Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5gjg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N TYR 68.A O no hydrogen 3.242 N/A ILE 6.A N ALA 70.A O no hydrogen 3.046 N/A LYS 9.A N ASP 7.A OD1 no hydrogen 3.029 N/A GLU 10.A N ASP 7.A O no hydrogen 3.028 N/A ILE 11.A N TYR 8.A O no hydrogen 2.980 N/A GLU 12.A N LYS 29.A O no hydrogen 3.262 N/A GLU 14.A N LYS 27.A O no hydrogen 3.080 N/A VAL 17.A N VAL 25.A O no hydrogen 2.872 N/A GLY 20.A N GLY 23.A O no hydrogen 3.044 N/A GLY 23.A N GLY 20.A O no hydrogen 3.068 N/A VAL 25.A N GLY 18.A O no hydrogen 2.921 N/A CYS 26.A N ILE 37.A O no hydrogen 2.974 N/A LYS 27.A N GLU 15.A O no hydrogen 2.909 N/A LYS 29.A N GLU 12.A O no hydrogen 3.019 N/A TRP 30.A N LYS 33.A O no hydrogen 2.885 N/A LYS 33.A N TRP 30.A O no hydrogen 3.114 N/A VAL 35.A N ALA 28.A O no hydrogen 2.741 N/A ALA 36.A N MET 79.A O no hydrogen 2.853 N/A ILE 37.A N CYS 26.A O no hydrogen 3.020 N/A LYS 38.A N LEU 77.A O no hydrogen 3.320 N/A ILE 40.A N VAL 75.A O no hydrogen 3.187 N/A GLU 45.A N SER 42.A OG no hydrogen 3.043 N/A LYS 47.A N GLU 43.A O no hydrogen 3.407 N/A ALA 48.A N GLU 45.A O no hydrogen 3.155 N/A PHE 49.A N GLU 45.A O no hydrogen 3.111 N/A VAL 51.A N LYS 47.A O no hydrogen 3.157 N/A GLU 52.A N ALA 48.A O no hydrogen 3.276 N/A LEU 56.A N GLU 52.A O no hydrogen 2.993 N/A SER 57.A N LEU 53.A O no hydrogen 2.923 N/A ARG 58.A N GLN 55.A O no hydrogen 2.814 N/A VAL 59.A N GLN 55.A O no hydrogen 3.207 N/A ASN 60.A N TYR 118.A OH no hydrogen 3.041 N/A ASN 63.A N HIS 61.A ND1 no hydrogen 3.328 N/A ASN 63.A ND2 GLN 111.A OE1 no hydrogen 3.170 N/A ASN 63.A ND2 LEU 146.A O no hydrogen 2.812 N/A ILE 64.A N HIS 61.A O no hydrogen 3.078 N/A VAL 65.A N ILE 148.A O no hydrogen 2.924 N/A LYS 66.A N GLU 80.A OE1 no hydrogen 2.931 N/A TYR 68.A N VAL 78.A O no hydrogen 2.776 N/A GLY 69.A N VAL 78.A O no hydrogen 3.309 N/A ALA 70.A N HIS 4.A O no hydrogen 3.036 N/A CYS 71.A N CYS 76.A O no hydrogen 2.902 N/A CYS 71.A SG ILE 6.A O no hydrogen 3.775 N/A CYS 76.A N CYS 71.A O no hydrogen 3.245 N/A CYS 76.A SG PRO 74.A O no hydrogen 3.978 N/A LEU 77.A N LYS 38.A O no hydrogen 3.145 N/A VAL 78.A N GLY 69.A O no hydrogen 2.865 N/A MET 79.A N ALA 36.A O no hydrogen 2.951 N/A GLU 80.A N LYS 66.A O no hydrogen 2.816 N/A GLU 83.A N GLU 83.A OE2 no hydrogen 2.920 N/A GLY 85.A N ALA 82.A O no hydrogen 3.121 N/A LEU 87.A N LEU 137.A O no hydrogen 2.707 N/A TYR 88.A N PRO 134.A O no hydrogen 3.244 N/A ASN 89.A N SER 86.A OG no hydrogen 2.873 N/A VAL 90.A N SER 86.A O no hydrogen 3.049 N/A LEU 91.A N LEU 87.A O no hydrogen 2.836 N/A HIS 92.A N TYR 88.A O no hydrogen 2.668 N/A HIS 92.A NE2 GLU 182.A OE2 no hydrogen 2.805 N/A GLY 93.A N ASN 89.A O no hydrogen 2.889 N/A TYR 99.A N TYR 261.A O no hydrogen 3.008 N/A TYR 100.A N TYR 