Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3un8_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N PHE 1.A O no hydrogen 3.448 N/A TYR 5.A N ARG 2.A O no hydrogen 3.455 N/A THR 9.A OG1 GLY 124.A O no hydrogen 3.208 N/A THR 11.A N ASP 8.A O no hydrogen 3.320 N/A THR 11.A OG1 ASP 8.A OD1 no hydrogen 2.666 N/A SER 13.A N ARG 17.A O no hydrogen 3.082 N/A SER 13.A OG THR 15.A OG1 no hydrogen 3.149 N/A SER 13.A OG ARG 17.A O no hydrogen 3.186 N/A THR 15.A OG1 SER 13.A OG no hydrogen 3.149 N/A GLY 16.A N SER 13.A O no hydrogen 2.903 N/A ARG 17.A N SER 13.A OG no hydrogen 2.769 N/A ARG 17.A NE GLU 22.A OE2 no hydrogen 2.851 N/A ARG 17.A NH2 GLU 22.A OE1 no hydrogen 2.776 N/A GLN 20.A NE2 ASP 6.A O no hydrogen 2.808 N/A GLU 22.A N LEU 18.A O no hydrogen 3.013 N/A TYR 23.A N PHE 19.A O no hydrogen 2.740 N/A TYR 23.A OH ASP 6.A OD1 no hydrogen 3.070 N/A ALA 24.A N GLN 20.A O no hydrogen 3.161 N/A LEU 25.A N VAL 21.A O no hydrogen 3.017 N/A GLU 26.A N GLU 22.A O no hydrogen 3.179 N/A ALA 27.A N ALA 24.A O no hydrogen 3.302 N/A ILE 28.A N LEU 25.A O no hydrogen 3.306 N/A GLN 30.A N GLU 26.A O no hydrogen 3.240 N/A GLY 31.A N ALA 27.A O no hydrogen 3.239 N/A GLY 31.A N ILE 28.A O no hydrogen 2.928 N/A SER 32.A OG LEU 48.A O no hydrogen 2.616 N/A THR 34.A N ILE 160.A O no hydrogen 3.012 N/A THR 34.A OG1 VAL 46.A O no hydrogen 3.173 N/A THR 34.A OG1 SER 72.A OG no hydrogen 2.974 N/A VAL 35.A N VAL 46.A O no hydrogen 2.569 N/A GLY 36.A N THR 158.A O no hydrogen 2.803 N/A LEU 37.A N VAL 44.A O no hydrogen 2.967 N/A ARG 38.A N TYR 156.A O no hydrogen 3.033 N/A ARG 38.A NH1 SER 39.A O no hydrogen 2.685 N/A SER 39.A N HIS 42.A O no hydrogen 2.929 N/A SER 39.A OG ILE 181.A O no hydrogen 2.841 N/A SER 39.A OG ASP 182.A OD1 no hydrogen 3.286 N/A ASN 40.A N ASP 182.A OD1 no hydrogen 3.131 N/A THR 41.A N SER 39.A OG no hydrogen 3.329 N/A THR 41.A OG1 HIS 42.A ND1 no hydrogen 2.955 N/A HIS 42.A ND1 THR 41.A OG1 no hydrogen 2.955 N/A ALA 43.A N VAL 215.A O no hydrogen 2.787 N/A VAL 44.A N LEU 37.A O no hydrogen 2.711 N/A LEU 45.A N ALA 213.A O no hydrogen 2.798 N/A VAL 46.A N VAL 35.A O no hydrogen 2.736 N/A ALA 47.A N SER 211.A O no hydrogen 2.735 N/A LEU 48.A N VAL 33.A O no hydrogen 3.039 N/A LYS 49.A N ASN 209.A O no hydrogen 3.118 N/A LYS 49.A NZ ASP 225.A OD1 no hydrogen 3.240 N/A ARG 50.A NH1 GLN 30.A