Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3zs4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N GLU 220.A O no hydrogen 2.993 N/A LEU 6.A N ALA 222.A O no hydrogen 2.879 N/A ALA 8.A N VAL 224.A O no hydrogen 2.906 N/A VAL 9.A N HIS 49.A O no hydrogen 2.779 N/A VAL 11.A N VAL 51.A O no hydrogen 2.781 N/A VAL 12.A N ARG 15.A O no hydrogen 2.963 N/A GLU 13.A N ASP 54.A OD2 no hydrogen 2.916 N/A GLY 14.A N ASN 62.A OD1 no hydrogen 3.001 N/A ARG 15.A N VAL 12.A O no hydrogen 2.881 N/A ARG 15.A NE GLU 29.A OE2 no hydrogen 2.554 N/A ARG 15.A NH2 GLU 29.A OE2 no hydrogen 3.318 N/A ALA 16.A N GLY 31.A O no hydrogen 2.839 N/A VAL 17.A N ASP 10.A O no hydrogen 2.926 N/A ARG 18.A N THR 28.A O no hydrogen 2.894 N/A ARG 18.A NH1 ASP 10.A OD1 no hydrogen 2.948 N/A VAL 20.A N SER 26.A OG no hydrogen 2.806 N/A GLN 21.A N ASP 174.A O no hydrogen 2.837 N/A GLN 21.A NE2 THR 172.A O no hydrogen 2.696 N/A LYS 23.A N VAL 20.A O no hydrogen 3.083 N/A SER 26.A N LYS 23.A O no hydrogen 3.088 N/A SER 26.A OG VAL 20.A O no hydrogen 3.463 N/A SER 26.A OG LYS 23.A O no hydrogen 2.688 N/A THR 28.A N ARG 18.A O no hydrogen 2.967 N/A TYR 30.A N ALA 16.A O no hydrogen 2.782 N/A GLY 31.A N GLU 29.A OE1 no hydrogen 2.636 N/A ALA 33.A N GLY 14.A O no hydrogen 2.975 N/A ASP 35.A N SER 32.A OG no hydrogen 3.185 N/A ALA 36.A N SER 32.A O no hydrogen 3.022 N/A ALA 37.A N ALA 33.A O no hydrogen 2.966 N/A LEU 38.A N VAL 34.A O no hydrogen 2.936 N/A GLY 39.A N ASP 35.A O no hydrogen 2.882 N/A TRP 40.A N ALA 36.A O no hydrogen 3.052 N/A TRP 40.A NE1 TYR 229.A OH no hydrogen 3.076 N/A GLN 41.A N ALA 37.A O no hydrogen 3.131 N/A ARG 42.A N LEU 38.A O no hydrogen 2.921 N/A ASP 43.A N GLY 39.A O no hydrogen 3.123 N/A GLY 44.A N GLN 41.A O no hydrogen 2.924 N/A ALA 45.A N TRP 40.A O no hydrogen 3.049 N/A ILE 48.A N GLN 76.A O no hydrogen 2.897 N/A HIS 49.A N PRO 7.A O no hydrogen 2.952 N/A HIS 49.A ND1 GLU 78.A OE1 no hydrogen 2.629 N/A LEU 50.A N GLU 78.A O no hydrogen 2.761 N/A VAL 51.A N VAL 9.A O no hydrogen 2.863 N/A ASP 52.A N SER 80.A O no hydrogen 2.843 N/A LEU 53.A N VAL 11.A O no hydrogen 3.049 N/A ALA 55.A N ASP 52.A OD1 no hydrogen 3.067 N/A ALA 56.A N ASP 52.A O no hydrogen 2.975 N/A PHE 57.A N LEU 53.A O no hydrogen 2.884 N/A GLY 58.A N ALA 55.A O no hydrogen 3.008 N/A ARG 59.A N ASP 54.A O no hydrogen 2.942 N/A ARG 59.A NE ASP 54.A OD1 no hydrogen 2.891 N/A ARG 59.A NH2 ASP 54.A OD1 no hydrogen 3.213 N/A ASN 62.A N ASP 52.A OD2 no hydrogen 2.708 N/A ASN 62.A ND2 ASP 52.A OD1 no hydrogen 2.787 N/A ASN 62.A ND2 ASP 54.A OD2 no hydrogen 2.788 N/A HIS 63.A N SER 61.A OG no hydrogen 3.029 N/A HIS 63.A NE2 ALA 91.A O no hydrogen 3.177 N/A LEU 66.A N ASN 62.A O no hydrogen 2.958 N/A ALA 67.A N HIS 63.A O no hydrogen 2.837 N/A GLU 68.A N GLU 64.A O no hydrogen 3.152 N/A VAL 69.A N LEU 65.A O no hydrogen 2.960 N/A VAL 70.A N LEU 66.A O