O no hydrogen 2.884 N/A ARG 167.A NH2 ASP 311.A OD2 no hydrogen 3.237 N/A GLY 168.A N TYR 165.A O no hydrogen 2.908 N/A LYS 169.A N SER 164.A O no hydrogen 2.990 N/A LYS 169.A NZ ASP 311.A OD1 no hydrogen 2.932 N/A CYS 172.A N MET 134.A O no hydrogen 2.967 N/A VAL 175.A N ARG 235.A O no hydrogen 3.081 N/A VAL 177.A N ASP 237.A O no hydrogen 2.788 N/A LEU 178.A N VAL 160.A O no hydrogen 2.810 N/A ILE 179.A N ILE 239.A O no hydrogen 2.853 N/A THR 180.A N LEU 158.A O no hydrogen 2.932 N/A THR 180.A OG1 VAL 241.A O no hydrogen 2.586 N/A HIS 181.A NE2 ASN 154.A OD1 no hydrogen 2.850 N/A ASP 183.A N HIS 181.A ND1 no hydrogen 3.259 N/A GLY 184.A N HIS 181.A O no hydrogen 2.821 N/A ARG 185.A N ASP 183.A OD1 no hydrogen 2.828 N/A SER 186.A N ASP 183.A OD1 no hydrogen 2.941 N/A SER 186.A OG ASP 183.A OD1 no hydrogen 3.422 N/A SER 186.A OG ASP 183.A OD2 no hydrogen 2.774 N/A ARG 188.A N ARG 185.A O no hydrogen 3.279 N/A LEU 194.A N ILE 190.A O no hydrogen 2.870 N/A LEU 195.A N PHE 191.A O no hydrogen 2.766 N/A ASP 196.A N SER 192.A O no hydrogen 2.993 N/A SER 197.A N ARG 193.A O no hydrogen 2.927 N/A LEU 198.A N LEU 194.A O no hydrogen 2.892 N/A ARG 199.A N LEU 195.A O no hydrogen 2.818 N/A ARG 199.A NH1 ASP 196.A OD1 no hydrogen 3.178 N/A ARG 199.A NH1 GLU 212.A OE1 no hydrogen 3.303 N/A ARG 199.A NH2 ASP 207.A OD2 no hydrogen 2.503 N/A ARG 199.A NH2 GLU 212.A OE1 no hydrogen 3.548 N/A ARG 199.A NH2 GLU 212.A OE2 no hydrogen 2.801 N/A GLN 200.A N ASP 196.A O no hydrogen 2.757 N/A GLU 201.A N SER 197.A O no hydrogen 3.292 N/A GLY 202.A N ARG 199.A O no hydrogen 2.776 N/A PHE 203.A N LEU 198.A O no hydrogen 3.028 N/A LEU 204.A N LEU 198.A O no hydrogen 3.438 N/A THR 205.A N VAL 223.A O no hydrogen 2.736 N/A THR 205.A OG1 ASP 206.A OD1 no hydrogen 2.773 N/A ASP 206.A N VAL 223.A O no hydrogen 3.460 N/A LEU 208.A N LEU 221.A O no hydrogen 2.804 N/A VAL 209.A N LEU 221.A O no hydrogen 2.909 N/A SER 210.A OG GLU 212.A OE2 no hydrogen 2.720 N/A ASN 214.A N GLN 211.A O no hydrogen 3.324 N/A GLN 217.A N ASN 214.A O no hydrogen 3.039 N/A GLN 217.A NE2 SER 210.A OG no hydrogen 3.038 N/A GLN 217.A NE2 LYS 219.A O no hydrogen 2.882 N/A TYR 220.A N ILE 238.A O no hydrogen 2.761 N/A TYR 220.A OH ASP 207.A OD1 no hydrogen 2.720 N/A LEU 221.A N VAL 209.A O no hydrogen 2.891 N/A GLY 222.A N LEU 236.A O no hydrogen 2.940 N/A VAL 223.A N ASP 206.A O no hydrogen 2.828 N/A CYS 224.A N ARG 234.A O no hydrogen 2.938 N/A CYS 224.A SG ARG 234.A O no hydrogen 3.792 N/A ARG 225.A N PHE 203.A O no hydrogen 3.146 N/A ARG 231.A NE PRO 227.A O no hydrogen 3.461 N/A ARG 231.A NH1 GLU 141.A OE2 no hydrogen 3.096 N/A ARG 231.A NH2 GLU 141.A OE1 no hydrogen 2.915 N/A ARG 231.A NH2 GLU 141.A OE2 no hydrogen 3.260 N/A ARG 232.A NE ASP 129.A OD2 no hydrogen 3.049 N/A ARG 232.A NH2 ASP 129.A OD2 no hydrogen 3.029 N/A HIS 233.A N ASP 129.A OD1 no hydrogen 2.818 N/A ARG 234.A N CYS 224.A O no hydrogen 2.766 N/A ARG 234.A NE GLU 138.A OE1 no hydrogen 3.239 N/A ARG 234.A NE GLU 138.A OE2 no hydrogen 3.215 N/A ARG 234.A NH2 GLU 138.A OE1 no hydrogen 2.838 N/A ARG 235.A NH1.A GLY 222.A O no hydrogen 3.100 N/A ARG 235.A NH1.A LEU 236.A O no hydrogen 3.416 N/A ARG 235.A NH1.A ASP 237.A OD2 no hydrogen 2.771 N/A ARG 235.A NH2.A ASP 237.A OD1 no hydrogen 3.371 N/A ARG 235.A NH2.A ASP 237.A OD2 no hydrogen 2.716 N/A LEU 236.A N GLY 222.A O