Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ccy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N VAL 1.A O no hydrogen 3.048 N/A ARG 6.A N GLU 2.A O no hydrogen 3.237 N/A PHE 7.A N SER 3.A O no hydrogen 2.969 N/A TYR 8.A N GLY 4.A O no hydrogen 2.931 N/A GLN 9.A N LEU 5.A O no hydrogen 2.825 N/A ALA 10.A N ARG 6.A O no hydrogen 2.908 N/A TYR 11.A N PHE 7.A O no hydrogen 2.804 N/A TYR 11.A OH ASP 77.A OD1 no hydrogen 2.935 N/A TYR 11.A OH ASP 77.A OD2 no hydrogen 2.612 N/A ASP 12.A N TYR 8.A O no hydrogen 2.996 N/A GLN 13.A N GLN 9.A O no hydrogen 3.019 N/A SER 14.A N ALA 10.A O no hydrogen 2.910 N/A SER 14.A OG ALA 10.A O no hydrogen 3.310 N/A SER 14.A OG LEU 185.A O no hydrogen 3.195 N/A SER 14.A OG GLN 189.A OE1 no hydrogen 2.777 N/A LEU 15.A N TYR 11.A O no hydrogen 3.085 N/A LEU 15.A N ASP 12.A O no hydrogen 3.252 N/A SER 16.A N GLN 13.A O no hydrogen 3.000 N/A SER 16.A OG GLN 13.A O no hydrogen 2.633 N/A LEU 17.A N SER 14.A O no hydrogen 3.116 N/A TRP 18.A N LEU 15.A O no hydrogen 3.036 N/A GLU 23.A N ALA 38.A O no hydrogen 2.885 N/A PHE 25.A N ILE 36.A O no hydrogen 3.004 N/A VAL 27.A N THR 34.A O no hydrogen 2.826 N/A THR 29.A OG1 GLY 32.A O no hydrogen 2.725 N/A ARG 30.A N ASP 103.A OD2 no hydrogen 2.770 N/A ARG 30.A NE ASP 103.A OD1 no hydrogen 3.368 N/A ARG 30.A NE ASP 103.A OD2 no hydrogen 2.978 N/A ARG 30.A NH2 ASP 103.A OD1 no hydrogen 2.817 N/A PHE 31.A N THR 29.A OG1 no hydrogen 3.105 N/A GLY 32.A N THR 29.A O no hydrogen 3.021 N/A THR 34.A N VAL 27.A O no hydrogen 2.851 N/A THR 34.A OG1 GLY 32.A O no hydrogen 3.256 N/A HIS 35.A N SER 85.A OG no hydrogen 2.877 N/A ILE 36.A N PHE 25.A O no hydrogen 2.797 N/A ILE 37.A N ALA 75.A O no hydrogen 2.927 N/A ALA 38.A N GLU 23.A O no hydrogen 2.865 N/A SER 39.A N THR 73.A O no hydrogen 2.944 N/A LYS 42.A NZ GLU 23.A OE2 no hydrogen 3.084 N/A ALA 44.A N PRO 41.A O no hydrogen 3.121 N/A LEU 47.A N ARG 72.A O no hydrogen 2.881 N/A ILE 48.A N HIS 114.A O no hydrogen 2.823 N/A LEU 49.A N TYR 74.A O no hydrogen 2.790 N/A LEU 50.A N ALA 116.A O no hydrogen 2.890 N/A HIS 51.A ND1 GLY 52.A O no hydrogen 2.703 N/A LEU 54.A N ASP 81.A OD1 no hydrogen 3.361 N/A LEU 54.A N ASP 81.A OD2 no hydrogen 2.791 N/A PHE 55.A N GLY 52.A O no hydrogen 3.217 N/A SER 56.A OG PHE 55.A O no hydrogen 2.368 N/A SER 57.A N ASP 77.A OD1 no hydrogen 2.903 N/A SER 57.A OG ASP 77.A OD1 no hydrogen 2.770 N/A ALA 58.A N SER 56.A OG no hydrogen 3.201 N/A MET 59.A N SER 56.A O no hydrogen 3.362 N/A