Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3md0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N THR 1.A O no hydrogen 2.709 N/A ALA 6.A N VAL 2.A O no hydrogen 3.005 N/A THR 7.A N ASP 3.A O no hydrogen 3.330 N/A THR 7.A OG1 GLY 4.A O no hydrogen 3.523 N/A ALA 8.A N GLY 4.A O no hydrogen 3.244 N/A VAL 9.A N LEU 5.A O no hydrogen 3.305 N/A ARG 10.A N ALA 6.A O no hydrogen 3.190 N/A GLY 11.A N THR 7.A O no hydrogen 2.865 N/A GLY 12.A N VAL 9.A O no hydrogen 3.256 N/A ASP 13.A N ALA 8.A O no hydrogen 2.777 N/A ALA 15.A N ASP 13.A OD2 no hydrogen 3.151 N/A ALA 20.A N ALA 16.A O no hydrogen 2.989 N/A ILE 21.A N LEU 17.A O no hydrogen 2.787 N/A THR 22.A N PRO 18.A O no hydrogen 2.843 N/A THR 22.A OG1 PRO 18.A O no hydrogen 3.152 N/A LEU 23.A N ARG 19.A O no hydrogen 2.913 N/A VAL 24.A N ALA 20.A O no hydrogen 2.942 N/A GLU 25.A N ILE 21.A O no hydrogen 2.895 N/A SER 26.A OG HIS 31.A ND1 no hydrogen 2.711 N/A HIS 31.A N ARG 28.A O no hydrogen 2.889 N/A HIS 31.A ND1 SER 26.A OG no hydrogen 2.711 N/A ARG 32.A N ARG 28.A O no hydrogen 3.304 N/A ARG 32.A NE SER 26.A O no hydrogen 2.900 N/A ARG 32.A NH1 GLU 112.A OE1 no hydrogen 2.920 N/A ARG 32.A NH1 GLU 112.A OE2 no hydrogen 3.351 N/A ARG 32.A NH2 GLU 112.A OE1 no hydrogen 2.997 N/A GLN 34.A NE2 ASP 30.A O no hydrogen 2.810 N/A ALA 35.A N HIS 31.A O no hydrogen 2.811 N/A GLN 36.A N ARG 32.A O no hydrogen 2.776 N/A GLN 36.A NE2 GLU 112.A OE2 no hydrogen 2.810 N/A GLN 37.A N GLU 33.A O no hydrogen 3.337 N/A LEU 38.A N GLN 34.A O no hydrogen 2.952 N/A LEU 39.A N ALA 35.A O no hydrogen 3.020 N/A LEU 40.A N GLN 36.A O no hydrogen 2.976 N/A ARG 41.A N GLN 37.A O no hydrogen 3.095 N/A LEU 42.A N LEU 38.A O no hydrogen 2.805 N/A LEU 43.A N LEU 39.A O no hydrogen 2.658 N/A ASP 45.A N LEU 42.A O no hydrogen 2.864 N/A SER 46.A N LEU 43.A O no hydrogen 3.065 N/A SER 46.A OG LEU 43.A O no hydrogen 2.746 N/A GLY 47.A N GLU 118.A OE1 no hydrogen 2.712 N/A HIS 50.A N ASP 123.A O no hydrogen 2.911 N/A HIS 50.A NE2 THR 142.A OG1 no hydrogen 2.848 N/A ARG 51.A N ASP 141.A OD2 no hydrogen 2.775 N/A ARG 51.A NE GLU 118.A OE2 no hydrogen 2.676 N/A ARG 51.A NH1 GLU 118.A OE1 no hydrogen 2.973 N/A ARG 51.A NH1 GLU 118.A OE2 no hydrogen 3.370 N/A VAL 52.A N ILE 125.A O no hydrogen 2.798 N/A GLY 53.A N THR 142.A O no hydrogen 2.878 N/A ILE 54.A N ILE 127.A O no hydrogen 2.980 N/A THR 55.A N VAL 144.A O no hydrogen 2.924 N/A THR 55.A OG1 THR 129.A OG1 no hydrogen 2.357 N/A VAL 60.A N VAL 57.A O no hydrogen 2.873 N/A LYS 62.A NZ GLY 56.A O no hydrogen 3.021 N/A LYS 62.A NZ VAL 57.A O no hydrogen 3.223 N/A