Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s75_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N HIS 1.A O no hydrogen 2.256 N/A GLY 4.A N ASN 9.A O no hydrogen 2.830 N/A GLY 6.A N ASN 9.A OD1 no hydrogen 2.995 N/A ASN 9.A ND2 HIS 2.A O no hydrogen 3.188 N/A HIS 13.A N GLY 10.A O no hydrogen 2.734 N/A HIS 13.A NE2 LYS 7.A O no hydrogen 2.816 N/A TRP 14.A NE1 GLY 4.A O no hydrogen 3.044 N/A TRP 14.A NE1 ASN 9.A O no hydrogen 3.047 N/A LYS 16.A N HIS 13.A O no hydrogen 3.106 N/A LYS 16.A NZ HIS 13.A ND1 no hydrogen 2.886 N/A ASP 17.A N TRP 14.A O no hydrogen 3.077 N/A PHE 18.A N TRP 14.A O no hydrogen 2.885 N/A ALA 21.A N PHE 18.A O no hydrogen 2.865 N/A LYS 22.A N PRO 19.A O no hydrogen 3.168 N/A GLY 23.A N ILE 20.A O no hydrogen 2.801 N/A ARG 25.A N GLU 202.A OE2 no hydrogen 2.920 N/A ARG 25.A NE GLY 193.A O no hydrogen 2.940 N/A ARG 25.A NH1 PRO 135.A O no hydrogen 3.557 N/A ARG 25.A NH2 PRO 135.A O no hydrogen 3.116 N/A ARG 25.A NH2 GLY 193.A O no hydrogen 3.107 N/A ARG 25.A NH2 VAL 204.A O no hydrogen 2.999 N/A GLN 26.A NE2 LEU 200.A O no hydrogen 3.085 N/A GLN 26.A NE2 GLU 202.A OE2 no hydrogen 2.988 N/A SER 27.A N SER 194.A OG no hydrogen 2.807 N/A SER 27.A OG TYR 191.A OH no hydrogen 2.779 N/A ILE 31.A N THR 106.A O no hydrogen 2.784 N/A THR 33.A N ASP 108.A OD1 no hydrogen 2.778 N/A THR 33.A OG1 ASP 108.A OD1 no hydrogen 3.370 N/A THR 33.A OG1 ASP 108.A OD2 no hydrogen 2.690 N/A THR 35.A N ASP 32.A O no hydrogen 3.136 N/A THR 35.A OG1 ASP 32.A OD1 no hydrogen 2.842 N/A ALA 36.A N ASP 32.A O no hydrogen 3.085 N/A LYS 37.A N ILE 253.A O no hydrogen 3.238 N/A ASP 39.A N ALA 255.A O no hydrogen 2.989 N/A SER 41.A N ASP 39.A OD1 no hydrogen 3.085 N/A SER 41.A OG ASP 39.A OD1 no hydrogen 2.920 N/A SER 41.A OG ASP 39.A OD2 no hydrogen 3.476 N/A LEU 42.A N ASP 39.A O no hydrogen 2.804 N/A SER 46.A N LYS 78.A O no hydrogen 2.889 N/A SER 48.A N VAL 76.A O no hydrogen 2.918 N/A TYR 49.A OH HIS 120.A NE2 no hydrogen 2.751 N/A ALA 52.A N TYR 49.A O no hydrogen 3.026 N/A SER 54.A OG PHE 173.A O no hydrogen 2.670 N/A LEU 55.A N GLU 67.A O no hydrogen 2.829 N/A ARG 56.A NE GLU 67.A OE2 no hydrogen 2.760 N/A ARG 56.A NH1 GLU 67.A OE1 no hydrogen 2.916 N/A ARG 56.A NH1 GLU 67.A OE2 no hydrogen 3.346 N/A ILE 57.A N ALA 171.A O no hydrogen 2.910 N/A LEU 58.A N ASN 65.A O no hydrogen 2.874 N/A ASN 59.A N LYS 169.A O no