Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8x5k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ILE 75.A O no hydrogen 2.891 N/A ASP 4.A N TYR 28.A OH no hydrogen 3.012 N/A ARG 5.A NE GLU 79.A OE1 no hydrogen 3.174 N/A ARG 5.A NE GLU 79.A OE2 no hydrogen 2.849 N/A ARG 5.A NH1 ARG 5.A O no hydrogen 3.277 N/A ARG 5.A NH2 GLU 79.A OE1 no hydrogen 2.610 N/A LYS 6.A N ASP 4.A OD1 no hydrogen 2.992 N/A LEU 7.A N ASP 4.A O no hydrogen 2.936 N/A LEU 8.A N ARG 5.A O no hydrogen 3.210 N/A THR 9.A N TYR 27.A O no hydrogen 2.947 N/A THR 9.A OG1 TYR 27.A OH no hydrogen 3.087 N/A GLU 11.A N LYS 25.A O no hydrogen 2.942 N/A LEU 15.A N VAL 23.A O no hydrogen 2.838 N/A GLY 18.A N GLY 21.A O no hydrogen 2.776 N/A THR 22.A N ILE 40.A O no hydrogen 3.048 N/A VAL 23.A N GLY 16.A O no hydrogen 3.008 N/A LYS 24.A N VAL 38.A O no hydrogen 2.777 N/A LYS 24.A NZ ASP 12.A O no hydrogen 3.037 N/A LYS 25.A NZ GLU 89.A OE2 no hydrogen 2.636 N/A GLY 26.A N VAL 36.A O no hydrogen 2.925 N/A TYR 27.A N THR 9.A O no hydrogen 3.002 N/A TYR 28.A N LYS 34.A O no hydrogen 2.807 N/A GLN 29.A N LEU 7.A O no hydrogen 2.985 N/A LYS 34.A N TYR 28.A O no hydrogen 2.913 N/A THR 35.A OG1 GLU 89.A OE1 no hydrogen 2.971 N/A VAL 36.A N GLY 26.A O no hydrogen 2.861 N/A ALA 37.A N MET 85.A O no hydrogen 3.000 N/A VAL 38.A N LYS 24.A O no hydrogen 2.673 N/A LYS 39.A N LEU 83.A O no hydrogen 2.913 N/A LYS 39.A NZ GLU 57.A OE1 no hydrogen 2.950 N/A LYS 39.A NZ ASP 149.A OD1 no hydrogen 2.934 N/A ILE 40.A N THR 22.A O no hydrogen 2.877 N/A LEU 41.A N TRP 81.A O no hydrogen 2.941 N/A LYS 42.A N PHE 20.A O no hydrogen 3.118 N/A LYS 42.A NZ ASN 19.A O no hydrogen 2.630 N/A ALA 45.A N LYS 42.A O no hydrogen 3.272 N/A ASN 46.A N ASN 43.A O no hydrogen 3.152 N/A ALA 49.A N ASP 47.A OD1 no hydrogen 2.835 N/A LEU 50.A N ASP 47.A OD1 no hydrogen 3.473 N/A LYS 51.A N ASP 47.A O no hydrogen 3.184 N/A ASP 52.A N PRO 48.A O no hydrogen 2.987 N/A GLU 53.A N ALA 49.A O no hydrogen 2.627 N/A LEU 54.A N LEU 50.A O no hydrogen 2.672 N/A LEU 55.A N LYS 51.A O no hydrogen 2.764 N/A ALA 56.A N ASP 52.A O no hydrogen 2.470 N/A GLU 57.A N GLU 53.A O no hydrogen 3.063 N/A ALA 58.A N LEU 54.A O no hydrogen 2.567 N/A ASN 59.A N LEU 55.A O no hydrogen 2.445 N/A VAL 60.A N ALA 56.A O no hydrogen 2.757 N/A MET 61.A N GLU 57.A O no hydrogen 2.804 N/A GLN 62.A N ALA 58.A O no hydrogen 2.933 N/A GLN 63.A N ASN 59.A O no hydrogen 3.279 N/A GLN 63.A N VAL 60.A O no hydrogen 