Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xio_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ASN 2.A OD1 no hydrogen 2.735 N/A SER 5.A OG ALA 55.A O no hydrogen 3.132 N/A LEU 6.A N ASN 2.A O no hydrogen 3.152 N/A LEU 7.A N LEU 3.A O no hydrogen 2.834 N/A HIS 8.A N GLU 4.A O no hydrogen 2.937 N/A TRP 9.A N SER 5.A O no hydrogen 2.895 N/A ILE 10.A N LEU 6.A O no hydrogen 2.980 N/A TYR 11.A N LEU 7.A O no hydrogen 2.952 N/A TYR 11.A OH SER 47.A OG no hydrogen 2.622 N/A VAL 12.A N HIS 8.A O no hydrogen 2.879 N/A ALA 13.A N TRP 9.A O no hydrogen 2.971 N/A GLY 14.A N ILE 10.A O no hydrogen 2.917 N/A MET 15.A N TYR 11.A O no hydrogen 2.897 N/A THR 16.A N VAL 12.A O no hydrogen 2.991 N/A THR 16.A OG1 VAL 12.A O no hydrogen 2.820 N/A ILE 17.A N ALA 13.A O no hydrogen 2.989 N/A GLY 18.A N GLY 14.A O no hydrogen 2.958 N/A ALA 19.A N MET 15.A O no hydrogen 2.783 N/A LEU 20.A N THR 16.A O no hydrogen 2.937 N/A HIS 21.A N ILE 17.A O no hydrogen 2.954 N/A HIS 21.A NE2 HIS 210.A NE2 no hydrogen 2.792 N/A PHE 22.A N GLY 18.A O no hydrogen 3.029 N/A TRP 23.A N ALA 19.A O no hydrogen 2.952 N/A SER 24.A N LEU 20.A O no hydrogen 2.948 N/A LEU 25.A N HIS 21.A O no hydrogen 2.919 N/A SER 26.A N PHE 22.A O no hydrogen 2.982 N/A SER 26.A OG TRP 23.A O no hydrogen 2.498 N/A ARG 27.A N SER 24.A O no hydrogen 3.147 N/A ASN 28.A N LEU 25.A O no hydrogen 3.008 N/A ARG 30.A NH1 ASP 217.A OD1 no hydrogen 3.440 N/A ARG 30.A NH2 ASP 217.A OD1 no hydrogen 2.808 N/A VAL 32.A N PRO 29.A O no hydrogen 3.195 N/A GLN 34.A NE2 SER 26.A O no hydrogen 2.991 N/A GLU 36.A N PRO 33.A O no hydrogen 3.196 N/A TYR 37.A OH PRO 29.A O no hydrogen 2.790 N/A LEU 38.A N GLN 34.A O no hydrogen 2.798 N/A VAL 39.A N TYR 35.A O no hydrogen 3.161 N/A ALA 40.A N GLU 36.A O no hydrogen 3.116 N/A MET 41.A N TYR 37.A O no hydrogen 2.918 N/A PHE 42.A N LEU 38.A O no hydrogen 2.891 N/A ILE 43.A N VAL 39.A O no hydrogen 3.114 N/A ILE 45.A N MET 41.A O no hydrogen 3.412 N/A TRP 46.A N PHE 42.A O no hydrogen 2.854 N/A TRP 46.A NE1 ILE 65.A O no hydrogen 3.085 N/A SER 47.A N ILE 43.A O no hydrogen 2.975 N/A SER 47.A OG TYR 11.A OH no hydrogen 2.622 N/A SER 47.A OG ASP 66.A OD2 no hydrogen 2.722 N/A GLY 48.A N PRO 44.A O no hydrogen 2.753 N/A LEU 49.A N ILE 45.A O no hydrogen 2.944 N/A ALA 50.A N TRP 46.A O no hydrogen 3.066 N/A TYR 51.A N SER 