TRP 60.A N SER 57.A O no hydrogen 3.220 N/A TYR 61.A N ALA 58.A O no hydrogen 3.282 N/A ASN 63.A N TRP 60.A O no hydrogen 3.012 N/A ASN 63.A ND2 SER 266.A O no hydrogen 3.038 N/A ASN 63.A ND2 ASN 274.A OD1 no hydrogen 2.792 N/A ILE 64.A N TRP 60.A O no hydrogen 2.905 N/A TRP 67.A N ASN 63.A O no hydrogen 3.247 N/A TRP 67.A NE1 ASN 274.A O no hydrogen 2.952 N/A SER 68.A N ILE 64.A O no hydrogen 2.959 N/A SER 68.A OG ILE 64.A O no hydrogen 2.957 N/A SER 68.A OG THR 73.A OG1 no hydrogen 2.650 N/A SER 69.A OG ALA 65.A O no hydrogen 3.032 N/A SER 69.A OG ALA 66.A O no hydrogen 3.277 N/A PHE 71.A N TRP 67.A O no hydrogen 3.161 N/A ARG 72.A N PRO 45.A O no hydrogen 2.960 N/A ARG 72.A NH1 GLY 40.A O no hydrogen 2.899 N/A ARG 72.A NH2 GLU 23.A OE1 no hydrogen 2.927 N/A THR 73.A N SER 39.A O no hydrogen 2.927 N/A THR 73.A OG1 SER 39.A O no hydrogen 3.434 N/A THR 73.A OG1 SER 68.A OG no hydrogen 2.650 N/A TYR 74.A N LEU 47.A O no hydrogen 2.786 N/A ALA 75.A N ILE 37.A O no hydrogen 2.811 N/A VAL 76.A N LEU 49.A O no hydrogen 2.972 N/A ASP 77.A N HIS 35.A O no hydrogen 3.015 N/A ILE 78.A N HIS 51.A NE2 no hydrogen 2.858 N/A ASP 81.A N ILE 78.A O no hydrogen 3.295 N/A LYS 82.A N ASP 81.A OD1 no hydrogen 2.712 N/A LYS 82.A NZ GLY 193.A O no hydrogen 2.775 N/A LYS 82.A NZ TRP 196.A O no hydrogen 2.820 N/A ASN 83.A ND2 ILE 78.A O no hydrogen 2.815 N/A LYS 84.A N ASP 77.A OD2 no hydrogen 3.196 N/A LYS 84.A NZ ASP 12.A OD1 no hydrogen 2.733 N/A SER 85.A N ASN 83.A OD1 no hydrogen 2.919 N/A SER 85.A OG ASP 77.A O no hydrogen 2.634 N/A ILE 86.A N LYS 33.A O no hydrogen 2.806 N/A SER 88.A N PHE 31.A O no hydrogen 3.068 N/A GLU 92.A N ASP 96.A OD2 no hydrogen 2.945 N/A THR 93.A N ASP 96.A OD2 no hydrogen 3.104 N/A ARG 94.A N ASN 208.A O no hydrogen 2.807 N/A ARG 94.A NH1 GLY 209.A O no hydrogen 2.857 N/A ASP 96.A N THR 93.A OG1 no hydrogen 3.071 N/A PHE 97.A N THR 93.A O no hydrogen 3.086 N/A ALA 98.A N ARG 94.A O no hydrogen 3.311 N/A GLU 99.A N ALA 95.A O no hydrogen 2.986 N/A TRP 100.A N ASP 96.A O no hydrogen 2.780 N/A TRP 100.A NE1 THR 34.A OG1 no hydrogen 2.955 N/A MET 101.A N PHE 97.A O no hydrogen 3.138 N/A LYS 102.A N ALA 98.A O no hydrogen 2.986 N/A LYS 102.A NZ GLU 99.A OE2 no hydrogen 3.343 N/A ASP 103.A N GLU 99.A O no hydrogen 3.052 N/A VAL 104.A N TRP 100.A O no hydrogen 3.060 N/A PHE 105.A N MET 101.A O no hydrogen 2.897 N/A ASP 106.A N LYS 102.A O no hydrogen 2.794 N/A SER 107.A N ASP 103.A O no hydrogen 2.805 N/A SER 107.A OG SER 