Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i58_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 9.A N GLY 5.A O no hydrogen 2.665 N/A ALA 10.A N LEU 6.A O no hydrogen 3.171 N/A ALA 10.A N ARG 7.A O no hydrogen 3.079 N/A ASP 11.A N ALA 8.A O no hydrogen 3.191 N/A ALA 13.A N ASP 11.A OD1 no hydrogen 3.148 N/A THR 14.A N ASP 11.A OD2 no hydrogen 2.833 N/A THR 14.A OG1 ASP 11.A OD2 no hydrogen 3.142 N/A THR 14.A OG1 HIS 57.A NE2 no hydrogen 2.883 N/A MET 16.A N LEU 12.A O no hydrogen 3.088 N/A ALA 17.A N ALA 13.A O no hydrogen 2.899 N/A VAL 18.A N THR 14.A O no hydrogen 2.880 N/A ARG 19.A N PRO 15.A O no hydrogen 3.084 N/A ARG 19.A NH2 ASP 103.A OD2 no hydrogen 3.076 N/A VAL 20.A N MET 16.A O no hydrogen 2.864 N/A ALA 21.A N ALA 17.A O no hydrogen 3.057 N/A ALA 22.A N VAL 18.A O no hydrogen 2.834 N/A THR 23.A N ARG 19.A O no hydrogen 2.846 N/A THR 23.A OG1 ARG 19.A O no hydrogen 2.805 N/A LEU 24.A N VAL 20.A O no hydrogen 2.775 N/A ARG 25.A N ALA 22.A O no hydrogen 3.368 N/A VAL 26.A N ALA 21.A O no hydrogen 3.160 N/A HIS 29.A N ARG 25.A O no hydrogen 3.177 N/A ILE 30.A N VAL 26.A O no hydrogen 3.015 N/A ALA 31.A N ALA 27.A O no hydrogen 3.015 N/A GLY 33.A N ILE 30.A O no hydrogen 3.051 N/A HIS 34.A N HIS 29.A O no hydrogen 2.990 N/A HIS 34.A ND1 HIS 29.A O no hydrogen 3.159 N/A ARG 35.A N GLU 39.A OE1 no hydrogen 3.065 N/A THR 36.A N GLU 39.A OE1 no hydrogen 3.472 N/A ILE 40.A N THR 36.A O no hydrogen 2.896 N/A ALA 41.A N ALA 37.A O no hydrogen 2.853 N/A SER 42.A N ALA 38.A O no hydrogen 3.162 N/A SER 42.A OG ALA 38.A O no hydrogen 2.908 N/A SER 42.A OG GLU 39.A O no hydrogen 2.739 N/A ALA 43.A N GLU 39.A O no hydrogen 2.867 N/A ALA 44.A N ALA 41.A O no hydrogen 3.099 N/A GLY 45.A N ALA 41.A O no hydrogen 2.563 N/A ALA 46.A N ALA 41.A O no hydrogen 2.873 N/A SER 50.A N HIS 47.A ND1 no hydrogen 3.200 N/A SER 50.A OG HIS 47.A ND1 no hydrogen 2.945 N/A LEU 51.A N HIS 47.A O no hydrogen 2.836 N/A ASP 52.A N ALA 48.A O no hydrogen 2.896 N/A ARG 53.A N ASP 49.A O no hydrogen 3.078 N/A LEU 54.A N SER 50.A O no hydrogen 2.993 N/A LEU 55.A N LEU 51.A O no hydrogen 2.827 N/A ARG 56.A N ASP 52.A O no hydrogen 2.895 N/A ARG 56.A NE ASP 52.A OD2 no hydrogen 3.002 N/A HIS 57.A N ARG 53.A O no hydrogen 3.263 N/A HIS 57.A NE2 THR 14.A OG1 no hydrogen 2.883 N/A LEU 58.A N LEU 54.A O no hydrogen 2.934 N/A VAL 