3.034 N/A GLN 63.A NE2 ASN 59.A O no hydrogen 2.845 N/A LEU 64.A N VAL 60.A O no hydrogen 3.063 N/A LEU 64.A N MET 61.A O no hydrogen 3.128 N/A ASP 65.A N TYR 121.A OH no hydrogen 2.938 N/A TYR 68.A N ASN 66.A OD1 no hydrogen 2.871 N/A ILE 69.A N ASN 66.A O no hydrogen 3.207 N/A VAL 70.A N ILE 147.A O no hydrogen 2.996 N/A ARG 71.A N GLU 86.A OE2.A no hydrogen 2.844 N/A ILE 73.A N VAL 84.A O no hydrogen 2.786 N/A GLY 74.A N VAL 84.A O no hydrogen 3.325 N/A ILE 75.A N VAL 1.A O no hydrogen 2.831 N/A CYS 76.A N MET 82.A O no hydrogen 2.903 N/A CYS 76.A SG LEU 3.A O no hydrogen 3.663 N/A ALA 78.A N SER 80.A O no hydrogen 2.999 N/A GLU 79.A N GLU 79.A OE2 no hydrogen 2.699 N/A SER 80.A OG LEU 41.A O no hydrogen 2.310 N/A SER 80.A OG TRP 81.A O no hydrogen 3.509 N/A MET 82.A N CYS 76.A O no hydrogen 2.909 N/A LEU 83.A N LYS 39.A O no hydrogen 2.760 N/A VAL 84.A N GLY 74.A O no hydrogen 2.962 N/A MET 85.A N ALA 37.A O no hydrogen 2.912 N/A GLU 86.A N ARG 71.A O no hydrogen 3.027 N/A MET 87.A N THR 35.A O no hydrogen 3.303 N/A LEU 90.A N LEU 139.A O no hydrogen 2.913 N/A GLY 91.A N ALA 88.A O no hydrogen 3.107 N/A LEU 93.A N VAL 137.A O no hydrogen 2.706 N/A LYS 95.A N ASN 94.A OD1 no hydrogen 2.864 N/A TYR 96.A N PRO 92.A O no hydrogen 3.120 N/A LEU 97.A N LEU 93.A O no hydrogen 3.048 N/A GLN 98.A N ASN 94.A O no hydrogen 3.038 N/A GLN 98.A NE2 GLY 201.A O no hydrogen 2.868 N/A GLN 99.A N LYS 95.A O no hydrogen 3.156 N/A ASN 100.A N LEU 97.A O no hydrogen 3.149 N/A ASN 100.A ND2 TYR 96.A O no hydrogen 2.833 N/A ARG 101.A NE GLN 98.A O no hydrogen 2.868 N/A HIS 102.A NE2 ASN 100.A OD1 no hydrogen 3.062 N/A VAL 103.A N ASN 100.A O no hydrogen 3.204 N/A LYS 106.A N ASP 105.A OD1 no hydrogen 2.614 N/A ASN 107.A N LYS 104.A O no hydrogen 3.008 N/A ILE 108.A N LYS 104.A O no hydrogen 3.121 N/A ILE 109.A N ASP 105.A O no hydrogen 2.967 N/A GLU 110.A N LYS 106.A O no hydrogen 3.190 N/A LEU 111.A N ASN 107.A O no hydrogen 3.123 N/A VAL 112.A N ILE 108.A O no hydrogen 2.934 N/A HIS 113.A N ILE 109.A O no hydrogen 2.870 N/A HIS 113.A NE2 GLU 255.A OE2 no hydrogen 2.897 N/A GLN 114.A N GLU 110.A O no hydrogen 3.100 N/A GLN 114.A NE2 HIS 143.A O no hydrogen 2.888 N/A VAL 115.A N LEU 111.A O no hydrogen 3.001 N/A SER 116.A N VAL 112.A O no hydrogen 2.943 N/A SER 116.A OG HIS 113.A O no hydrogen 2.531 N/A MET 117.A N HIS 113.A O no hydrogen 2.967 N/A MET 117.A N GLN 114.A O no hydrogen 3.072 N/A GLY 118.A N GLN 114.A