Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sij_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 GLY 98.A O no hydrogen 3.016 N/A ARG 5.A N ARG 1.A O no hydrogen 3.299 N/A ALA 6.A N HIS 2.A O no hydrogen 3.106 N/A ILE 7.A N SER 3.A O no hydrogen 2.767 N/A ALA 8.A N ARG 4.A O no hydrogen 2.763 N/A ALA 9.A N ARG 5.A O no hydrogen 3.045 N/A GLU 10.A N ALA 6.A O no hydrogen 2.997 N/A THR 11.A N ILE 7.A O no hydrogen 2.803 N/A THR 11.A OG1 ILE 7.A O no hydrogen 3.152 N/A THR 11.A OG1 ARG 108.A O no hydrogen 2.547 N/A VAL 12.A N ALA 8.A O no hydrogen 2.956 N/A GLU 13.A N ALA 9.A O no hydrogen 3.031 N/A ILE 14.A N GLU 10.A O no hydrogen 2.950 N/A LEU 15.A N THR 11.A O no hydrogen 2.914 N/A GLU 16.A N VAL 12.A O no hydrogen 2.994 N/A ARG 17.A N GLU 13.A O no hydrogen 2.693 N/A GLY 18.A N ILE 14.A O no hydrogen 2.736 N/A TYR 20.A N VAL 28.A O no hydrogen 2.973 N/A TYR 20.A OH LEU 155.A O no hydrogen 2.722 N/A ALA 22.A N ARG 26.A O no hydrogen 2.824 N/A SER 24.A N GLU 156.A OE2 no hydrogen 2.815 N/A SER 24.A OG GLU 156.A OE1 no hydrogen 2.636 N/A SER 24.A OG GLU 156.A OE2 no hydrogen 3.290 N/A GLY 25.A N ALA 22.A O no hydrogen 2.847 N/A ARG 26.A N SER 24.A OG no hydrogen 3.256 N/A VAL 28.A N TYR 20.A O no hydrogen 2.710 N/A ILE 30.A N GLY 18.A O no hydrogen 2.901 N/A ALA 31.A N GLY 18.A O no hydrogen 3.087 N/A VAL 34.A N ILE 30.A O no hydrogen 2.895 N/A ALA 35.A N ALA 31.A O no hydrogen 2.946 N/A GLN 36.A N ASP 32.A O no hydrogen 2.853 N/A ALA 37.A N HIS 33.A O no hydrogen 2.960 N/A VAL 38.A N VAL 34.A O no hydrogen 2.933 N/A ARG 39.A N ALA 35.A O no hydrogen 2.996 N/A GLY 40.A N GLN 36.A O no hydrogen 2.948 N/A GLY 40.A N ALA 37.A O no hydrogen 3.199 N/A THR 41.A N VAL 38.A O no hydrogen 3.167 N/A THR 41.A OG1 ALA 37.A O no hydrogen 2.705 N/A THR 41.A OG1 VAL 38.A O no hydrogen 3.459 N/A THR 41.A OG1 SER 115.A OG no hydrogen 2.634 N/A ARG 42.A N TYR 140.A O no hydrogen 2.971 N/A ARG 42.A NH1 ARG 39.A O no hydrogen 2.814 N/A ARG 42.A NH1 THR 41.A O no hydrogen 2.779 N/A TYR 44.A N LEU 138.A O no hydrogen 2.723 N/A TYR 44.A OH HIS 201.A NE2 no hydrogen 2.610 N/A GLU 47.A N GLU 47.A OE1 no hydrogen 2.755 N/A LEU 49.A N ARG 45.A O no hydrogen 3.133 N/A ALA 50.A N PRO 46.A O no hydrogen 2.982 N/A VAL 51.A N GLU 47.A O no hydrogen 3.261 N/A LEU 52.A N LYS 48.A O no hydrogen 3.221 N/A LEU 53.A N LEU 49.A O no hydrogen 2.991 N/A GLU 54.A N ALA 50.A O no hydrogen 3.083 N/A THR 56.A OG1 PHE 241.A O no hydrogen 2.775 N/A ARG 57.A N ALA 242.A O no hydrogen 2.909 N/A GLU 59.A N VAL 244.A O no hydrogen 2.976 N/A THR 61.A N PHE 246.A O no hydrogen 2.969 N/A THR 61.A OG1 GLU 63.A OE1 no hydrogen 2.617 N/A GLU 63.A N THR 61.A OG1 no hydrogen 3.185 N/A THR 64.A OG1 ASP 150.A OD1 no hydrogen 2.636 N/A THR 64.A OG1 ASP 150.A OD2 no hydrogen 3.399 N/A THR 65.A OG1 GLN 102.A OE1 no hydrogen 2.896 N/A ALA 67.A N