Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sxs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N VAL 71.A O no hydrogen 2.806 N/A ARG 7.A NH1 GLU 75.A O no hydrogen 3.124 N/A ARG 7.A NH1 PRO 77.A O no hydrogen 3.361 N/A ARG 7.A NH2 PRO 77.A O no hydrogen 2.904 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.811 N/A GLU 9.A N LYS 6.A O no hydrogen 2.927 N/A ILE 10.A N ARG 7.A O no hydrogen 3.140 N/A THR 11.A N LYS 28.A O no hydrogen 2.980 N/A LEU 13.A N LEU 26.A O no hydrogen 2.804 N/A LEU 16.A N VAL 24.A O no hydrogen 2.803 N/A GLY 17.A N VAL 24.A O no hydrogen 3.468 N/A GLY 19.A N GLY 22.A O no hydrogen 3.292 N/A GLN 20.A NE2 PHE 148.A O no hydrogen 2.802 N/A GLY 22.A N GLY 19.A O no hydrogen 3.181 N/A VAL 24.A N GLY 17.A O no hydrogen 2.787 N/A LYS 25.A N VAL 37.A O no hydrogen 2.931 N/A LEU 26.A N LYS 14.A O no hydrogen 2.738 N/A GLY 27.A N VAL 35.A O no hydrogen 2.751 N/A LYS 28.A N THR 11.A O no hydrogen 2.929 N/A LYS 28.A NZ GLN 32.A O no hydrogen 3.205 N/A TRP 29.A N TYR 33.A O no hydrogen 2.848 N/A LYS 30.A N GLU 9.A O no hydrogen 2.816 N/A LYS 30.A NZ GLU 9.A OE1 no hydrogen 3.049 N/A GLN 32.A N TRP 29.A O no hydrogen 3.030 N/A TYR 33.A N TRP 29.A O no hydrogen 2.917 N/A VAL 35.A N GLY 27.A O no hydrogen 2.902 N/A ALA 36.A N THR 82.A O no hydrogen 2.934 N/A VAL 37.A N LYS 25.A O no hydrogen 2.776 N/A LYS 38.A N ILE 80.A O no hydrogen 2.879 N/A LYS 38.A NZ GLN 20.A OE1 no hydrogen 3.021 N/A LYS 38.A NZ GLY 22.A O no hydrogen 2.957 N/A MET 39.A N VAL 23.A O no hydrogen 2.989 N/A ILE 40.A N ILE 78.A O no hydrogen 2.788 N/A SER 44.A N LYS 41.A O no hydrogen 3.260 N/A SER 44.A OG LYS 41.A O no hydrogen 2.681 N/A GLU 49.A N SER 46.A OG no hydrogen 3.178 N/A PHE 50.A N SER 46.A O no hydrogen 3.123 N/A GLU 53.A N GLU 49.A O no hydrogen 3.085 N/A ALA 54.A N PHE 50.A O no hydrogen 2.921 N/A GLN 55.A N PHE 51.A O no hydrogen 3.050 N/A THR 56.A N GLN 52.A O no hydrogen 2.970 N/A THR 56.A OG1 GLN 52.A O no hydrogen 2.644 N/A MET 57.A N GLU 53.A O no hydrogen 2.978 N/A MET 58.A N ALA 54.A O no hydrogen 3.045 N/A LYS 59.A N GLN 55.A O no hydrogen 2.956 N/A LEU 60.A N THR 56.A O no hydrogen 3.070 N/A SER 61.A N LYS 59.A O no hydrogen 3.163 N/A LYS 64.A N HIS 62.A ND1 no hydrogen 2.927 N/A LYS 64.A NZ ASP 112.A OD1 no hydrogen 2.757 N/A LYS 64.A NZ GLU 115.A OE1 no hydrogen 2.679 N/A LEU 65.A N HIS 62.A O no hydrogen 3.040 N/A VAL 66.A N VAL 