O no hydrogen 3.060 N/A MET 119.A N VAL 115.A O no hydrogen 2.829 N/A LYS 120.A N SER 116.A O no hydrogen 2.881 N/A TYR 121.A N MET 117.A O no hydrogen 3.120 N/A LEU 122.A N GLY 118.A O no hydrogen 2.958 N/A GLU 123.A N MET 119.A O no hydrogen 2.823 N/A GLU 124.A N LYS 120.A O no hydrogen 2.968 N/A SER 125.A N TYR 121.A O no hydrogen 2.955 N/A SER 125.A N LEU 122.A O no hydrogen 3.126 N/A SER 125.A OG TYR 121.A O no hydrogen 2.790 N/A ASN 126.A N GLU 123.A O no hydrogen 3.172 N/A PHE 127.A N LEU 122.A O no hydrogen 3.028 N/A VAL 128.A N LYS 154.A O no hydrogen 2.953 N/A HIS 129.A N ASP 186.A OD2 no hydrogen 2.749 N/A HIS 129.A NE2 SER 148.A O no hydrogen 2.791 N/A ARG 130.A N ASP 186.A OD1 no hydrogen 3.019 N/A ARG 130.A NH1 LEU 152.A O no hydrogen 2.954 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.002 N/A ALA 134.A N GLU 196.A OE1 no hydrogen 2.915 N/A ARG 135.A NH2 ASP 131.A OD1 no hydrogen 3.065 N/A ASN 136.A N ALA 133.A O no hydrogen 2.774 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.783 N/A VAL 137.A N ALA 134.A O no hydrogen 3.326 N/A LEU 138.A N LYS 146.A O no hydrogen 2.786 N/A LEU 139.A N GLY 91.A O no hydrogen 2.852 N/A VAL 140.A N TYR 144.A O no hydrogen 2.761 N/A GLN 142.A N GLN 142.A OE1 no hydrogen 2.707 N/A HIS 143.A N THR 141.A OG1 no hydrogen 3.106 N/A HIS 143.A ND1 GLU 110.A OE1 no hydrogen 2.810 N/A TYR 144.A N THR 141.A O no hydrogen 3.057 N/A TYR 144.A OH PRO 67.A O no hydrogen 2.520 N/A ALA 145.A N GLN 114.A OE1 no hydrogen 2.744 N/A LYS 146.A N LEU 138.A O no hydrogen 2.791 N/A LYS 146.A NZ PRO 67.A O no hydrogen 3.285 N/A LYS 146.A NZ GLU 86.A OE1.A no hydrogen 3.501 N/A LYS 146.A NZ GLU 86.A OE2.A no hydrogen 2.741 N/A LYS 146.A NZ TYR 144.A OH no hydrogen 3.538 N/A ILE 147.A N TYR 68.A O no hydrogen 2.781 N/A SER 148.A N ASN 136.A O no hydrogen 2.903 N/A SER 148.A OG ASN 136.A O no hydrogen 3.095 N/A SER 148.A OG ASP 149.A OD2 no hydrogen 2.554 N/A PHE 150.A N GLU 57.A OE2 no hydrogen 3.070 N/A SER 153.A N PHE 150.A O no hydrogen 3.041 N/A SER 153.A OG HIS 129.A O no hydrogen 2.963 N/A SER 153.A OG PHE 150.A O no hydrogen 3.446 N/A LYS 154.A N VAL 128.A O no hydrogen 2.948 N/A LEU 156.A N ASN 126.A O no hydrogen 2.804 N/A ARG 157.A N GLU 160.A OE1 no hydrogen 2.956 N/A ARG 157.A NE ASP 159.A OD1 no hydrogen 2.950 N/A ARG 157.A NH1 ASP 159.A OD1 no hydrogen 3.305 N/A ARG 157.A NH1 ASP 159.A OD2 no hydrogen 2.659 N/A GLU 160.A N ARG 157.A O no hydrogen 