THR 64.A OG1 no hydrogen 2.952 N/A ALA 68.A N THR 64.A O no hydrogen 3.062 N/A ALA 69.A N THR 65.A O no hydrogen 2.995 N/A ARG 70.A N LEU 66.A O no hydrogen 2.835 N/A ARG 71.A N ALA 67.A O no hydrogen 3.064 N/A ARG 71.A NE GLU 63.A OE2 no hydrogen 2.704 N/A ARG 71.A NH1 GLU 59.A OE1 no hydrogen 3.035 N/A ARG 71.A NH2 GLU 59.A OE1 no hydrogen 3.077 N/A ARG 71.A NH2 GLU 63.A OE1 no hydrogen 2.801 N/A ARG 71.A NH2 GLU 63.A OE2 no hydrogen 3.485 N/A LEU 72.A N ALA 68.A O no hydrogen 3.030 N/A THR 73.A N ALA 69.A O no hydrogen 2.840 N/A THR 73.A OG1 ALA 69.A O no hydrogen 2.672 N/A GLY 74.A N ARG 70.A O no hydrogen 3.083 N/A ALA 75.A N LEU 72.A O no hydrogen 2.995 N/A ALA 81.A N ARG 205.A O no hydrogen 3.043 N/A CYS 82.A N ALA 162.A O no hydrogen 2.754 N/A LEU 83.A N VAL 207.A O no hydrogen 3.032 N/A ASN 84.A N LEU 164.A O no hydrogen 2.766 N/A ASN 84.A ND2 GLU 103.A OE2 no hydrogen 3.273 N/A ASN 84.A ND2 THR 165.A OG1 no hydrogen 2.923 N/A SER 87.A N GLU 103.A OE1 no hydrogen 2.715 N/A SER 87.A OG HIS 90.A O no hydrogen 3.501 N/A GLU 89.A N SER 87.A OG no hydrogen 3.258 N/A HIS 90.A N SER 87.A OG no hydrogen 3.055 N/A GLY 92.A N GLU 103.A OE2 no hydrogen 2.943 N/A GLY 93.A N HIS 90.A O no hydrogen 2.866 N/A PHE 95.A N GLY 92.A O no hydrogen 3.177 N/A SER 97.A N GLY 94.A O no hydrogen 2.800 N/A GLY 98.A N PHE 95.A O no hydrogen 2.901 N/A ALA 99.A N GLY 94.A O no hydrogen 3.106 N/A GLN 102.A NE2 ASN 84.A OD1 no hydrogen 3.593 N/A GLY 105.A N ALA 101.A O no hydrogen 3.012 N/A LEU 106.A N GLN 102.A O no hydrogen 3.125 N/A ALA 107.A N GLU 103.A O no hydrogen 2.928 N/A ARG 108.A N ALA 104.A O no hydrogen 2.848 N/A SER 109.A N LEU 106.A O no hydrogen 3.117 N/A SER 109.A OG GLY 105.A O no hydrogen 2.684 N/A SER 110.A OG LEU 106.A O no hydrogen 2.707 N/A GLY 111.A N PRO 145.A O no hydrogen 2.894 N/A LEU 112.A N SER 110.A OG no hydrogen 2.947 N/A ALA 114.A N GLY 111.A O no hydrogen 2.975 N/A SER 115.A N GLY 111.A O no hydrogen 3.464 N/A SER 115.A OG THR 41.A OG1 no hydrogen 2.634 N/A SER 115.A OG SER 141.A OG no hydrogen 2.661 N/A LEU 116.A N LEU 112.A O no hydrogen 2.929 N/A ARG 117.A N TYR 113.A O no hydrogen 2.886 N/A ARG 117.A NH1 GLU 16.A OE2 no hydrogen 3.179 N/A ARG 117.A NH2 GLU 16.A OE2 no hydrogen 3.233 N/A ALA 118.A N SER 115.A O no hydrogen 3.123 N/A VAL 119.A N LEU 116.A O no hydrogen 2.916 N/A GLN 121.A N GLN 121.A OE1 no hydrogen 2.698 N/A PHE 122.A N VAL 119.A O no hydrogen 3.065 N/A ALA 124.A N PRO 120.A O no hydrogen 2.819 N/A PHE 125.A N GLN 121.A O no hydrogen 3.059 N/A HIS 126.A N PHE 122.A O no hydrogen 3.400 N/A HIS 126.A NE2 SER 135.A OG no hydrogen 2.640 N/A HIS 127.A N TYR 123.A O no hydrogen 2.927 N/A ARG 128.A N ALA 124.A O no hydrogen 3.078 N/A GLN 129.A N PHE 125.A O no hydrogen 3.017 N/A ARG 130.A N HIS 126.A O no hydrogen 3.093 N/A LEU 133.A N ASP 131.A OD2 no hydrogen 2.983 