47.A O no hydrogen 2.923 N/A TYR 51.A OH PHE 193.A O no hydrogen 2.661 N/A MET 52.A N GLY 48.A O no hydrogen 2.825 N/A ALA 53.A N LEU 49.A O no hydrogen 3.032 N/A MET 54.A N ALA 50.A O no hydrogen 3.261 N/A ALA 55.A N TYR 51.A O no hydrogen 2.796 N/A ILE 56.A N MET 52.A O no hydrogen 3.008 N/A ASP 57.A N ALA 53.A O no hydrogen 3.130 N/A HIS 60.A NE2 GLU 4.A OE2 no hydrogen 2.762 N/A ARG 63.A N HIS 60.A O no hydrogen 3.120 N/A TYR 64.A N TYR 61.A O no hydrogen 2.912 N/A TYR 64.A OH ASP 111.A OD2 no hydrogen 2.610 N/A ASP 66.A N ALA 62.A O no hydrogen 2.929 N/A TRP 67.A N ARG 63.A O no hydrogen 3.144 N/A MET 68.A N TYR 64.A O no hydrogen 2.935 N/A VAL 69.A N ASP 66.A O no hydrogen 3.038 N/A THR 70.A N ASP 66.A O no hydrogen 2.913 N/A THR 70.A OG1 ASP 66.A O no hydrogen 2.904 N/A THR 70.A OG1 ASP 66.A OD1 no hydrogen 2.689 N/A THR 71.A N TRP 67.A O no hydrogen 3.131 N/A THR 71.A OG1 TRP 67.A O no hydrogen 2.589 N/A THR 71.A OG1 GLN 100.A OE1 no hydrogen 3.399 N/A LEU 73.A N VAL 69.A O no hydrogen 3.274 N/A LEU 74.A N THR 70.A O no hydrogen 2.843 N/A LEU 75.A N THR 71.A O no hydrogen 3.122 N/A LEU 76.A N PRO 72.A O no hydrogen 2.894 N/A SER 77.A N LEU 73.A O no hydrogen 2.873 N/A LEU 78.A N LEU 74.A O no hydrogen 2.883 N/A SER 79.A N LEU 75.A O no hydrogen 2.786 N/A SER 79.A OG LEU 75.A O no hydrogen 2.735 N/A TRP 80.A N LEU 76.A O no hydrogen 2.952 N/A THR 81.A N SER 77.A O no hydrogen 3.209 N/A THR 81.A OG1 SER 77.A O no hydrogen 3.198 N/A THR 81.A OG1 ASP 208.A OD1 no hydrogen 2.613 N/A THR 81.A OG1 ASP 208.A OD2 no hydrogen 3.443 N/A ALA 82.A N LEU 78.A O no hydrogen 3.108 N/A MET 83.A N SER 79.A O no hydrogen 3.064 N/A MET 83.A N TRP 80.A O no hydrogen 3.207 N/A GLN 84.A N THR 81.A O no hydrogen 3.032 N/A GLN 84.A NE2 GLU 36.A OE1 no hydrogen 2.919 N/A PHE 85.A N GLN 148.A OE1 no hydrogen 2.889 N/A ILE 86.A N MET 83.A O no hydrogen 3.147 N/A LYS 88.A NZ MET 83.A O no hydrogen 2.648 N/A LYS 88.A NZ GLN 84.A O no hydrogen 3.296 N/A LYS 88.A NZ ILE 86.A O no hydrogen 2.999 N/A THR 91.A OG1 ASP 89.A OD1 no hydrogen 2.687 N/A LEU 92.A N ASP 89.A OD1 no hydrogen 3.164 N/A ILE 93.A N ASP 89.A O no hydrogen 3.160 N/A GLY 94.A N TRP 90.A O no hydrogen 2.910 N/A PHE 95.A N THR 91.A O no hydrogen 2.990 N/A LEU 96.A N LEU 92.A O no hydrogen 3.048 N/A MET 97.A N ILE 93.A O no hydrogen 2.922 N/A SER 