no hydrogen 2.968 N/A GLY 71.A N ALA 67.A O no hydrogen 2.975 N/A LYS 72.A N GLU 68.A O no hydrogen 2.892 N/A LYS 72.A NZ GLU 68.A OE2 no hydrogen 3.006 N/A LEU 73.A N VAL 69.A O no hydrogen 3.022 N/A ASP 74.A N GLN 41.A OE1 no hydrogen 2.647 N/A VAL 75.A N GLN 41.A OE1 no hydrogen 3.114 N/A GLN 76.A N GLU 46.A O no hydrogen 3.268 N/A GLU 78.A N ILE 48.A O no hydrogen 2.887 N/A LEU 79.A N ARG 99.A O no hydrogen 2.977 N/A SER 80.A N LEU 50.A O no hydrogen 2.929 N/A SER 80.A OG.A ASN 101.A O no hydrogen 3.560 N/A ARG 84.A N SER 88.A OG no hydrogen 3.043 N/A ARG 84.A NH2 ALA 56.A O no hydrogen 3.001 N/A ASP 85.A N SER 88.A OG no hydrogen 3.003 N/A SER 88.A N ASP 85.A OD1 no hydrogen 2.927 N/A SER 88.A OG ASP 85.A O no hydrogen 3.020 N/A SER 88.A OG ASP 85.A OD1 no hydrogen 2.652 N/A LEU 89.A N ASP 85.A O no hydrogen 2.866 N/A ALA 90.A N ASP 86.A O no hydrogen 3.025 N/A ALA 91.A N GLU 87.A O no hydrogen 2.912 N/A ALA 92.A N SER 88.A O no hydrogen 3.037 N/A LEU 93.A N LEU 89.A O no hydrogen 2.992 N/A ALA 94.A N ALA 90.A O no hydrogen 2.894 N/A THR 95.A N ALA 92.A O no hydrogen 3.237 N/A THR 95.A OG1 ALA 92.A O no hydrogen 2.666 N/A GLY 96.A N LEU 93.A O no hydrogen 2.911 N/A CYS 97.A N THR 95.A OG1 no hydrogen 3.195 N/A CYS 97.A SG ALA 92.A O no hydrogen 3.427 N/A CYS 97.A SG THR 95.A OG1 no hydrogen 3.656 N/A CYS 97.A SG ARG 99.A O no hydrogen 3.671 N/A ALA 98.A N VAL 77.A O no hydrogen 2.988 N/A ARG 99.A N VAL 77.A O no hydrogen 3.274 N/A ARG 99.A NE GLU 78.A OE2 no hydrogen 2.688 N/A ARG 99.A NH2 GLU 78.A OE2 no hydrogen 3.040 N/A VAL 100.A N GLN 123.A O no hydrogen 2.820 N/A ASN 101.A N LEU 79.A O no hydrogen 3.000 N/A VAL 102.A N ALA 125.A O no hydrogen 3.015 N/A ALA 106.A N GLY 103.A O no hydrogen 3.082 N/A LEU 107.A N THR 104.A O no hydrogen 2.953 N/A GLU 108.A N THR 104.A O no hydrogen 2.952 N/A ASN 109.A N ALA 105.A O no hydrogen 2.853 N/A TRP 112.A N ASN 109.A OD1 no hydrogen 3.211 N/A TRP 112.A NE1 ASP 86.A OD1 no hydrogen 2.839 N/A CYS 113.A N ASN 109.A O no hydrogen 3.042 N/A ALA 114.A N PRO 110.A O no hydrogen 2.878 N/A ARG 115.A N GLN 111.A O no hydrogen 3.206 N/A ARG 115.A NH1 ASP 86.A OD1 no hydrogen 2.757 N/A ARG 115.A NH1 ASP 86.A OD2 no hydrogen 3.533 N/A ARG 115.A NH2 ASP 86.A OD1 no hydrogen 3.330 N/A ARG 115.A NH2 ASP 86.A OD2 no hydrogen 2.746 N/A VAL 116.A N TRP 112.A O no hydrogen 2.873 N/A ILE 117.A N CYS 113.A O no hydrogen 2.844 N/A GLY 118.A N ALA 114.A O no hydrogen 2.929 N/A GLU 119.A N ARG 115.A O no hydrogen 3.036 N/A GLU 119.A N VAL 116.A O no hydrogen 3.305 N/A HIS 120.A N VAL 116.A O no hydrogen 2.824 N/A GLY 121.A N ILE 117.A O no hydrogen 2.975 N/A GLN 123.A N HIS 120.A O no hydrogen 3.130 N/A GLN 123.A NE2 ALA 98.A O no hydrogen 3.239 N/A VAL 124.A N GLY 121.A O no hydrogen 3.040 N/A ALA 125.A N VAL 100.A O no hydrogen 2.863 N/A VAL 126.A N ARG 165.A O no hydrogen 3.020 N/A