hydrogen 2.876 N/A ASN 59.A ND2 ILE 164.A O no hydrogen 3.052 N/A ASN 59.A ND2 ASN 227.A O no hydrogen 3.196 N/A ASN 60.A N ALA 63.A O no hydrogen 3.126 N/A GLY 61.A N ASN 59.A OD1 no hydrogen 2.832 N/A HIS 62.A N ASN 60.A OD1 no hydrogen 2.945 N/A ALA 63.A N ASN 60.A OD1 no hydrogen 2.949 N/A ASN 65.A N LEU 58.A O no hydrogen 2.871 N/A VAL 66.A N PHE 91.A O no hydrogen 2.867 N/A GLU 67.A N ARG 56.A O no hydrogen 2.873 N/A PHE 68.A N ILE 89.A O no hydrogen 2.951 N/A ASP 69.A N THR 53.A O no hydrogen 2.817 N/A SER 71.A N ASP 69.A OD1 no hydrogen 2.917 N/A SER 71.A OG ASP 69.A OD1 no hydrogen 2.709 N/A LYS 74.A N GLN 72.A O no hydrogen 2.994 N/A LYS 74.A NZ THR 53.A OG1 no hydrogen 2.987 N/A LYS 74.A NZ ASP 69.A OD2 no hydrogen 2.864 N/A VAL 76.A N SER 48.A O no hydrogen 3.015 N/A LEU 77.A N TYR 86.A O no hydrogen 2.847 N/A LYS 78.A N SER 46.A O no hydrogen 2.975 N/A GLY 80.A N PRO 44.A O no hydrogen 3.140 N/A LEU 82.A N GLY 79.A O no hydrogen 2.926 N/A TYR 86.A N LEU 77.A O no hydrogen 3.016 N/A TYR 86.A OH ASP 136.A O no hydrogen 3.021 N/A ARG 87.A N TRP 121.A O no hydrogen 2.822 N/A ARG 87.A NE ASP 73.A OD2 no hydrogen 2.647 N/A ARG 87.A NH1 ASP 70.A O no hydrogen 2.935 N/A ARG 87.A NH2 ASP 73.A OD2 no hydrogen 3.242 N/A LEU 88.A N ALA 75.A O no hydrogen 2.836 N/A ILE 89.A N VAL 119.A O no hydrogen 2.893 N/A PHE 91.A N VAL 66.A O no hydrogen 2.953 N/A HIS 92.A N HIS 117.A O no hydrogen 3.030 N/A HIS 92.A ND1 GLN 90.A OE1 no hydrogen 2.768 N/A HIS 94.A N GLU 115.A O no hydrogen 2.862 N/A HIS 94.A ND1 ASN 241.A O no hydrogen 2.723 N/A HIS 94.A NE2 HIS 92.A NE2 no hydrogen 3.156 N/A TRP 95.A N ASN 241.A OD1 no hydrogen 2.770 N/A TRP 95.A NE1 MET 238.A O no hydrogen 2.791 N/A GLY 96.A N ALA 113.A O no hydrogen 3.401 N/A SER 97.A N ASP 240.A OD1 no hydrogen 2.941 N/A SER 97.A OG ASP 240.A OD1 no hydrogen 3.521 N/A SER 97.A OG ASP 240.A OD2 no hydrogen 2.665 N/A GLN 101.A N LEU 98.A O no hydrogen 3.337 N/A GLN 101.A NE2 ASP 240.A OD1 no hydrogen 2.783 N/A SER 103.A N TYR 112.A O no hydrogen 2.915 N/A SER 103.A OG HIS 105.A O no hydrogen 2.818 N/A GLU 104.A N GLU 115.A OE1 no hydrogen 2.846 N/A HIS 105.A N GLU 115.A OE1 no hydrogen 2.802 N/A HIS 105.A ND1 GLU 115.A OE2 no hydrogen 2.793 N/A HIS 105.A NE2 TYR 191.A OH no hydrogen 2.631 N/A THR 106.A N VAL 29.A O no hydrogen 3.433 N/A THR 106.A OG1 ASP 30.A OD1 no hydrogen 2.605 N/A VAL 