Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xaa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 8.A N ASP 5.A OD1 no hydrogen 3.166 N/A ALA 9.A N ASP 5.A O no hydrogen 2.915 N/A ILE 10.A N ARG 6.A O no hydrogen 2.856 N/A GLU 11.A N ALA 7.A O no hydrogen 2.939 N/A ARG 12.A N ALA 8.A O no hydrogen 2.827 N/A PHE 13.A N ALA 9.A O no hydrogen 2.905 N/A ARG 14.A N ILE 10.A O no hydrogen 2.960 N/A ARG 14.A NE GLU 11.A OE2 no hydrogen 3.159 N/A ARG 14.A NH2 GLU 11.A OE2 no hydrogen 2.701 N/A ARG 15.A N GLU 11.A O no hydrogen 2.946 N/A ASP 16.A N ARG 12.A O no hydrogen 2.704 N/A GLY 17.A N PHE 13.A O no hydrogen 2.922 N/A ALA 19.A N VAL 187.A O no hydrogen 2.829 N/A ASN 20.A ND2 PRO 179.A O no hydrogen 3.482 N/A ASN 20.A ND2 ASP 184.A OD2 no hydrogen 2.930 N/A ALA 21.A N VAL 185.A O no hydrogen 2.874 N/A GLY 22.A N ASN 20.A OD1 no hydrogen 2.841 N/A ALA 29.A N ALA 26.A O no hydrogen 2.687 N/A ILE 30.A N ALA 26.A O no hydrogen 3.248 N/A ALA 31.A N PRO 27.A O no hydrogen 2.961 N/A ARG 32.A N ASP 28.A O no hydrogen 3.136 N/A ARG 32.A NE ASP 28.A O no hydrogen 3.258 N/A ARG 32.A NE ASP 28.A OD1 no hydrogen 2.845 N/A ARG 32.A NH2 ASP 28.A OD1 no hydrogen 2.562 N/A LEU 33.A N ALA 29.A O no hydrogen 2.991 N/A LYS 34.A N ILE 30.A O no hydrogen 2.939 N/A LYS 34.A NZ GLU 38.A OE2 no hydrogen 3.240 N/A ALA 35.A N ALA 31.A O no hydrogen 3.068 N/A GLY 36.A N ARG 32.A O no hydrogen 2.829 N/A ALA 37.A N LEU 33.A O no hydrogen 2.758 N/A GLU 38.A N LYS 34.A O no hydrogen 2.885 N/A ARG 39.A N ALA 35.A O no hydrogen 3.015 N/A ARG 39.A NH1 GLU 81.A OE2 no hydrogen 3.192 N/A ARG 39.A NH2 GLU 81.A OE1 no hydrogen 3.063 N/A LEU 40.A N GLY 36.A O no hydrogen 3.092 N/A ILE 41.A N ALA 37.A O no hydrogen 2.945 N/A THR 42.A N GLU 38.A O no hydrogen 2.772 N/A THR 42.A OG1 GLU 38.A O no hydrogen 3.563 N/A THR 42.A OG1 ARG 39.A O no hydrogen 3.393 N/A ARG 43.A NH1 ASP 77.A O no hydrogen 2.838 N/A THR 45.A N ILE 41.A O no hydrogen 2.977 N/A THR 45.A OG1 ILE 41.A O no hydrogen 3.364 N/A THR 45.A OG1 ASP 46.A OD1 no hydrogen 2.949 N/A ASP 46.A N THR 42.A O no hydrogen 2.761 N/A GLU 47.A N THR 42.A O no hydrogen 3.186 N/A LEU 49.A N ARG 43.A O no hydrogen 2.802 N/A ARG 50.A NH1 PHE 44.A O no hydrogen 3.106 N/A ARG 50.A NH1 LEU 49.A O no hydrogen 2.918 N/A ASP 53.A N SER 51.A OG no hydrogen 3.246 N/A TYR 54.A N SER 51.A O no hydrogen 3.094 N/A TYR 54.A OH LEU 40.A O no hydrogen 2.994 N/A TRP 55.A N ARG 69.A O