GLY 127.A N VAL 102.A O no hydrogen 2.738 N/A LEU 128.A N VAL 167.A O no hydrogen 2.754 N/A VAL 130.A N THR 169.A O no hydrogen 2.774 N/A GLN 131.A N ARG 138.A O no hydrogen 2.717 N/A ILE 133.A N GLU 136.A O no hydrogen 3.102 N/A GLU 136.A N ILE 133.A O no hydrogen 3.048 N/A HIS 137.A ND1 GLY 135.A O no hydrogen 3.093 N/A ARG 138.A N GLN 131.A O no hydrogen 2.886 N/A ARG 138.A NE ASP 147.A OD1 no hydrogen 3.054 N/A ARG 138.A NH2 ASP 147.A OD2 no hydrogen 2.686 N/A LEU 139.A N GLY 149.A O no hydrogen 2.832 N/A ARG 140.A N ASP 129.A O no hydrogen 2.817 N/A ARG 140.A NE TRP 144.A O no hydrogen 2.868 N/A ARG 140.A NH2 TRP 144.A O no hydrogen 2.756 N/A GLY 141.A N THR 146.A O no hydrogen 3.050 N/A ARG 142.A N THR 104.A OG1 no hydrogen 2.747 N/A ARG 142.A NE GLU 108.A OE2 no hydrogen 2.885 N/A ARG 142.A NH2 GLU 108.A OE1 no hydrogen 2.969 N/A TRP 144.A NE1 ASP 129.A OD2 no hydrogen 2.663 N/A GLU 145.A N ARG 142.A O no hydrogen 3.361 N/A THR 146.A N GLY 141.A O no hydrogen 3.180 N/A GLY 148.A N LEU 139.A O no hydrogen 2.617 N/A GLY 149.A N ASP 147.A OD2 no hydrogen 3.352 N/A LEU 151.A N HIS 137.A O no hydrogen 2.926 N/A ASP 153.A N ASP 150.A OD2 no hydrogen 2.969 N/A VAL 154.A N ASP 150.A O no hydrogen 3.193 N/A LEU 155.A N LEU 151.A O no hydrogen 2.766 N/A GLU 156.A N TRP 152.A O no hydrogen 3.038 N/A ARG 157.A N ASP 153.A O no hydrogen 3.050 N/A ARG 157.A NE GLU 161.A OE2 no hydrogen 3.120 N/A ARG 157.A NH2 ALA 106.A O no hydrogen 3.154 N/A LEU 158.A N VAL 154.A O no hydrogen 2.915 N/A ASP 159.A N LEU 155.A O no hydrogen 2.906 N/A SER 160.A N GLU 156.A O no hydrogen 2.926 N/A SER 160.A OG GLU 156.A O no hydrogen 3.495 N/A SER 160.A OG ARG 157.A O no hydrogen 2.608 N/A GLU 161.A N ARG 157.A O no hydrogen 3.017 N/A GLY 162.A N ASP 159.A O no hydrogen 3.111 N/A CYS 163.A N LEU 158.A O no hydrogen 3.044 N/A CYS 163.A SG ARG 165.A O no hydrogen 3.412 N/A SER 164.A OG GLY 121.A O no hydrogen 3.402 N/A SER 164.A OG VAL 124.A O no hydrogen 2.666 N/A ARG 165.A NE GLU 220.A OE1 no hydrogen 2.826 N/A ARG 165.A NH1 ASP 122.A OD1 no hydrogen 3.046 N/A ARG 165.A NH2 GLU 220.A OE1 no hydrogen 3.295 N/A ARG 165.A NH2 GLU 220.A OE2 no hydrogen 3.192 N/A PHE 166.A N PRO 195.A O no hydrogen 3.038 N/A VAL 167.A N VAL 126.A O no hydrogen 2.947 N/A VAL 168.A N ILE 197.A O no hydrogen 2.807 N/A THR 169.A N LEU 128.A O no hydrogen 2.981 N/A ILE 171.A N VAL 130.A O no hydrogen 2.956 N/A THR 172.A N ASP 170.A OD1 no hydrogen 2.982 N/A LYS 173.A N ASP 170.A O no hydrogen 2.968 N/A LYS 173.A NZ GLY 178.A O no hydrogen 3.051 N/A LYS 173.A NZ GLY 179.A O no hydrogen 3.205 N/A ASP 174.A N ASP 170.A O no hydrogen 3.165 N/A THR 176.A N LYS 173.A O no hydrogen 3.127 N/A THR 176.A OG1 LYS 173.A O no hydrogen 2.586 N/A GLY 178.A N THR 176.A OG1 no hydrogen 2.980 N/A GLY 179.A N GLY 201.A O no hydrogen 2.747 N/A ASN 181.A ND2 ASP 170.A OD2 no hydrogen 