28.A O no hydrogen 2.759 N/A SER 107.A OG ASP 103.A O no hydrogen 3.177 N/A LEU 108.A N VAL 104.A O no hydrogen 2.981 N/A LEU 108.A N PHE 105.A O no hydrogen 3.157 N/A GLY 109.A N ASP 106.A O no hydrogen 2.987 N/A LEU 110.A N PHE 105.A O no hydrogen 2.866 N/A THR 112.A OG1 GLU 137.A OE2 no hydrogen 2.621 N/A ALA 113.A N ARG 135.A O no hydrogen 3.130 N/A HIS 114.A N SER 46.A O no hydrogen 2.980 N/A LEU 115.A N ARG 138.A O no hydrogen 3.031 N/A ALA 116.A N ILE 48.A O no hydrogen 2.865 N/A GLY 117.A N VAL 140.A O no hydrogen 2.975 N/A LEU 118.A N LEU 50.A O no hydrogen 2.961 N/A SER 119.A N ILE 142.A O no hydrogen 2.822 N/A SER 119.A OG HIS 263.A NE2 no hydrogen 2.798 N/A GLY 121.A N HIS 51.A O no hydrogen 3.170 N/A SER 123.A N SER 119.A O no hydrogen 2.865 N/A SER 123.A OG SER 119.A O no hydrogen 3.506 N/A SER 123.A OG ALA 145.A O no hydrogen 2.549 N/A HIS 124.A N LEU 120.A O no hydrogen 2.818 N/A ILE 125.A N GLY 121.A O no hydrogen 3.015 N/A VAL 126.A N GLY 122.A O no hydrogen 3.108 N/A ASN 127.A N SER 123.A O no hydrogen 3.121 N/A ASN 127.A ND2 ARG 94.A O no hydrogen 2.791 N/A PHE 128.A N HIS 124.A O no hydrogen 2.741 N/A LEU 129.A N ILE 125.A O no hydrogen 2.877 N/A LEU 130.A N VAL 126.A O no hydrogen 3.177 N/A ARG 131.A N ASN 127.A O no hydrogen 3.007 N/A ARG 131.A NE ASN 127.A OD1 no hydrogen 3.114 N/A ALA 132.A N PHE 128.A O no hydrogen 2.583 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.802 N/A ARG 135.A N ALA 132.A O no hydrogen 2.920 N/A ARG 135.A NE GLU 111.A O no hydrogen 2.683 N/A ARG 135.A NH2 ASP 106.A OD1 no hydrogen 2.966 N/A ARG 135.A NH2 LEU 110.A O no hydrogen 2.895 N/A VAL 136.A N PRO 133.A O no hydrogen 3.117 N/A GLU 137.A N ALA 113.A O no hydrogen 2.824 N/A ARG 138.A N HIS 114.A ND1 no hydrogen 3.029 N/A ARG 138.A NH1 PHE 280.A O no hydrogen 2.935 N/A ALA 139.A N PRO 225.A O no hydrogen 2.895 N/A VAL 140.A N LEU 115.A O no hydrogen 2.840 N/A VAL 141.A N LEU 227.A O no hydrogen 2.705 N/A ILE 142.A N GLY 117.A O no hydrogen 2.813 N/A SER 143.A N MET 229.A O no hydrogen 2.847 N/A SER 143.A OG HIS 263.A O no hydrogen 2.671 N/A ALA 145.A N SER 119.A O no hydrogen 3.170 N/A ALA 147.A N TYR 212.A O no hydrogen 2.746 N/A PHE 148.A N GLU 146.A O no hydrogen 2.818 N/A PHE 151.A N GLU 146.A OE2 no hydrogen 2.798 N/A HIS 152.A N MET 236.A O no hydrogen 2.878 N/A VAL 155.A N HIS 152.A O no hydrogen 2.929 N/A TYR 156.A N PRO 153.A O no hydrogen 3.301 N/A TYR 158.A N ASP 154.A O no hydrogen 3.218 N/A ALA 159.A N VAL 