ALA 65.A N GLY 61.A O no hydrogen 2.900 N/A ILE 66.A N LYS 62.A O no hydrogen 2.917 N/A GLU 67.A N SER 63.A O no hydrogen 3.149 N/A ALA 68.A N THR 64.A O no hydrogen 3.269 N/A LEU 69.A N ALA 65.A O no hydrogen 2.724 N/A GLY 70.A N ILE 66.A O no hydrogen 2.657 N/A MET 71.A N GLU 67.A O no hydrogen 2.967 N/A HIS 72.A N ALA 68.A O no hydrogen 2.921 N/A LEU 73.A N LEU 69.A O no hydrogen 2.882 N/A ILE 74.A N GLY 70.A O no hydrogen 3.059 N/A GLU 75.A N MET 71.A O no hydrogen 3.057 N/A ARG 76.A N LEU 73.A O no hydrogen 2.973 N/A ARG 76.A NH1 HIS 72.A O no hydrogen 2.951 N/A GLY 77.A N ILE 74.A O no hydrogen 3.086 N/A HIS 78.A N LEU 73.A O no hydrogen 3.148 N/A HIS 78.A ND1 ASP 123.A OD1 no hydrogen 2.776 N/A ARG 79.A N ASP 123.A OD2 no hydrogen 2.748 N/A ARG 79.A NH1 ALA 120.A O no hydrogen 3.019 N/A VAL 80.A N ASN 95.A O no hydrogen 2.847 N/A ALA 81.A N VAL 124.A O no hydrogen 2.916 N/A VAL 82.A N TYR 97.A O no hydrogen 2.785 N/A LEU 83.A N LEU 126.A O no hydrogen 2.705 N/A VAL 85.A N GLU 128.A O no hydrogen 2.663 N/A ALA 91.A N MET 87.A O no hydrogen 3.494 N/A HIS 93.A N LEU 90.A O no hydrogen 2.958 N/A ASN 95.A N HIS 93.A ND1 no hydrogen 3.171 N/A ALA 96.A N HIS 93.A O no hydrogen 3.201 N/A TYR 97.A N VAL 80.A O no hydrogen 2.836 N/A ARG 99.A N VAL 82.A O no hydrogen 3.166 N/A SER 101.A OG VAL 85.A O no hydrogen 3.447 N/A GLY 105.A N THR 102.A OG1 no hydrogen 3.041 N/A VAL 106.A N THR 102.A O no hydrogen 2.971 N/A THR 107.A N LEU 103.A O no hydrogen 2.938 N/A THR 107.A OG1 LEU 103.A O no hydrogen 2.690 N/A ARG 108.A N GLY 104.A O no hydrogen 2.949 N/A ARG 108.A NE GLU 112.A OE2 no hydrogen 3.278 N/A ALA 109.A N GLY 105.A O no hydrogen 2.954 N/A THR 110.A N VAL 106.A O no hydrogen 2.915 N/A THR 110.A OG1 VAL 106.A O no hydrogen 2.509 N/A ARG 111.A N THR 107.A O no hydrogen 2.783 N/A ARG 111.A NH1 ASN 138.A O no hydrogen 2.637 N/A GLU 112.A N ARG 108.A O no hydrogen 2.965 N/A THR 113.A N ALA 109.A O no hydrogen 2.842 N/A THR 113.A OG1 ALA 109.A O no hydrogen 2.543 N/A VAL 114.A N THR 110.A O no hydrogen 2.950 N/A LEU 116.A N GLU 112.A O no hydrogen 3.358 N/A LEU 117.A N THR 113.A O no hydrogen 2.964 N/A GLU 118.A N VAL 114.A O no hydrogen 2.905 N/A ALA 119.A N VAL 115.A O no hydrogen 2.956 N/A ALA 120.A N LEU 116.A O no hydrogen 2.789 N/A GLY 121.A N GLU 118.A O no hydrogen 3.235 N/A PHE 122.A N LEU 117.A O no hydrogen 3.102 N/A ASP 123.A N ARG 79.A O no hydrogen 3.021 N/A VAL 124.A N ARG 79.A O no hydrogen 3.268 N/A ILE 125.A N HIS 50.A O no hydrogen 2.967 N/A LEU 126.A N ALA 81.A O no hydrogen 2.690 N/A ILE 127.A N VAL 52.A O no hydrogen 