145.A O no hydrogen 3.088 N/A LYS 67.A N GLU 83.A OE1 no hydrogen 2.817 N/A LYS 67.A NZ SER 61.A OG no hydrogen 3.420 N/A TYR 69.A N VAL 81.A O no hydrogen 2.804 N/A GLY 70.A N VAL 81.A O no hydrogen 3.395 N/A VAL 71.A N MET 3.A O no hydrogen 2.907 N/A CYS 72.A N TYR 79.A O no hydrogen 3.068 N/A CYS 72.A SG LEU 5.A O no hydrogen 3.921 N/A SER 73.A N GLU 4.A OE2 no hydrogen 2.773 N/A SER 73.A OG GLU 4.A OE1 no hydrogen 2.599 N/A SER 73.A OG GLU 4.A OE2 no hydrogen 3.308 N/A ILE 78.A N ILE 40.A O no hydrogen 2.971 N/A TYR 79.A N CYS 72.A O no hydrogen 2.992 N/A ILE 80.A N LYS 38.A O no hydrogen 2.861 N/A VAL 81.A N GLY 70.A O no hydrogen 2.899 N/A THR 82.A N ALA 36.A O no hydrogen 3.005 N/A THR 82.A OG1 ALA 36.A O no hydrogen 3.215 N/A THR 82.A OG1 GLU 83.A O no hydrogen 3.263 N/A GLU 83.A N LYS 67.A O no hydrogen 3.009 N/A ASN 87.A N VAL 137.A O no hydrogen 2.823 N/A ASN 87.A ND2 ASP 138.A O no hydrogen 3.094 N/A GLY 88.A N ILE 85.A O no hydrogen 3.031 N/A CYS 89.A SG ASN 92.A OD1 no hydrogen 3.402 N/A CYS 89.A SG ALA 132.A O no hydrogen 3.734 N/A CYS 89.A SG ARG 133.A O no hydrogen 3.512 N/A CYS 89.A SG CYS 135.A O no hydrogen 4.011 N/A LEU 90.A N CYS 135.A O no hydrogen 2.813 N/A TYR 93.A N CYS 89.A O no hydrogen 2.997 N/A LEU 94.A N LEU 90.A O no hydrogen 2.830 N/A ARG 95.A N LEU 91.A O no hydrogen 3.059 N/A ARG 95.A NE GLY 202.A O no hydrogen 2.753 N/A ARG 95.A NH2 GLY 202.A O no hydrogen 2.984 N/A SER 96.A N ASN 92.A O no hydrogen 2.912 N/A SER 96.A OG ASN 92.A O no hydrogen 3.394 N/A HIS 97.A N TYR 93.A O no hydrogen 2.772 N/A GLY 98.A N LEU 94.A O no hydrogen 2.869 N/A GLY 100.A N HIS 97.A O no hydrogen 3.223 N/A LEU 101.A N GLY 98.A O no hydrogen 3.031 N/A GLU 102.A N GLN 105.A OE1 no hydrogen 2.836 N/A GLN 105.A N GLU 102.A O no hydrogen 2.823 N/A LEU 106.A N GLU 102.A O no hydrogen 3.153 N/A LEU 107.A N PRO 103.A O no hydrogen 2.961 N/A GLU 108.A N SER 104.A O no hydrogen 3.108 N/A MET 109.A N GLN 105.A O no hydrogen 3.067 N/A CYS 110.A N LEU 106.A O no hydrogen 3.163 N/A CYS 110.A SG LEU 106.A O no hydrogen 3.501 N/A TYR 111.A N LEU 107.A O no hydrogen 2.833 N/A TYR 111.A OH GLU 260.A OE1 no hydrogen 2.636 N/A ASP 112.A N GLU 108.A O no hydrogen 2.916 N/A VAL 113.A N MET 109.A O no hydrogen 3.208 N/A CYS 114.A N CYS 110.A O no hydrogen 2.930 N/A CYS 114.A SG PHE 252.A O no hydrogen 3.717 N/A GLU 115.A N TYR 111.A O no hydrogen 2.916 N/A GLY 116.A N