59.A N LEU 55.A O no hydrogen 2.722 N/A ALA 60.A N ARG 56.A O no hydrogen 3.214 N/A VAL 61.A N HIS 57.A O no hydrogen 3.070 N/A GLY 62.A N LEU 58.A O no hydrogen 3.145 N/A GLY 62.A N VAL 59.A O no hydrogen 3.028 N/A LEU 63.A N LEU 58.A O no hydrogen 3.023 N/A THR 65.A N GLY 73.A O no hydrogen 2.606 N/A ARG 66.A NH1 ASP 52.A OD1 no hydrogen 3.541 N/A ASP 67.A N VAL 71.A O no hydrogen 2.966 N/A GLN 69.A N ASP 67.A OD1 no hydrogen 2.896 N/A GLY 70.A N ASP 67.A O no hydrogen 2.707 N/A VAL 71.A N ASP 67.A OD1 no hydrogen 2.722 N/A TYR 72.A N ARG 35.A O no hydrogen 2.694 N/A TYR 72.A OH ASP 52.A OD1 no hydrogen 2.552 N/A GLY 73.A N THR 65.A O no hydrogen 2.685 N/A THR 75.A N LEU 63.A O no hydrogen 3.092 N/A THR 75.A OG1 PHE 64.A O no hydrogen 3.401 N/A GLN 80.A N PHE 77.A O no hydrogen 3.221 N/A LEU 81.A N GLY 78.A O no hydrogen 3.036 N/A ARG 82.A N GLU 79.A O no hydrogen 2.927 N/A ARG 82.A NE GLU 79.A OE1 no hydrogen 2.870 N/A ARG 82.A NH2 GLU 79.A OE1 no hydrogen 2.788 N/A ASP 83.A N ASP 28.A OD1 no hydrogen 2.714 N/A HIS 85.A N ARG 82.A O no hydrogen 3.206 N/A GLY 88.A N HIS 85.A O no hydrogen 3.290 N/A ARG 90.A NE ASP 83.A OD2 no hydrogen 3.243 N/A ARG 90.A NH1 ALA 22.A O no hydrogen 3.194 N/A ARG 90.A NH1 ASP 94.A OD2 no hydrogen 2.664 N/A ARG 90.A NH2 ASP 83.A OD2 no hydrogen 3.148 N/A LYS 91.A NZ GLY 88.A O no hydrogen 2.855 N/A LYS 91.A NZ HIS 148.A ND1 no hydrogen 2.694 N/A TRP 92.A N LYS 89.A O no hydrogen 2.768 N/A LEU 93.A N ARG 90.A O no hydrogen 2.939 N/A ASP 94.A N ARG 90.A O no hydrogen 3.095 N/A MET 95.A N THR 23.A OG1 no hydrogen 2.824 N/A ASN 96.A N ASP 94.A OD1 no hydrogen 2.839 N/A SER 97.A N ASP 94.A O no hydrogen 3.008 N/A SER 97.A OG LYS 91.A O no hydrogen 2.897 N/A SER 97.A OG ASP 94.A O no hydrogen 3.094 N/A ALA 98.A N SER 141.A OG no hydrogen 3.027 N/A GLY 100.A N SER 97.A OG no hydrogen 3.157 N/A ARG 101.A N SER 97.A O no hydrogen 2.907 N/A ARG 101.A NH1 ASP 131.A OD2 no hydrogen 2.694 N/A ARG 101.A NH2 ASP 131.A OD2 no hydrogen 3.193 N/A GLY 102.A N ALA 98.A O no hydrogen 2.801 N/A ASP 103.A N VAL 99.A O no hydrogen 2.997 N/A LEU 104.A N ARG 101.A O no hydrogen 3.343 N/A GLY 105.A N GLY 102.A O no hydrogen 2.627 N/A PHE 106.A N ASP 103.A O no hydrogen 2.983 N/A VAL 107.A N LEU 104.A O no hydrogen 3.196 N/A GLU 108.A N GLY 105.A O no hydrogen 2.878 N/A LEU 109.A N PHE 106.A O no