2.831 N/A GLU 128.A N LEU 83.A O no hydrogen 2.705 N/A THR 129.A N ILE 54.A O no hydrogen 3.073 N/A THR 129.A OG1 THR 55.A OG1 no hydrogen 2.357 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 3.018 N/A ALA 135.A N GLN 131.A O no hydrogen 3.481 N/A VAL 136.A N SER 132.A O no hydrogen 3.173 N/A ALA 137.A N GLU 133.A O no hydrogen 2.859 N/A ASN 138.A N VAL 134.A O no hydrogen 2.877 N/A MET 139.A N VAL 136.A O no hydrogen 2.904 N/A ASP 141.A N ARG 51.A O no hydrogen 2.697 N/A THR 142.A N ARG 51.A O no hydrogen 3.193 N/A THR 142.A OG1 HIS 50.A NE2 no hydrogen 2.848 N/A THR 142.A OG1 HIS 228.A ND1 no hydrogen 2.568 N/A PHE 143.A N ASP 167.A OD2 no hydrogen 2.645 N/A VAL 144.A N GLY 53.A O no hydrogen 2.758 N/A LEU 145.A N ILE 168.A O no hydrogen 2.905 N/A LEU 146.A N THR 55.A O no hydrogen 2.930 N/A THR 147.A N VAL 170.A O no hydrogen 2.736 N/A THR 147.A OG1 VAL 170.A O no hydrogen 3.391 N/A LEU 148.A N GLN 154.A O no hydrogen 3.212 N/A ALA 149.A N ASN 172.A O no hydrogen 3.106 N/A ARG 150.A NE GLU 181.A OE1 no hydrogen 3.112 N/A ARG 150.A NE GLU 181.A OE2 no hydrogen 2.579 N/A THR 151.A N GLU 181.A OE2 no hydrogen 2.789 N/A THR 151.A OG1 GLU 188.A OE1 no hydrogen 3.502 N/A GLY 152.A N GLU 188.A OE2 no hydrogen 2.866 N/A ASP 153.A N ARG 150.A O no hydrogen 2.826 N/A GLN 154.A N GLN 154.A OE1 no hydrogen 2.577 N/A GLN 154.A NE2 ALA 185.A O no hydrogen 2.665 N/A GLN 154.A NE2 GLU 188.A OE2 no hydrogen 3.102 N/A GLN 156.A N ASP 153.A O no hydrogen 3.201 N/A ILE 158.A N LEU 155.A O no hydrogen 2.885 N/A VAL 162.A N LYS 159.A O no hydrogen 3.260 N/A GLU 164.A N GLY 161.A O no hydrogen 3.048 N/A LEU 165.A N VAL 162.A O no hydrogen 2.834 N/A ALA 166.A N LEU 163.A O no hydrogen 3.368 N/A ASP 167.A N PHE 143.A O no hydrogen 2.763 N/A ILE 168.A N PHE 143.A O no hydrogen 3.312 N/A VAL 169.A N PRO 206.A O no hydrogen 3.062 N/A VAL 170.A N LEU 145.A O no hydrogen 2.657 N/A VAL 171.A N LEU 208.A O no hydrogen 2.780 N/A ASN 172.A N THR 147.A O no hydrogen 2.812 N/A ASN 172.A ND2 VAL 60.A O no hydrogen 2.762 N/A ALA 174.A N MET 210.A O no hydrogen 2.789 N/A HIS 178.A N ASP 175.A O no hydrogen 3.028 N/A ALA 182.A N HIS 178.A O no hydrogen 3.070 N/A ARG 183.A N LYS 180.A O no hydrogen 3.085 N/A LEU 184.A N LYS 180.A O no hydrogen 3.307 N/A ALA 185.A N GLU 181.A O no hydrogen 2.776 N/A ALA 186.A N ALA 182.A O no hydrogen 3.033 N/A ARG 187.A N ARG 183.A O no hydrogen 3.082 N/A GLU 188.A N LEU 184.A O no hydrogen 2.851 N/A LEU 189.A N ALA 185.A O no hydrogen 3.077 N/A SER 190.A N ALA 186.A O no hydrogen 2.826 N/A SER 190.A OG ALA 186.A O no hydrogen 