ASP 112.A O no hydrogen 3.141 N/A MET 117.A N VAL 113.A O no hydrogen 2.911 N/A ALA 118.A N CYS 114.A O no hydrogen 2.711 N/A PHE 119.A N GLU 115.A O no hydrogen 3.199 N/A LEU 120.A N GLY 116.A O no hydrogen 3.109 N/A GLU 121.A N MET 117.A O no hydrogen 2.871 N/A SER 122.A N ALA 118.A O no hydrogen 2.895 N/A SER 122.A OG PHE 119.A O no hydrogen 2.689 N/A HIS 123.A N LEU 120.A O no hydrogen 2.968 N/A GLN 124.A N GLU 121.A O no hydrogen 2.996 N/A PHE 125.A N LEU 120.A O no hydrogen 3.053 N/A ILE 126.A N ARG 152.A O no hydrogen 2.877 N/A HIS 127.A N ASP 187.A OD2 no hydrogen 2.956 N/A HIS 127.A NE2 SER 146.A O no hydrogen 2.842 N/A ARG 128.A N MET 150.A O no hydrogen 2.650 N/A ARG 128.A NE THR 151.A O no hydrogen 3.205 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 2.973 N/A ALA 132.A N GLU 197.A OE1 no hydrogen 2.896 N/A ARG 133.A NE ASP 129.A OD2 no hydrogen 3.022 N/A ARG 133.A NH2 ASP 129.A OD1 no hydrogen 2.709 N/A ASN 134.A N ALA 131.A O no hydrogen 2.933 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.715 N/A ASN 134.A ND2 ASP 129.A OD2 no hydrogen 2.817 N/A CYS 135.A N ALA 132.A O no hydrogen 3.203 N/A CYS 135.A SG ALA 131.A O no hydrogen 3.617 N/A LEU 136.A N LYS 144.A O no hydrogen 2.824 N/A VAL 137.A N GLY 88.A O no hydrogen 2.784 N/A ASP 138.A N CYS 142.A O no hydrogen 2.873 N/A ASP 140.A N ASP 138.A OD1 no hydrogen 2.857 N/A LEU 141.A N ASP 138.A O no hydrogen 2.934 N/A CYS 142.A N ASP 138.A OD1 no hydrogen 2.805 N/A CYS 142.A SG VAL 143.A O no hydrogen 3.819 N/A VAL 143.A N ASP 112.A OD2 no hydrogen 3.008 N/A LYS 144.A N LEU 136.A O no hydrogen 2.883 N/A LYS 144.A NZ PRO 63.A O no hydrogen 3.312 N/A LYS 144.A NZ GLU 83.A OE1 no hydrogen 3.133 N/A LYS 144.A NZ GLU 83.A OE2 no hydrogen 3.186 N/A VAL 145.A N LYS 64.A O no hydrogen 2.884 N/A SER 146.A N ASN 134.A O no hydrogen 2.807 N/A GLY 149.A N GLU 53.A OE1 no hydrogen 2.624 N/A MET 150.A N ASP 147.A O no hydrogen 3.048 N/A ARG 152.A N ILE 126.A O no hydrogen 3.012 N/A ARG 152.A NH1 SER 161.A O no hydrogen 3.046 N/A ARG 152.A NH1 VAL 163.A O no hydrogen 3.111 N/A ARG 152.A NH2 VAL 163.A O no hydrogen 3.485 N/A VAL 154.A N GLN 124.A O no hydrogen 2.911 N/A GLN 158.A N LEU 155.A O no hydrogen 3.272 N/A VAL 160.A N TYR 182.A O no hydrogen 2.950 N/A SER 162.A N PHE 180.A O no hydrogen 2.913 N/A VAL 163.A N SER 161.A OG no hydrogen 3.136 N/A LYS 170.A NZ PRO 205.A O no hydrogen 3.434 N/A