hydrogen 2.813 N/A HIS 111.A N GLU 108.A O no hydrogen 2.990 N/A SER 112.A OG GLN 117.A O no hydrogen 2.715 N/A ILE 113.A N LEU 109.A O no hydrogen 2.906 N/A ARG 114.A N ALA 110.A O no hydrogen 2.912 N/A THR 115.A N HIS 111.A O no hydrogen 2.904 N/A THR 115.A OG1 HIS 111.A O no hydrogen 2.986 N/A GLY 116.A N SER 112.A O no hydrogen 2.625 N/A GLN 117.A N THR 115.A OG1 no hydrogen 2.831 N/A ALA 119.A N THR 288.A O no hydrogen 2.784 N/A TYR 120.A N THR 288.A O no hydrogen 2.805 N/A TYR 120.A OH ASP 131.A OD2 no hydrogen 2.622 N/A ARG 123.A N ALA 119.A O no hydrogen 3.343 N/A ARG 123.A NH1 TYR 124.A OH no hydrogen 3.100 N/A TYR 124.A N TYR 120.A O no hydrogen 2.919 N/A TYR 124.A OH ARG 101.A O no hydrogen 2.467 N/A GLY 125.A N PRO 121.A O no hydrogen 2.554 N/A THR 126.A OG1 GLU 130.A OE1 no hydrogen 2.926 N/A GLU 130.A N SER 127.A OG no hydrogen 3.112 N/A ASP 131.A N SER 127.A O no hydrogen 3.073 N/A LEU 132.A N PHE 128.A O no hydrogen 2.977 N/A GLY 133.A N TRP 129.A O no hydrogen 2.872 N/A SER 134.A N GLU 130.A O no hydrogen 3.079 N/A SER 134.A N ASP 131.A O no hydrogen 3.189 N/A SER 134.A OG ASP 131.A O no hydrogen 3.284 N/A ASP 135.A N LEU 132.A O no hydrogen 3.345 N/A LEU 138.A N ASP 135.A OD1 no hydrogen 2.941 N/A SER 139.A N ASP 135.A O no hydrogen 2.971 N/A ALA 140.A N PRO 136.A O no hydrogen 2.991 N/A SER 141.A N VAL 137.A O no hydrogen 3.152 N/A SER 141.A OG LEU 138.A O no hydrogen 2.632 N/A PHE 142.A N LEU 138.A O no hydrogen 3.153 N/A ASP 143.A N SER 139.A O no hydrogen 3.024 N/A THR 144.A N ALA 140.A O no hydrogen 2.941 N/A THR 144.A OG1 ALA 140.A O no hydrogen 2.903 N/A LEU 145.A N SER 141.A O no hydrogen 2.950 N/A MET 146.A N PHE 142.A O no hydrogen 2.965 N/A SER 147.A N ASP 143.A O no hydrogen 3.021 N/A HIS 148.A N THR 144.A O no hydrogen 3.008 N/A HIS 149.A N LEU 145.A O no hydrogen 2.890 N/A HIS 149.A ND1 ASP 153.A OD2 no hydrogen 2.852 N/A LEU 150.A N MET 146.A O no hydrogen 3.243 N/A LEU 150.A N SER 147.A O no hydrogen 3.254 N/A LEU 152.A N HIS 148.A O no hydrogen 3.057 N/A ASP 153.A N HIS 149.A O no hydrogen 2.786 N/A TYR 154.A N LEU 150.A O no hydrogen 2.789 N/A TYR 154.A OH SER 238.A OG no hydrogen 2.958 N/A ILE 157.A N TYR 154.A O no hydrogen 2.802 N/A ALA 159.A N GLY 156.A O no hydrogen 3.204 N/A LYS 160.A N GLY 156.A O no hydrogen 3.323 N/A TYR 161.A OH GLU 324.A OE2 no hydrogen 2.458 