Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cnr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N ASN 8.A O no hydrogen 2.969 N/A ASP 5.A N ASN 8.A OD1 no hydrogen 2.887 N/A HIS 7.A N ASP 5.A OD1 no hydrogen 2.798 N/A ASN 8.A N ASP 5.A O no hydrogen 3.262 N/A ASN 8.A N ASP 5.A OD1 no hydrogen 3.017 N/A HIS 12.A N GLY 9.A O no hydrogen 2.899 N/A TRP 13.A N PRO 10.A O no hydrogen 3.278 N/A TRP 13.A NE1 GLY 3.A O no hydrogen 3.089 N/A TRP 13.A NE1 ASN 8.A O no hydrogen 2.986 N/A LYS 15.A N HIS 12.A O no hydrogen 3.220 N/A PHE 17.A N TRP 13.A O no hydrogen 2.738 N/A ALA 20.A N PHE 17.A O no hydrogen 2.894 N/A ASN 21.A N PRO 18.A O no hydrogen 3.121 N/A GLY 22.A N ILE 19.A O no hydrogen 2.875 N/A ARG 24.A N GLU 201.A OE2 no hydrogen 3.142 N/A ARG 24.A NE GLY 192.A O no hydrogen 3.234 N/A ARG 24.A NH2 PRO 134.A O no hydrogen 3.489 N/A ARG 24.A NH2 GLY 192.A O no hydrogen 3.061 N/A GLN 25.A NE2 LEU 199.A O no hydrogen 3.394 N/A GLN 25.A NE2 GLU 201.A OE2 no hydrogen 2.949 N/A SER 26.A N SER 193.A OG no hydrogen 2.820 N/A SER 26.A OG TYR 190.A OH no hydrogen 2.692 N/A SER 26.A OG SER 193.A O no hydrogen 3.400 N/A ILE 30.A N THR 105.A O no hydrogen 2.837 N/A THR 32.A N ASP 107.A OD1 no hydrogen 2.931 N/A THR 32.A OG1 ASP 107.A OD1 no hydrogen 3.350 N/A THR 32.A OG1 ASP 107.A OD2 no hydrogen 2.585 N/A ASP 33.A N ASP 31.A OD1 no hydrogen 2.981 N/A ALA 34.A N ASP 31.A O no hydrogen 2.879 N/A VAL 35.A N ASP 31.A O no hydrogen 3.248 N/A VAL 36.A N VAL 252.A O no hydrogen 3.144 N/A ALA 40.A N ASP 38.A OD1 no hydrogen 2.925 N/A LEU 41.A N ASP 38.A O no hydrogen 3.053 N/A LYS 42.A N GLY 79.A O no hydrogen 3.227 N/A ALA 45.A N LYS 77.A O no hydrogen 2.989 N/A ASP 47.A N VAL 75.A O no hydrogen 2.913 N/A TYR 48.A OH HIS 119.A NE2 no hydrogen 2.834 N/A GLY 49.A N ASP 47.A OD1 no hydrogen 3.441 N/A ALA 51.A N TYR 48.A O no hydrogen 3.050 N/A THR 52.A OG1 GLU 50.A O no hydrogen 3.019 N/A SER 53.A OG PHE 172.A O no hydrogen 2.597 N/A ARG 54.A N GLU 66.A O no hydrogen 2.807 N/A ARG 54.A NH2 ASP 68.A OD2 no hydrogen 3.052 N/A MET 56.A N THR 170.A O no hydrogen 2.929 N/A VAL 57.A N ASN 64.A O no hydrogen 2.971 N/A ASN 58.A N LYS 168.A O no hydrogen 2.972 N/A ASN 58.A ND2 ILE 163.A O no hydrogen 3.157 N/A ASN 58.A ND2 ASN 226.A O no hydrogen 3.189 N/A ASP 59.A N SER 62.A O no hydrogen 3.228 N/A GLY 60.A N ASN 58.A OD1 no hydrogen 2.760 N/A HIS 61.A N ASP 59.A OD1 no hydrogen 2.842 N/A SER 62.A N ASP 59.A OD1 no hydrogen 2.849 N/A SER 62.A OG PHE 92.A O no hydrogen 2.691 N/A ASN 64.A N VAL 57.A O no hydrogen 2.921 N/A ASN 64.A ND2 ASP 59.A OD2 no hydrogen 3.519 N/A VAL 65.A N PHE 90.A O no hydrogen 2.800 N/A GLU 66.A N ARG 55.A O no hydrogen 2.796 N/A TYR 67.A N VAL 88.A O no hydrogen 2.789 N/A TYR 67.A OH PHE 175.A O no hydrogen 2.807 N/A ASP 68.A N THR 52.A O no hydrogen 3.036 N/A SER 70.A N ASP 68.A OD1 