Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sxr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N VAL 67.A O no hydrogen 2.891 N/A ARG 7.A NH1 GLU 71.A O no hydrogen 3.104 N/A ARG 7.A NH1 PRO 73.A O no hydrogen 3.124 N/A ARG 7.A NH2 PRO 73.A O no hydrogen 2.718 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.859 N/A GLU 9.A N LYS 6.A O no hydrogen 3.019 N/A ILE 10.A N ARG 7.A O no hydrogen 3.198 N/A THR 11.A N LYS 24.A O no hydrogen 2.789 N/A LEU 13.A N LEU 22.A O no hydrogen 2.689 N/A LEU 16.A N VAL 20.A O no hydrogen 2.732 N/A GLY 17.A N VAL 20.A O no hydrogen 3.320 N/A SER 18.A OG GLU 15.A OE2 no hydrogen 2.662 N/A VAL 20.A N GLY 17.A O no hydrogen 2.825 N/A LYS 21.A N VAL 33.A O no hydrogen 2.811 N/A LEU 22.A N LYS 14.A O no hydrogen 2.621 N/A GLY 23.A N VAL 31.A O no hydrogen 2.802 N/A LYS 24.A N THR 11.A O no hydrogen 2.893 N/A LYS 24.A NZ ASP 30.A OD1 no hydrogen 3.345 N/A TRP 25.A N TYR 29.A O no hydrogen 2.776 N/A LYS 26.A N GLU 9.A O no hydrogen 2.778 N/A LYS 26.A NZ GLU 9.A OE1 no hydrogen 2.652 N/A LYS 26.A NZ GLU 9.A OE2 no hydrogen 3.380 N/A GLN 28.A N TRP 25.A O no hydrogen 3.241 N/A TYR 29.A N TRP 25.A O no hydrogen 2.923 N/A VAL 31.A N GLY 23.A O no hydrogen 2.836 N/A ALA 32.A N THR 78.A O no hydrogen 3.003 N/A VAL 33.A N LYS 21.A O no hydrogen 2.750 N/A LYS 34.A N ILE 76.A O no hydrogen 2.870 N/A MET 35.A N VAL 19.A O no hydrogen 2.914 N/A ILE 36.A N ILE 74.A O no hydrogen 2.799 N/A SER 40.A N LYS 37.A O no hydrogen 3.032 N/A SER 40.A OG LYS 37.A O no hydrogen 2.513 N/A GLU 45.A N SER 42.A OG no hydrogen 2.907 N/A PHE 46.A N SER 42.A O no hydrogen 3.001 N/A PHE 47.A N GLU 43.A O no hydrogen 2.963 N/A GLN 48.A N ASP 44.A O no hydrogen 3.113 N/A GLU 49.A N GLU 45.A O no hydrogen 2.914 N/A ALA 50.A N PHE 46.A O no hydrogen 2.898 N/A GLN 51.A N PHE 47.A O no hydrogen 3.053 N/A GLN 51.A NE2 GLN 48.A OE1 no hydrogen 3.547 N/A THR 52.A N GLN 48.A O no hydrogen 3.012 N/A THR 52.A OG1 GLN 48.A O no hydrogen 2.862 N/A MET 53.A N GLU 49.A O no hydrogen 3.059 N/A MET 54.A N ALA 50.A O no hydrogen 3.004 N/A LYS 55.A N GLN 51.A O no hydrogen 3.071 N/A LEU 56.A N THR 52.A O no hydrogen 2.972 N/A SER 57.A OG MET 54.A O no hydrogen 2.655 N/A LYS 60.A N HIS 58.A ND1 no hydrogen 2.912 N/A LYS 60.A NZ ASP 108.A OD1 no hydrogen 3.084 N/A LEU 61.A N HIS 58.A O no hydrogen 2.989 N/A VAL 62.A N VAL 141.A O no hydrogen 2.931 N/A LYS 63.A N GLU 79.A OE1 no hydrogen 2.636 N/A LYS 63.A NZ SER 57.A OG no hydrogen 3.013 N/A TYR 65.A N VAL 77.A O no hydrogen 2.772 N/A GLY 66.A N VAL 77.A O no hydrogen 3.192 N/A VAL 67.A N MET 3.A O no hydrogen 2.807 N/A CYS 68.A N TYR 75.A O no hydrogen 3.021 N/A CYS 68.A SG LEU 5.A O no hydrogen 3.645 N/A SER 69.A N GLU 4.A OE2 no hydrogen 2.980 N/A SER 69.A OG GLU 4.A OE1 no hydrogen 2.705 N/A TYR 72.A OH GLU 43.A OE2 no hydrogen 2.702 N/A ILE 74.A N ILE 36.A O no hydrogen 2.869 N/A TYR 75.A N CYS 68.A O no hydrogen 