98.A N GLY 94.A O no hydrogen 2.856 N/A SER 98.A OG GLY 94.A O no hydrogen 3.356 N/A THR 99.A N PHE 95.A O no hydrogen 2.913 N/A THR 99.A OG1 PHE 95.A O no hydrogen 2.789 N/A GLN 100.A N LEU 96.A O no hydrogen 2.956 N/A ILE 101.A N MET 97.A O no hydrogen 3.107 N/A VAL 102.A N SER 98.A O no hydrogen 3.114 N/A VAL 103.A N THR 99.A O no hydrogen 3.231 N/A ILE 104.A N GLN 100.A O no hydrogen 3.184 N/A THR 105.A N ILE 101.A O no hydrogen 2.872 N/A THR 105.A OG1 ILE 101.A O no hydrogen 3.214 N/A THR 105.A OG1 VAL 102.A O no hydrogen 3.167 N/A SER 106.A N VAL 102.A O no hydrogen 2.900 N/A SER 106.A OG VAL 102.A O no hydrogen 2.770 N/A GLY 107.A N VAL 103.A O no hydrogen 2.993 N/A LEU 108.A N ILE 104.A O no hydrogen 2.929 N/A ILE 109.A N THR 105.A O no hydrogen 2.992 N/A ALA 110.A N SER 106.A O no hydrogen 3.016 N/A ASP 111.A N GLY 107.A O no hydrogen 3.008 N/A LEU 112.A N LEU 108.A O no hydrogen 2.816 N/A SER 113.A N ALA 110.A O no hydrogen 3.134 N/A SER 113.A OG ILE 109.A O no hydrogen 2.675 N/A ARG 119.A N ARG 115.A O no hydrogen 2.826 N/A ARG 119.A NH1 ASP 111.A OD1 no hydrogen 3.008 N/A ARG 119.A NH1 SER 179.A O no hydrogen 3.060 N/A ARG 119.A NH2 ASP 111.A O no hydrogen 3.029 N/A ARG 119.A NH2 SER 113.A O no hydrogen 3.102 N/A TYR 120.A N ASP 116.A O no hydrogen 2.943 N/A LEU 121.A N TRP 117.A O no hydrogen 3.101 N/A TRP 122.A N VAL 118.A O no hydrogen 3.093 N/A TYR 123.A N ARG 119.A O no hydrogen 3.050 N/A TYR 123.A OH PRO 171.A O no hydrogen 2.759 N/A ILE 124.A N TYR 120.A O no hydrogen 2.886 N/A CYS 125.A N LEU 121.A O no hydrogen 2.842 N/A CYS 125.A SG SER 106.A OG no hydrogen 3.636 N/A GLY 126.A N TRP 122.A O no hydrogen 2.906 N/A VAL 127.A N TYR 123.A O no hydrogen 2.937 N/A CYS 128.A N ILE 124.A O no hydrogen 2.937 N/A CYS 128.A SG ILE 124.A O no hydrogen 3.307 N/A ALA 129.A N CYS 125.A O no hydrogen 3.045 N/A PHE 130.A N GLY 126.A O no hydrogen 2.808 N/A LEU 131.A N VAL 127.A O no hydrogen 2.776 N/A ILE 132.A N CYS 128.A O no hydrogen 3.090 N/A ILE 133.A N ALA 129.A O no hydrogen 3.055 N/A LEU 134.A N PHE 130.A O no hydrogen 2.905 N/A TRP 135.A N LEU 131.A O no hydrogen 2.875 N/A GLY 136.A N ILE 132.A O no hydrogen 2.885 N/A ILE 137.A N ILE 133.A O no hydrogen 3.020 N/A TRP 138.A N LEU 134.A O no hydrogen 3.127 N/A TRP 138.A N TRP 135.A O no hydrogen 3.272 N/A TRP 138.A NE1 THR 164.A OG1 