N/A TYR 134.A N ASP 131.A O no hydrogen 2.827 N/A SER 135.A OG HIS 126.A NE2 no hydrogen 2.640 N/A HIS 137.A N SER 135.A OG no hydrogen 3.223 N/A LEU 138.A N TYR 44.A O no hydrogen 2.957 N/A ILE 139.A N THR 165.A O no hydrogen 2.988 N/A TYR 140.A N ARG 42.A O no hydrogen 2.866 N/A SER 141.A N PHE 163.A O no hydrogen 2.925 N/A SER 141.A OG SER 115.A OG no hydrogen 2.661 N/A GLY 143.A N GLN 79.A OE1 no hydrogen 3.096 N/A VAL 144.A N VAL 161.A O no hydrogen 2.868 N/A VAL 146.A N TYR 159.A O no hydrogen 2.626 N/A PHE 147.A N SER 109.A O no hydrogen 2.954 N/A ARG 148.A N SER 109.A O no hydrogen 3.293 N/A ARG 148.A NE THR 11.A OG1 no hydrogen 3.057 N/A ARG 148.A NE ARG 108.A O no hydrogen 2.974 N/A ARG 148.A NH1 GLU 10.A OE1 no hydrogen 3.306 N/A ARG 148.A NH1 GLY 152.A O no hydrogen 3.011 N/A ARG 148.A NH2 GLU 10.A OE1 no hydrogen 2.854 N/A ARG 148.A NH2 THR 11.A OG1 no hydrogen 2.911 N/A ASP 149.A N ARG 153.A O no hydrogen 2.916 N/A ALA 151.A N ASP 149.A OD1 no hydrogen 3.212 N/A GLY 152.A N ASP 149.A O no hydrogen 2.930 N/A ARG 153.A N ASP 149.A OD1 no hydrogen 2.834 N/A LEU 155.A N PHE 147.A O no hydrogen 2.839 N/A TYR 159.A N VAL 146.A O no hydrogen 3.050 N/A ARG 160.A NH1 GLN 36.A OE1 no hydrogen 3.324 N/A VAL 161.A N VAL 144.A O no hydrogen 3.082 N/A ALA 162.A N VAL 80.A O no hydrogen 2.841 N/A PHE 163.A N SER 141.A O no hydrogen 2.810 N/A LEU 164.A N CYS 82.A O no hydrogen 2.856 N/A THR 165.A N ILE 139.A O no hydrogen 2.915 N/A ASN 170.A N PRO 132.A O no hydrogen 2.642 N/A ARG 172.A N PHE 216.A O no hydrogen 2.800 N/A ALA 173.A N ASN 170.A O no hydrogen 3.086 N/A ILE 174.A N ASN 170.A O no hydrogen 3.296 N/A GLY 175.A N ARG 171.A O no hydrogen 3.005 N/A LEU 177.A N ILE 174.A O no hydrogen 3.151 N/A ARG 178.A NH1 GLU 182.A OE2 no hydrogen 3.232 N/A THR 179.A N GLU 182.A OE1 no hydrogen 2.927 N/A GLU 182.A N THR 179.A OG1 no hydrogen 2.998 N/A ILE 183.A N THR 179.A O no hydrogen 3.119 N/A GLY 184.A N VAL 180.A O no hydrogen 2.917 N/A ARG 185.A N GLU 181.A O no hydrogen 2.892 N/A VAL 186.A N GLU 182.A O no hydrogen 2.926 N/A LEU 187.A N ILE 183.A O no hydrogen 2.886 N/A ARG 188.A N GLY 184.A O no hydrogen 2.922 N/A GLY 189.A N ARG 185.A O no hydrogen 3.050 N/A ARG 190.A N VAL 186.A O no hydrogen 2.913 N/A ARG 190.A NE ASP 136.A OD1 no hydrogen 2.857 N/A ARG 190.A NH1 LEU 133.A O no hydrogen 2.863 N/A ARG 190.A NH2 LEU 133.A O no hydrogen 2.821 N/A ARG 190.A NH2 PRO 167.A O no hydrogen 2.799 N/A ALA 191.A N LEU 187.A O no hydrogen 2.800 N/A ALA 192.A N ARG 188.A O no hydrogen 2.931 N/A LYS 193.A N GLY 189.A O no hydrogen 3.277 N/A LYS 193.A NZ PRO 46.A O no hydrogen 3.189 N/A LYS 193.A NZ ASP 136.A OD2 no hydrogen 2.825 N/A VAL 194.A N ARG 190.A O no hydrogen 2.970 N/A LEU 195.A N ALA 191.A O no hydrogen 2.986 N/A ALA 196.A N ALA 192.A O no hydrogen 2.825 N/A ALA 197.A N LYS 193.A O no hydrogen 2.866 