LYS 170.A NZ TYR 206.A O no hydrogen 2.851 N/A LYS 170.A NZ TYR 209.A O no hydrogen 2.808 N/A TRP 171.A N PRO 168.A O no hydrogen 3.139 N/A TRP 171.A NE1 GLU 197.A OE1 no hydrogen 2.861 N/A SER 172.A N VAL 169.A O no hydrogen 3.009 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.852 N/A VAL 176.A N ALA 173.A O no hydrogen 2.956 N/A PHE 177.A N ALA 173.A O no hydrogen 3.286 N/A HIS 178.A N PRO 174.A O no hydrogen 2.788 N/A HIS 178.A NE2 SER 219.A OG no hydrogen 2.747 N/A TYR 179.A N GLU 175.A O no hydrogen 3.059 N/A PHE 180.A N VAL 176.A O no hydrogen 3.155 N/A LYS 181.A N GLU 175.A O no hydrogen 3.161 N/A TYR 182.A N VAL 160.A O no hydrogen 2.753 N/A SER 183.A N SER 186.A OG no hydrogen 2.868 N/A SER 183.A OG GLU 175.A OE2 no hydrogen 2.896 N/A LYS 185.A N SER 183.A OG no hydrogen 2.991 N/A LYS 185.A NZ PRO 246.A O no hydrogen 3.087 N/A LYS 185.A NZ ARG 249.A O no hydrogen 2.721 N/A SER 186.A N SER 183.A O no hydrogen 3.203 N/A SER 186.A OG GLU 175.A OE2 no hydrogen 2.718 N/A SER 186.A OG SER 183.A O no hydrogen 3.432 N/A TRP 189.A N LYS 185.A O no hydrogen 3.300 N/A ALA 190.A N SER 186.A O no hydrogen 3.473 N/A PHE 191.A N ASP 187.A O no hydrogen 2.780 N/A GLY 192.A N VAL 188.A O no hydrogen 3.141 N/A ILE 193.A N TRP 189.A O no hydrogen 3.257 N/A LEU 194.A N ALA 190.A O no hydrogen 2.804 N/A MET 195.A N PHE 191.A O no hydrogen 2.808 N/A TRP 196.A N GLY 192.A O no hydrogen 3.032 N/A TRP 196.A NE1 TYR 225.A O no hydrogen 2.800 N/A GLU 197.A N ILE 193.A O no hydrogen 2.872 N/A VAL 198.A N LEU 194.A O no hydrogen 2.949 N/A PHE 199.A N MET 195.A O no hydrogen 2.978 N/A SER 200.A N TRP 196.A O no hydrogen 2.888 N/A SER 200.A OG TRP 196.A O no hydrogen 2.874 N/A LEU 201.A N VAL 198.A O no hydrogen 3.032 N/A GLY 202.A N GLU 197.A O no hydrogen 2.752 N/A LYS 203.A N SER 200.A O no hydrogen 3.426 N/A TYR 209.A N TYR 206.A O no hydrogen 3.086 N/A THR 210.A N GLU 213.A OE1 no hydrogen 2.989 N/A GLU 213.A N THR 210.A OG1 no hydrogen 3.238 N/A VAL 214.A N THR 210.A O no hydrogen 2.964 N/A VAL 215.A N ASN 211.A O no hydrogen 3.092 N/A LEU 216.A N SER 212.A O no hydrogen 3.287 N/A LYS 217.A N GLU 213.A O no hydrogen 2.810 N/A VAL 218.A N VAL 214.A O no hydrogen 2.791 N/A SER 219.A N VAL 215.A O no hydrogen 3.037 N/A SER 219.A OG HIS 178.A NE2 no hydrogen 2.747 N/A SER 219.A OG VAL 215.A O no hydrogen 2.610 N/A GLN 220.A N LEU 216.A O no hydrogen 3.043 N/A GLY 221.A