Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wsi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASP 240.A O no hydrogen 2.877 N/A MET 5.A N ILE 41.A O no hydrogen 3.010 N/A LYS 6.A N GLU 9.A OE1 no hydrogen 3.028 N/A LYS 6.A NZ GLU 40.A OE2 no hydrogen 3.047 N/A ALA 7.A N LYS 39.A O no hydrogen 3.030 N/A LYS 8.A N LEU 37.A O no hydrogen 2.936 N/A LYS 8.A NZ ASP 38.A OD1 no hydrogen 3.236 N/A GLU 9.A N LYS 6.A O no hydrogen 3.002 N/A ILE 10.A N LYS 6.A O no hydrogen 3.453 N/A ILE 11.A N ALA 7.A O no hydrogen 3.063 N/A GLU 12.A N LYS 8.A O no hydrogen 3.019 N/A PHE 13.A N GLU 9.A O no hydrogen 3.039 N/A ILE 14.A N ILE 10.A O no hydrogen 2.937 N/A GLU 15.A N ILE 11.A O no hydrogen 2.947 N/A THR 16.A N GLU 12.A O no hydrogen 3.041 N/A THR 16.A OG1 GLU 12.A O no hydrogen 2.859 N/A PHE 17.A N PHE 13.A O no hydrogen 3.283 N/A ALA 18.A N ILE 14.A O no hydrogen 2.721 N/A LEU 22.A N PRO 19.A O no hydrogen 3.129 N/A ALA 23.A N LYS 20.A O no hydrogen 2.983 N/A ILE 24.A N THR 103.A OG1 no hydrogen 2.972 N/A ASP 27.A N ILE 24.A O no hydrogen 3.176 N/A ASN 28.A ND2 LEU 73.A O no hydrogen 3.027 N/A ILE 29.A N ASP 27.A O no hydrogen 2.912 N/A GLY 30.A N SER 100.A O no hydrogen 2.830 N/A GLN 32.A N LEU 98.A O no hydrogen 2.703 N/A GLN 32.A NE2 ASN 28.A O no hydrogen 2.948 N/A GLN 32.A NE2 GLY 30.A O no hydrogen 3.043 N/A VAL 33.A N LEU 98.A O no hydrogen 3.007 N/A ASP 38.A N ASN 36.A OD1 no hydrogen 2.628 N/A ILE 41.A N MET 5.A O no hydrogen 2.605 N/A LYS 42.A N ASP 64.A OD2 no hydrogen 2.661 N/A LYS 43.A N ASP 64.A OD2 no hydrogen 3.073 N/A LYS 43.A NZ GLU 61.A O no hydrogen 2.734 N/A LEU 44.A N GLU 242.A O no hydrogen 2.948 N/A GLY 45.A N PHE 65.A O no hydrogen 2.781 N/A ILE 46.A N ILE 244.A O no hydrogen 2.857 N/A ALA 47.A N PHE 67.A O no hydrogen 2.843 N/A LEU 48.A N ASP 247.A OD1 no hydrogen 2.867 N/A ASP 49.A N ASP 247.A OD2 no hydrogen 2.965 N/A VAL 54.A N SER 51.A OG no hydrogen 3.152 N/A ILE 55.A N SER 51.A O no hydrogen 2.947 N/A LYS 56.A N LEU 52.A O no hydrogen 2.952 N/A LYS 57.A N SER 53.A O no hydrogen 2.951 N/A LYS 57.A NZ LEU 246.A O no hydrogen 3.016 N/A ALA 58.A N VAL 54.A O no hydrogen 2.785 N/A GLU 59.A N ILE 55.A O no hydrogen 2.932 N/A LYS 60.A N LYS 56.A O no hydrogen 2.960 N/A GLU 61.A N LYS 57.A O no hydrogen 2.922 N/A GLY 62.A N GLU 59.A O no hydrogen 3.295 N/A VAL 63.A N ALA 58.A O no hydrogen 2.890 N/A ASP 64.A N LYS 43.A O no hydrogen 2.813 N/A PHE 65.A N LYS 43.A O no hydrogen 3.253 N/A LEU 66.A N ILE 97.A O no hydrogen 2.799 N/A PHE 67.A N GLY 45.A O no hydrogen 2.708 N/A THR 68.A N TYR 99.A O no hydrogen 2.968 N/A THR 68.A OG1 HIS 70.A O no hydrogen 2.732 N/A THR 68.A OG1 SER 100.A OG no hydrogen 