no hydrogen 2.824 N/A ASN 139.A ND2 TRP 135.A O no hydrogen 2.885 N/A LEU 141.A N GLY 136.A O no hydrogen 3.031 N/A ARG 142.A NE ASP 157.A OD1 no hydrogen 2.907 N/A ARG 142.A NH2 ASP 157.A OD2 no hydrogen 2.979 N/A ALA 143.A N ASN 139.A O no hydrogen 2.746 N/A LYS 144.A N LEU 141.A O no hydrogen 3.171 N/A LYS 144.A NZ ASP 89.A OD2 no hydrogen 3.142 N/A THR 145.A N ARG 142.A O no hydrogen 3.126 N/A THR 145.A OG1 ARG 142.A O no hydrogen 2.659 N/A ARG 146.A N ALA 143.A O no hydrogen 3.060 N/A ARG 146.A NH1 THR 145.A OG1 no hydrogen 2.969 N/A ARG 146.A NH1 ASP 157.A OD1 no hydrogen 3.124 N/A ARG 146.A NH2 ASP 157.A OD2 no hydrogen 2.829 N/A THR 147.A N LYS 144.A O no hydrogen 3.180 N/A THR 147.A OG1 LYS 144.A O no hydrogen 2.642 N/A GLN 148.A N THR 145.A O no hydrogen 2.833 N/A GLN 148.A NE2 ALA 82.A O no hydrogen 2.811 N/A GLN 148.A NE2 LYS 144.A O no hydrogen 3.076 N/A LEU 152.A N SER 149.A OG no hydrogen 3.127 N/A ALA 153.A N SER 149.A O no hydrogen 3.163 N/A ASN 154.A N SER 150.A O no hydrogen 2.871 N/A LEU 155.A N GLU 151.A O no hydrogen 3.082 N/A TYR 156.A N LEU 152.A O no hydrogen 2.812 N/A TYR 156.A OH ILE 137.A O no hydrogen 2.659 N/A ASP 157.A N ALA 153.A O no hydrogen 3.085 N/A LYS 158.A N ASN 154.A O no hydrogen 3.367 N/A LEU 159.A N LEU 155.A O no hydrogen 3.060 N/A VAL 160.A N TYR 156.A O no hydrogen 2.756 N/A THR 161.A N ASP 157.A O no hydrogen 3.189 N/A THR 161.A OG1 ASP 157.A O no hydrogen 2.628 N/A TYR 162.A N LYS 158.A O no hydrogen 3.097 N/A TYR 162.A OH PHE 199.A O no hydrogen 2.870 N/A PHE 163.A N LEU 159.A O no hydrogen 2.725 N/A THR 164.A N VAL 160.A O no hydrogen 2.848 N/A THR 164.A OG1 VAL 160.A O no hydrogen 2.662 N/A VAL 165.A N THR 161.A O no hydrogen 3.048 N/A LEU 166.A N TYR 162.A O no hydrogen 3.305 N/A TRP 167.A N PHE 163.A O no hydrogen 3.098 N/A ILE 168.A N THR 164.A O no hydrogen 3.058 N/A GLY 169.A N LEU 166.A O no hydrogen 3.006 N/A TYR 170.A N TRP 167.A O no hydrogen 3.247 N/A TYR 170.A OH SER 200.A OG no hydrogen 2.757 N/A VAL 173.A N GLY 169.A O no hydrogen 2.919 N/A TRP 174.A N TYR 170.A O no hydrogen 3.018 N/A TRP 174.A NE1 TYR 64.A OH no hydrogen 2.861 N/A ILE 175.A N PRO 171.A O no hydrogen 3.158 N/A ILE 176.A N ILE 172.A O no hydrogen 3.091 N/A GLY 177.A N VAL 173.A O no hydrogen 2.983 N/A SER 179.A OG ASP 111.A OD1 no hydrogen 2.994 N/A SER 179.A