2.820 N/A LEU 184.A N ASN 181.A OD1 no hydrogen 2.946 N/A LEU 185.A N ASN 181.A O no hydrogen 3.133 N/A ALA 186.A N LEU 182.A O no hydrogen 3.004 N/A GLY 187.A N ASP 183.A O no hydrogen 2.935 N/A VAL 188.A N LEU 184.A O no hydrogen 3.007 N/A ALA 189.A N LEU 185.A O no hydrogen 2.951 N/A ASP 190.A N ALA 186.A O no hydrogen 2.867 N/A ARG 191.A N VAL 188.A O no hydrogen 2.903 N/A ARG 191.A NH1 GLY 187.A O no hydrogen 2.823 N/A THR 192.A OG1 ASP 159.A OD1 no hydrogen 2.617 N/A ALA 194.A N THR 192.A OG1 no hydrogen 3.168 N/A VAL 196.A N GLY 218.A O no hydrogen 2.840 N/A ILE 197.A N PHE 166.A O no hydrogen 2.706 N/A ALA 198.A N GLY 221.A O no hydrogen 2.847 N/A SER 199.A N VAL 168.A O no hydrogen 2.931 N/A SER 203.A N ASP 207.A OD2 no hydrogen 2.775 N/A SER 203.A OG ASP 207.A OD2 no hydrogen 2.667 N/A ASP 207.A N SER 204.A OG no hydrogen 3.098 N/A LEU 208.A N SER 204.A O no hydrogen 3.414 N/A ARG 209.A N LEU 205.A O no hydrogen 2.945 N/A ARG 209.A NE ASP 244.A OD1 no hydrogen 2.914 N/A ARG 209.A NH1 ASP 206.A OD1 no hydrogen 2.826 N/A ARG 209.A NH2 ASP 244.A OD2 no hydrogen 2.974 N/A ALA 210.A N ASP 206.A O no hydrogen 2.841 N/A ILE 211.A N ASP 207.A O no hydrogen 3.014 N/A ALA 212.A N LEU 208.A O no hydrogen 2.915 N/A THR 213.A N ARG 209.A O no hydrogen 3.295 N/A THR 213.A N ALA 210.A O no hydrogen 3.288 N/A THR 213.A OG1 ALA 210.A O no hydrogen 2.644 N/A LEU 214.A N ILE 211.A O no hydrogen 2.828 N/A THR 215.A N ALA 212.A O no hydrogen 3.219 N/A THR 215.A OG1 ALA 212.A O no hydrogen 3.137 N/A THR 215.A OG1 VAL 219.A O no hydrogen 3.052 N/A ARG 217.A N LEU 214.A O no hydrogen 2.977 N/A ARG 217.A NE ASP 190.A OD1 no hydrogen 3.199 N/A ARG 217.A NH2 ASP 190.A OD1 no hydrogen 3.432 N/A ARG 217.A NH2 ASP 190.A OD2 no hydrogen 2.511 N/A GLY 218.A N THR 215.A O no hydrogen 3.052 N/A VAL 219.A N LEU 214.A O no hydrogen 3.150 N/A GLU 220.A N VAL 196.A O no hydrogen 2.842 N/A ALA 222.A N ILE 4.A O no hydrogen 2.820 N/A ILE 223.A N ALA 198.A O no hydrogen 2.717 N/A VAL 224.A N LEU 6.A O no hydrogen 3.072 N/A LYS 226.A NZ GLY 175.A O no hydrogen 2.775 N/A LEU 228.A N GLY 225.A O no hydrogen 3.021 N/A TYR 229.A N GLY 225.A O no hydrogen 3.326 N/A TYR 229.A OH ALA 8.A O no hydrogen 2.625 N/A ALA 230.A N LYS 226.A O no hydrogen 2.721 N/A ARG 231.A N LEU 228.A O no hydrogen 3.188 N/A ARG 232.A N ALA 227.A O no hydrogen 2.899 N/A ARG 232.A NH1 SER 203.A O no hydrogen 2.874 N/A THR 234.A N GLN 237.A OE1 no hydrogen 2.851 N/A GLN 237.A N THR 234.A OG1 no hydrogen 3.221 N/A ALA 238.A N THR 234.A O no hydrogen 3.066 N/A LEU 239.A N LEU 235.A O no hydrogen 2.776 N/A ALA 240.A N PRO 236.A O no hydrogen 2.987 N/A ALA 241.A N GLN 237.A O no hydrogen 2.886 N/A VAL 242.A N ALA 238.A O no hydrogen 3.237 N/A ARG 243.A N ALA 240.A O no hydrogen 3.129 N/A ASP 244.A N ALA 240.A O no hydrogen 3.233 N/A ASP 244.A N ALA 241.A O no hydrogen 3.284 N/A