3.139 N/A HIS 69.A N ALA 47.A O no hydrogen 3.140 N/A HIS 69.A ND1 ALA 101.A O no hydrogen 2.921 N/A HIS 70.A N LEU 48.A O no hydrogen 3.111 N/A HIS 70.A ND1 ASP 49.A OD1 no hydrogen 2.602 N/A LEU 72.A N GLN 32.A OE1 no hydrogen 2.996 N/A TYR 85.A N THR 81.A O no hydrogen 3.225 N/A LYS 86.A N GLY 82.A O no hydrogen 3.011 N/A LYS 87.A N VAL 83.A O no hydrogen 2.940 N/A LEU 88.A N ILE 84.A O no hydrogen 3.004 N/A LYS 89.A N TYR 85.A O no hydrogen 2.966 N/A LYS 89.A NZ GLU 93.A OE1 no hydrogen 3.024 N/A ILE 90.A N LYS 86.A O no hydrogen 3.223 N/A LEU 91.A N LYS 87.A O no hydrogen 3.115 N/A MET 92.A N LEU 88.A O no hydrogen 2.700 N/A GLU 93.A N LYS 89.A O no hydrogen 3.006 N/A ASN 94.A N ILE 90.A O no hydrogen 3.303 N/A ASN 94.A ND2 ILE 90.A O no hydrogen 2.816 N/A ASP 95.A N MET 92.A O no hydrogen 3.096 N/A ILE 96.A N LEU 91.A O no hydrogen 2.782 N/A ILE 97.A N ASP 64.A O no hydrogen 3.216 N/A LEU 98.A N VAL 33.A O no hydrogen 2.750 N/A TYR 99.A N LEU 66.A O no hydrogen 3.097 N/A TYR 99.A OH GLU 15.A OE2 no hydrogen 2.536 N/A SER 100.A N GLY 30.A O no hydrogen 2.870 N/A SER 100.A OG THR 68.A O no hydrogen 3.353 N/A SER 100.A OG THR 68.A OG1 no hydrogen 3.139 N/A SER 100.A OG HIS 70.A O no hydrogen 3.553 N/A HIS 102.A ND1 ASP 27.A OD1 no hydrogen 2.683 N/A THR 103.A N ASP 27.A OD2 no hydrogen 2.860 N/A THR 103.A OG1 ASP 27.A OD2 no hydrogen 2.620 N/A ASN 104.A ND2 ALA 18.A O no hydrogen 2.992 N/A LEU 105.A N HIS 102.A O no hydrogen 2.892 N/A ASP 106.A N HIS 102.A O no hydrogen 3.082 N/A ILE 107.A N THR 103.A O no hydrogen 2.965 N/A CYS 108.A N ASN 104.A O no hydrogen 3.218 N/A CYS 108.A SG PHE 17.A O no hydrogen 3.609 N/A CYS 108.A SG LEU 105.A O no hydrogen 3.819 N/A CYS 108.A SG LYS 109.A O no hydrogen 3.866 N/A ASN 110.A N ASP 114.A OD2 no hydrogen 3.027 N/A GLY 111.A N CYS 108.A O no hydrogen 3.016 N/A LEU 112.A N LEU 105.A O no hydrogen 2.975 N/A ASN 113.A N ASP 106.A O no hydrogen 3.348 N/A ASN 113.A ND2 ASP 106.A O no hydrogen 3.089 N/A ALA 115.A N GLY 111.A O no hydrogen 2.885 N/A LEU 116.A N LEU 112.A O no hydrogen 3.388 N/A ALA 117.A N ASN 113.A O no hydrogen 2.985 N/A GLU 118.A N ASP 114.A O no hydrogen 2.801 N/A LEU 119.A N ALA 115.A O no hydrogen 3.058 N/A TYR 120.A N LEU 116.A O no hydrogen 3.093 N/A TYR 120.A OH THR 150.A OG1 no hydrogen 2.548 N/A ASN 121.A N GLU 118.A O no hydrogen 2.977 N/A LEU 122.A N ALA 117.A O no hydrogen 3.040 N/A GLU 123.A N ILE 138.A O no hydrogen 2.972 N/A LYS 126.A N VAL 136.A O no hydrogen 2.836 N/A LYS 126.A NZ ASN 124.A OD1 no hydrogen 3.409 N/A LEU 128.A N GLY 134.A O no hydrogen 3.004 N/A TYR 129.A N LEU 133.A O no hydrogen 2.969 N/A GLY 132.A N TYR 129.A O no hydrogen 2.925 