Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w01_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N PHE 115.A O no hydrogen 3.516 N/A ALA 1.A N VAL 118.A O no hydrogen 2.944 N/A GLY 2.A N GLU 116.A O no hydrogen 2.847 N/A MET 6.A N GLY 2.A O no hydrogen 2.952 N/A TYR 7.A N ALA 3.A O no hydrogen 2.934 N/A ASP 8.A N GLY 4.A O no hydrogen 3.075 N/A ILE 9.A N ALA 5.A O no hydrogen 2.911 N/A LYS 10.A N MET 6.A O no hydrogen 2.810 N/A LYS 10.A NZ GLU 186.A OE2 no hydrogen 2.297 N/A LYS 11.A N ASP 8.A O no hydrogen 3.054 N/A LYS 11.A NZ TYR 7.A OH no hydrogen 3.412 N/A TRP 12.A N ILE 9.A O no hydrogen 2.967 N/A ARG 13.A N ASP 38.A OD2 no hydrogen 2.755 N/A ARG 13.A NH1 ALA 205.A O no hydrogen 2.942 N/A ARG 13.A NH1 ALA 208.A O no hydrogen 3.219 N/A ARG 13.A NH1 ASP 209.A O no hydrogen 2.974 N/A ARG 13.A NH2 ALA 205.A O no hydrogen 2.919 N/A HIS 14.A N ASP 38.A OD2 no hydrogen 3.015 N/A HIS 14.A ND1 THR 37.A OG1 no hydrogen 2.777 N/A HIS 14.A NE2 THR 227.A OG1 no hydrogen 2.993 N/A ILE 15.A N ILE 211.A O no hydrogen 2.885 N/A PHE 16.A N ALA 39.A O no hydrogen 3.078 N/A LYS 17.A N VAL 213.A O no hydrogen 2.836 N/A LYS 17.A NZ GLU 70.A OE1 no hydrogen 2.749 N/A LYS 17.A NZ TYR 164.A OH no hydrogen 2.918 N/A LEU 18.A N MET 41.A O no hydrogen 2.814 N/A ASP 19.A N TYR 218.A OH no hydrogen 2.917 N/A ALA 21.A N ASP 19.A OD1 no hydrogen 2.877 N/A LYS 22.A N ASP 19.A O no hydrogen 2.921 N/A ASP 28.A N SER 25.A OG no hydrogen 3.164 N/A LEU 29.A N SER 25.A O no hydrogen 2.926 N/A ASP 30.A N ASP 26.A O no hydrogen 2.865 N/A ALA 31.A N ASP 27.A O no hydrogen 3.158 N/A ILE 32.A N ASP 28.A O no hydrogen 3.069 N/A CYS 33.A N LEU 29.A O no hydrogen 2.838 N/A CYS 33.A SG LEU 29.A O no hydrogen 3.481 N/A MET 34.A N ASP 30.A O no hydrogen 2.984 N/A SER 35.A N ILE 32.A O no hydrogen 3.209 N/A SER 35.A OG ILE 32.A O no hydrogen 2.701 N/A THR 37.A N SER 35.A OG no hydrogen 3.202 N/A THR 37.A OG1 HIS 14.A ND1 no hydrogen 2.777 N/A THR 37.A OG1 HIS 14.A O no hydrogen 3.119 N/A THR 37.A OG1 ALA 39.A O no hydrogen 3.310 N/A ASP 38.A N HIS 14.A O no hydrogen 2.868 N/A ILE 40.A N PRO 66.A O no hydrogen 2.936 N/A MET 41.A N PHE 16.A O no hydrogen 2.895 N/A ILE 42.A N VAL 68.A O no hydrogen 2.874 N/A GLY 43.A N LEU 18.A O no hydrogen 2.887 N/A THR 49.A N ASN 52.A OD1 no hydrogen 2.824 N/A ASN 52.A N THR 49.A OG1 no hydrogen 2.913 N/A ASN 52.A ND2 ASP 47.A O no hydrogen 2.861 N/A VAL 53.A N THR 49.A O no hydrogen 2.997 N/A ILE 54.A N GLU 50.A O no hydrogen 2.948 N/A HIS 55.A N ASP 51.A O no hydrogen 3.022 N/A LEU 56.A N ASN 52.A O no hydrogen 3.071 N/A MET 57.A N VAL 53.A O no hydrogen 2.864 N/A SER 58.A N ILE 54.A O no hydrogen 2.899 N/A SER 58.A OG HIS 55.A O no hydrogen 2.981 N/A LYS 59.A N LEU 56.A O