155.A O no hydrogen 2.927 N/A ALA 160.A N TYR 156.A O no hydrogen 2.842 N/A GLU 161.A N LYS 157.A O no hydrogen 3.184 N/A LEU 162.A N ALA 159.A O no hydrogen 3.185 N/A THR 163.A N GLU 161.A O no hydrogen 2.854 N/A ALA 168.A N GLY 164.A O no hydrogen 3.220 N/A GLU 169.A N ALA 165.A O no hydrogen 2.967 N/A SER 170.A N ARG 166.A O no hydrogen 3.049 N/A TYR 171.A N GLY 167.A O no hydrogen 2.904 N/A ILE 172.A N ALA 168.A O no hydrogen 2.862 N/A LYS 173.A N GLU 169.A O no hydrogen 2.876 N/A TRP 174.A N SER 170.A O no hydrogen 3.192 N/A ILE 175.A N TYR 171.A O no hydrogen 2.865 N/A THR 176.A N ILE 172.A O no hydrogen 2.946 N/A THR 176.A OG1 ILE 172.A O no hydrogen 2.827 N/A THR 176.A OG1 LYS 173.A O no hydrogen 3.426 N/A THR 176.A OG1 GLY 177.A O no hydrogen 3.383 N/A THR 176.A OG1 TYR 180.A O no hydrogen 3.324 N/A LEU 185.A N HIS 183.A ND1 no hydrogen 2.965 N/A GLN 187.A N HIS 183.A O no hydrogen 3.078 N/A GLN 187.A NE2 GLU 169.A OE1 no hydrogen 3.358 N/A ARG 188.A N PRO 184.A O no hydrogen 3.024 N/A GLN 189.A N LEU 185.A O no hydrogen 3.051 N/A GLN 189.A NE2 SER 56.A OG no hydrogen 2.839 N/A ILE 190.A N LEU 186.A O no hydrogen 3.053 N/A VAL 191.A N GLN 187.A O no hydrogen 3.172 N/A ALA 192.A N ARG 188.A O no hydrogen 2.909 N/A GLY 193.A N GLN 189.A O no hydrogen 2.756 N/A VAL 194.A N ILE 190.A O no hydrogen 3.092 N/A GLU 195.A N VAL 191.A O no hydrogen 2.942 N/A TRP 196.A N ALA 192.A O no hydrogen 3.065 N/A ARG 201.A N ASP 198.A O no hydrogen 3.093 N/A ARG 201.A NH1 TYR 8.A OH no hydrogen 2.902 N/A ARG 201.A NH1 ASN 83.A O no hydrogen 2.925 N/A SER 202.A N GLU 199.A O no hydrogen 3.225 N/A SER 202.A OG ASP 198.A O no hydrogen 2.778 N/A LYS 204.A NZ GLU 199.A O no hydrogen 3.078 N/A THR 206.A N PHE 210.A O no hydrogen 3.317 N/A THR 206.A OG1 GLU 92.A O no hydrogen 2.534 N/A GLY 209.A N THR 206.A O no hydrogen 3.014 N/A TYR 212.A OH GLU 218.A OE1 no hydrogen 2.709 N/A PHE 214.A N ALA 147.A O no hydrogen 2.786 N/A THR 215.A N GLU 218.A OE1 no hydrogen 2.894 N/A THR 215.A OG1 GLU 218.A OE1 no hydrogen 3.314 N/A GLU 218.A N THR 215.A OG1 no hydrogen 3.038 N/A LEU 219.A N THR 215.A O no hydrogen 2.971 N/A LYS 220.A N ASP 216.A O no hydrogen 2.896 N/A SER 221.A N GLU 218.A O no hydrogen 3.081 N/A SER 221.A OG GLU 218.A O no hydrogen 2.597 N/A ILE 222.A N LEU 219.A O no hydrogen 3.304 N/A LEU 227.A N ALA 139.A O no hydrogen 2.795 N/A LEU 228.A N GLN 254.A O no hydrogen 2.698 N/A MET 229.A N VAL 141.A O no hydrogen 2.918 N/A PHE 230.A N GLU 256.A