OG ASP 111.A OD2 no hydrogen 3.245 N/A GLY 180.A N GLY 177.A O no hydrogen 2.884 N/A PHE 181.A N ILE 175.A O no hydrogen 2.738 N/A GLY 182.A N GLY 177.A O no hydrogen 2.794 N/A TRP 183.A N ILE 176.A O no hydrogen 2.629 N/A ILE 184.A N ILE 176.A O no hydrogen 3.197 N/A ILE 188.A N ASN 185.A OD1 no hydrogen 2.738 N/A ASP 189.A N ASN 185.A O no hydrogen 2.965 N/A THR 190.A N GLN 186.A O no hydrogen 2.729 N/A THR 190.A OG1 GLU 4.A OE2 no hydrogen 2.984 N/A THR 190.A OG1 HIS 60.A NE2 no hydrogen 3.059 N/A THR 190.A OG1 GLN 186.A O no hydrogen 2.988 N/A PHE 191.A N THR 187.A O no hydrogen 2.916 N/A LEU 192.A N ILE 188.A O no hydrogen 2.995 N/A PHE 193.A N ASP 189.A O no hydrogen 2.935 N/A CYS 194.A N PHE 191.A O no hydrogen 3.191 N/A CYS 194.A SG LEU 7.A O no hydrogen 3.935 N/A CYS 194.A SG THR 190.A O no hydrogen 3.452 N/A LEU 195.A N PHE 191.A O no hydrogen 3.233 N/A LEU 196.A N LEU 192.A O no hydrogen 3.150 N/A PHE 198.A N CYS 194.A O no hydrogen 3.122 N/A PHE 199.A N LEU 195.A O no hydrogen 3.156 N/A SER 200.A N LEU 196.A O no hydrogen 2.853 N/A SER 200.A OG TYR 170.A OH no hydrogen 2.757 N/A SER 200.A OG LEU 196.A O no hydrogen 2.829 N/A LYS 201.A N.A PRO 197.A O no hydrogen 2.827 N/A LYS 201.A N.B PRO 197.A O no hydrogen 2.790 N/A LYS 201.A NZ.B ASP 66.A OD2 no hydrogen 3.530 N/A GLY 203.A N PHE 198.A O no hydrogen 3.003 N/A SER 205.A N LYS 201.A O.A no hydrogen 3.154 N/A SER 205.A N LYS 201.A O.B no hydrogen 3.242 N/A SER 205.A OG LYS 201.A O.A no hydrogen 3.159 N/A SER 205.A OG LYS 201.A O.B no hydrogen 3.157 N/A PHE 206.A N VAL 202.A O no hydrogen 2.936 N/A LEU 207.A N GLY 203.A O no hydrogen 3.197 N/A ASP 208.A N PHE 204.A O no hydrogen 2.823 N/A LEU 209.A N SER 205.A O no hydrogen 2.802 N/A HIS 210.A N PHE 206.A O no hydrogen 2.956 N/A HIS 210.A NE2 HIS 21.A NE2 no hydrogen 2.792 N/A GLY 211.A N LEU 207.A O no hydrogen 2.951 N/A LEU 212.A N ASP 208.A O no hydrogen 3.045 N/A ARG 213.A N LEU 209.A O no hydrogen 2.960 N/A ARG 213.A NH1 LEU 25.A O no hydrogen 3.162 N/A ARG 213.A NH1 ASN 28.A O no hydrogen 2.721 N/A ARG 213.A NH1 TYR 37.A OH no hydrogen 2.806 N/A ARG 213.A NH2 ASN 28.A O no hydrogen 3.268 N/A ASN 214.A N HIS 210.A O no hydrogen 2.889 N/A ASN 216.A N ARG 213.A O no hydrogen 2.947 N/A ASN 216.A ND2 ARG 30.A O no hydrogen 2.960 N/A ASP 217.A N ASN 214.A O no hydrogen 3.129 N/A