N/A TRP 163.A NE1 ILE 157.A O no hydrogen 3.164 N/A LEU 166.A N TRP 163.A O no hydrogen 2.543 N/A GLY 167.A N ALA 164.A O no hydrogen 3.228 N/A HIS 168.A N LEU 166.A O no hydrogen 2.747 N/A HIS 168.A ND1 SER 191.A OG no hydrogen 2.578 N/A VAL 169.A N SER 191.A O no hydrogen 2.884 N/A VAL 170.A N GLY 234.A O no hydrogen 2.699 N/A ASP 171.A N THR 193.A O no hydrogen 2.890 N/A VAL 172.A N VAL 236.A O no hydrogen 2.861 N/A GLY 173.A N LEU 195.A O no hydrogen 2.644 N/A GLY 174.A N ASP 171.A O no hydrogen 3.083 N/A GLY 175.A N ASP 196.A OD2 no hydrogen 2.735 N/A GLY 177.A N GLY 174.A O no hydrogen 2.952 N/A SER 181.A N GLY 177.A O no hydrogen 2.850 N/A ALA 182.A N GLY 178.A O no hydrogen 3.063 N/A ALA 182.A N LEU 179.A O no hydrogen 2.874 N/A LEU 183.A N LEU 179.A O no hydrogen 2.796 N/A LEU 184.A N LEU 180.A O no hydrogen 2.837 N/A THR 185.A N SER 181.A O no hydrogen 3.243 N/A THR 185.A OG1 SER 181.A O no hydrogen 2.795 N/A ALA 186.A N ALA 182.A O no hydrogen 3.278 N/A ALA 186.A N LEU 183.A O no hydrogen 3.163 N/A HIS 187.A N LEU 184.A O no hydrogen 3.105 N/A HIS 187.A NE2 ALA 158.A O no hydrogen 3.395 N/A LEU 190.A N HIS 187.A O no hydrogen 2.667 N/A SER 191.A N GLY 167.A O no hydrogen 2.915 N/A SER 191.A OG GLY 167.A O no hydrogen 3.385 N/A SER 191.A OG HIS 168.A ND1 no hydrogen 2.578 N/A GLY 192.A N ARG 216.A O no hydrogen 3.061 N/A THR 193.A N VAL 169.A O no hydrogen 2.953 N/A VAL 194.A N GLN 218.A O no hydrogen 2.765 N/A LEU 195.A N ASP 171.A O no hydrogen 3.082 N/A ASP 196.A N VAL 220.A O no hydrogen 3.353 N/A LEU 197.A N ASP 196.A OD1 no hydrogen 2.816 N/A ALA 201.A N LEU 197.A O no hydrogen 3.114 N/A SER 202.A N GLN 198.A O no hydrogen 3.067 N/A SER 202.A OG GLY 199.A O no hydrogen 3.109 N/A ALA 203.A N GLY 199.A O no hydrogen 3.143 N/A ALA 204.A N PRO 200.A O no hydrogen 2.735 N/A HIS 205.A N ALA 201.A O no hydrogen 2.946 N/A ARG 206.A N SER 202.A O no hydrogen 3.020 N/A ARG 207.A N ALA 203.A O no hydrogen 3.104 N/A PHE 208.A N ALA 204.A O no hydrogen 2.952 N/A LEU 209.A N HIS 205.A O no hydrogen 2.975 N/A ASP 210.A N ARG 206.A O no hydrogen 3.279 N/A THR 211.A N ARG 207.A O no hydrogen 2.679 N/A GLY 212.A N PHE 208.A O no hydrogen 2.912 N/A GLY 212.A N LEU 209.A O no hydrogen 3.162 N/A LEU 213.A N PHE 208.A O no hydrogen 2.894 N/A ARG 216.A N LEU 213.A O no hydrogen 2.752 N/A ARG 216.A NE LEU 190.A