274.A OH no hydrogen 3.351 N/A TYR 100.A OH VAL 183.A O no hydrogen 2.775 N/A THR 101.A N HIS 104.A ND1 no hydrogen 3.132 N/A THR 101.A OG1 HIS 104.A ND1 no hydrogen 3.142 N/A HIS 104.A N THR 101.A OG1 no hydrogen 2.971 N/A HIS 104.A NE2 GLU 257.A O no hydrogen 2.732 N/A ALA 105.A N THR 101.A O no hydrogen 2.993 N/A MET 106.A N ALA 102.A O no hydrogen 2.978 N/A SER 107.A N ALA 103.A O no hydrogen 2.832 N/A TRP 108.A N HIS 104.A O no hydrogen 2.880 N/A TRP 108.A NE1 GLY 143.A O no hydrogen 2.791 N/A CYS 109.A N ALA 105.A O no hydrogen 3.212 N/A CYS 109.A SG ALA 105.A O no hydrogen 3.474 N/A LEU 110.A N MET 106.A O no hydrogen 2.779 N/A GLN 111.A N SER 107.A O no hydrogen 2.700 N/A GLN 111.A NE2 SER 107.A O no hydrogen 3.510 N/A GLN 111.A NE2 SER 107.A OG no hydrogen 3.000 N/A GLN 111.A NE2 THR 144.A O no hydrogen 3.137 N/A CYS 112.A N TRP 108.A O no hydrogen 2.834 N/A SER 113.A N CYS 109.A O no hydrogen 3.027 N/A SER 113.A OG LEU 110.A O no hydrogen 2.762 N/A GLN 114.A N LEU 110.A O no hydrogen 2.919 N/A GLY 115.A N GLN 111.A O no hydrogen 3.204 N/A VAL 116.A N CYS 112.A O no hydrogen 2.978 N/A ALA 117.A N SER 113.A O no hydrogen 2.892 N/A TYR 118.A N GLN 114.A O no hydrogen 3.143 N/A TYR 118.A OH ARG 58.A O no hydrogen 3.172 N/A LEU 119.A N GLY 115.A O no hydrogen 3.159 N/A HIS 120.A N VAL 116.A O no hydrogen 2.793 N/A HIS 120.A NE2 ASP 172.A OD2 no hydrogen 2.949 N/A SER 121.A N TYR 118.A O no hydrogen 2.963 N/A SER 121.A OG TYR 118.A O no hydrogen 2.679 N/A MET 122.A N LEU 119.A O no hydrogen 3.264 N/A HIS 129.A N ASP 172.A OD2 no hydrogen 2.983 N/A ARG 130.A N ASP 172.A OD1 no hydrogen 3.020 N/A LYS 133.A NZ SER 153.A OG no hydrogen 2.789 N/A ASN 136.A N LYS 133.A O no hydrogen 2.857 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.682 N/A LEU 137.A N PRO 134.A O no hydrogen 3.035 N/A LEU 138.A N LYS 147.A O no hydrogen 2.814 N/A LEU 139.A N GLY 85.A O no hydrogen 2.961 N/A VAL 140.A N VAL 145.A O no hydrogen 2.885 N/A ALA 141.A N GLU 83.A OE1 no hydrogen 3.274 N/A GLY 143.A N VAL 140.A O no hydrogen 3.222 N/A THR 144.A N ALA 141.A O no hydrogen 3.202 N/A THR 144.A OG1 ALA 141.A O no hydrogen 2.506 N/A VAL 145.A N VAL 140.A O no hydrogen 3.011 N/A LEU 146.A N GLN 111.A OE1 no hydrogen 2.881 N/A LYS 147.A N LEU 138.A O no hydrogen 2.707 N/A LYS 147.A NZ PRO 62.A O no hydrogen 3.102 N/A LYS 147.A NZ GLU 80.A OE1 no hydrogen 3.234 N/A LYS 147.A NZ GLU 80.A OE2 no hydrogen 2.820 N/A ILE 148.A N ASN 63.A O no hydrogen 2.709 N/A CYS 149.A N ASN 136.A O no hydrogen 3.033 N/A CYS 149.A SG ASN 136.A O no hydrogen 3.574 N/A SER 153.A OG ASP 131.A OD1 no hydrogen 2.496 N/A TRP 156.A N SER 153.A O no hydrogen 3.154 N/A TRP 156.A NE1 GLU 182.A OE1 no hydrogen 2.716 N/A MET 157.A N ALA 154.A O no hydrogen 3.335 