Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4s1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 ASP 75.A OD2 no hydrogen 2.739 N/A ASN 3.A ND2 LEU 72.A O no hydrogen 3.067 N/A LYS 4.A N GLN 32.A O no hydrogen 2.827 N/A VAL 5.A N GLN 32.A O no hydrogen 3.230 N/A LEU 6.A N PHE 78.A O no hydrogen 2.997 N/A THR 7.A N ILE 34.A O no hydrogen 2.870 N/A THR 7.A OG1 ASN 19.A OD1 no hydrogen 2.632 N/A THR 7.A OG1 TYR 222.A OH no hydrogen 2.748 N/A ILE 8.A N VAL 80.A O no hydrogen 2.894 N/A SER 9.A N VAL 36.A O no hydrogen 3.296 N/A TYR 11.A N THR 39.A OG1 no hydrogen 2.918 N/A CYS 13.A N LEU 41.A O no hydrogen 2.895 N/A CYS 13.A SG HIS 40.A NE2 no hydrogen 3.545 N/A CYS 13.A SG LEU 41.A O no hydrogen 3.403 N/A SER 14.A N ALA 42.A O no hydrogen 3.062 N/A GLY 18.A N ASP 218.A OD2 no hydrogen 2.855 N/A ASN 19.A N SER 10.A O no hydrogen 2.721 N/A ASN 19.A ND2 THR 7.A O no hydrogen 2.998 N/A ARG 20.A N VAL 17.A O no hydrogen 3.022 N/A CYS 21.A N VAL 17.A O no hydrogen 3.443 N/A GLY 22.A N GLY 18.A O no hydrogen 3.062 N/A MET 23.A N ASN 19.A O no hydrogen 2.817 N/A ILE 24.A N ARG 20.A O no hydrogen 3.271 N/A ILE 25.A N CYS 21.A O no hydrogen 3.017 N/A LEU 26.A N GLY 22.A O no hydrogen 2.830 N/A ASP 27.A N MET 23.A O no hydrogen 2.920 N/A SER 28.A N ILE 24.A O no hydrogen 3.027 N/A PHE 29.A N ILE 25.A O no hydrogen 2.950 N/A GLN 30.A N ASP 27.A O no hydrogen 2.890 N/A ILE 31.A N LEU 26.A O no hydrogen 3.003 N/A SER 33.A OG ILE 31.A O no hydrogen 2.933 N/A ILE 34.A N VAL 5.A O no hydrogen 2.759 N/A VAL 36.A N THR 7.A O no hydrogen 2.965 N/A THR 38.A N SER 9.A O no hydrogen 2.872 N/A THR 38.A OG1 TYR 83.A O no hydrogen 2.682 N/A THR 39.A OG1 TYR 11.A O no hydrogen 2.909 N/A HIS 40.A N SER 53.A O no hydrogen 2.958 N/A LEU 41.A N TYR 11.A O no hydrogen 3.100 N/A ALA 42.A N GLY 51.A O no hydrogen 2.903 N/A ASN 43.A ND2 HIS 44.A O no hydrogen 3.121 N/A ASN 43.A ND2 VAL 49.A O no hydrogen 3.136 N/A HIS 44.A NE2 GLU 257.A OE2 no hydrogen 2.793 N/A GLY 46.A N HIS 44.A ND1 no hydrogen 3.055 N/A TYR 47.A N HIS 44.A O no hydrogen 3.530 N/A VAL 55.A N THR 38.A O no hydrogen 2.933 N/A PHE 60.A N LEU 56.A O no hydrogen 2.905 N/A ILE 61.A N LEU 57.A O no hydrogen 2.893 N/A SER 62.A N ASN 58.A O no hydrogen 2.992 N/A ILE 63.A N ASP 59.A O no hydrogen 2.895 N/A MET 64.A N PHE 60.A O no hydrogen 2.924 N/A ASP 65.A N ILE 61.A O no hydrogen 2.844 N/A SER 66.A N SER 62.A O no hydrogen 2.996 N/A LEU 67.A N ILE 63.A O no hydrogen 2.964 N/A GLU 68.A N MET 64.A O no hydrogen 3.082 N/A VAL 69.A N ASP 65.A O no hydrogen 3.017 N/A ASN 70.A N SER 66.A O no hydrogen 3.055 N/A HIS 71.A N GLU 68.A O no hydrogen 3.072 N/A LEU 72.A N LEU 67.A O no hydrogen 2.945 N/A LYS 74.A N HIS 71.A O no hydrogen 3.386 N/A ILE 76.A N ASP 73.A O no hydrogen 3.260 N/A GLU 77.A N LYS 4.A O no hydrogen 2.862 N/A PHE 78.A N LYS 4.A O no hydrogen 3.103 N/A LEU 79.A N TYR 107.A O