O no hydrogen 2.972 N/A ARG 216.A NH2 LEU 184.A O no hydrogen 2.440 N/A ARG 216.A NH2 LEU 190.A O no hydrogen 3.452 N/A ALA 217.A N LEU 213.A O no hydrogen 2.718 N/A GLN 218.A N GLY 192.A O no hydrogen 3.073 N/A VAL 220.A N VAL 194.A O no hydrogen 2.829 N/A GLY 222.A N ASP 196.A O no hydrogen 3.031 N/A PHE 225.A N SER 223.A OG no hydrogen 3.017 N/A ASP 226.A N SER 223.A O no hydrogen 3.185 N/A GLY 231.A N ALA 259.A O no hydrogen 2.885 N/A ALA 232.A N TYR 235.A OH no hydrogen 2.964 N/A GLY 233.A N HIS 168.A O no hydrogen 2.917 N/A GLY 234.A N HIS 168.A O no hydrogen 3.311 N/A TYR 235.A N VAL 265.A O no hydrogen 2.782 N/A TYR 235.A OH PRO 229.A O no hydrogen 2.630 N/A TYR 235.A OH ALA 259.A O no hydrogen 3.139 N/A VAL 236.A N VAL 170.A O no hydrogen 2.790 N/A LEU 237.A N LEU 267.A O no hydrogen 2.876 N/A SER 238.A OG TYR 154.A OH no hydrogen 2.958 N/A ALA 239.A N ILE 269.A O no hydrogen 2.907 N/A HIS 242.A N GLU 270.A OE2 no hydrogen 3.173 N/A ASP 243.A N VAL 240.A O no hydrogen 2.788 N/A TRP 244.A N LEU 241.A O no hydrogen 3.006 N/A SER 248.A N ASP 245.A OD1 no hydrogen 3.042 N/A SER 248.A OG ASP 245.A OD1 no hydrogen 3.041 N/A ALA 249.A N ASP 245.A O no hydrogen 2.934 N/A VAL 250.A N ASP 246.A O no hydrogen 3.230 N/A ALA 251.A N LEU 247.A O no hydrogen 3.101 N/A ILE 252.A N SER 248.A O no hydrogen 2.843 N/A LEU 253.A N ALA 249.A O no hydrogen 2.842 N/A ARG 254.A N VAL 250.A O no hydrogen 2.582 N/A ARG 254.A NH2 GLN 306.A O no hydrogen 2.975 N/A ARG 255.A N ALA 251.A O no hydrogen 3.108 N/A ARG 255.A NE PHE 225.A O no hydrogen 2.686 N/A ARG 255.A NH1 GLU 258.A OE1 no hydrogen 3.005 N/A ARG 255.A NH2 PHE 225.A O no hydrogen 3.270 N/A CYS 256.A N ILE 252.A O no hydrogen 3.208 N/A CYS 256.A SG ILE 252.A O no hydrogen 3.555 N/A ALA 257.A N LEU 253.A O no hydrogen 2.870 N/A GLU 258.A N ARG 254.A O no hydrogen 2.916 N/A ALA 259.A N ARG 255.A O no hydrogen 2.953 N/A ALA 260.A N CYS 256.A O no hydrogen 2.792 N/A GLY 261.A N ALA 257.A O no hydrogen 2.919 N/A GLY 264.A N GLY 261.A O no hydrogen 3.459 N/A VAL 265.A N GLY 233.A O no hydrogen 3.182 N/A VAL 266.A N MET 325.A O no hydrogen 2.788 N/A LEU 267.A N TYR 235.A O no hydrogen 2.758 N/A VAL 268.A N VAL 323.A O no hydrogen 2.904 N/A ILE 269.A N LEU 237.A O no hydrogen 2.839 N/A GLU 270.A N SER 321.A O no hydrogen 3.152 N/A VAL 272.A N ASP 275.A OD2 no hydrogen 