107.A N LYS 110.A O no hydrogen 3.038 N/A ASP 108.A N ILE 31.A O no hydrogen 2.818 N/A LYS 109.A N ASP 30.A OD1 no hydrogen 2.711 N/A LYS 110.A N VAL 107.A O no hydrogen 2.817 N/A TYR 112.A N SER 103.A OG no hydrogen 2.888 N/A ALA 114.A N LEU 145.A O no hydrogen 3.409 N/A GLU 115.A N HIS 94.A O no hydrogen 2.857 N/A LEU 116.A N ILE 143.A O no hydrogen 2.826 N/A HIS 117.A N HIS 92.A O no hydrogen 2.870 N/A HIS 117.A NE2 GLU 115.A OE2 no hydrogen 2.687 N/A LEU 118.A N LEU 141.A O no hydrogen 2.942 N/A VAL 119.A N GLN 90.A O no hydrogen 2.875 N/A HIS 120.A N ALA 139.A O no hydrogen 2.891 N/A HIS 120.A ND1 ALA 139.A O no hydrogen 2.991 N/A HIS 120.A NE2 TYR 49.A OH no hydrogen 2.751 N/A TRP 121.A N ARG 87.A O no hydrogen 2.969 N/A TRP 121.A NE1 ASP 70.A OD2 no hydrogen 2.851 N/A ASN 122.A N GLY 137.A O no hydrogen 2.776 N/A ASN 122.A ND2 ASP 136.A O no hydrogen 3.104 N/A THR 123.A N THR 85.A O no hydrogen 2.934 N/A THR 123.A OG1 THR 85.A O no hydrogen 3.357 N/A LYS 124.A N ASN 122.A OD1 no hydrogen 3.031 N/A LYS 124.A NZ TYR 125.A OH no hydrogen 3.318 N/A TYR 125.A N ASN 122.A O no hydrogen 3.057 N/A TYR 125.A OH ASP 136.A OD1 no hydrogen 2.539 N/A GLY 126.A N THR 123.A O no hydrogen 3.100 N/A ASP 127.A N TYR 125.A O no hydrogen 2.904 N/A LYS 130.A N ASP 127.A OD1 no hydrogen 2.827 N/A ALA 131.A N ASP 127.A O no hydrogen 2.956 N/A VAL 132.A N PHE 128.A O no hydrogen 2.983 N/A GLN 133.A N LYS 130.A O no hydrogen 3.117 N/A GLN 133.A NE2 GLY 129.A O no hydrogen 3.100 N/A GLN 134.A N ALA 131.A O no hydrogen 3.018 N/A GLY 137.A N GLN 134.A O no hydrogen 3.065 N/A LEU 138.A N CYS 203.A O no hydrogen 2.891 N/A ALA 139.A N HIS 120.A O no hydrogen 2.811 N/A VAL 140.A N THR 205.A O no hydrogen 3.157 N/A LEU 141.A N LEU 118.A O no hydrogen 2.939 N/A GLY 142.A N ILE 207.A O no hydrogen 2.803 N/A ILE 143.A N LEU 116.A O no hydrogen 2.857 N/A LEU 145.A N ALA 114.A O no hydrogen 2.898 N/A LYS 146.A N ILE 213.A O no hydrogen 2.876 N/A GLY 148.A N VAL 215.A O no hydrogen 2.734 N/A LYS 151.A N GLN 219.A OE1 no hydrogen 3.002 N/A LYS 151.A NZ LEU 182.A O no hydrogen 3.092 N/A LEU 154.A N LYS 151.A O no hydrogen 3.067 N/A GLN 155.A N PRO 152.A O no hydrogen 3.192 N/A GLN 155.A NE2 ASP 159.A OD1 no hydrogen 3.247 N/A GLN 155.A NE2 ASP 159.A OD2 no hydrogen 3.028 N/A VAL 158.A N LEU 154.A O no hydrogen 3.082 N/A ASP 159.A N GLN 155.A O no hydrogen 