N/A LEU 133.A N ASN 131.A OD1 no hydrogen 3.035 N/A ARG 135.A N VAL 174.A O no hydrogen 3.054 N/A ARG 135.A NE ASP 114.A OD1 no hydrogen 2.864 N/A ARG 135.A NH1 GLY 132.A O no hydrogen 2.930 N/A ARG 135.A NH1 GLY 134.A O no hydrogen 2.690 N/A ARG 135.A NH2 ILE 107.A O no hydrogen 2.875 N/A VAL 136.A N LYS 126.A O no hydrogen 2.749 N/A GLY 137.A N LEU 172.A O no hydrogen 3.157 N/A ILE 138.A N GLU 123.A O no hydrogen 3.450 N/A PHE 139.A N PHE 170.A O no hydrogen 2.829 N/A GLY 141.A N PHE 139.A O no hydrogen 2.875 N/A SER 142.A N GLU 145.A OE1 no hydrogen 3.029 N/A GLU 145.A N SER 142.A OG no hydrogen 3.162 N/A PHE 146.A N SER 142.A O no hydrogen 3.250 N/A LEU 147.A N PHE 143.A O no hydrogen 2.852 N/A GLU 148.A N GLU 144.A O no hydrogen 2.922 N/A ILE 149.A N GLU 145.A O no hydrogen 2.951 N/A THR 150.A N PHE 146.A O no hydrogen 2.982 N/A THR 150.A OG1 TYR 120.A OH no hydrogen 2.548 N/A THR 150.A OG1 PHE 146.A O no hydrogen 2.819 N/A LYS 151.A N LEU 147.A O no hydrogen 2.880 N/A LYS 152.A N GLU 148.A O no hydrogen 2.883 N/A LYS 152.A NZ TYR 153.A OH no hydrogen 3.480 N/A TYR 153.A N ILE 149.A O no hydrogen 2.981 N/A ILE 154.A N THR 150.A O no hydrogen 2.978 N/A HIS 155.A N THR 150.A O no hydrogen 3.033 N/A ILE 159.A N ASP 217.A O no hydrogen 3.025 N/A VAL 161.A N VAL 215.A O no hydrogen 2.781 N/A SER 163.A N VAL 161.A O no hydrogen 2.881 N/A SER 163.A OG VAL 161.A O no hydrogen 3.302 N/A SER 163.A OG ALA 208.A O no hydrogen 3.349 N/A SER 163.A OG LEU 213.A O no hydrogen 2.745 N/A LYS 164.A NZ ASP 193.A OD1 no hydrogen 3.030 N/A ASN 169.A N GLY 141.A O no hydrogen 2.894 N/A LYS 171.A N ASP 193.A OD2 no hydrogen 2.866 N/A LEU 172.A N GLY 137.A O no hydrogen 2.743 N/A ALA 173.A N VAL 194.A O no hydrogen 2.871 N/A VAL 174.A N ARG 135.A O no hydrogen 2.923 N/A LEU 175.A N LEU 196.A O no hydrogen 3.012 N/A SER 176.A N ASN 113.A OD1 no hydrogen 2.924 N/A SER 176.A OG ASP 106.A OD1 no hydrogen 3.548 N/A SER 176.A OG ASN 113.A OD1 no hydrogen 3.328 N/A GLY 177.A N THR 223.A OG1 no hydrogen 2.991 N/A SER 181.A OG SER 183.A OG no hydrogen 3.285 N/A SER 181.A OG SER 184.A OG no hydrogen 2.981 N/A SER 183.A OG SER 181.A OG no hydrogen 3.285 N/A SER 184.A N SER 181.A OG no hydrogen 3.304 N/A SER 184.A OG TYR 129.A OH no hydrogen 3.119 N/A SER 184.A OG SER 181.A OG no hydrogen 2.981 N/A ILE 185.A N SER 181.A O no hydrogen 2.938 N/A LYS 186.A N GLN 182.A O no hydrogen 3.177 N/A TYR 187.A N SER 183.A O no hydrogen 3.095 N/A TYR 187.A OH LEU 128.A O no hydrogen 2.927 N/A VAL 188.A N SER 184.A O no hydrogen 2.829 N/A ALA 189.A N ILE 185.A O no hydrogen 2.788 N/A GLU 190.A N TYR 187.A O no hydrogen 3.247 N/A LYS 191.A N VAL 188.A O no hydrogen 