3.331 N/A TYR 163.A N PHE 181.A O no hydrogen 2.709 N/A ALA 165.A N TYR 179.A O no hydrogen 2.972 N/A LYS 169.A NZ TYR 205.A O no hydrogen 2.987 N/A LYS 169.A NZ MET 208.A O no hydrogen 3.165 N/A TRP 170.A N PRO 167.A O no hydrogen 2.909 N/A TRP 170.A NE1 GLU 196.A OE1 no hydrogen 2.937 N/A TYR 171.A N VAL 168.A O no hydrogen 3.024 N/A TYR 171.A OH ARG 130.A O no hydrogen 2.801 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.993 N/A CYS 175.A N ALA 172.A O no hydrogen 3.016 N/A CYS 175.A SG LYS 180.A O no hydrogen 3.458 N/A ASN 177.A N PRO 173.A O no hydrogen 2.858 N/A TYR 178.A N GLU 174.A O no hydrogen 2.946 N/A LYS 180.A N GLU 174.A O no hydrogen 3.360 N/A PHE 181.A N TYR 163.A O no hydrogen 2.812 N/A SER 182.A N SER 185.A OG no hydrogen 2.789 N/A LYS 184.A NZ VAL 245.A O no hydrogen 3.196 N/A LYS 184.A NZ ARG 248.A O no hydrogen 2.790 N/A SER 185.A N SER 182.A OG no hydrogen 3.237 N/A SER 185.A OG SER 182.A O no hydrogen 2.613 N/A ASP 186.A N SER 182.A O no hydrogen 3.161 N/A VAL 187.A N SER 183.A O no hydrogen 2.930 N/A TRP 188.A N LYS 184.A O no hydrogen 3.183 N/A SER 189.A N SER 185.A O no hydrogen 3.105 N/A SER 189.A OG TRP 170.A O no hydrogen 2.622 N/A SER 189.A OG SER 185.A O no hydrogen 3.230 N/A PHE 190.A N ASP 186.A O no hydrogen 2.864 N/A GLY 191.A N VAL 187.A O no hydrogen 2.998 N/A VAL 192.A N TRP 188.A O no hydrogen 3.278 N/A LEU 193.A N SER 189.A O no hydrogen 2.853 N/A MET 194.A N PHE 190.A O no hydrogen 2.847 N/A TRP 195.A N GLY 191.A O no hydrogen 3.103 N/A TRP 195.A NE1 GLY 224.A O no hydrogen 2.942 N/A GLU 196.A N VAL 192.A O no hydrogen 2.909 N/A ALA 197.A N LEU 193.A O no hydrogen 2.970 N/A PHE 198.A N MET 194.A O no hydrogen 2.997 N/A SER 199.A N TRP 195.A O no hydrogen 2.860 N/A SER 199.A OG TRP 195.A O no hydrogen 2.763 N/A TYR 200.A N ALA 197.A O no hydrogen 3.199 N/A TYR 200.A OH VAL 103.A O no hydrogen 2.755 N/A GLY 201.A N GLU 196.A O no hydrogen 2.866 N/A GLN 202.A N SER 199.A O no hydrogen 3.218 N/A GLN 202.A NE2 SER 199.A O no hydrogen 3.126 N/A MET 208.A N TYR 205.A O no hydrogen 3.099 N/A LYS 209.A N GLU 212.A OE1 no hydrogen 2.881 N/A VAL 213.A N LYS 209.A O no hydrogen 3.064 N/A THR 214.A N GLY 210.A O no hydrogen 2.961 N/A THR 214.A OG1 GLY 210.A O no hydrogen 3.475 N/A ALA 215.A N SER 211.A O no hydrogen 3.095 N/A MET 216.A N GLU 212.A O no hydrogen 2.967 N/A LEU 217.A N VAL 213.A O no hydrogen 2.899 N/A GLU 218.A N THR 214.A O no hydrogen 2.914 N/A LYS 