Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1w2u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N LEU 37.A O no hydrogen 2.784 N/A ARG 2.A N LEU 37.A O no hydrogen 3.367 N/A ARG 2.A NH2 TYR 10.A O no hydrogen 3.525 N/A LEU 4.A N THR 35.A O no hydrogen 2.747 N/A TYR 8.A N ASN 20.A O no hydrogen 2.957 N/A GLY 9.A N GLU 6.A O no hydrogen 2.944 N/A TYR 10.A OH GLU 17.A OE1 no hydrogen 2.670 N/A TRP 11.A N LEU 18.A O no hydrogen 3.040 N/A GLY 13.A N TYR 16.A O no hydrogen 2.986 N/A TYR 16.A N GLY 13.A O no hydrogen 2.972 N/A TYR 16.A OH GLY 43.A O no hydrogen 3.069 N/A TYR 16.A OH ALA 220.A O no hydrogen 3.405 N/A GLU 17.A N GLY 67.A O no hydrogen 2.901 N/A LEU 18.A N TRP 11.A O no hydrogen 2.868 N/A LEU 19.A N TYR 65.A O no hydrogen 3.094 N/A ASN 20.A N GLY 9.A O no hydrogen 2.872 N/A ASN 20.A ND2 THR 35.A OG1 no hydrogen 2.750 N/A LEU 22.A N ASN 20.A O no hydrogen 3.018 N/A GLY 24.A N LYS 61.A O no hydrogen 2.901 N/A LYS 25.A N LEU 22.A O no hydrogen 3.239 N/A LYS 25.A NZ ASP 26.A OD1 no hydrogen 2.962 N/A THR 27.A N GLY 24.A O no hydrogen 3.116 N/A THR 27.A OG1 GLY 24.A O no hydrogen 2.763 N/A ALA 28.A N LYS 25.A O no hydrogen 3.034 N/A THR 29.A N GLN 54.A O no hydrogen 2.873 N/A SER 30.A OG GLN 54.A OE1 no hydrogen 3.064 N/A TRP 32.A N GLU 52.A O no hydrogen 3.047 N/A TRP 32.A NE1 CYS 5.A O no hydrogen 2.869 N/A GLN 33.A NE2 THR 49.A OG1 no hydrogen 2.881 N/A CYS 34.A N ALA 50.A O no hydrogen 3.017 N/A CYS 34.A SG THR 35.A O no hydrogen 3.773 N/A THR 35.A N LEU 4.A O no hydrogen 3.099 N/A TYR 36.A N SER 48.A O no hydrogen 2.779 N/A LEU 37.A N ARG 2.A O no hydrogen 2.974 N/A ASP 38.A N GLN 46.A O no hydrogen 2.828 N/A GLY 39.A N GLN 46.A O no hydrogen 3.027 N/A ASN 41.A N GLN 46.A OE1 no hydrogen 2.908 N/A GLY 44.A N ASN 41.A O no hydrogen 3.053 N/A ILE 45.A N PHE 218.A O no hydrogen 2.879 N/A GLN 46.A N GLY 39.A O no hydrogen 2.922 N/A GLN 46.A NE2 ASN 41.A O no hydrogen 3.186 N/A GLN 46.A NE2 ASP 217.A OD1 no hydrogen 2.949 N/A TRP 47.A N CYS 215.A O no hydrogen 3.100 N/A SER 48.A N TYR 36.A O no hydrogen 2.983 N/A SER 48.A OG.A ASP 38.A OD2 no hydrogen 2.986 N/A SER 48.A OG.B ASP 38.A OD2 no hydrogen 2.699 N/A THR 49.A N PHE 213.A O no hydrogen 2.867 N/A THR 49.A OG1 CYS 34.A O no hydrogen 2.802 N/A ALA 50.A N CYS 34.A O no hydrogen 3.087 N/A TRP 51.A N ALA 211.A O no hydrogen 2.986 N/A TRP 51.A NE1 TYR 90.A OH no hydrogen 2.930 N/A GLU 52.A N TRP 32.A O no hydrogen 3.086 N/A TRP 53.A N GLY 208.A O no hydrogen 2.991 N/A TRP 53.A NE1 GLN 33.A OE1 no hydrogen 2.907 N/A GLN 54.A N SER 30.A O no hydrogen 3.046 N/A ASN 59.A N ALA 56.A O no hydrogen 