no hydrogen 2.798 N/A ASN 56.A ND2 TYR 54.A O no hydrogen 2.893 N/A PHE 57.A N VAL 66.A O no hydrogen 2.982 N/A ARG 64.A NH1 GLU 113.A OE1 no hydrogen 2.523 N/A ARG 64.A NH1 GLU 113.A OE2 no hydrogen 3.324 N/A ARG 64.A NH2 GLU 113.A OE2 no hydrogen 3.207 N/A VAL 66.A N PHE 57.A O no hydrogen 2.744 N/A LEU 67.A N GLU 113.A OE1 no hydrogen 2.950 N/A TYR 68.A N TRP 55.A O no hydrogen 2.914 N/A ARG 69.A N TRP 55.A O no hydrogen 3.234 N/A ARG 69.A NE HIS 71.A ND1 no hydrogen 3.092 N/A VAL 70.A N LEU 109.A O no hydrogen 2.721 N/A HIS 71.A N ASP 53.A O no hydrogen 2.723 N/A ASN 72.A ND2 ASP 53.A OD1 no hydrogen 2.705 N/A LEU 73.A N TYR 107.A O no hydrogen 2.841 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.525 N/A LYS 75.A N ASN 72.A O no hydrogen 2.978 N/A LYS 75.A NZ GLU 74.A OE2 no hydrogen 3.114 N/A GLN 76.A N LEU 73.A O no hydrogen 3.151 N/A GLN 76.A NE2 ASP 53.A OD2 no hydrogen 2.777 N/A GLN 76.A NE2 HIS 71.A O no hydrogen 3.008 N/A GLN 76.A NE2 ASN 72.A O no hydrogen 3.121 N/A TRP 78.A NE1 LEU 73.A O no hydrogen 3.017 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.692 N/A ARG 82.A N TRP 78.A O no hydrogen 3.014 N/A ARG 82.A NH1 GLN 76.A O no hydrogen 2.941 N/A ASP 83.A N PRO 80.A O no hydrogen 3.097 N/A LEU 84.A N GLU 81.A O no hydrogen 2.870 N/A LEU 85.A N ARG 82.A O no hydrogen 2.910 N/A HIS 86.A N ASP 83.A O no hydrogen 2.969 N/A ARG 87.A N LEU 84.A O no hydrogen 3.243 N/A ARG 87.A NH2 GLU 89.A OE2 no hydrogen 2.937 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.598 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.570 N/A LEU 90.A N ARG 87.A O no hydrogen 3.406 N/A GLN 92.A N GLU 88.A O no hydrogen 3.135 N/A LEU 93.A N GLU 89.A O no hydrogen 2.796 N/A ALA 94.A N LEU 90.A O no hydrogen 3.054 N/A ALA 95.A N ALA 91.A O no hydrogen 2.772 N/A ALA 96.A N GLN 92.A O no hydrogen 2.966 N/A PHE 97.A N LEU 93.A O no hydrogen 2.971 N/A VAL 98.A N ALA 94.A O no hydrogen 2.933 N/A ASP 99.A N ALA 96.A O no hydrogen 3.034 N/A GLY 100.A N ALA 95.A O no hydrogen 3.003 N/A VAL 103.A N ALA 213.A O no hydrogen 2.901 N/A THR 105.A N GLU 211.A O no hydrogen 2.627 N/A THR 105.A OG1 GLU 211.A O no hydrogen 3.200 N/A THR 105.A OG1 GLU 211.A OE2 no hydrogen 2.974 N/A ALA 108.A N VAL 209.A O no hydrogen 2.742 N/A LEU 109.A N VAL 70.A O no hydrogen 2.951 N/A VAL 110.A N THR 207.A O no hydrogen 2.986 N/A LEU 111.A N TYR 68.A O no hydrogen 3.075 N/A LYS 112.A N ARG 205.A O no