O no hydrogen 2.966 N/A ARG 50.A NH2 GLN 30.A O no hydrogen 3.153 N/A ASN 51.A ND2 ASP 53.A O no hydrogen 2.728 N/A ASP 53.A N SER 56.A OG no hydrogen 2.808 N/A SER 56.A N ASP 53.A O no hydrogen 3.244 N/A SER 56.A OG ASP 53.A O no hydrogen 2.695 N/A GLN 59.A N ARG 50.A O no hydrogen 3.210 N/A LYS 61.A NZ SER 32.A O no hydrogen 2.777 N/A LYS 61.A NZ LEU 73.A O no hydrogen 2.943 N/A ILE 63.A N LEU 71.A O no hydrogen 2.887 N/A LYS 64.A NZ GLU 67.A OE2 no hydrogen 3.203 N/A CYS 65.A N MET 69.A O no hydrogen 3.099 N/A ASP 66.A N MET 69.A O no hydrogen 2.921 N/A GLU 67.A N ASP 66.A OD2 no hydrogen 2.803 N/A MET 69.A N ASP 66.A O no hydrogen 3.507 N/A GLY 70.A N ILE 134.A O no hydrogen 3.059 N/A LEU 71.A N ILE 63.A O no hydrogen 3.078 N/A SER 72.A N LEU 132.A O no hydrogen 3.081 N/A SER 72.A OG THR 34.A OG1 no hydrogen 2.974 N/A LEU 73.A N LYS 61.A O no hydrogen 2.758 N/A ALA 74.A N GLY 130.A O no hydrogen 2.896 N/A LEU 76.A N GLY 128.A O no hydrogen 2.745 N/A ALA 80.A N LEU 76.A O no hydrogen 3.216 N/A ARG 81.A N ALA 77.A O no hydrogen 2.937 N/A VAL 82.A N PRO 78.A O no hydrogen 3.083 N/A LEU 83.A N ASP 79.A O no hydrogen 3.198 N/A SER 84.A N ALA 80.A O no hydrogen 2.893 N/A SER 84.A OG ALA 80.A O no hydrogen 2.748 N/A SER 84.A OG ARG 81.A O no hydrogen 3.015 N/A ASN 85.A N ARG 81.A O no hydrogen 2.961 N/A TYR 86.A N VAL 82.A O no hydrogen 3.051 N/A LEU 87.A N LEU 83.A O no hydrogen 3.110 N/A ARG 88.A N SER 84.A O no hydrogen 2.788 N/A ARG 88.A NE LYS 64.A O no hydrogen 2.773 N/A ARG 88.A NH2 LYS 64.A O no hydrogen 2.997 N/A GLN 89.A N ASN 85.A O no hydrogen 3.053 N/A GLN 90.A N TYR 86.A O no hydrogen 2.952 N/A CYS 91.A N LEU 87.A O no hydrogen 3.042 N/A CYS 91.A SG LEU 87.A O no hydrogen 3.287 N/A ASN 92.A N ARG 88.A O no hydrogen 3.036 N/A TYR 93.A N GLN 89.A O no hydrogen 2.791 N/A SER 94.A N GLN 90.A O no hydrogen 3.290 N/A SER 94.A OG ARG 100.A O no hydrogen 2.775 N/A SER 95.A N CYS 91.A O no hydrogen 3.311 N/A SER 95.A OG CYS 91.A O no hydrogen 3.049 N/A LEU 96.A N ASN 92.A O no hydrogen 3.076 N/A VAL 97.A N TYR 93.A O no hydrogen 2.954 N/A PHE 98.A N SER 94.A O no hydrogen 3.119 N/A ARG 100.A N SER 94.A O no hydrogen 3.070 N/A VAL 104.A N ASP 137.A OD1 no hydrogen 3.101 N/A ALA 107.A N ALA 103.A O no hydrogen 2.912 N/A GLY 108.A N VAL 104.A O no hydrogen 3.151 N/A HIS 109.A N GLU 105.A O no