3.469 N/A ALA 191.A N ARG 187.A O no hydrogen 3.040 N/A ALA 192.A N GLU 188.A O no hydrogen 3.199 N/A ILE 193.A N LEU 189.A O no hydrogen 2.909 N/A ARG 194.A N SER 190.A O no hydrogen 2.920 N/A LEU 195.A N ALA 191.A O no hydrogen 3.127 N/A ILE 196.A N ALA 192.A O no hydrogen 2.968 N/A TYR 197.A N ILE 193.A O no hydrogen 2.761 N/A GLU 200.A N TYR 197.A O no hydrogen 3.434 N/A TRP 203.A N GLU 200.A OE2 no hydrogen 2.642 N/A TRP 203.A NE1 ASP 167.A O no hydrogen 2.755 N/A ARG 204.A NE TYR 197.A O no hydrogen 3.508 N/A LEU 208.A N VAL 169.A O no hydrogen 2.749 N/A MET 210.A N VAL 171.A O no hydrogen 2.906 N/A SER 211.A N ARG 216.A O no hydrogen 2.795 N/A SER 211.A OG ASP 175.A OD2 no hydrogen 2.436 N/A ALA 212.A N ASN 172.A OD1 no hydrogen 3.153 N/A ARG 216.A N SER 211.A O no hydrogen 2.806 N/A GLU 220.A N GLU 220.A OE1 no hydrogen 2.610 N/A LEU 221.A N GLY 217.A O no hydrogen 2.929 N/A TRP 222.A N LEU 218.A O no hydrogen 2.904 N/A ASP 223.A N ALA 219.A O no hydrogen 2.866 N/A THR 224.A N GLU 220.A O no hydrogen 2.963 N/A THR 224.A OG1 GLU 220.A O no hydrogen 2.735 N/A VAL 225.A N LEU 221.A O no hydrogen 2.932 N/A GLU 226.A N TRP 222.A O no hydrogen 2.817 N/A ARG 227.A N ASP 223.A O no hydrogen 2.946 N/A HIS 228.A N THR 224.A O no hydrogen 2.856 N/A HIS 228.A ND1 THR 142.A OG1 no hydrogen 2.568 N/A ARG 229.A N VAL 225.A O no hydrogen 3.272 N/A GLN 230.A N GLU 226.A O no hydrogen 2.947 N/A VAL 231.A N ARG 227.A O no hydrogen 2.869 N/A LEU 232.A N HIS 228.A O no hydrogen 2.979 N/A THR 233.A N ARG 229.A O no hydrogen 2.935 N/A THR 233.A OG1 ARG 229.A O no hydrogen 2.650 N/A GLY 234.A N GLN 230.A O no hydrogen 2.874 N/A ALA 235.A N LEU 232.A O no hydrogen 3.143 N/A GLY 236.A N THR 233.A O no hydrogen 2.944 N/A GLU 237.A N LEU 232.A O no hydrogen 2.839 N/A ARG 241.A N GLU 237.A O no hydrogen 2.898 N/A ARG 242.A N PHE 238.A O no hydrogen 3.354 N/A ARG 242.A NE ASP 141.A OD1 no hydrogen 2.833 N/A ARG 242.A NH1 GLY 47.A O no hydrogen 2.661 N/A ARG 242.A NH2 ALA 49.A O no hydrogen 2.720 N/A ARG 242.A NH2 ASP 141.A OD1 no hydrogen 3.394 N/A ARG 242.A NH2 ASP 141.A OD2 no hydrogen 2.833 N/A ARG 243.A N ASP 239.A O no hydrogen 2.892 N/A ASP 244.A N ALA 240.A O no hydrogen 3.266 N/A GLN 245.A N ARG 241.A O no hydrogen 2.993 N/A GLN 245.A N ARG 242.A O no hydrogen 3.203 N/A GLN 245.A NE2 VAL 140.A O no hydrogen 2.970 N/A GLN 246.A N ARG 242.A O no hydrogen 3.085 N/A VAL 247.A N ARG 243.A O no hydrogen 3.137 N/A ASP 248.A N ASP 244.A O no hydrogen 3.104 N/A TRP 249.A N GLN 245.A O no hydrogen 2.886 N/A THR 250.A N GLN 246.A O no hydrogen 3.047 N/A