no hydrogen 2.908 N/A VAL 80.A N LEU 6.A O no hydrogen 2.881 N/A THR 81.A N LEU 109.A O no hydrogen 3.259 N/A GLY 82.A N ILE 8.A O no hydrogen 2.935 N/A TYR 83.A N SER 9.A OG no hydrogen 2.927 N/A SER 86.A OG ASP 88.A OD1 no hydrogen 2.563 N/A SER 87.A N GLU 125.A OE2 no hydrogen 2.957 N/A TYR 91.A N SER 87.A O no hydrogen 2.985 N/A GLU 92.A N ASP 88.A O no hydrogen 3.046 N/A THR 93.A N LEU 89.A O no hydrogen 2.824 N/A THR 93.A OG1 LEU 89.A O no hydrogen 2.792 N/A ILE 94.A N VAL 90.A O no hydrogen 2.957 N/A ASN 95.A N TYR 91.A O no hydrogen 3.188 N/A ASN 95.A ND2 GLU 92.A OE1 no hydrogen 3.119 N/A ARG 96.A N GLU 92.A O no hydrogen 3.087 N/A ARG 96.A NE GLU 92.A OE2 no hydrogen 2.794 N/A ARG 96.A NH1 ASP 65.A OD1 no hydrogen 2.784 N/A ARG 96.A NH2 ASP 65.A OD1 no hydrogen 2.783 N/A ARG 96.A NH2 GLU 92.A OE2 no hydrogen 3.038 N/A VAL 97.A N THR 93.A O no hydrogen 2.719 N/A LYS 98.A N ILE 94.A O no hydrogen 2.908 N/A ARG 99.A N ASN 95.A O no hydrogen 3.127 N/A ILE 100.A N ARG 96.A O no hydrogen 2.860 N/A LYS 101.A N VAL 97.A O no hydrogen 2.866 N/A LYS 101.A NZ VAL 106.A O no hydrogen 2.853 N/A LYS 101.A NZ ASP 138.A OD2 no hydrogen 2.774 N/A ASP 102.A N LYS 98.A O no hydrogen 2.942 N/A ASN 103.A N ILE 100.A O no hydrogen 3.138 N/A LYS 104.A N ILE 100.A O no hydrogen 3.219 N/A LYS 104.A NZ LYS 74.A O no hydrogen 3.219 N/A LYS 104.A NZ ILE 76.A O no hydrogen 3.162 N/A TYR 107.A N GLU 77.A O no hydrogen 2.908 N/A PHE 108.A N ASP 138.A OD2 no hydrogen 2.836 N/A LEU 109.A N LEU 79.A O no hydrogen 2.869 N/A CYS 110.A N ILE 139.A O no hydrogen 3.012 N/A CYS 110.A SG THR 81.A OG1 no hydrogen 3.515 N/A ASP 111.A N THR 81.A O no hydrogen 2.917 N/A ILE 113.A N ASP 111.A O no hydrogen 2.857 N/A LEU 114.A N GLU 146.A OE2 no hydrogen 2.880 N/A GLY 115.A N GLU 146.A OE2 no hydrogen 3.252 N/A ASP 116.A N LYS 119.A O no hydrogen 3.005 N/A ASN 117.A N ASP 116.A OD1 no hydrogen 2.699 N/A GLY 118.A N THR 145.A OG1 no hydrogen 2.856 N/A LYS 119.A N ASP 116.A O no hydrogen 3.028 N/A TYR 121.A N LEU 114.A O no hydrogen 2.886 N/A THR 122.A OG1 LEU 114.A O no hydrogen 2.971 N/A LYS 123.A NZ PRO 85.A O no hydrogen 3.084 N/A VAL 126.A N LYS 123.A O no hydrogen 3.007 N/A GLN 127.A N LYS 123.A O no hydrogen 3.160 N/A GLN 127.A NE2 THR 122.A O no hydrogen 3.063 N/A ASP 128.A N SER 124.A O no hydrogen 3.098 N/A SER 129.A N GLU 125.A O no hydrogen 3.068 N/A SER 129.A OG GLU 125.A O no hydrogen 3.450 N/A SER 129.A OG VAL 126.A O no hydrogen 2.847 N/A MET 130.A N VAL 126.A O no hydrogen 2.793 N/A GLU 132.A N SER 129.A O no hydrogen 3.017 N/A LEU 133.A N SER 129.A O no hydrogen 3.129 N/A ILE 134.A N MET 130.A O no hydrogen 3.087 N/A LYS 135.A N GLU 132.A O no hydrogen 3.137 N/A LYS 135.A NZ GLN 171.A OE1 no hydrogen 3.134 N/A TYR 136.A N LEU 133.A O no hydrogen 3.100 N/A ALA 137.A N ILE 134.A O no hydrogen 3.112 N/A ASP 138.A N PHE 108.A O no hydrogen 2.813 N/A