2.957 N/A LYS 61.A N CYS 205.A O no hydrogen 2.844 N/A LYS 61.A NZ GLY 55.A O no hydrogen 2.789 N/A LYS 61.A NZ ALA 56.A O no hydrogen 2.817 N/A LYS 61.A NZ ASN 59.A O no hydrogen 2.755 N/A LYS 61.A NZ PHE 206.A O no hydrogen 2.831 N/A SER 62.A OG GLN 33.A OE1 no hydrogen 2.590 N/A TYR 63.A N ASN 21.A O no hydrogen 2.967 N/A TYR 63.A OH ALA 100.A O no hydrogen 2.793 N/A TYR 65.A N LEU 19.A O no hydrogen 3.413 N/A VAL 66.A N VAL 201.A O no hydrogen 2.967 N/A GLY 67.A N GLU 17.A O no hydrogen 2.831 N/A LYS 68.A N TYR 199.A O no hydrogen 2.901 N/A LYS 68.A NZ GLY 15.A O no hydrogen 2.941 N/A LYS 68.A NZ GLN 69.A O no hydrogen 2.974 N/A GLN 69.A N GLY 15.A O no hydrogen 2.899 N/A ARG 72.A NH1 PRO 109.A O no hydrogen 2.899 N/A ARG 72.A NH1 HIS 111.A O no hydrogen 2.787 N/A ARG 72.A NH2 HIS 111.A O no hydrogen 3.319 N/A LYS 75.A NZ ASN 195.A OD1 no hydrogen 3.044 N/A ILE 76.A N GLN 194.A O no hydrogen 2.854 N/A SER 77.A N ALA 191.A O no hydrogen 3.157 N/A SER 77.A OG ALA 191.A O no hydrogen 3.420 N/A ASP 78.A N LYS 75.A O no hydrogen 2.860 N/A ILE 79.A N ILE 76.A O no hydrogen 3.127 N/A ASN 80.A N TRP 223.A OXT.A no hydrogen 2.921 N/A SER 81.A N TRP 223.A OXT.A no hydrogen 3.323 N/A SER 81.A N TRP 223.A OXT.B no hydrogen 2.793 N/A SER 81.A OG.A ASP 175.A OD2 no hydrogen 2.817 N/A MET 82.A N ASP 175.A OD1 no hydrogen 2.798 N/A THR 84.A N CYS 174.A O no hydrogen 2.944 N/A THR 84.A OG1 TYR 101.A OH no hydrogen 2.814 N/A THR 84.A OG1 ARG 219.A O no hydrogen 2.752 N/A SER 85.A N ARG 219.A O no hydrogen 3.022 N/A VAL 86.A N PHE 172.A O no hydrogen 2.858 N/A SER 87.A N ASP 217.A O no hydrogen 2.930 N/A SER 87.A OG ASP 171.A OD1 no hydrogen 2.699 N/A TRP 88.A N ARG 170.A O no hydrogen 2.873 N/A TRP 88.A NE1 ILE 169.A O no hydrogen 2.919 N/A THR 89.A N THR 214.A O no hydrogen 2.839 N/A TYR 90.A OH THR 203.A OG1 no hydrogen 2.674 N/A ASP 91.A N ARG 212.A O no hydrogen 3.103 N/A ARG 92.A NE ASP 94.A OD1 no hydrogen 2.805 N/A ARG 92.A NH1 PRO 210.A O no hydrogen 2.925 N/A ARG 92.A NH2 ASP 94.A OD1 no hydrogen 3.472 N/A ARG 92.A NH2 ASP 94.A OD2 no hydrogen 2.926 N/A ARG 96.A N THR 207.A O no hydrogen 2.949 N/A ARG 96.A NE PRO 57.A O no hydrogen 2.879 N/A ARG 96.A NH1 GLY 128.A O no hydrogen 2.928 N/A ARG 96.A NH2 PRO 57.A O no hydrogen 3.023 N/A ALA 97.A N TYR 127.A O no hydrogen 3.376 N/A ASN 98.A N GLU 204.A O no hydrogen 2.988 N/A ASN 98.A ND2 GLU 204.A OE1 no hydrogen 2.843 N/A ALA 100.A N GLY 202.A O no hydrogen 2.903 N/A TYR 101.A N ILE 122.A O no hydrogen 2.856 N/A TYR 101.A OH THR 84.A OG1 no hydrogen 2.814 N/A ASP 102.A N GLN 200.A O no hydrogen 2.878 N/A VAL 103.A N