THR 250.A OG1 GLN 246.A O no hydrogen 2.808 N/A TRP 251.A N VAL 247.A O no hydrogen 3.267 N/A GLN 252.A N ASP 248.A O no hydrogen 3.045 N/A GLN 252.A NE2 ASP 256.A OD1 no hydrogen 3.553 N/A GLN 252.A NE2 ASP 256.A OD2 no hydrogen 3.044 N/A LEU 253.A N TRP 249.A O no hydrogen 2.904 N/A VAL 254.A N THR 250.A O no hydrogen 3.148 N/A ARG 255.A N TRP 251.A O no hydrogen 2.974 N/A ARG 255.A NH1 GLN 252.A OE1 no hydrogen 3.339 N/A ASP 256.A N GLN 252.A O no hydrogen 2.752 N/A ALA 257.A N LEU 253.A O no hydrogen 2.950 N/A VAL 258.A N VAL 254.A O no hydrogen 3.219 N/A LEU 259.A N ARG 255.A O no hydrogen 3.045 N/A ASP 260.A N ASP 256.A O no hydrogen 3.063 N/A VAL 262.A N LEU 259.A O no hydrogen 2.927 N/A TRP 263.A N LEU 259.A O no hydrogen 2.896 N/A SER 264.A N ASP 260.A O no hydrogen 2.919 N/A ASN 265.A N VAL 262.A O no hydrogen 3.095 N/A ASN 265.A ND2 THR 300.A OG1 no hydrogen 2.948 N/A VAL 268.A N ASN 265.A OD1 no hydrogen 2.997 N/A ARG 269.A N ASN 265.A O no hydrogen 2.953 N/A LYS 270.A N PRO 266.A O no hydrogen 2.999 N/A LYS 270.A N THR 267.A O no hydrogen 3.178 N/A VAL 271.A N THR 267.A O no hydrogen 3.212 N/A LEU 275.A N VAL 271.A O no hydrogen 3.140 N/A GLU 276.A N ARG 272.A O no hydrogen 2.917 N/A ARG 277.A N SER 273.A O no hydrogen 2.743 N/A ARG 277.A NE GLU 274.A OE1 no hydrogen 3.413 N/A ARG 277.A NH1 GLU 283.A OE2 no hydrogen 3.504 N/A ARG 277.A NH2 GLU 274.A OE2 no hydrogen 3.026 N/A ARG 277.A NH2 GLU 283.A OE1 no hydrogen 3.360 N/A ARG 278.A N GLU 274.A O no hydrogen 2.992 N/A ARG 278.A NE GLU 274.A OE2 no hydrogen 2.638 N/A ARG 278.A NH2 GLU 274.A OE2 no hydrogen 3.279 N/A VAL 279.A N LEU 275.A O no hydrogen 3.004 N/A ARG 280.A N GLU 276.A O no hydrogen 2.855 N/A ALA 281.A N ARG 277.A O no hydrogen 3.054 N/A GLY 282.A N VAL 279.A O no hydrogen 2.964 N/A GLU 283.A N ARG 278.A O no hydrogen 2.884 N/A LEU 288.A N THR 285.A OG1 no hydrogen 3.260 N/A ALA 289.A N THR 285.A O no hydrogen 3.077 N/A ALA 290.A N PRO 286.A O no hydrogen 2.956 N/A GLN 291.A N ALA 287.A O no hydrogen 3.063 N/A GLN 292.A N LEU 288.A O no hydrogen 3.077 N/A ILE 293.A N ALA 289.A O no hydrogen 2.895 N/A LEU 294.A N ALA 290.A O no hydrogen 3.012 N/A GLU 295.A N GLN 291.A O no hydrogen 2.844 N/A ILE 296.A N GLN 292.A O no hydrogen 3.070 N/A ALA 297.A N ILE 293.A O no hydrogen 2.944 N/A ASN 298.A N LEU 294.A O no hydrogen 2.875 N/A LEU 299.A N GLU 295.A O no hydrogen 2.945 N/A LEU 299.A N ILE 296.A O no hydrogen 3.065 N/A THR 300.A N ILE 296.A O no hydrogen 3.219 N/A THR 300.A OG1 ASN 265.A OD1 no hydrogen 3.192 N/A THR 300.A OG1 ILE 296.A O no hydrogen 3.066 N/A