2.880 N/A VAL 160.A N VAL 157.A O no hydrogen 3.190 N/A LEU 161.A N VAL 158.A O no hydrogen 3.211 N/A SER 163.A N VAL 160.A O no hydrogen 2.956 N/A SER 163.A OG VAL 160.A O no hydrogen 2.664 N/A ILE 164.A N LEU 161.A O no hydrogen 2.987 N/A LYS 165.A NZ GLU 235.A OE2.A no hydrogen 3.266 N/A LYS 165.A NZ GLU 235.A OE2.B no hydrogen 3.549 N/A LYS 167.A N ASN 229.A O no hydrogen 2.928 N/A GLY 168.A N ASN 59.A O no hydrogen 2.761 N/A LYS 169.A N THR 166.A O no hydrogen 3.100 N/A LYS 169.A NZ SER 163.A O no hydrogen 3.301 N/A ALA 171.A N ILE 57.A O no hydrogen 2.910 N/A PHE 173.A N LEU 55.A O no hydrogen 3.035 N/A THR 174.A OG1 ASN 175.A OD1 no hydrogen 3.501 N/A PHE 176.A N SER 54.A OG no hydrogen 2.839 N/A ARG 179.A N ASP 177.A OD1 no hydrogen 2.976 N/A ARG 179.A NE ASP 177.A OD1 no hydrogen 3.060 N/A ARG 179.A NE ASP 177.A OD2 no hydrogen 3.173 N/A ARG 179.A NH1 ASP 50.A OD1 no hydrogen 3.288 N/A ARG 179.A NH2 ASP 177.A OD2 no hydrogen 3.039 N/A GLY 180.A N ASP 177.A O no hydrogen 3.159 N/A LEU 181.A N PRO 178.A O no hydrogen 2.929 N/A LEU 182.A N ARG 179.A O no hydrogen 3.443 N/A GLU 184.A N GLU 211.A OE2 no hydrogen 3.373 N/A SER 185.A N GLU 211.A OE1 no hydrogen 2.856 N/A ASP 187.A N SER 185.A OG no hydrogen 3.140 N/A TYR 188.A N SER 256.A OG no hydrogen 2.883 N/A TYR 188.A OH LYS 43.A O no hydrogen 2.650 N/A TRP 189.A N VAL 208.A O no hydrogen 2.824 N/A THR 190.A N LYS 254.A O no hydrogen 2.826 N/A THR 190.A OG1 TRP 206.A O no hydrogen 2.745 N/A TYR 191.A N TRP 206.A O no hydrogen 3.279 N/A TYR 191.A OH SER 27.A OG no hydrogen 2.779 N/A TYR 191.A OH HIS 105.A NE2 no hydrogen 2.631 N/A GLY 193.A N VAL 204.A O no hydrogen 2.769 N/A SER 194.A N SER 27.A OG no hydrogen 2.896 N/A SER 194.A OG LEU 195.A O no hydrogen 2.800 N/A LEU 195.A N LEU 201.A O no hydrogen 2.904 N/A THR 196.A OG1 GLU 104.A OE1 no hydrogen 2.656 N/A THR 196.A OG1 GLU 104.A OE2 no hydrogen 3.407 N/A LEU 200.A N THR 197.A O no hydrogen 2.779 N/A CYS 203.A N LEU 201.A O no hydrogen 3.046 N/A CYS 203.A SG LEU 201.A O no hydrogen 3.699 N/A VAL 204.A N GLY 193.A O no hydrogen 3.186 N/A THR 205.A N LEU 138.A O no hydrogen 2.874 N/A TRP 206.A N TYR 191.A O no hydrogen 2.962 N/A TRP 206.A NE1 SER 194.A O no hydrogen 2.925 N/A ILE 207.A N VAL 140.A O no hydrogen 3.023 N/A VAL 208.A N TRP 189.A O no hydrogen 2.858 N/A LEU 209.A N GLY 142.A O no hydrogen 2.834 N/A LYS 