LEU 120.A O no hydrogen 2.911 N/A PHE 104.A N VAL 198.A O no hydrogen 3.405 N/A THR 105.A N TYR 118.A O no hydrogen 3.013 N/A THR 105.A OG1 TYR 189.A OH no hydrogen 2.745 N/A THR 105.A OG1 GLN 194.A OE1 no hydrogen 2.762 N/A ALA 106.A N ASN 195.A O no hydrogen 2.982 N/A ARG 107.A N ASP 117.A OD2 no hydrogen 2.862 N/A ASP 110.A N ASP 108.A OD1 no hydrogen 2.963 N/A HIS 111.A N ASP 108.A O no hydrogen 3.038 N/A HIS 111.A ND1 PRO 112.A O no hydrogen 2.774 N/A TYR 118.A N THR 105.A O no hydrogen 3.165 N/A GLU 119.A N ARG 158.A O no hydrogen 2.876 N/A LEU 120.A N VAL 103.A O no hydrogen 2.862 N/A MET 121.A N TYR 160.A O no hydrogen 2.834 N/A ILE 122.A N TYR 101.A O no hydrogen 3.110 N/A TRP 123.A N PHE 162.A O no hydrogen 2.865 N/A LEU 124.A N VAL 99.A O no hydrogen 2.761 N/A ARG 126.A NE ILE 130.A O no hydrogen 2.758 N/A ARG 126.A NH2 ILE 130.A O no hydrogen 3.106 N/A TYR 127.A N ALA 97.A O no hydrogen 2.891 N/A TYR 127.A OH ASP 168.A OD2 no hydrogen 2.613 N/A THR 135.A N THR 151.A O no hydrogen 2.974 N/A HIS 137.A N LEU 149.A O no hydrogen 2.758 N/A SER 138.A N LEU 149.A O no hydrogen 3.461 N/A SER 138.A OG HIS 137.A ND1 no hydrogen 3.068 N/A GLN 139.A NE2 ASP 148.A OD1 no hydrogen 2.848 N/A VAL 140.A N.A TRP 147.A O no hydrogen 2.974 N/A VAL 140.A N.B TRP 147.A O no hydrogen 2.997 N/A LEU 142.A N ARG 145.A O no hydrogen 3.064 N/A ARG 145.A N LEU 142.A O no hydrogen 3.001 N/A THR 146.A OG1 ASN 141.A OD1 no hydrogen 3.076 N/A TRP 147.A N VAL 140.A O.A no hydrogen 2.798 N/A TRP 147.A N VAL 140.A O.B no hydrogen 2.850 N/A TRP 147.A NE1 LEU 142.A O no hydrogen 2.870 N/A ASP 148.A N LEU 163.A O no hydrogen 2.867 N/A LEU 149.A N SER 138.A O no hydrogen 2.837 N/A TRP 150.A N SER 161.A O no hydrogen 2.826 N/A THR 151.A N THR 135.A O no hydrogen 2.961 N/A GLY 152.A N VAL 159.A O no hydrogen 3.119 N/A ASN 154.A N MET 157.A O no hydrogen 2.894 N/A MET 157.A N ASN 154.A O no hydrogen 3.093 N/A ARG 158.A N ASP 117.A O no hydrogen 3.159 N/A ARG 158.A NE.A TYR 160.A OH no hydrogen 3.302 N/A VAL 159.A N GLY 152.A O no hydrogen 2.856 N/A TYR 160.A N GLU 119.A O no hydrogen 2.854 N/A SER 161.A N TRP 150.A O no hydrogen 2.877 N/A PHE 162.A N MET 121.A O no hydrogen 2.888 N/A LEU 163.A N ASP 148.A O no hydrogen 2.854 N/A ILE 169.A N LEU 124.A O no hydrogen 2.797 N/A ARG 170.A NE ASP 168.A OD2 no hydrogen 2.953 N/A ARG 170.A NH1 TYR 90.A O no hydrogen 3.311 N/A ARG 170.A NH2 TYR 90.A O no hydrogen 3.444 N/A ARG 170.A NH2 TYR 127.A OH no hydrogen 3.059 N/A ARG 170.A NH2 ASP 168.A OD2 no hydrogen 3.557 N/A PHE 172.A N VAL 86.A O no hydrogen 2.953 N/A CYS 174.A N THR 84.A O no hydrogen 