hydrogen 2.739 N/A LYS 112.A NZ ALA 118.A O no hydrogen 3.192 N/A LYS 112.A NZ SER 196.A OG no hydrogen 2.766 N/A LYS 112.A NZ GLY 197.A O no hydrogen 2.911 N/A TYR 115.A N ASN 201.A O no hydrogen 2.865 N/A ARG 116.A N PRO 114.A O no hydrogen 2.649 N/A ARG 116.A NH1 ARG 64.A O no hydrogen 2.607 N/A ARG 116.A NH2 ARG 64.A O no hydrogen 3.013 N/A ARG 116.A NH2 PRO 65.A O no hydrogen 3.230 N/A ARG 116.A NH2 GLU 113.A OE2 no hydrogen 2.923 N/A VAL 120.A N SER 196.A O no hydrogen 2.878 N/A HIS 123.A N HIS 194.A O no hydrogen 2.964 N/A HIS 123.A ND1 PRO 121.A O no hydrogen 2.915 N/A HIS 123.A NE2 ASP 125.A OD1 no hydrogen 2.900 N/A ARG 124.A NE ARG 191.A O no hydrogen 2.800 N/A ARG 124.A NH1 PRO 161.A O no hydrogen 2.810 N/A ARG 124.A NH2 LEU 160.A O no hydrogen 3.028 N/A ARG 124.A NH2 ARG 191.A O no hydrogen 3.232 N/A ARG 126.A N VAL 190.A O no hydrogen 2.944 N/A ARG 126.A NE GLU 211.A OE2 no hydrogen 3.431 N/A ARG 126.A NH1 ASN 128.A OD1 no hydrogen 3.281 N/A ARG 126.A NH1 PRO 218.A O no hydrogen 2.646 N/A ARG 126.A NH2 GLU 211.A OE2 no hydrogen 3.050 N/A ASN 128.A ND2 PRO 219.A O no hydrogen 2.799 N/A ARG 132.A N ASP 189.A OD2 no hydrogen 2.550 N/A ARG 132.A NE PHE 97.A O no hydrogen 2.945 N/A ARG 132.A NH2 PHE 97.A O no hydrogen 2.884 N/A THR 133.A OG1 GLY 130.A O no hydrogen 3.183 N/A THR 133.A OG1 PRO 131.A O no hydrogen 3.222 N/A CYS 135.A N TYR 212.A O no hydrogen 2.865 N/A ASN 136.A N HIS 188.A O no hydrogen 2.896 N/A LEU 137.A N ILE 210.A O no hydrogen 2.787 N/A SER 138.A N VAL 186.A O no hydrogen 2.675 N/A ILE 139.A N ILE 208.A O no hydrogen 2.809 N/A CYS 140.A N ASP 184.A O no hydrogen 2.989 N/A CYS 140.A SG SER 138.A O no hydrogen 3.604 N/A CYS 140.A SG ASP 184.A O no hydrogen 3.520 N/A LEU 141.A N ARG 206.A O no hydrogen 2.934 N/A ALA 144.A N VAL 180.A O no hydrogen 3.029 N/A ASN 148.A N GLY 145.A O no hydrogen 3.020 N/A ASN 148.A ND2 SER 203.A OG no hydrogen 2.529 N/A CYS 150.A N GLY 145.A O no hydrogen 3.303 N/A CYS 150.A SG LEU 151.A O no hydrogen 3.554 N/A GLU 152.A N GLY 195.A O no hydrogen 2.826 N/A ALA 153.A N VAL 176.A O no hydrogen 3.080 N/A VAL 154.A N VAL 193.A O no hydrogen 3.003 N/A GLY 156.A N ASP 16.A O no hydrogen 2.892 N/A SER 157.A N VAL 154.A O no hydrogen 3.143 N/A SER 157.A OG VAL 154.A O no hydrogen 2.546 N/A HIS 158.A NE2 ARG 14.A O no hydrogen 3.284 N/A LEU 159.A N GLY 156.A O no hydrogen 3.090 N/A LEU 160.A N SER 157.A O no hydrogen 2.981 N/A ALA 164.A