no hydrogen 3.012 N/A SER 70.A OG ASP 68.A OD1 no hydrogen 2.838 N/A SER 70.A OG ASP 68.A OD2 no hydrogen 3.505 N/A LYS 73.A NZ ASP 68.A OD2 no hydrogen 3.492 N/A VAL 75.A N ASP 47.A O no hydrogen 3.085 N/A LEU 76.A N TYR 85.A O no hydrogen 2.705 N/A LYS 77.A N ALA 45.A O no hydrogen 2.956 N/A GLY 79.A N PRO 43.A O no hydrogen 2.942 N/A LEU 81.A N ASP 78.A O no hydrogen 2.784 N/A TYR 85.A N LEU 76.A O no hydrogen 2.938 N/A TYR 85.A OH ASP 135.A O no hydrogen 2.760 N/A ARG 86.A N TRP 120.A O no hydrogen 2.858 N/A ARG 86.A NE ASP 72.A OD1 no hydrogen 2.634 N/A ARG 86.A NH1 ASP 69.A O no hydrogen 3.108 N/A ARG 86.A NH2 ASP 72.A OD1 no hydrogen 3.139 N/A ARG 86.A NH2 ASP 72.A OD2 no hydrogen 3.269 N/A LEU 87.A N ALA 74.A O no hydrogen 2.752 N/A VAL 88.A N VAL 118.A O no hydrogen 2.986 N/A PHE 90.A N VAL 65.A O no hydrogen 3.035 N/A HIS 91.A N HIS 116.A O no hydrogen 2.954 N/A HIS 91.A ND1 GLN 89.A OE1 no hydrogen 2.709 N/A HIS 93.A N GLU 114.A O no hydrogen 2.894 N/A HIS 93.A ND1 ASN 240.A O no hydrogen 2.646 N/A TRP 94.A N ASN 240.A OD1 no hydrogen 2.893 N/A TRP 94.A NE1 MET 237.A O no hydrogen 2.818 N/A SER 97.A OG ASP 99.A OD1 no hydrogen 2.530 N/A GLN 100.A N SER 97.A O no hydrogen 3.299 N/A SER 102.A N TYR 111.A O no hydrogen 3.016 N/A SER 102.A OG HIS 104.A O no hydrogen 2.836 N/A GLU 103.A N GLU 114.A OE1 no hydrogen 2.672 N/A HIS 104.A N GLU 114.A OE1 no hydrogen 2.777 N/A HIS 104.A ND1 GLU 114.A OE2 no hydrogen 2.744 N/A HIS 104.A NE2 TYR 190.A OH no hydrogen 2.677 N/A THR 105.A OG1 ASP 29.A OD1 no hydrogen 2.670 N/A VAL 106.A N LYS 109.A O no hydrogen 3.104 N/A ASP 107.A N ILE 30.A O no hydrogen 2.942 N/A ARG 108.A N ASP 29.A OD1 no hydrogen 2.768 N/A LYS 109.A N VAL 106.A O no hydrogen 2.821 N/A LYS 109.A NZ TYR 111.A OH no hydrogen 3.054 N/A TYR 111.A N SER 102.A OG no hydrogen 3.098 N/A ALA 112.A N LEU 144.A O no hydrogen 3.250 N/A GLU 114.A N HIS 93.A O no hydrogen 2.890 N/A LEU 115.A N VAL 142.A O no hydrogen 2.723 N/A HIS 116.A N HIS 91.A O no hydrogen 2.817 N/A HIS 116.A NE2 GLU 114.A OE2 no hydrogen 2.646 N/A LEU 117.A N VAL 140.A O no hydrogen 3.007 N/A VAL 118.A N GLN 89.A O no hydrogen 2.710 N/A HIS 119.A N ALA 138.A O no hydrogen 2.772 N/A HIS 119.A ND1 ALA 138.A O no hydrogen 3.039 N/A HIS 119.A NE2 TYR 48.A OH no hydrogen 2.834 N/A TRP 120.A N ARG 86.A O no hydrogen 2.973 N/A TRP 120.A NE1 ASP 69.A OD2 no hydrogen 2.730 N/A ASN 121.A N GLY 136.A O no hydrogen 2.729 N/A ASN 121.A ND2 ASP 135.A O no hydrogen 3.295 N/A THR 122.A N THR 84.A O no hydrogen 2.948 N/A THR 122.A OG1 THR 84.A O no hydrogen 3.407 N/A LYS 123.A N ASN 121.A OD1 no hydrogen 3.162 N/A LYS 123.A NZ TYR 124.A OH no hydrogen 3.435 N/A LYS 123.A NZ ASP 135.A OD2 no hydrogen 3.222 N/A TYR 124.A N ASN 121.A O no hydrogen 3.131 N/A TYR 124.A OH ASP 135.A OD1 no hydrogen 2.535 N/A TYR 124.A OH ASP 135.A OD2 