219.A N ALA 215.A O no hydrogen 3.094 N/A GLY 220.A N LEU 217.A O no hydrogen 2.936 N/A GLU 221.A N MET 216.A O no hydrogen 3.084 N/A ARG 222.A NE TRP 241.A O no hydrogen 3.238 N/A ARG 222.A NH1 LEU 217.A O no hydrogen 3.207 N/A ARG 222.A NH1 GLU 221.A O no hydrogen 2.909 N/A ARG 222.A NH2 TRP 241.A O no hydrogen 2.966 N/A CYS 225.A SG PRO 226.A O no hydrogen 3.722 N/A CYS 225.A SG CYS 229.A O no hydrogen 3.777 N/A CYS 229.A N PRO 226.A O no hydrogen 2.916 N/A CYS 229.A SG PRO 230.A O no hydrogen 3.508 N/A GLU 232.A N GLU 232.A OE2 no hydrogen 2.722 N/A MET 233.A N PRO 230.A O no hydrogen 3.149 N/A TYR 234.A N PRO 230.A O no hydrogen 3.195 N/A TYR 234.A OH MET 223.A O no hydrogen 2.475 N/A ASP 235.A N ARG 231.A O no hydrogen 2.781 N/A LEU 236.A N GLU 232.A O no hydrogen 3.191 N/A MET 237.A N MET 233.A O no hydrogen 2.979 N/A ASN 238.A N TYR 234.A O no hydrogen 3.055 N/A ASN 238.A ND2 TYR 234.A O no hydrogen 3.181 N/A LEU 239.A N ASP 235.A O no hydrogen 2.951 N/A CYS 240.A N LEU 236.A O no hydrogen 2.893 N/A CYS 240.A SG LEU 236.A O no hydrogen 3.364 N/A TRP 241.A N MET 237.A O no hydrogen 2.968 N/A THR 242.A N LEU 239.A O no hydrogen 3.241 N/A THR 242.A OG1 LEU 239.A O no hydrogen 2.560 N/A GLU 246.A N ASP 244.A OD1 no hydrogen 3.252 N/A ASN 247.A N ASP 244.A O no hydrogen 3.118 N/A ARG 248.A N ASP 244.A O no hydrogen 3.119 N/A ARG 248.A N VAL 245.A O no hydrogen 3.166 N/A ARG 248.A NE THR 242.A O no hydrogen 2.787 N/A ARG 248.A NH1 GLU 174.A OE1 no hydrogen 3.533 N/A ARG 248.A NH1 GLU 174.A OE2 no hydrogen 2.809 N/A ARG 248.A NH1 LYS 184.A O no hydrogen 3.030 N/A ARG 248.A NH2 GLU 174.A OE1 no hydrogen 2.911 N/A ARG 248.A NH2 THR 242.A O no hydrogen 2.987 N/A ARG 248.A NH2 TYR 243.A O no hydrogen 3.070 N/A PHE 251.A N GLU 123.A OE2 no hydrogen 2.946 N/A VAL 254.A N GLY 250.A O no hydrogen 3.091 N/A GLU 255.A N PHE 251.A O no hydrogen 2.740 N/A LEU 256.A N ALA 252.A O no hydrogen 3.087 N/A ARG 257.A N ALA 253.A O no hydrogen 3.136 N/A LEU 258.A N VAL 254.A O no hydrogen 3.061 N/A ARG 259.A N GLU 255.A O no hydrogen 2.863 N/A ARG 259.A NE GLU 255.A OE2 no hydrogen 2.984 N/A ARG 259.A NH2 GLU 255.A OE1 no hydrogen 2.816 N/A ARG 259.A NH2 GLU 255.A OE2 no hydrogen 3.392 N/A ASN 260.A N LEU 256.A O no hydrogen 3.037 N/A TYR 261.A N ARG 257.A O no hydrogen 3.221 N/A TYR 261.A OH GLU 232.A OE2 no hydrogen 3.355 N/A TYR 262.A N LEU 258.A O no hydrogen 2.976 N/A TYR 263.A N ARG 259.A O no hydrogen 2.905 N/A