no hydrogen 3.120 N/A LYS 59.A NZ ILE 24.A O no hydrogen 3.564 N/A ILE 60.A N LEU 56.A O no hydrogen 3.091 N/A ARG 61.A N MET 57.A O no hydrogen 2.896 N/A ARG 61.A NH1 ASP 82.A OD2 no hydrogen 3.078 N/A ARG 61.A NH2 GLY 80.A O no hydrogen 2.405 N/A ARG 61.A NH2 ASP 82.A OD1 no hydrogen 3.323 N/A ARG 61.A NH2 ASP 82.A OD2 no hydrogen 3.370 N/A TYR 63.A N ILE 60.A O no hydrogen 2.866 N/A TYR 63.A OH ASP 30.A OD1 no hydrogen 2.599 N/A LEU 67.A N ASP 82.A OD2 no hydrogen 2.879 N/A VAL 68.A N ILE 40.A O no hydrogen 2.828 N/A LEU 69.A N PHE 83.A O no hydrogen 3.127 N/A GLU 70.A N ILE 42.A O no hydrogen 2.907 N/A ILE 71.A N PHE 85.A O no hydrogen 2.813 N/A SER 72.A OG GLY 44.A O no hydrogen 3.480 N/A ASN 73.A ND2 VAL 48.A O no hydrogen 3.053 N/A GLU 75.A N GLU 75.A OE2 no hydrogen 2.802 N/A SER 76.A N ASN 73.A OD1 no hydrogen 3.025 N/A SER 76.A OG ASN 73.A OD1 no hydrogen 2.822 N/A VAL 77.A N ILE 74.A O no hydrogen 3.200 N/A PHE 81.A N TYR 84.A OH no hydrogen 3.054 N/A ASP 82.A N LEU 67.A O no hydrogen 2.804 N/A TYR 84.A N GLU 117.A O no hydrogen 2.876 N/A TYR 84.A OH MET 78.A O no hydrogen 2.623 N/A PHE 85.A N LEU 69.A O no hydrogen 2.827 N/A VAL 86.A N ILE 119.A O no hydrogen 2.859 N/A THR 88.A N GLU 121.A O no hydrogen 2.883 N/A THR 88.A OG1 HIS 98.A O no hydrogen 2.739 N/A VAL 89.A N PHE 97.A O no hydrogen 2.845 N/A LEU 90.A N TYR 123.A O no hydrogen 2.906 N/A ASN 91.A ND2 VAL 125.A O no hydrogen 2.863 N/A ASN 91.A ND2 ASN 139.A O no hydrogen 2.894 N/A SER 92.A N VAL 89.A O no hydrogen 3.012 N/A SER 92.A OG ASP 94.A O no hydrogen 3.251 N/A SER 92.A OG THR 136.A O no hydrogen 2.599 N/A THR 93.A N LYS 137.A O no hydrogen 3.019 N/A THR 93.A OG1 LYS 137.A O no hydrogen 3.288 N/A ASP 94.A N SER 92.A OG no hydrogen 3.009 N/A ALA 96.A N ASP 94.A OD1 no hydrogen 2.855 N/A PHE 97.A N ASP 94.A O no hydrogen 2.982 N/A HIS 98.A N VAL 95.A O no hydrogen 2.995 N/A HIS 98.A NE2 SER 92.A O no hydrogen 2.908 N/A ASN 99.A N VAL 95.A O no hydrogen 2.967 N/A GLY 100.A N VAL 95.A O no hydrogen 2.946 N/A THR 101.A N ALA 96.A O no hydrogen 3.032 N/A THR 101.A OG1 ALA 96.A O no hydrogen 3.227 N/A LEU 103.A N ASN 99.A O no hydrogen 2.883 N/A GLU 104.A N GLY 100.A O no hydrogen 3.349 N/A ALA 105.A N THR 101.A O no hydrogen 3.012 N/A LEU 106.A N LEU 102.A O no hydrogen 2.842 N/A LYS 107.A N LEU 103.A O no hydrogen 2.987 N/A THR 108.A N GLU 104.A O no hydrogen 3.172 N/A THR 108.A OG1 GLU 104.A O no hydrogen 3.071 N/A TYR 109.A N ALA 105.A O no hydrogen 2.952 N/A TYR 109.A OH ILE 74.A O no hydrogen 3.235 N/A GLY 110.A N LEU 106.A O no hydrogen 2.716 N/A SER 112.A N TYR 109.A O no hydrogen 3.017 N/A SER 112.A OG SER 112.A O no hydrogen 2.386 N/A GLU 116.A N ASP 114.A OD1 no hydrogen 2.959 N/A GLU 117.A N ASP 