ILE 139.A N PHE 108.A O no hydrogen 3.240 N/A ILE 140.A N VAL 175.A O no hydrogen 3.049 N/A THR 141.A N CYS 110.A O no hydrogen 3.181 N/A ASN 143.A N GLU 146.A OE1 no hydrogen 2.938 N/A ASN 143.A ND2 GLY 115.A O no hydrogen 2.840 N/A ALA 144.A N THR 179.A O no hydrogen 3.065 N/A GLU 146.A N ASN 143.A OD1 no hydrogen 2.815 N/A LEU 147.A N ASN 143.A O no hydrogen 2.905 N/A SER 148.A N ALA 144.A O no hydrogen 2.948 N/A SER 148.A OG LEU 153.A O no hydrogen 2.520 N/A PHE 149.A N THR 145.A O no hydrogen 3.032 N/A LEU 150.A N GLU 146.A O no hydrogen 2.880 N/A THR 151.A N LEU 147.A O no hydrogen 3.137 N/A THR 151.A OG1 LEU 147.A O no hydrogen 2.832 N/A LEU 153.A N THR 151.A OG1 no hydrogen 3.277 N/A ASN 156.A N GLU 160.A OE1 no hydrogen 2.799 N/A ASN 156.A ND2 GLU 154.A OE1 no hydrogen 3.142 N/A SER 157.A OG SER 159.A OG no hydrogen 3.357 N/A SER 159.A OG SER 157.A OG no hydrogen 3.357 N/A GLU 160.A N SER 157.A OG no hydrogen 3.157 N/A ALA 161.A N SER 157.A O no hydrogen 2.976 N/A ILE 162.A N VAL 158.A O no hydrogen 2.812 N/A LYS 163.A N SER 159.A O no hydrogen 3.186 N/A ALA 164.A N GLU 160.A O no hydrogen 2.938 N/A CYS 165.A N ALA 161.A O no hydrogen 2.878 N/A CYS 165.A SG ALA 161.A O no hydrogen 3.314 N/A HIS 166.A N ILE 162.A O no hydrogen 2.999 N/A ILE 167.A N LYS 163.A O no hydrogen 3.388 N/A LEU 168.A N ALA 164.A O no hydrogen 3.474 N/A HIS 169.A N CYS 165.A O no hydrogen 2.796 N/A HIS 169.A ND1 ILE 173.A O no hydrogen 2.772 N/A HIS 169.A NE2 SER 192.A OG no hydrogen 2.754 N/A GLU 170.A N HIS 166.A O no hydrogen 2.893 N/A GLN 171.A N LEU 168.A O no hydrogen 3.052 N/A GLY 172.A N HIS 169.A O no hydrogen 2.878 N/A ILE 173.A N LEU 168.A O no hydrogen 3.302 N/A ILE 176.A N SER 192.A O no hydrogen 2.880 N/A LEU 177.A N ILE 140.A O no hydrogen 2.952 N/A VAL 178.A N LEU 190.A O no hydrogen 2.792 N/A THR 179.A N PRO 142.A O no hydrogen 2.962 N/A THR 179.A OG1 PRO 142.A O no hydrogen 3.502 N/A ILE 181.A N ILE 188.A O no hydrogen 2.903 N/A LYS 182.A NZ SER 180.A O no hydrogen 3.533 N/A GLU 183.A N ASP 186.A O no hydrogen 3.064 N/A ASP 186.A N GLU 183.A O no hydrogen 2.681 N/A ILE 187.A N ILE 206.A O no hydrogen 2.926 N/A ILE 188.A N ILE 181.A O no hydrogen 2.885 N/A LEU 189.A N ILE 204.A O no hydrogen 2.968 N/A LEU 190.A N VAL 178.A O no hydrogen 2.927 N/A CYS 191.A N PHE 202.A O no hydrogen 2.746 N/A SER 192.A N ILE 176.A O no hydrogen 2.804 N/A SER 192.A OG HIS 169.A NE2 no hydrogen 2.754 N/A PHE 193.A N ASN 201.A OD1 no hydrogen 2.848 N/A LYS 194.A N PRO 174.A O no hydrogen 2.906 N/A LYS 194.A NZ HIS 169.A O no hydrogen 3.019 N/A LEU 197.A N ASP 195.A OD1 no hydrogen 3.231 N/A ASN 198.A ND2 ASP 195.A OD1 no hydrogen 3.507 N/A ASN 198.A ND2 ASP 195.A OD2 no hydrogen 2.707 N/A ASN 199.A ND2 ASP 195.A O no hydrogen 2.864 N/A PHE 202.A N CYS 191.A O no hydrogen 3.101 N/A THR 203.A N THR 277.A O no hydrogen 2.837 N/A ILE 204.A N LEU 189.A