210.A N ASP 187.A O no hydrogen 2.914 N/A ILE 213.A N PHE 144.A O no hydrogen 2.824 N/A SER 214.A OG.A SER 149.A O no hydrogen 2.775 N/A SER 214.A OG.B SER 149.A O no hydrogen 3.405 N/A VAL 215.A N LYS 146.A O no hydrogen 2.875 N/A SER 216.A N GLN 219.A OE1 no hydrogen 3.082 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.723 N/A GLN 219.A N SER 216.A OG no hydrogen 3.088 N/A GLN 219.A NE2 LYS 151.A O no hydrogen 3.000 N/A GLN 219.A NE2 GLN 155.A OE1 no hydrogen 2.939 N/A VAL 220.A N SER 216.A O no hydrogen 3.082 N/A LEU 221.A N SER 217.A O no hydrogen 2.829 N/A LYS 222.A N GLU 218.A O no hydrogen 3.336 N/A LYS 222.A N GLN 219.A O no hydrogen 3.182 N/A PHE 223.A N GLN 219.A O no hydrogen 3.420 N/A ARG 224.A N VAL 220.A O no hydrogen 3.228 N/A ARG 224.A NE GLY 96.A O no hydrogen 2.777 N/A ARG 224.A NH1 ASP 99.A OD1 no hydrogen 3.513 N/A ARG 224.A NH2 ASP 99.A OD1 no hydrogen 2.853 N/A LYS 225.A N LYS 222.A O no hydrogen 3.169 N/A LEU 226.A N PHE 223.A O no hydrogen 3.205 N/A ASN 227.A N LYS 165.A O no hydrogen 2.829 N/A ASN 227.A ND2 GLU 235.A OE2.B no hydrogen 2.900 N/A PHE 228.A N GLU 236.A O no hydrogen 2.869 N/A ASN 229.A ND2 ASN 227.A OD1 no hydrogen 3.244 N/A ASN 229.A ND2 GLY 230.A O no hydrogen 2.938 N/A GLY 230.A N GLU 233.A OE1 no hydrogen 2.879 N/A GLU 233.A N GLY 230.A O no hydrogen 3.128 N/A GLU 236.A N ASN 229.A OD1 no hydrogen 2.752 N/A MET 238.A N LEU 226.A O no hydrogen 2.739 N/A ASN 241.A N TRP 95.A O no hydrogen 3.281 N/A ASN 241.A ND2 HIS 62.A O no hydrogen 2.878 N/A TRP 242.A NE1 ASP 240.A OD1 no hydrogen 3.032 N/A ARG 243.A N GLU 104.A OE2 no hydrogen 2.822 N/A ARG 243.A NH1 GLN 26.A OE1 no hydrogen 2.789 N/A ARG 243.A NH1 SER 27.A O no hydrogen 2.820 N/A ARG 243.A NH2 ALA 21.A O no hydrogen 3.154 N/A ARG 243.A NH2 GLN 26.A OE1 no hydrogen 3.372 N/A GLN 246.A N PRO 28.A O no hydrogen 2.748 N/A GLN 246.A NE2 PRO 244.A O no hydrogen 2.809 N/A ARG 251.A NE LEU 248.A O no hydrogen 2.797 N/A ARG 251.A NH1 GLN 26.A O no hydrogen 3.018 N/A ARG 251.A NH1 PRO 192.A O no hydrogen 2.856 N/A ARG 251.A NH2 GLN 26.A O no hydrogen 2.863 N/A ARG 251.A NH2 PRO 247.A O no hydrogen 2.916 N/A ARG 251.A NH2 LEU 248.A O no hydrogen 3.520 N/A LYS 254.A N THR 190.A O no hydrogen 2.965 N/A ALA 255.A N LYS 37.A O no hydrogen 2.895 N/A SER 256.A N TYR 188.A O no hydrogen 2.814 N/A SER 256.A OG TYR 188.A O no hydrogen 3.389 N/A