114.A O no hydrogen 3.090 N/A VAL 118.A N PHE 115.A O no hydrogen 3.196 N/A ILE 119.A N TYR 84.A O no hydrogen 2.766 N/A GLU 121.A N VAL 86.A O no hydrogen 2.895 N/A GLY 122.A N VAL 162.A O no hydrogen 2.840 N/A TYR 123.A N THR 88.A O no hydrogen 2.939 N/A VAL 124.A N TYR 164.A O no hydrogen 2.920 N/A VAL 125.A N ASN 91.A OD1 no hydrogen 3.003 N/A CYS 126.A N GLU 166.A O no hydrogen 2.710 N/A CYS 126.A SG VAL 124.A O no hydrogen 3.567 N/A ASN 127.A ND2 TYR 167.A O no hydrogen 3.663 N/A ASN 127.A ND2 SER 168.A O no hydrogen 2.953 N/A ASP 129.A N ASN 127.A OD1 no hydrogen 3.127 N/A SER 130.A OG ASN 127.A O no hydrogen 2.717 N/A LYS 131.A NZ ASP 46.A OD1 no hydrogen 3.118 N/A LYS 131.A NZ ASP 46.A OD2 no hydrogen 3.119 N/A ALA 133.A N SER 130.A OG no hydrogen 3.184 N/A LYS 134.A N SER 130.A O no hydrogen 3.068 N/A LYS 134.A NZ ALA 128.A O no hydrogen 3.322 N/A HIS 135.A N LYS 131.A O no hydrogen 2.744 N/A THR 136.A N VAL 132.A O no hydrogen 2.867 N/A THR 136.A OG1 VAL 132.A O no hydrogen 2.679 N/A LYS 137.A N LYS 134.A O no hydrogen 3.291 N/A LYS 137.A NZ ASP 94.A OD2 no hydrogen 2.661 N/A ALA 138.A N ALA 133.A O no hydrogen 3.122 N/A ASN 139.A N ASN 91.A O no hydrogen 2.825 N/A ASP 141.A N ASN 139.A OD1 no hydrogen 3.134 N/A LEU 142.A N THR 140.A O no hydrogen 2.739 N/A THR 143.A N ASP 146.A OD2 no hydrogen 2.942 N/A THR 143.A OG1 GLU 145.A OE1 no hydrogen 3.483 N/A GLU 145.A N GLU 145.A OE1 no hydrogen 2.799 N/A ASP 146.A N THR 143.A OG1 no hydrogen 3.091 N/A LEU 147.A N THR 143.A O no hydrogen 3.007 N/A GLU 148.A N THR 144.A O no hydrogen 2.834 N/A ALA 149.A N GLU 145.A O no hydrogen 2.948 N/A TYR 150.A N ASP 146.A O no hydrogen 2.911 N/A TYR 150.A OH LEU 90.A O no hydrogen 3.345 N/A ALA 151.A N LEU 147.A O no hydrogen 2.930 N/A GLN 152.A N GLU 148.A O no hydrogen 2.897 N/A MET 153.A N ALA 149.A O no hydrogen 3.006 N/A VAL 154.A N TYR 150.A O no hydrogen 2.967 N/A ASN 155.A N ALA 151.A O no hydrogen 2.851 N/A ASN 155.A ND2 HIS 156.A ND1 no hydrogen 3.104 N/A ASN 155.A ND2 THR 185.A OG1 no hydrogen 2.903 N/A HIS 156.A N GLN 152.A O no hydrogen 2.862 N/A MET 157.A N MET 153.A O no hydrogen 3.103 N/A TYR 158.A N MET 153.A O no hydrogen 2.870 N/A LEU 160.A N VAL 154.A O no hydrogen 3.112 N/A MET 163.A N GLN 188.A O no hydrogen 2.813 N/A TYR 164.A N GLY 122.A O no hydrogen 2.775 N/A ILE 165.A N PHE 190.A O no hydrogen 2.856 N/A GLU 166.A N VAL 124.A O no hydrogen 3.011 N/A TYR 167.A N GLY 192.A O no hydrogen 2.791 N/A SER 168.A N GLU 166.A OE1 no hydrogen 2.870 N/A ILE 170.A N TYR 167.A O no hydrogen 3.081 N/A TYR 171.A OH GLU 203.A OE1 no hydrogen 2.701 N/A GLY 172.A N TYR 191.A OH no hydrogen 2.885 N/A SER 175.A N ASP 173.A OD1 no hydrogen 2.883 N/A SER 175.A OG ASP 173.A OD1 no