N VAL 218.A O no hydrogen 3.026 N/A HIS 222.A N LYS 217.A O no hydrogen 3.048 N/A ARG 223.A NE TRP 242.A O no hydrogen 2.815 N/A ARG 223.A NH1 VAL 218.A O no hydrogen 2.977 N/A ARG 223.A NH1 HIS 222.A O no hydrogen 3.049 N/A ARG 223.A NH2 TRP 242.A O no hydrogen 2.916 N/A ARG 226.A NH1 HIS 228.A O no hydrogen 3.357 N/A ARG 226.A NH1 ALA 230.A O no hydrogen 2.972 N/A ALA 230.A N PRO 227.A O no hydrogen 3.041 N/A ILE 234.A N SER 231.A OG no hydrogen 3.099 N/A TYR 235.A N SER 231.A O no hydrogen 2.972 N/A TYR 235.A OH LEU 224.A O no hydrogen 2.703 N/A GLN 236.A N ASP 232.A O no hydrogen 2.882 N/A GLN 236.A NE2 ASP 232.A OD1 no hydrogen 3.091 N/A ILE 237.A N THR 233.A O no hydrogen 3.175 N/A MET 238.A N ILE 234.A O no hydrogen 3.038 N/A TYR 239.A N TYR 235.A O no hydrogen 2.804 N/A SER 240.A N GLN 236.A O no hydrogen 3.007 N/A SER 240.A N ILE 237.A O no hydrogen 3.239 N/A SER 240.A OG ILE 237.A O no hydrogen 2.678 N/A CYS 241.A N MET 238.A O no hydrogen 3.023 N/A CYS 241.A SG ILE 237.A O no hydrogen 3.636 N/A TRP 242.A N TYR 239.A O no hydrogen 3.007 N/A LEU 245.A N HIS 243.A ND1 no hydrogen 2.980 N/A LYS 248.A N LEU 245.A O no hydrogen 2.963 N/A ARG 249.A N PRO 246.A O no hydrogen 2.996 N/A ARG 249.A NE HIS 243.A O no hydrogen 2.884 N/A ARG 249.A NH1 GLU 175.A OE1 no hydrogen 3.469 N/A ARG 249.A NH1 GLU 175.A OE2 no hydrogen 2.947 N/A ARG 249.A NH1 LYS 185.A O no hydrogen 3.088 N/A ARG 249.A NH2 GLU 175.A OE1 no hydrogen 2.888 N/A ARG 249.A NH2 HIS 243.A O no hydrogen 3.218 N/A THR 251.A N GLN 254.A OE1 no hydrogen 3.127 N/A PHE 252.A N GLU 121.A OE1 no hydrogen 2.811 N/A GLN 253.A N GLU 121.A OE2 no hydrogen 3.109 N/A GLN 254.A N THR 251.A OG1 no hydrogen 3.065 N/A LEU 255.A N THR 251.A O no hydrogen 2.975 N/A LEU 256.A N PHE 252.A O no hydrogen 2.783 N/A SER 257.A N GLN 253.A O no hydrogen 3.314 N/A SER 257.A OG GLN 254.A O no hydrogen 3.178 N/A SER 258.A N GLN 254.A O no hydrogen 2.984 N/A SER 258.A OG GLN 254.A O no hydrogen 3.035 N/A ILE 259.A N LEU 255.A O no hydrogen 2.952 N/A ILE 259.A N LEU 256.A O no hydrogen 3.229 N/A GLU 260.A N LEU 256.A O no hydrogen 2.970 N/A LEU 262.A N ILE 259.A O no hydrogen 2.912 N/A ARG 263.A N GLU 260.A O no hydrogen 3.318 N/A ARG 263.A NE GLU 260.A OE2 no hydrogen 2.974 N/A ARG 263.A NH1 GLU 108.A OE1 no hydrogen 3.555 N/A ARG 263.A NH1 GLU 108.A OE2 no hydrogen 2.804 N/A ARG 263.A NH2 GLU 260.A OE2 no hydrogen 2.735 N/A