no hydrogen 3.300 N/A GLY 125.A N THR 122.A O no hydrogen 3.088 N/A ASP 126.A N TYR 124.A O no hydrogen 2.892 N/A THR 129.A N ASP 126.A OD1 no hydrogen 2.822 N/A THR 129.A OG1 ASP 126.A OD1 no hydrogen 2.483 N/A ALA 130.A N ASP 126.A O no hydrogen 2.964 N/A ALA 131.A N PHE 127.A O no hydrogen 2.735 N/A GLN 132.A N THR 129.A O no hydrogen 3.221 N/A GLN 132.A NE2 GLY 128.A O no hydrogen 3.103 N/A GLU 133.A N ALA 130.A O no hydrogen 3.040 N/A GLY 136.A N GLU 133.A O no hydrogen 2.982 N/A LEU 137.A N SER 202.A O no hydrogen 2.852 N/A ALA 138.A N HIS 119.A O no hydrogen 2.835 N/A VAL 139.A N THR 204.A O no hydrogen 3.304 N/A VAL 140.A N LEU 117.A O no hydrogen 3.078 N/A GLY 141.A N ILE 206.A O no hydrogen 2.727 N/A VAL 142.A N LEU 115.A O no hydrogen 2.846 N/A LEU 144.A N ALA 113.A O no hydrogen 2.833 N/A LYS 145.A N ILE 212.A O no hydrogen 2.821 N/A GLY 147.A N VAL 214.A O no hydrogen 2.680 N/A ASN 150.A N GLN 218.A OE1 no hydrogen 2.958 N/A ASN 150.A ND2 SER 213.A O no hydrogen 2.930 N/A LEU 153.A N ASN 150.A OD1 no hydrogen 3.130 N/A GLN 154.A N ASN 150.A O no hydrogen 3.101 N/A GLN 154.A NE2 ASP 158.A OD1 no hydrogen 2.898 N/A LYS 155.A N ALA 152.A O no hydrogen 3.354 N/A LYS 155.A NZ ASN 174.A O no hydrogen 3.516 N/A LEU 157.A N LEU 153.A O no hydrogen 3.149 N/A ASP 158.A N GLN 154.A O no hydrogen 2.970 N/A ALA 159.A N VAL 156.A O no hydrogen 3.367 N/A LEU 160.A N LEU 157.A O no hydrogen 3.160 N/A SER 162.A N ALA 159.A O no hydrogen 3.063 N/A SER 162.A OG ALA 159.A O no hydrogen 2.672 N/A ILE 163.A N LEU 160.A O no hydrogen 3.084 N/A LYS 164.A NZ GLU 234.A OE2 no hydrogen 3.490 N/A LYS 166.A N ASN 228.A O no hydrogen 2.916 N/A GLY 167.A N ASN 58.A O no hydrogen 2.706 N/A LYS 168.A N THR 165.A O no hydrogen 3.221 N/A LYS 168.A NZ SER 162.A O no hydrogen 3.451 N/A THR 170.A N MET 56.A O no hydrogen 2.964 N/A PHE 172.A N ARG 54.A O no hydrogen 2.797 N/A PHE 175.A N SER 53.A OG no hydrogen 2.988 N/A GLY 178.A N ASP 176.A OD1 no hydrogen 3.025 N/A SER 179.A N ASP 176.A O no hydrogen 3.051 N/A SER 179.A OG ASP 176.A O no hydrogen 2.713 N/A LEU 180.A N PRO 177.A O no hydrogen 3.173 N/A LEU 181.A N GLY 178.A O no hydrogen 3.175 N/A TYR 187.A N PHE 255.A O no hydrogen 2.931 N/A TYR 187.A OH LYS 42.A O no hydrogen 2.727 N/A TRP 188.A N VAL 207.A O no hydrogen 2.738 N/A THR 189.A N ARG 253.A O no hydrogen 2.769 N/A THR 189.A OG1 TRP 205.A O no hydrogen 2.730 N/A TYR 190.A N TRP 205.A O no hydrogen 3.298 N/A TYR 190.A OH SER 26.A OG no hydrogen 2.692 N/A TYR 190.A OH HIS 104.A NE2 no hydrogen 2.677 N/A GLY 192.A N VAL 203.A O no hydrogen 2.753 N/A SER 193.A N SER 26.A OG no hydrogen 2.877 N/A SER 193.A OG LEU 194.A O no hydrogen 2.864 N/A LEU 194.A N LEU 200.A O no hydrogen 3.042 N/A THR 195.A OG1 GLU 103.A OE1 no hydrogen 2.587 N/A LEU 199.A N THR 196.A O no hydrogen 2.790 N/A SER 202.A OG ALA 131.A