N/A ALA 198.A N VAL 194.A O no hydrogen 3.000 N/A ARG 199.A N LEU 195.A O no hydrogen 2.953 N/A HIS 200.A N ALA 196.A O no hydrogen 2.892 N/A HIS 201.A N ALA 197.A O no hydrogen 3.063 N/A HIS 201.A NE2 TYR 44.A OH no hydrogen 2.610 N/A GLY 202.A N ARG 199.A O no hydrogen 2.975 N/A HIS 203.A N ALA 198.A O no hydrogen 3.082 N/A ARG 204.A NH1 ARG 240.A O no hydrogen 2.681 N/A ARG 205.A NE ASP 78.A OD2 no hydrogen 2.739 N/A ARG 205.A NH1 LEU 72.A O no hydrogen 2.884 N/A ARG 205.A NH2 LEU 72.A O no hydrogen 3.138 N/A ARG 205.A NH2 ASP 78.A O no hydrogen 2.910 N/A LEU 206.A N HIS 243.A O no hydrogen 2.978 N/A VAL 207.A N ALA 81.A O no hydrogen 2.801 N/A LEU 208.A N VAL 245.A O no hydrogen 2.810 N/A TRP 211.A N GLY 209.A O no hydrogen 2.775 N/A TRP 211.A NE1 SER 166.A O no hydrogen 2.953 N/A CYS 213.A N ALA 210.A O no hydrogen 3.079 N/A CYS 213.A SG TRP 211.A O no hydrogen 3.746 N/A CYS 213.A SG ASN 218.A O no hydrogen 3.599 N/A GLY 217.A N GLY 214.A O no hydrogen 3.348 N/A ASN 218.A N GLY 212.A O no hydrogen 2.962 N/A ALA 221.A N ASP 219.A OD1 no hydrogen 3.032 N/A GLN 222.A NE2 VAL 180.A O no hydrogen 2.876 N/A VAL 223.A N ASP 219.A O no hydrogen 2.960 N/A ALA 224.A N PRO 220.A O no hydrogen 2.819 N/A GLU 225.A N ALA 221.A O no hydrogen 2.978 N/A THR 226.A N GLN 222.A O no hydrogen 2.906 N/A THR 226.A OG1 GLN 222.A O no hydrogen 2.778 N/A PHE 227.A N VAL 223.A O no hydrogen 3.143 N/A ALA 228.A N ALA 224.A O no hydrogen 2.928 N/A GLY 229.A N GLU 225.A O no hydrogen 2.898 N/A LEU 230.A N PHE 227.A O no hydrogen 3.090 N/A LEU 231.A N PHE 227.A O no hydrogen 2.949 N/A LEU 232.A N ALA 228.A O no hydrogen 2.821 N/A GLY 235.A N LEU 232.A O no hydrogen 2.753 N/A PHE 237.A N LEU 230.A O no hydrogen 2.806 N/A ALA 238.A N GLY 235.A O no hydrogen 2.962 N/A ARG 240.A N PHE 237.A O no hydrogen 3.094 N/A ARG 240.A NE PRO 236.A O no hydrogen 2.859 N/A ALA 242.A N ARG 204.A O no hydrogen 2.691 N/A HIS 243.A N ARG 204.A O no hydrogen 3.337 N/A HIS 243.A NE2 GLU 59.A OE1 no hydrogen 2.908 N/A VAL 244.A N ARG 57.A O no hydrogen 2.748 N/A VAL 245.A N LEU 206.A O no hydrogen 2.976 N/A PHE 246.A N GLU 59.A O no hydrogen 2.726 N/A ALA 247.A N LEU 208.A O no hydrogen 2.991 N/A VAL 248.A N THR 61.A O no hydrogen 2.824 N/A ALA 252.A N ASP 250.A OD1 no hydrogen 3.310 N/A ALA 255.A N ALA 252.A O no hydrogen 3.183 N/A ARG 257.A N ASP 250.A OD2 no hydrogen 2.704 N/A ARG 257.A NE ASP 250.A OD2 no hydrogen 2.900 N/A ARG 257.A NH2 ASP 250.A OD1 no hydrogen 3.362 N/A ALA 259.A N ALA 255.A O no hydrogen 2.961 N/A ALA 260.A N PRO 256.A O no hydrogen 3.132 N/A ALA 262.A N HIS 258.A O no hydrogen 2.886 N/A ARG 263.A N ALA 259.A O no hydrogen 2.948 N/A ARG 264.A N ALA 260.A O no hydrogen 3.121 N/A ARG 264.A NE GLU 225.A OE1 no hydrogen 2.876 N/A ARG 264.A NH1 ARG 264.A O no hydrogen 2.770 N/A PHE 265.A N PHE 261.A O no hydrogen 2.656 N/A