2.748 N/A ALA 192.A N VAL 188.A O no hydrogen 2.957 N/A ASP 193.A N LYS 171.A O no hydrogen 2.885 N/A VAL 194.A N LYS 171.A O no hydrogen 3.130 N/A TYR 195.A N VAL 214.A O no hydrogen 2.777 N/A TYR 195.A OH GLY 179.A O no hydrogen 2.673 N/A LEU 196.A N ALA 173.A O no hydrogen 2.761 N/A SER 197.A N VAL 216.A O no hydrogen 2.956 N/A SER 197.A OG LEU 175.A O no hydrogen 2.608 N/A SER 197.A OG GLY 177.A O no hydrogen 3.526 N/A ASP 199.A N ASP 217.A OD1 no hydrogen 3.178 N/A LEU 200.A N ASP 217.A OD2 no hydrogen 2.851 N/A SER 204.A OG LEU 180.A O no hydrogen 2.729 N/A LYS 205.A N THR 201.A O no hydrogen 3.120 N/A LYS 205.A NZ GLU 209.A OE1 no hydrogen 3.522 N/A LYS 205.A NZ GLU 209.A OE2 no hydrogen 2.832 N/A ILE 206.A N HIS 202.A O no hydrogen 3.171 N/A LEU 207.A N HIS 203.A O no hydrogen 3.096 N/A ALA 208.A N SER 204.A O no hydrogen 2.968 N/A GLU 209.A N LYS 205.A O no hydrogen 2.939 N/A GLU 210.A N ILE 206.A O no hydrogen 2.971 N/A LEU 211.A N LEU 207.A O no hydrogen 3.018 N/A LEU 213.A N ALA 208.A O no hydrogen 3.019 N/A VAL 214.A N ASP 193.A O no hydrogen 3.094 N/A VAL 215.A N VAL 161.A O no hydrogen 3.283 N/A VAL 216.A N TYR 195.A O no hydrogen 2.782 N/A ASP 217.A N ILE 159.A O no hydrogen 2.894 N/A ALA 218.A N SER 197.A O no hydrogen 3.010 N/A THR 219.A N ASP 217.A OD1 no hydrogen 2.759 N/A THR 219.A OG1 ALA 218.A O no hydrogen 2.504 N/A THR 219.A OG1 SER 222.A OG no hydrogen 2.956 N/A HIS 220.A ND1 ASP 199.A OD2 no hydrogen 2.611 N/A TYR 221.A OH ASP 247.A O no hydrogen 2.602 N/A SER 222.A N THR 219.A OG1 no hydrogen 3.045 N/A SER 222.A OG THR 219.A OG1 no hydrogen 2.956 N/A THR 223.A N THR 219.A O no hydrogen 3.164 N/A THR 223.A OG1 THR 219.A O no hydrogen 2.908 N/A THR 223.A OG1 HIS 220.A O no hydrogen 3.247 N/A GLU 224.A N TYR 221.A O no hydrogen 3.281 N/A VAL 225.A N TYR 221.A O no hydrogen 2.910 N/A PHE 226.A N SER 222.A O no hydrogen 3.138 N/A LEU 228.A N GLU 224.A O no hydrogen 2.951 N/A LYS 229.A N VAL 225.A O no hydrogen 2.885 N/A PHE 231.A N GLY 227.A O no hydrogen 3.007 N/A LYS 232.A N LEU 228.A O no hydrogen 2.949 N/A GLU 233.A N LYS 229.A O no hydrogen 2.910 N/A PHE 234.A N LYS 230.A O no hydrogen 2.905 N/A LEU 235.A N PHE 231.A O no hydrogen 2.922 N/A SER 236.A N LYS 232.A O no hydrogen 2.851 N/A SER 236.A OG LYS 232.A O no hydrogen 3.110 N/A SER 237.A N GLU 233.A O no hydrogen 2.993 N/A SER 237.A OG GLU 233.A O no hydrogen 2.991 N/A ASN 238.A N LEU 235.A O no hydrogen 3.106 N/A ASN 238.A ND2 PHE 234.A O no hydrogen 2.664 N/A LEU 239.A N LEU 235.A O no hydrogen 2.874 N/A ILE 244.A N LEU 44.A O no hydrogen 2.982 N/A SER 245.A OG PHE 248.A OXT no hydrogen 2.480 N/A LEU 246.A N ILE 46.A O no hydrogen 2.927 N/A