2.847 N/A ILE 76.A N LYS 34.A O no hydrogen 3.079 N/A VAL 77.A N GLY 66.A O no hydrogen 2.674 N/A THR 78.A N ALA 32.A O no hydrogen 3.005 N/A THR 78.A OG1 GLU 79.A O no hydrogen 3.034 N/A GLU 79.A N LYS 63.A O no hydrogen 2.973 N/A ASN 83.A N VAL 133.A O no hydrogen 2.776 N/A ASN 83.A ND2 ASP 134.A O no hydrogen 2.710 N/A GLY 84.A N ILE 81.A O no hydrogen 3.500 N/A CYS 85.A SG ASN 88.A OD1 no hydrogen 3.325 N/A LEU 86.A N CYS 131.A O no hydrogen 2.976 N/A TYR 89.A N CYS 85.A O no hydrogen 3.009 N/A LEU 90.A N LEU 86.A O no hydrogen 2.848 N/A ARG 91.A N LEU 87.A O no hydrogen 3.123 N/A ARG 91.A NE GLY 198.A O no hydrogen 2.673 N/A ARG 91.A NH2 GLY 198.A O no hydrogen 3.019 N/A SER 92.A N ASN 88.A O no hydrogen 2.894 N/A SER 92.A OG ASN 88.A O no hydrogen 3.252 N/A HIS 93.A N TYR 89.A O no hydrogen 2.807 N/A GLY 94.A N LEU 90.A O no hydrogen 2.814 N/A GLY 96.A N HIS 93.A O no hydrogen 3.213 N/A LEU 97.A N GLY 94.A O no hydrogen 2.879 N/A GLU 98.A N GLN 101.A OE1 no hydrogen 2.741 N/A GLN 101.A N GLU 98.A O no hydrogen 2.890 N/A LEU 102.A N GLU 98.A O no hydrogen 3.290 N/A LEU 103.A N PRO 99.A O no hydrogen 3.056 N/A GLU 104.A N SER 100.A O no hydrogen 3.031 N/A MET 105.A N GLN 101.A O no hydrogen 2.977 N/A CYS 106.A N LEU 102.A O no hydrogen 3.261 N/A CYS 106.A SG LEU 102.A O no hydrogen 3.470 N/A TYR 107.A N LEU 103.A O no hydrogen 2.979 N/A TYR 107.A OH GLU 111.A OE2 no hydrogen 3.212 N/A ASP 108.A N GLU 104.A O no hydrogen 2.996 N/A VAL 109.A N MET 105.A O no hydrogen 3.229 N/A CYS 110.A N CYS 106.A O no hydrogen 2.960 N/A CYS 110.A SG PHE 248.A O no hydrogen 3.538 N/A GLU 111.A N TYR 107.A O no hydrogen 2.836 N/A GLY 112.A N ASP 108.A O no hydrogen 3.143 N/A MET 113.A N VAL 109.A O no hydrogen 2.916 N/A ALA 114.A N CYS 110.A O no hydrogen 2.877 N/A PHE 115.A N GLU 111.A O no hydrogen 3.233 N/A LEU 116.A N GLY 112.A O no hydrogen 3.244 N/A GLU 117.A N MET 113.A O no hydrogen 2.873 N/A SER 118.A N ALA 114.A O no hydrogen 2.942 N/A SER 118.A OG PHE 115.A O no hydrogen 2.467 N/A HIS 119.A N LEU 116.A O no hydrogen 3.064 N/A GLN 120.A N GLU 117.A O no hydrogen 2.927 N/A PHE 121.A N LEU 116.A O no hydrogen 2.988 N/A ILE 122.A N ARG 148.A O no hydrogen 2.835 N/A HIS 123.A N ASP 183.A OD1 no hydrogen 2.716 N/A HIS 123.A NE2 SER 142.A O no hydrogen 2.636 N/A ARG 124.A N MET 146.A O no hydrogen 2.732 N/A ARG 124.A NE MET 146.A O no hydrogen 3.337 N/A ASP 125.A N HIS 123.A ND1 no hydrogen 3.020 N/A ALA 128.A N GLU 193.A OE1 no hydrogen 2.915 N/A ARG 129.A NE ASP 125.A OD2 no hydrogen 2.975 N/A ARG 129.A NH2 ASP 125.A OD1 no hydrogen 2.747 N/A ASN 130.A N ALA 127.A O no hydrogen 2.871 N/A ASN 130.A ND2 ASP 125.A O no hydrogen 2.573 N/A ASN 130.A ND2 ASP 125.A OD2 no hydrogen 2.823 N/A CYS 131.A N ALA 128.A O no hydrogen 2.984 N/A CYS 131.A SG ALA 127.A O no hydrogen 3.617 N/A LEU 132.A N LYS 140.A O no hydrogen 2.794 N/A VAL 133.A N GLY 84.A O no hydrogen 2.748 N/A