2.980 N/A ILE 176.A N MET 82.A O no hydrogen 2.898 N/A LYS 177.A N ASP 175.A OD1 no hydrogen 2.963 N/A LYS 177.A NZ ILE 76.A O no hydrogen 2.934 N/A LYS 177.A NZ ILE 79.A O no hydrogen 2.737 N/A LYS 177.A NZ ASN 181.A OD1 no hydrogen 3.437 N/A ASP 178.A N ASP 175.A O no hydrogen 2.895 N/A PHE 179.A N ILE 176.A O no hydrogen 2.962 N/A PHE 180.A N ILE 176.A O no hydrogen 3.101 N/A ASN 181.A N LYS 177.A O no hydrogen 2.795 N/A TYR 182.A N ASP 178.A O no hydrogen 3.112 N/A TYR 182.A OH HIS 187.A NE2 no hydrogen 2.880 N/A LEU 183.A N PHE 179.A O no hydrogen 3.059 N/A GLU 184.A N PHE 180.A O no hydrogen 2.824 N/A ARG 185.A N ASN 181.A O no hydrogen 2.981 N/A ASN 186.A N TYR 182.A O no hydrogen 2.956 N/A HIS 187.A N LEU 183.A O no hydrogen 2.926 N/A HIS 187.A NE2 TYR 182.A OH no hydrogen 2.880 N/A TYR 189.A N LEU 183.A O no hydrogen 3.140 N/A TYR 189.A OH THR 105.A OG1 no hydrogen 2.745 N/A ALA 191.A N TYR 189.A O no hydrogen 2.898 N/A GLU 193.A N PRO 190.A O no hydrogen 2.980 N/A GLN 194.A NE2 ASP 117.A OD2 no hydrogen 2.983 N/A ASN 195.A N ALA 106.A O no hydrogen 2.835 N/A ASN 195.A ND2 ALA 106.A O no hydrogen 3.217 N/A LEU 196.A N ARG 74.A O no hydrogen 2.952 N/A ILE 197.A N PHE 104.A O no hydrogen 2.881 N/A VAL 198.A N PHE 104.A O no hydrogen 3.446 N/A TYR 199.A OH ASP 221.A O no hydrogen 2.758 N/A GLN 200.A N ASP 102.A O no hydrogen 2.966 N/A VAL 201.A N VAL 66.A O no hydrogen 2.978 N/A GLY 202.A N ALA 100.A O no hydrogen 2.985 N/A THR 203.A N PRO 64.A O no hydrogen 3.278 N/A THR 203.A OG1 TYR 90.A OH no hydrogen 2.674 N/A THR 203.A OG1 ASN 98.A O no hydrogen 2.657 N/A GLU 204.A N ASN 98.A OD1 no hydrogen 2.942 N/A CYS 205.A N SER 62.A O no hydrogen 2.996 N/A CYS 205.A SG TYR 90.A OH no hydrogen 3.755 N/A CYS 205.A SG THR 203.A O no hydrogen 3.600 N/A CYS 205.A SG THR 203.A OG1 no hydrogen 3.704 N/A PHE 206.A N ARG 96.A O no hydrogen 2.892 N/A THR 207.A N ARG 96.A O no hydrogen 3.323 N/A GLY 208.A N TRP 53.A O no hydrogen 2.905 N/A ALA 211.A N TRP 51.A O no hydrogen 2.906 N/A ARG 212.A N ASP 91.A OD1 no hydrogen 2.837 N/A ARG 212.A NH2 SER 48.A OG.A no hydrogen 3.045 N/A PHE 213.A N THR 49.A O no hydrogen 2.904 N/A THR 214.A N THR 89.A O no hydrogen 2.852 N/A CYS 215.A N TRP 47.A O no hydrogen 2.730 N/A CYS 215.A SG SER 87.A O no hydrogen 3.926 N/A ASP 217.A N SER 87.A O no hydrogen 3.299 N/A PHE 218.A N ILE 45.A O no hydrogen 2.902 N/A ARG 219.A N SER 85.A O no hydrogen 3.006 N/A ALA 220.A N TYR 16.A OH no hydrogen 3.044 N/A ASP 221.A N ARG 83.A O no hydrogen 2.916 N/A TRP 223.A N.A SER 81.A O no hydrogen 3.017 N/A TRP 223.A N.B SER 81.A O no hydrogen 3.008 N/A