O no hydrogen 2.967 N/A GLU 232.A N VAL 258.A O no hydrogen 2.817 N/A HIS 233.A N ALA 261.A O no hydrogen 2.776 N/A GLU 234.A N GLY 231.A O no hydrogen 3.093 N/A MET 236.A N GLU 234.A OE2 no hydrogen 2.956 N/A TYR 237.A OH PRO 144.A O no hydrogen 2.759 N/A GLN 240.A NE2 GLU 244.A OE2 no hydrogen 3.307 N/A ALA 242.A N HIS 238.A O no hydrogen 3.232 N/A PHE 243.A N GLN 239.A O no hydrogen 2.853 N/A GLU 244.A N GLN 240.A O no hydrogen 2.808 N/A ARG 245.A N MET 241.A O no hydrogen 2.968 N/A ARG 245.A NE ASP 216.A OD1 no hydrogen 3.359 N/A ARG 245.A NH1 PHE 148.A O no hydrogen 2.989 N/A ARG 245.A NH1 PHE 214.A O no hydrogen 3.021 N/A ARG 245.A NH2 PHE 214.A O no hydrogen 2.739 N/A ARG 245.A NH2 ASP 216.A OD1 no hydrogen 2.758 N/A ALA 246.A N ALA 242.A O no hydrogen 2.904 N/A SER 247.A N PHE 243.A O no hydrogen 2.874 N/A SER 247.A OG PHE 243.A O no hydrogen 2.973 N/A VAL 248.A N GLU 244.A O no hydrogen 3.047 N/A LEU 249.A N ARG 245.A O no hydrogen 3.043 N/A VAL 250.A N ALA 246.A O no hydrogen 2.974 N/A ILE 253.A N VAL 250.A O no hydrogen 3.296 N/A GLN 254.A N VAL 226.A O no hydrogen 3.024 N/A GLU 256.A N LEU 228.A O no hydrogen 2.906 N/A VAL 258.A N PHE 230.A O no hydrogen 2.731 N/A ASN 260.A N GLU 232.A OE2 no hydrogen 2.628 N/A GLY 262.A N GLU 268.A OE1 no hydrogen 2.620 N/A HIS 263.A ND1 GLU 234.A OE1 no hydrogen 2.660 N/A HIS 263.A NE2 SER 119.A OG no hydrogen 2.798 N/A LEU 265.A N HIS 263.A O no hydrogen 2.910 N/A LEU 267.A N LEU 264.A O no hydrogen 3.001 N/A GLU 268.A N LEU 264.A O no hydrogen 2.883 N/A GLN 269.A N LEU 265.A O no hydrogen 3.040 N/A GLN 269.A NE2 ASN 260.A O no hydrogen 2.868 N/A GLU 271.A N GLU 271.A OE1 no hydrogen 2.759 N/A TYR 272.A OH GLU 256.A OE2 no hydrogen 2.438 N/A VAL 273.A N GLN 269.A O no hydrogen 3.003 N/A ASN 274.A N PRO 270.A O no hydrogen 2.743 N/A ASN 274.A ND2 PRO 62.A O no hydrogen 2.958 N/A GLN 275.A N GLU 271.A O no hydrogen 3.398 N/A GLN 275.A NE2 GLN 275.A O no hydrogen 2.848 N/A GLN 275.A NE2 SER 279.A OG no hydrogen 2.991 N/A ARG 276.A N TYR 272.A O no hydrogen 2.936 N/A ARG 276.A NE GLU 256.A OE1 no hydrogen 2.763 N/A ARG 276.A NH1 ARG 276.A O no hydrogen 3.263 N/A ARG 276.A NH2 GLN 254.A OE1 no hydrogen 2.902 N/A VAL 277.A N VAL 273.A O no hydrogen 3.012 N/A LEU 278.A N ASN 274.A O no hydrogen 3.126 N/A SER 279.A N GLN 275.A O no hydrogen 2.827 N/A SER 279.A OG GLN 275.A O no hydrogen 3.399 N/A PHE 280.A N ARG 276.A O no hydrogen 2.992 N/A LEU 281.A N VAL 277.A O no hydrogen 2.746 N/A