no hydrogen 2.860 N/A ASP 237.A N VAL 175.A O no hydrogen 2.860 N/A ILE 238.A N TYR 220.A O no hydrogen 2.795 N/A ILE 239.A N VAL 177.A O no hydrogen 3.048 N/A VAL 240.A N GLN 218.A O no hydrogen 3.065 N/A VAL 241.A N ILE 179.A O no hydrogen 2.947 N/A GLU 245.A N PRO 242.A O no hydrogen 2.779 N/A PHE 246.A N TYR 243.A O no hydrogen 3.058 N/A CYS 248.A SG THR 290.A OG1 no hydrogen 3.531 N/A ALA 249.A N GLU 245.A O no hydrogen 2.910 N/A LEU 250.A N PHE 246.A O no hydrogen 2.801 N/A LEU 251.A N ALA 247.A O no hydrogen 2.915 N/A TYR 252.A N CYS 248.A O no hydrogen 2.878 N/A PHE 253.A N ALA 249.A O no hydrogen 2.943 N/A THR 254.A N LEU 251.A O no hydrogen 3.289 N/A THR 254.A OG1 LEU 250.A O no hydrogen 2.733 N/A GLY 255.A N LEU 251.A O no hydrogen 3.339 N/A GLY 255.A N TYR 252.A O no hydrogen 3.309 N/A SER 256.A N ARG 310.A O no hydrogen 3.069 N/A SER 256.A OG ARG 310.A O no hydrogen 3.445 N/A SER 256.A OG TRP 312.A OXT no hydrogen 2.733 N/A PHE 259.A N SER 256.A OG no hydrogen 3.053 N/A ASN 260.A N SER 256.A O no hydrogen 2.854 N/A ASN 260.A ND2 TYR 252.A O no hydrogen 2.788 N/A ARG 261.A N ALA 257.A O no hydrogen 2.952 N/A SER 262.A N HIS 258.A O no hydrogen 2.922 N/A SER 262.A OG HIS 258.A O no hydrogen 3.142 N/A MET 263.A N PHE 259.A O no hydrogen 2.902 N/A ARG 264.A N ASN 260.A O no hydrogen 2.852 N/A ARG 264.A NH1 GLU 276.A OE1 no hydrogen 2.998 N/A ARG 264.A NH2 GLU 276.A OE1 no hydrogen 2.925 N/A ALA 265.A N ARG 261.A O no hydrogen 2.843 N/A LEU 266.A N SER 262.A O no hydrogen 2.948 N/A ALA 267.A N MET 263.A O no hydrogen 2.986 N/A LYS 268.A N ARG 264.A O no hydrogen 3.248 N/A THR 269.A N ALA 265.A O no hydrogen 3.399 N/A THR 269.A OG1 LEU 266.A O no hydrogen 2.805 N/A LYS 270.A N LEU 266.A O no hydrogen 3.186 N/A LYS 270.A N ALA 267.A O no hydrogen 3.115 N/A GLY 271.A N LYS 268.A O no hydrogen 3.152 N/A MET 272.A N ALA 267.A O no hydrogen 2.657 N/A SER 273.A N SER 280.A O no hydrogen 2.635 N/A SER 275.A N ALA 278.A O no hydrogen 2.949 N/A SER 275.A OG ALA 278.A O no hydrogen 3.421 N/A GLU 276.A N GLU 276.A OE1 no hydrogen 2.656 N/A HIS 277.A N SER 275.A OG no hydrogen 2.879 N/A HIS 277.A ND1 GLU 245.A OE1 no hydrogen 2.870 N/A ALA 278.A N SER 275.A OG no hydrogen 3.261 N/A SER 280.A N SER 273.A O no hydrogen 2.865 N/A THR 281.A N ARG 286.A O no hydrogen 2.816 N/A ALA 282.A N GLY 271.A O no hydrogen 2.956 N/A ARG 286.A N THR 281.A OG1 no hydrogen 2.477 N/A LEU 288.A N LEU 279.A O no hydrogen 2.829 N/A THR 292.A N ASP 295.A OD1 no hydrogen 2.817 N/A THR 292.A OG1 ASP 295.A OD1 no hydrogen 2.952 N/A ASP 295.A N THR 292.A O no hydrogen 3.056 N/A ASP 295.A N THR 292.A OG1 no hydrogen 3.320 N/A PHE 297.A N GLU 293.A O no hydrogen 3.208 N/A ARG 298.A N LYS 294.A O no hydrogen 2.782 N/A ARG 298.A NH2 ASP 295.A OD2 no hydrogen 3.150 N/A LEU 299.A N ASP 295.A O no hydrogen 3.021 N/A LEU 300.A N VAL 296.A O no hydrogen 3.230 N/A LEU 300.A N PHE 297.A O no hydrogen 3.072 N/A GLY 301.A N ARG 298.A O no hydrogen 2.846 N/A LEU 302.A N PHE 297.A O no hydrogen 2.852 N/A GLU 309.A N GLU 306.A O no hydrogen 2.760 N/A ARG 310.A N PRO 307.A O no hydrogen 2.804 N/A ARG 310.A NE ARG 305.A O no hydrogen 3.047 N/A ARG 310.A NH1 GLU 293.A OE1 no hydrogen 2.814 N/A ARG 310.A NH2 GLU 293.A OE2 no hydrogen 2.837 N/A ARG 310.A NH2 ARG 305.A O no hydrogen 3.060 N/A TRP 312.A N ARG 310.A O no hydrogen 2.826 N/A