ASP 134.A N CYS 138.A O no hydrogen 2.859 N/A ASP 136.A N ASP 134.A OD1 no hydrogen 2.924 N/A LEU 137.A N ASP 134.A O no hydrogen 3.144 N/A CYS 138.A N ASP 134.A OD1 no hydrogen 2.937 N/A VAL 139.A N ASP 108.A OD2 no hydrogen 2.873 N/A LYS 140.A N LEU 132.A O no hydrogen 2.856 N/A LYS 140.A NZ PRO 59.A O no hydrogen 2.798 N/A LYS 140.A NZ GLU 79.A OE1 no hydrogen 3.461 N/A LYS 140.A NZ GLU 79.A OE2 no hydrogen 3.528 N/A VAL 141.A N LYS 60.A O no hydrogen 2.944 N/A SER 142.A N ASN 130.A O no hydrogen 2.879 N/A MET 146.A N ASP 143.A O no hydrogen 2.859 N/A ARG 148.A N ILE 122.A O no hydrogen 3.027 N/A ARG 148.A NH1 SER 157.A O no hydrogen 2.822 N/A ARG 148.A NH1 VAL 159.A O no hydrogen 2.768 N/A ARG 148.A NH2 VAL 159.A O no hydrogen 2.704 N/A VAL 150.A N GLN 120.A O no hydrogen 2.817 N/A ASP 152.A N GLN 120.A OE1 no hydrogen 3.277 N/A ASP 153.A N SER 180.A OG no hydrogen 2.744 N/A GLN 154.A N LEU 151.A O no hydrogen 3.073 N/A VAL 156.A N TYR 178.A O no hydrogen 2.988 N/A SER 158.A N PHE 176.A O no hydrogen 2.995 N/A VAL 159.A N SER 157.A OG no hydrogen 3.034 N/A LYS 162.A NZ GLY 160.A O no hydrogen 3.526 N/A LYS 166.A NZ TYR 202.A O no hydrogen 3.372 N/A LYS 166.A NZ TYR 205.A O no hydrogen 2.870 N/A TRP 167.A N PRO 164.A O no hydrogen 3.336 N/A TRP 167.A NE1 GLU 193.A OE1 no hydrogen 2.976 N/A SER 168.A N VAL 165.A O no hydrogen 3.033 N/A SER 168.A OG PRO 164.A O no hydrogen 3.409 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.816 N/A VAL 172.A N ALA 169.A O no hydrogen 3.058 N/A HIS 174.A N PRO 170.A O no hydrogen 2.765 N/A HIS 174.A NE2 SER 215.A OG no hydrogen 2.617 N/A TYR 175.A N GLU 171.A O no hydrogen 2.985 N/A LYS 177.A N GLU 171.A O no hydrogen 3.270 N/A TYR 178.A N VAL 156.A O no hydrogen 2.802 N/A SER 179.A N SER 182.A OG no hydrogen 2.874 N/A SER 179.A OG GLU 171.A OE2 no hydrogen 2.739 N/A SER 180.A N GLN 154.A O no hydrogen 3.309 N/A LYS 181.A N SER 179.A OG no hydrogen 3.125 N/A LYS 181.A NZ PRO 242.A O no hydrogen 3.458 N/A LYS 181.A NZ ARG 245.A O no hydrogen 2.976 N/A SER 182.A N SER 179.A O no hydrogen 3.233 N/A SER 182.A OG GLU 171.A OE2 no hydrogen 2.709 N/A SER 182.A OG SER 179.A O no hydrogen 3.450 N/A TRP 185.A N LYS 181.A O no hydrogen 3.411 N/A ALA 186.A N SER 182.A O no hydrogen 3.487 N/A PHE 187.A N ASP 183.A O no hydrogen 3.011 N/A GLY 188.A N VAL 184.A O no hydrogen 3.248 N/A ILE 189.A N TRP 185.A O no hydrogen 3.358 N/A LEU 190.A N ALA 186.A O no hydrogen 2.891 N/A MET 191.A N PHE 187.A O no hydrogen 2.879 N/A TRP 192.A N GLY 188.A O no hydrogen 2.938 N/A TRP 192.A NE1 TYR 221.A O no hydrogen 2.815 N/A GLU 193.A N ILE 189.A O no hydrogen 2.867 N/A VAL 194.A N LEU 190.A O no hydrogen 2.946 N/A PHE 195.A N MET 191.A O no hydrogen 2.965 N/A SER 196.A N TRP 192.A O no hydrogen 2.957 N/A SER 196.A OG TRP 192.A O no hydrogen 2.927 N/A SER 196.A OG GLU 193.A O no hydrogen 3.355 N/A LEU 197.A N VAL 194.A O no hydrogen 3.044 N/A GLY 