N PRO 161.A O no hydrogen 3.214 N/A LYS 168.A N GLU 165.A O no hydrogen 3.139 N/A VAL 169.A N GLU 165.A O no hydrogen 3.224 N/A ARG 170.A N VAL 166.A O no hydrogen 2.844 N/A ARG 170.A NH1 ARG 170.A O no hydrogen 2.827 N/A ALA 171.A N ALA 167.A O no hydrogen 3.014 N/A THR 172.A N LYS 168.A O no hydrogen 2.869 N/A THR 172.A OG1 LYS 168.A O no hydrogen 2.803 N/A GLY 173.A N VAL 169.A O no hydrogen 2.828 N/A VAL 176.A N ALA 153.A O no hydrogen 2.877 N/A VAL 178.A N LEU 151.A O no hydrogen 2.819 N/A VAL 180.A N ALA 144.A O no hydrogen 2.907 N/A SER 181.A N ASP 184.A OD2 no hydrogen 2.635 N/A GLN 182.A N ASP 143.A OD1 no hydrogen 3.123 N/A GLY 183.A N CYS 140.A O no hydrogen 2.806 N/A ASP 184.A N SER 181.A O no hydrogen 2.934 N/A VAL 185.A N GLY 22.A O no hydrogen 3.112 N/A VAL 186.A N SER 138.A O no hydrogen 2.887 N/A VAL 187.A N ALA 19.A O no hydrogen 2.871 N/A HIS 188.A N ASN 136.A O no hydrogen 3.064 N/A HIS 188.A NE2 ASP 125.A OD2 no hydrogen 3.257 N/A ASP 189.A N GLY 17.A O no hydrogen 2.719 N/A VAL 190.A N VAL 134.A O no hydrogen 3.139 N/A ARG 191.A N ASP 189.A OD1 no hydrogen 2.912 N/A ARG 191.A NE HIS 158.A O no hydrogen 3.002 N/A ARG 191.A NH1 VAL 127.A O no hydrogen 3.100 N/A ARG 191.A NH1 VAL 129.A O no hydrogen 2.745 N/A ARG 191.A NH1 ASP 162.A OD1 no hydrogen 2.907 N/A ARG 191.A NH2 LEU 160.A O no hydrogen 2.834 N/A ARG 191.A NH2 ASP 162.A OD1 no hydrogen 2.766 N/A LEU 192.A N ASP 189.A O no hydrogen 3.075 N/A VAL 193.A N SER 157.A OG no hydrogen 2.848 N/A HIS 194.A N HIS 123.A O no hydrogen 3.008 N/A HIS 194.A ND1 LEU 192.A O no hydrogen 2.553 N/A GLY 195.A N GLU 152.A O no hydrogen 3.091 N/A SER 196.A N VAL 120.A O no hydrogen 3.268 N/A ASN 199.A N ALA 117.A O no hydrogen 3.183 N/A ASN 199.A ND2 GLU 113.A O no hydrogen 2.811 N/A ASN 199.A ND2 SER 203.A O no hydrogen 2.578 N/A ASN 201.A ND2 HIS 147.A O no hydrogen 3.247 N/A ARG 205.A N LYS 112.A O no hydrogen 3.036 N/A ARG 206.A N ASP 142.A OD2 no hydrogen 2.852 N/A THR 207.A N VAL 110.A O no hydrogen 2.983 N/A ILE 208.A N ILE 139.A O no hydrogen 2.954 N/A VAL 209.A N ALA 108.A O no hydrogen 2.766 N/A ILE 210.A N LEU 137.A O no hydrogen 2.963 N/A GLU 211.A N ALA 106.A O no hydrogen 2.821 N/A TYR 212.A N CYS 135.A O no hydrogen 2.789 N/A ALA 213.A N VAL 103.A O no hydrogen 2.915 N/A ASP 214.A N THR 133.A O no hydrogen 3.017 N/A ALA 216.A N ASP 214.A OD1 no hydrogen 2.961 N/A ALA 217.A N ASP 214.A O no hydrogen 2.856 N/A