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 3.022 N/A VAL 161.A N ALA 158.A O no hydrogen 2.938 N/A GLU 163.A N PRO 159.A O no hydrogen 3.033 N/A GLY 164.A N VAL 161.A O no hydrogen 3.135 N/A SER 165.A OG GLU 163.A OE1 no hydrogen 2.578 N/A SER 168.A OG GLU 169.A OE1 no hydrogen 3.440 N/A LYS 170.A N SER 168.A OG no hydrogen 3.188 N/A LYS 170.A NZ PRO 232.A O no hydrogen 3.505 N/A LYS 170.A NZ ARG 235.A O no hydrogen 2.703 N/A CYS 171.A N SER 168.A O no hydrogen 3.342 N/A CYS 171.A SG SER 168.A O no hydrogen 3.123 N/A ASP 172.A N GLU 169.A O no hydrogen 3.144 N/A PHE 174.A N LYS 170.A O no hydrogen 3.252 N/A SER 175.A N CYS 171.A O no hydrogen 3.141 N/A SER 175.A OG TRP 156.A O no hydrogen 2.555 N/A SER 175.A OG CYS 171.A O no hydrogen 3.228 N/A TRP 176.A N ASP 172.A O no hydrogen 2.952 N/A TRP 176.A NE1 CYS 109.A O no hydrogen 2.784 N/A GLY 177.A N VAL 173.A O no hydrogen 2.964 N/A ILE 178.A N PHE 174.A O no hydrogen 3.249 N/A ILE 179.A N SER 175.A O no hydrogen 2.869 N/A LEU 180.A N TRP 176.A O no hydrogen 2.940 N/A TRP 181.A N GLY 177.A O no hydrogen 3.213 N/A TRP 181.A NE1 PRO 211.A O no hydrogen 2.701 N/A GLU 182.A N ILE 178.A O no hydrogen 2.826 N/A VAL 183.A N ILE 179.A O no hydrogen 2.907 N/A ILE 184.A N LEU 180.A O no hydrogen 3.139 N/A THR 185.A N TRP 181.A O no hydrogen 3.043 N/A THR 185.A OG1 TRP 181.A O no hydrogen 2.877 N/A THR 185.A OG1 GLU 182.A O no hydrogen 3.415 N/A ARG 186.A NE LEU 91.A O no hydrogen 2.897 N/A ARG 186.A NH1 PRO 98.A O no hydrogen 2.741 N/A ARG 186.A NH2 VAL 90.A O no hydrogen 2.761 N/A ARG 186.A NH2 PRO 98.A O no hydrogen 2.746 N/A ARG 187.A N THR 185.A OG1 no hydrogen 3.190 N/A GLU 192.A N GLU 192.A OE2 no hydrogen 2.613 N/A GLY 194.A N PHE 190.A O no hydrogen 3.372 N/A ARG 199.A N PRO 196.A O no hydrogen 3.019 N/A ARG 199.A NH2 ILE 193.A O no hydrogen 3.195 N/A ILE 200.A N ALA 197.A O no hydrogen 2.821 N/A MET 201.A N ALA 197.A O no hydrogen 3.094 N/A TRP 202.A N PHE 198.A O no hydrogen 2.865 N/A ALA 203.A N ARG 199.A O no hydrogen 3.044 N/A VAL 204.A N ILE 200.A O no hydrogen 2.770 N/A HIS 205.A N MET 201.A O no hydrogen 2.890 N/A ASN 206.A N TRP 202.A O no hydrogen 3.062 N/A ASN 206.A ND2 TRP 202.A O no hydrogen 3.062 N/A GLY 207.A N VAL 204.A O no hydrogen 2.783 N/A THR 208.A N ALA 203.A O no hydrogen 3.082 N/A ARG 209.A NE TRP 228.A O no hydrogen 2.828 N/A ARG 209.A NH1 TRP 228.A O no hydrogen 3.024 N/A ARG 209.A NH2 VAL 204.A O no hydrogen 3.131 N/A ARG 209.A NH2 THR 208.A O no hydrogen 2.813 N/A LYS 214.A N VAL 271.A O no hydrogen 2.715 N/A ILE 220.A N PRO 217.A O no hydrogen 2.912 N/A GLU 221.A N PRO 217.A O no hydrogen 2.992 N/A SER 222.A N LYS 218.A O no hydrogen 2.840 N/A SER 222.A OG LYS 218.A O no hydrogen 2.938 N/A LEU 223.A N PRO 219.A O no hydrogen 3.050 N/A MET 224.A N ILE 220.A O no hydrogen 