hydrogen 3.227 N/A LEU 110.A N ARG 106.A O no hydrogen 3.060 N/A LEU 111.A N ALA 107.A O no hydrogen 3.196 N/A CYS 112.A N GLY 108.A O no hydrogen 2.987 N/A CYS 112.A SG GLY 150.A O no hydrogen 3.124 N/A ASP 113.A N HIS 109.A O no hydrogen 3.156 N/A LYS 114.A N LEU 110.A O no hydrogen 3.316 N/A LYS 114.A NZ TYR 127.A OH no hydrogen 2.836 N/A ALA 115.A N LEU 111.A O no hydrogen 3.242 N/A GLN 116.A N CYS 112.A O no hydrogen 3.096 N/A LYS 117.A N ASP 113.A O no hydrogen 3.378 N/A ASN 118.A ND2 LYS 114.A O no hydrogen 3.161 N/A THR 119.A N GLN 116.A O no hydrogen 2.987 N/A THR 119.A OG1 GLN 116.A O no hydrogen 2.662 N/A ARG 125.A NH1 ASP 79.A OD1 no hydrogen 2.743 N/A ARG 125.A NH1 PRO 126.A O no hydrogen 3.404 N/A ARG 125.A NH2 ASP 79.A OD1 no hydrogen 3.389 N/A ARG 125.A NH2 ASP 79.A OD2 no hydrogen 2.744 N/A GLY 128.A N ASP 79.A OD1 no hydrogen 2.789 N/A GLY 130.A N ALA 74.A O no hydrogen 2.825 N/A LEU 131.A N PHE 146.A O no hydrogen 3.305 N/A LEU 132.A N SER 72.A O no hydrogen 2.925 N/A ILE 133.A N LEU 144.A O no hydrogen 2.822 N/A ILE 134.A N GLY 70.A O no hydrogen 2.839 N/A GLY 135.A N HIS 142.A O no hydrogen 3.207 N/A TYR 136.A N HIS 68.A O no hydrogen 3.089 N/A ASP 137.A N GLY 140.A O no hydrogen 3.114 N/A SER 139.A N ASP 137.A OD2 no hydrogen 2.893 N/A SER 139.A OG ASP 137.A OD2 no hydrogen 2.736 N/A SER 139.A OG HIS 142.A NE2 no hydrogen 2.681 N/A GLY 140.A N ASP 137.A O no hydrogen 3.472 N/A HIS 142.A N GLY 135.A O no hydrogen 2.824 N/A HIS 142.A ND1 GLU 154.A OE1 no hydrogen 2.937 N/A HIS 142.A NE2 ASP 137.A OD2 no hydrogen 2.927 N/A HIS 142.A NE2 SER 139.A OG no hydrogen 2.681 N/A LEU 144.A N ILE 133.A O no hydrogen 2.786 N/A GLU 145.A N THR 153.A O no hydrogen 2.881 N/A PHE 146.A N LEU 131.A O no hydrogen 2.660 N/A GLN 147.A N ASN 151.A O no hydrogen 3.124 N/A GLN 147.A NE2 GLU 145.A OE2 no hydrogen 2.944 N/A GLY 150.A N GLN 147.A O no hydrogen 2.738 N/A ASN 151.A N SER 149.A OG no hydrogen 3.400 N/A ASN 151.A ND2 SER 149.A OG no hydrogen 2.854 N/A THR 153.A N GLU 145.A O no hydrogen 3.130 N/A LEU 155.A N LEU 143.A O no hydrogen 2.863 N/A THR 158.A N GLY 36.A O no hydrogen 2.790 N/A THR 158.A OG1 GLU 145.A OE1 no hydrogen 2.690 N/A ILE 160.A N THR 34.A O no hydrogen 3.137 N/A ALA 162.A N GLY 31.A O no hydrogen 2.938 N/A SER 164.A OG GLY 161.A O no hydrogen 2.927 N/A LYS 168.A N SER 164.A O