hydrogen 2.561 N/A LYS 176.A N ASP 173.A OD1 no hydrogen 3.314 N/A LYS 176.A NZ LEU 142.A O no hydrogen 3.298 N/A VAL 177.A N ASP 173.A O no hydrogen 3.139 N/A GLN 178.A N VAL 174.A O no hydrogen 2.884 N/A GLN 178.A NE2 GLU 182.A OE2 no hydrogen 2.988 N/A ALA 179.A N SER 175.A O no hydrogen 2.884 N/A VAL 180.A N LYS 176.A O no hydrogen 2.957 N/A SER 181.A N VAL 177.A O no hydrogen 3.044 N/A SER 181.A OG GLN 178.A O no hydrogen 2.714 N/A GLU 182.A N GLN 178.A O no hydrogen 3.209 N/A GLU 182.A N ALA 179.A O no hydrogen 3.230 N/A HIS 183.A N VAL 180.A O no hydrogen 3.011 N/A HIS 183.A NE2 GLU 148.A OE1 no hydrogen 3.054 N/A LEU 184.A N SER 181.A O no hydrogen 3.164 N/A THR 185.A N ASN 155.A OD1 no hydrogen 2.751 N/A GLU 186.A N THR 185.A OG1 no hydrogen 2.802 N/A THR 187.A N ASN 155.A OD1 no hydrogen 3.239 N/A THR 187.A OG1 ASN 155.A OD1 no hydrogen 3.340 N/A THR 187.A OG1 LEU 160.A O no hydrogen 2.657 N/A GLN 188.A N PRO 161.A O no hydrogen 2.832 N/A LEU 189.A N ASP 209.A OD2 no hydrogen 2.798 N/A PHE 190.A N MET 163.A O no hydrogen 2.795 N/A TYR 191.A N THR 210.A O no hydrogen 2.981 N/A TYR 191.A OH GLY 193.A O no hydrogen 2.571 N/A GLY 192.A N ILE 165.A O no hydrogen 2.983 N/A SER 196.A N GLN 200.A OE1 no hydrogen 2.762 N/A SER 196.A OG GLN 200.A OE1 no hydrogen 3.188 N/A GLN 200.A N SER 197.A OG no hydrogen 2.967 N/A ALA 201.A N SER 197.A O no hydrogen 2.969 N/A THR 202.A N GLU 198.A O no hydrogen 2.849 N/A THR 202.A OG1 GLU 198.A O no hydrogen 2.981 N/A GLU 203.A N GLN 199.A O no hydrogen 2.932 N/A MET 204.A N GLN 200.A O no hydrogen 3.035 N/A ALA 205.A N ALA 201.A O no hydrogen 2.844 N/A ALA 206.A N GLU 203.A O no hydrogen 3.379 N/A ILE 207.A N MET 204.A O no hydrogen 2.998 N/A ALA 208.A N MET 204.A O no hydrogen 2.769 N/A ASP 209.A N LEU 189.A O no hydrogen 2.849 N/A THR 210.A N LEU 189.A O no hydrogen 3.185 N/A THR 210.A OG1 TRP 12.A O no hydrogen 2.684 N/A ILE 211.A N ARG 13.A O no hydrogen 2.844 N/A ILE 212.A N TYR 191.A O no hydrogen 2.829 N/A VAL 213.A N ILE 15.A O no hydrogen 2.938 N/A ILE 217.A N GLY 214.A O no hydrogen 2.989 N/A TYR 218.A N ASP 215.A O no hydrogen 3.177 N/A LYS 219.A N ILE 216.A O no hydrogen 2.998 N/A ASP 220.A N ILE 216.A O no hydrogen 2.902 N/A LYS 223.A N ASP 220.A OD1 no hydrogen 3.043 N/A LYS 223.A NZ ASP 220.A OD2 no hydrogen 2.934 N/A ALA 224.A N ASP 220.A O no hydrogen 2.959 N/A LEU 225.A N ILE 221.A O no hydrogen 2.836 N/A LYS 226.A N LYS 222.A O no hydrogen 3.131 N/A THR 227.A N ALA 224.A O no hydrogen 3.112 N/A THR 227.A OG1 HIS 14.A NE2 no hydrogen 2.993 N/A THR 227.A OG1 ALA 224.A O no hydrogen 2.631 N/A VAL 228.A N LEU 225.A O no hydrogen 3.346 N/A LYS 229.A N LYS 226.A O no hydrogen 2.971 N/A ILE 230.A N VAL 228.A O no hydrogen 2.900 N/A