198.A N GLU 193.A O no hydrogen 2.649 N/A LYS 199.A N SER 196.A OG no hydrogen 3.293 N/A TYR 205.A N TYR 202.A O no hydrogen 2.979 N/A THR 206.A N GLU 209.A OE1 no hydrogen 3.047 N/A GLU 209.A N THR 206.A OG1 no hydrogen 3.098 N/A VAL 210.A N THR 206.A O no hydrogen 2.949 N/A VAL 211.A N ASN 207.A O no hydrogen 2.973 N/A LEU 212.A N SER 208.A O no hydrogen 3.193 N/A LYS 213.A N GLU 209.A O no hydrogen 2.795 N/A LYS 213.A NZ TYR 205.A OH no hydrogen 2.762 N/A VAL 214.A N VAL 210.A O no hydrogen 2.798 N/A SER 215.A N VAL 211.A O no hydrogen 3.148 N/A SER 215.A OG HIS 174.A NE2 no hydrogen 2.617 N/A SER 215.A OG VAL 211.A O no hydrogen 2.640 N/A GLN 216.A N LEU 212.A O no hydrogen 3.047 N/A GLY 217.A N VAL 214.A O no hydrogen 3.034 N/A HIS 218.A N LYS 213.A O no hydrogen 2.958 N/A ARG 219.A NE TRP 238.A O no hydrogen 2.935 N/A ARG 219.A NH1 VAL 214.A O no hydrogen 3.007 N/A ARG 219.A NH1 HIS 218.A O no hydrogen 2.807 N/A ARG 219.A NH2 TRP 238.A O no hydrogen 3.057 N/A ARG 222.A NH1 HIS 224.A O no hydrogen 3.304 N/A ARG 222.A NH1 ALA 226.A O no hydrogen 3.009 N/A ALA 226.A N PRO 223.A O no hydrogen 3.084 N/A ILE 230.A N SER 227.A OG no hydrogen 3.148 N/A TYR 231.A N SER 227.A O no hydrogen 3.017 N/A TYR 231.A OH LEU 220.A O no hydrogen 2.610 N/A GLN 232.A N ASP 228.A O no hydrogen 3.011 N/A GLN 232.A NE2 ASP 228.A O no hydrogen 3.468 N/A ILE 233.A N THR 229.A O no hydrogen 3.145 N/A MET 234.A N ILE 230.A O no hydrogen 2.905 N/A TYR 235.A N TYR 231.A O no hydrogen 2.820 N/A SER 236.A N GLN 232.A O no hydrogen 3.087 N/A SER 236.A OG ILE 233.A O no hydrogen 2.670 N/A CYS 237.A N MET 234.A O no hydrogen 3.224 N/A CYS 237.A SG ILE 233.A O no hydrogen 3.551 N/A TRP 238.A N TYR 235.A O no hydrogen 2.804 N/A LEU 241.A N HIS 239.A ND1 no hydrogen 3.018 N/A GLU 243.A N GLU 243.A OE1 no hydrogen 2.870 N/A LYS 244.A N LEU 241.A O no hydrogen 3.045 N/A ARG 245.A N PRO 242.A O no hydrogen 3.019 N/A ARG 245.A NE HIS 239.A O no hydrogen 2.742 N/A ARG 245.A NH1 GLU 171.A OE1 no hydrogen 3.525 N/A ARG 245.A NH1 GLU 171.A OE2 no hydrogen 2.974 N/A ARG 245.A NH1 LYS 181.A O no hydrogen 2.901 N/A ARG 245.A NH2 GLU 171.A OE1 no hydrogen 2.725 N/A ARG 245.A NH2 HIS 239.A O no hydrogen 3.329 N/A ARG 245.A NH2 GLU 240.A O no hydrogen 3.179 N/A THR 247.A N GLN 250.A OE1 no hydrogen 3.049 N/A PHE 248.A N GLU 117.A OE1 no hydrogen 2.908 N/A GLN 249.A N GLU 117.A OE2 no hydrogen 3.243 N/A GLN 250.A N THR 247.A OG1 no hydrogen 2.999 N/A LEU 251.A N THR 247.A O no hydrogen 2.915 N/A LEU 252.A N PHE 248.A O no hydrogen 2.878 N/A SER 253.A N GLN 249.A O no hydrogen 3.141 N/A SER 253.A OG GLN 250.A O no hydrogen 3.294 N/A SER 254.A N GLN 250.A O no hydrogen 2.981 N/A SER 254.A OG GLN 250.A O no hydrogen 3.212 N/A ILE 255.A N LEU 251.A O no hydrogen 2.886 N/A GLU 256.A N LEU 252.A O no hydrogen 3.006 N/A LEU 258.A N ILE 255.A O no hydrogen 3.202 N/A ARG 259.A N GLU 256.A O no hydrogen 3.047 N/A