no hydrogen 3.060 N/A THR 169.A N GLN 165.A O no hydrogen 2.888 N/A THR 169.A OG1 GLN 165.A O no hydrogen 2.656 N/A TYR 170.A N GLY 166.A O no hydrogen 3.330 N/A TYR 170.A OH GLU 194.A OE1 no hydrogen 2.710 N/A LEU 171.A N ALA 167.A O no hydrogen 3.115 N/A GLU 172.A N LYS 168.A O no hydrogen 3.197 N/A ARG 173.A N THR 169.A O no hydrogen 3.173 N/A ARG 173.A N TYR 170.A O no hydrogen 3.030 N/A THR 174.A N TYR 170.A O no hydrogen 2.781 N/A THR 174.A OG1 TYR 170.A O no hydrogen 2.599 N/A THR 177.A N THR 174.A O no hydrogen 2.859 N/A PHE 178.A N THR 174.A O no hydrogen 3.339 N/A LYS 180.A N THR 177.A O no hydrogen 3.449 N/A GLY 183.A N THR 41.A OG1 no hydrogen 3.106 N/A LEU 188.A N PRO 185.A O no hydrogen 3.094 N/A ILE 189.A N PRO 185.A O no hydrogen 3.120 N/A LYS 190.A N ASP 186.A O no hydrogen 3.149 N/A ALA 191.A N GLU 187.A O no hydrogen 3.204 N/A GLY 192.A N LEU 188.A O no hydrogen 3.266 N/A GLY 192.A N ILE 189.A O no hydrogen 2.958 N/A VAL 193.A N ILE 189.A O no hydrogen 2.797 N/A GLU 194.A N LYS 190.A O no hydrogen 3.048 N/A ALA 195.A N ALA 191.A O no hydrogen 3.269 N/A ILE 196.A N GLY 192.A O no hydrogen 2.982 N/A SER 197.A N VAL 193.A O no hydrogen 3.162 N/A SER 197.A OG VAL 193.A O no hydrogen 3.283 N/A SER 197.A OG GLU 194.A O no hydrogen 2.805 N/A GLN 198.A N ALA 195.A O no hydrogen 3.257 N/A SER 199.A N ILE 196.A O no hydrogen 3.205 N/A SER 199.A OG ARG 163.A O no hydrogen 2.762 N/A LEU 200.A N SER 197.A O no hydrogen 3.385 N/A ASN 209.A N THR 206.A O no hydrogen 3.359 N/A LEU 210.A N THR 206.A O no hydrogen 3.305 N/A SER 211.A N ALA 47.A O no hydrogen 3.020 N/A SER 211.A OG ASP 225.A OD1 no hydrogen 2.930 N/A ILE 212.A N TYR 224.A O no hydrogen 3.255 N/A ALA 213.A N LEU 45.A O no hydrogen 2.805 N/A ILE 214.A N THR 222.A O no hydrogen 3.261 N/A VAL 215.A N ALA 43.A O no hydrogen 3.055 N/A GLY 216.A N THR 219.A O no hydrogen 2.879 N/A PHE 221.A N GLU 67.A O no hydrogen 3.080 N/A THR 222.A N ILE 214.A O no hydrogen 3.228 N/A THR 222.A OG1 PRO 220.A O no hydrogen 3.506 N/A TYR 224.A N ILE 212.A O no hydrogen 2.745 N/A VAL 229.A N GLY 226.A O no hydrogen 3.426 N/A ALA 230.A N GLU 227.A O no hydrogen 3.422 N/A LYS 231.A NZ ALA 228.A O no hydrogen 3.414 N/A TYR 232.A N VAL 229.A O no hydrogen 3.345 N/A TYR 232.A OH ASP 186.A OD1 no hydrogen 2.738 N/A ILE 233.A N ALA 230.A O no hydrogen 3.416 N/A