O no hydrogen 2.678 N/A VAL 203.A N GLY 192.A O no hydrogen 3.336 N/A THR 204.A N LEU 137.A O no hydrogen 2.898 N/A TRP 205.A N TYR 190.A O no hydrogen 2.970 N/A TRP 205.A NE1 SER 193.A O no hydrogen 2.744 N/A ILE 206.A N VAL 139.A O no hydrogen 2.936 N/A VAL 207.A N TRP 188.A O no hydrogen 2.797 N/A LEU 208.A N GLY 141.A O no hydrogen 2.877 N/A LYS 209.A N ASP 186.A O no hydrogen 2.878 N/A LYS 209.A NZ LYS 257.A O no hydrogen 2.719 N/A ILE 212.A N PHE 143.A O no hydrogen 2.897 N/A SER 213.A OG ASP 148.A O no hydrogen 2.623 N/A VAL 214.A N LYS 145.A O no hydrogen 3.065 N/A SER 215.A N GLN 218.A OE1 no hydrogen 3.098 N/A SER 215.A OG GLN 218.A OE1 no hydrogen 3.393 N/A SER 216.A OG ASP 98.A OD2 no hydrogen 2.621 N/A GLN 218.A N SER 215.A OG no hydrogen 2.954 N/A GLN 218.A NE2 ASN 150.A O no hydrogen 2.754 N/A GLN 218.A NE2 GLN 154.A OE1 no hydrogen 2.907 N/A MET 219.A N SER 215.A O no hydrogen 3.052 N/A LEU 220.A N SER 216.A O no hydrogen 3.354 N/A LEU 220.A N GLN 217.A O no hydrogen 3.203 N/A LYS 221.A N GLN 218.A O no hydrogen 2.983 N/A LYS 221.A NZ ASP 161.A OD1 no hydrogen 2.785 N/A LYS 221.A NZ ASP 161.A OD2 no hydrogen 3.310 N/A ARG 223.A NE GLY 95.A O no hydrogen 2.704 N/A ARG 223.A NH2 GLY 95.A O no hydrogen 3.443 N/A ARG 223.A NH2 ASP 98.A OD1 no hydrogen 2.804 N/A THR 224.A N LYS 221.A O no hydrogen 3.129 N/A THR 224.A OG1 LYS 221.A O no hydrogen 2.624 N/A LEU 225.A N PHE 222.A O no hydrogen 3.410 N/A ASN 226.A N LYS 164.A O no hydrogen 2.785 N/A PHE 227.A N GLU 235.A O no hydrogen 2.854 N/A ASN 228.A ND2 ALA 229.A O no hydrogen 2.883 N/A ALA 229.A N GLU 232.A OE1 no hydrogen 2.879 N/A GLU 232.A N ALA 229.A O no hydrogen 3.213 N/A GLU 235.A N ASN 228.A OD1 no hydrogen 2.777 N/A MET 237.A N LEU 225.A O no hydrogen 2.680 N/A LEU 238.A N LEU 236.A O no hydrogen 2.851 N/A ASN 240.A N TRP 94.A O no hydrogen 3.032 N/A ASN 240.A ND2 HIS 61.A O no hydrogen 2.858 N/A ARG 242.A N GLU 103.A OE2 no hydrogen 2.771 N/A ARG 242.A NH1 GLN 25.A OE1 no hydrogen 2.990 N/A ARG 242.A NH1 SER 26.A O no hydrogen 2.806 N/A ARG 242.A NH2 ALA 20.A O no hydrogen 3.330 N/A GLN 245.A N PRO 27.A O no hydrogen 2.666 N/A GLN 245.A NE2 PRO 243.A O no hydrogen 2.952 N/A LYS 248.A NZ GLY 22.A O no hydrogen 3.283 N/A ARG 250.A N LEU 247.A O no hydrogen 3.257 N/A ARG 250.A NE LEU 247.A O no hydrogen 2.889 N/A ARG 250.A NH1 GLN 25.A O no hydrogen 2.961 N/A ARG 250.A NH1 PRO 191.A O no hydrogen 3.016 N/A ARG 250.A NH2 GLN 25.A O no hydrogen 2.889 N/A ARG 250.A NH2 PRO 246.A O no hydrogen 2.872 N/A ARG 250.A NH2 LEU 247.A O no hydrogen 3.549 N/A GLN 251.A NE2 ALA 34.A O no hydrogen 3.256 N/A GLN 251.A NE2 VAL 252.A O no hydrogen 3.444 N/A ARG 253.A N THR 189.A O no hydrogen 2.986 N/A ARG 253.A NH1 ASP 38.A OD2 no hydrogen 2.877 N/A GLY 254.A N VAL 36.A O no hydrogen 2.986 N/A PHE 255.A N TYR 187.A O no hydrogen 2.913 N/A