2.538 N/A ALA 273.A N ARG 295.A O no hydrogen 3.078 N/A ASP 275.A N VAL 272.A O no hydrogen 2.862 N/A ASP 283.A N GLY 279.A O no hydrogen 3.056 N/A LEU 284.A N THR 280.A O no hydrogen 3.063 N/A ARG 285.A N GLY 281.A O no hydrogen 3.162 N/A ARG 285.A NH1 ASP 103.A OD1 no hydrogen 2.992 N/A MET 286.A N MET 282.A O no hydrogen 3.051 N/A LEU 287.A N ASP 283.A O no hydrogen 3.230 N/A THR 288.A N LEU 284.A O no hydrogen 2.878 N/A THR 288.A OG1 LEU 284.A O no hydrogen 3.561 N/A THR 288.A OG1 ARG 285.A O no hydrogen 3.372 N/A TYR 289.A N ARG 285.A O no hydrogen 2.781 N/A TYR 289.A OH ASP 103.A OD1 no hydrogen 2.720 N/A PHE 290.A N MET 286.A O no hydrogen 3.035 N/A GLY 291.A N LEU 287.A O no hydrogen 2.981 N/A GLY 292.A N MET 286.A O no hydrogen 2.790 N/A LYS 293.A NZ GLU 299.A OE2 no hydrogen 3.159 N/A GLU 294.A N ASP 283.A OD1 no hydrogen 2.812 N/A ARG 295.A NH1 LEU 241.A O no hydrogen 3.176 N/A ARG 295.A NH1 TRP 244.A O no hydrogen 3.515 N/A ARG 295.A NH2 TRP 244.A O no hydrogen 2.961 N/A ARG 295.A NH2 ASP 246.A OD1 no hydrogen 3.174 N/A SER 296.A N GLU 299.A OE1 no hydrogen 2.859 N/A GLU 299.A N SER 296.A OG no hydrogen 2.885 N/A LEU 300.A N SER 296.A O no hydrogen 3.072 N/A GLY 301.A N LEU 297.A O no hydrogen 3.295 N/A GLU 302.A N ALA 298.A O no hydrogen 3.162 N/A LEU 303.A N GLU 299.A O no hydrogen 3.266 N/A ALA 304.A N LEU 300.A O no hydrogen 2.767 N/A ALA 305.A N GLY 301.A O no hydrogen 2.839 N/A GLN 306.A N GLU 302.A O no hydrogen 3.161 N/A ALA 307.A N ALA 304.A O no hydrogen 2.702 N/A GLY 308.A N ALA 305.A O no hydrogen 2.919 N/A LEU 309.A N ALA 304.A O no hydrogen 2.913 N/A ALA 310.A N THR 326.A O no hydrogen 3.033 N/A ARG 312.A N GLU 324.A O no hydrogen 2.752 N/A ALA 313.A N GLU 324.A O no hydrogen 3.471 N/A HIS 315.A N ILE 322.A O no hydrogen 3.080 N/A ILE 317.A N VAL 320.A O no hydrogen 2.819 N/A VAL 320.A N ILE 317.A O no hydrogen 3.115 N/A SER 321.A N GLU 270.A O no hydrogen 3.206 N/A SER 321.A OG ASP 275.A OD1 no hydrogen 3.157 N/A SER 321.A OG ASP 275.A OD2 no hydrogen 3.280 N/A ILE 322.A N HIS 315.A O no hydrogen 2.846 N/A VAL 323.A N VAL 268.A O no hydrogen 2.872 N/A GLU 324.A N ALA 313.A O no hydrogen 3.212 N/A MET 325.A N VAL 266.A O no hydrogen 2.730 N/A THR 326.A N ALA 310.A O no hydrogen 3.224 N/A THR 326.A OG1 ALA 327.A O no hydrogen 3.544 N/A LEU 328.A N GLY 308.A O no hydrogen 2.784 N/A