3.004 N/A THR 225.A N GLU 221.A O no hydrogen 2.876 N/A THR 225.A OG1 GLU 221.A O no hydrogen 2.986 N/A THR 225.A OG1 SER 222.A O no hydrogen 3.339 N/A ARG 226.A N SER 222.A O no hydrogen 3.034 N/A ARG 226.A NH1 GLU 240.A OE1 no hydrogen 2.742 N/A CYS 227.A N LEU 223.A O no hydrogen 2.942 N/A CYS 227.A SG LEU 223.A O no hydrogen 3.236 N/A TRP 228.A N MET 224.A O no hydrogen 3.194 N/A SER 229.A N ARG 226.A O no hydrogen 3.356 N/A SER 229.A OG ARG 226.A O no hydrogen 2.920 N/A SER 233.A N ASP 231.A OD1 no hydrogen 3.167 N/A SER 233.A OG ASP 231.A OD1 no hydrogen 2.736 N/A GLN 234.A N ASP 231.A O no hydrogen 2.937 N/A ARG 235.A N PRO 232.A O no hydrogen 3.001 N/A ARG 235.A NE SER 229.A O no hydrogen 2.973 N/A ARG 235.A NH1 GLU 160.A OE1 no hydrogen 3.465 N/A ARG 235.A NH1 GLU 160.A OE2 no hydrogen 2.809 N/A ARG 235.A NH1 LYS 170.A O no hydrogen 2.955 N/A ARG 235.A NH2 GLU 160.A OE1 no hydrogen 2.979 N/A ARG 235.A NH2 SER 229.A O no hydrogen 2.870 N/A GLU 240.A N SER 237.A O no hydrogen 3.258 N/A GLU 240.A N SER 237.A OG no hydrogen 3.328 N/A ILE 241.A N SER 237.A O no hydrogen 3.082 N/A VAL 242.A N MET 238.A O no hydrogen 2.745 N/A LYS 243.A N GLU 239.A O no hydrogen 3.252 N/A ILE 244.A N GLU 240.A O no hydrogen 3.026 N/A MET 245.A N ILE 241.A O no hydrogen 2.812 N/A THR 246.A N VAL 242.A O no hydrogen 2.800 N/A THR 246.A OG1 VAL 242.A O no hydrogen 2.795 N/A HIS 247.A N LYS 243.A O no hydrogen 3.034 N/A LEU 248.A N ILE 244.A O no hydrogen 2.860 N/A MET 249.A N MET 245.A O no hydrogen 3.120 N/A MET 249.A N THR 246.A O no hydrogen 3.183 N/A ARG 250.A NE ASP 287.A OD2 no hydrogen 2.636 N/A ARG 250.A NH2 ASP 287.A OD1 no hydrogen 2.946 N/A ARG 250.A NH2 ASP 287.A OD2 no hydrogen 2.911 N/A TYR 251.A N LEU 248.A O no hydrogen 2.806 N/A TYR 251.A OH ASP 287.A OD2 no hydrogen 2.677 N/A PHE 252.A N MET 249.A O no hydrogen 2.976 N/A GLU 257.A N GLY 254.A O no hydrogen 3.031 N/A LEU 259.A N GLY 142.A O no hydrogen 2.783 N/A CYS 263.A SG TYR 274.A OH no hydrogen 3.458 N/A VAL 271.A N LEU 212.A O no hydrogen 2.996 N/A TYR 274.A N ILE 184.A O no hydrogen 2.770 N/A VAL 275.A N ILE 184.A O no hydrogen 3.444 N/A ALA 278.A N ASP 276.A OD2 no hydrogen 3.278 N/A TYR 281.A N PHE 277.A O no hydrogen 3.031 N/A TYR 281.A OH ASN 215.A O no hydrogen 2.612 N/A ARG 282.A N ALA 278.A O no hydrogen 2.975 N/A ARG 282.A NE GLU 279.A OE1 no hydrogen 2.999 N/A LEU 283.A N GLU 279.A O no hydrogen 2.938 N/A TRP 284.A N PHE 280.A O no hydrogen 2.838 N/A SER 285.A N TYR 281.A O no hydrogen 2.914 N/A SER 285.A OG GLY 289.A O no hydrogen 3.125 N/A VAL 286.A N ARG 282.A O no hydrogen 3.159 N/A ASP 287.A N LEU 283.A O no hydrogen 3.390 N/A HIS 288.A N TRP 284.A O no hydrogen 3.189 N/A HIS 288.A N SER 285.A O no hydrogen 3.267 N/A HIS 288.A ND1 TRP 284.A O no hydrogen 2.865 N/A