O no hydrogen 2.973 N/A ILE 206.A N ILE 187.A O no hydrogen 2.819 N/A ARG 208.A N ASN 185.A O no hydrogen 3.301 N/A ARG 208.A NH1 GLU 210.A OE2 no hydrogen 3.049 N/A ARG 208.A NH2 ASN 185.A OD1 no hydrogen 3.221 N/A ARG 208.A NH2 GLU 210.A OE2 no hydrogen 3.360 N/A ASP 212.A N GLY 254.A O no hydrogen 3.041 N/A THR 214.A N ASP 212.A OD1 no hydrogen 2.858 N/A THR 214.A OG1 ASP 212.A OD1 no hydrogen 2.790 N/A VAL 216.A N PHE 213.A O no hydrogen 2.930 N/A THR 219.A N GLY 215.A O no hydrogen 2.936 N/A THR 219.A OG1 GLY 215.A O no hydrogen 2.813 N/A LEU 220.A N VAL 216.A O no hydrogen 2.981 N/A THR 221.A N GLY 217.A O no hydrogen 2.961 N/A THR 221.A OG1 ASP 111.A OD2 no hydrogen 2.882 N/A THR 221.A OG1 GLY 217.A O no hydrogen 3.201 N/A TYR 222.A N ASP 218.A O no hydrogen 3.132 N/A TYR 222.A OH THR 7.A OG1 no hydrogen 2.748 N/A ILE 223.A N THR 219.A O no hydrogen 3.037 N/A LEU 224.A N LEU 220.A O no hydrogen 2.790 N/A LEU 225.A N THR 221.A O no hydrogen 2.881 N/A SER 226.A N TYR 222.A O no hydrogen 2.945 N/A SER 226.A OG TYR 222.A O no hydrogen 2.872 N/A TRP 227.A N ILE 223.A O no hydrogen 3.057 N/A ILE 228.A N LEU 224.A O no hydrogen 2.923 N/A ILE 229.A N LEU 225.A O no hydrogen 2.819 N/A LYS 230.A N SER 226.A O no hydrogen 2.967 N/A LYS 230.A NZ PHE 29.A O no hydrogen 2.937 N/A GLY 231.A N ILE 228.A O no hydrogen 2.944 N/A ILE 232.A N TRP 227.A O no hydrogen 2.987 N/A HIS 236.A ND1 GLU 272.A OE1 no hydrogen 2.700 N/A ALA 237.A N PRO 233.A O no hydrogen 2.928 N/A VAL 238.A N LEU 234.A O no hydrogen 2.860 N/A ASN 239.A N GLU 235.A O no hydrogen 3.102 N/A ASN 239.A ND2 PHE 274.A O no hydrogen 2.862 N/A ARG 240.A N HIS 236.A O no hydrogen 2.904 N/A ARG 240.A NE GLU 272.A OE2 no hydrogen 3.100 N/A ALA 241.A N ALA 237.A O no hydrogen 3.006 N/A ILE 242.A N VAL 238.A O no hydrogen 2.917 N/A SER 243.A N ASN 239.A O no hydrogen 2.851 N/A SER 243.A OG ASN 239.A O no hydrogen 2.752 N/A SER 243.A OG ASN 239.A OD1 no hydrogen 3.245 N/A THR 244.A N ARG 240.A O no hydrogen 2.830 N/A THR 244.A OG1 ARG 240.A O no hydrogen 3.108 N/A LEU 245.A N ALA 241.A O no hydrogen 2.965 N/A GLN 246.A N ILE 242.A O no hydrogen 2.924 N/A GLN 246.A NE2 PRO 207.A O no hydrogen 3.511 N/A THR 247.A N SER 243.A O no hydrogen 2.996 N/A THR 247.A OG1 SER 243.A O no hydrogen 3.084 N/A ILE 248.A N THR 244.A O no hydrogen 2.864 N/A LEU 249.A N LEU 245.A O no hydrogen 2.874 N/A ARG 250.A N GLN 246.A O no hydrogen 2.889 N/A ASN 251.A N THR 247.A O no hydrogen 3.214 N/A ASN 251.A N ILE 248.A O no hydrogen 3.125 N/A ASN 251.A ND2 THR 247.A O no hydrogen 2.825 N/A THR 252.A N LEU 249.A O no hydrogen 3.080 N/A THR 252.A OG1 ILE 248.A O no hydrogen 2.761 N/A ALA 256.A N VAL 253.A O no hydrogen 2.898 N/A ASN 262.A N ASN 259.A OD1 no hydrogen 2.918 N/A CYS 263.A N ASN 259.A O no hydrogen 3.199 N/A CYS 263.A N ILE 260.A O no hydrogen 3.100 N/A ILE 264.A N ILE 261.A O no hydrogen 3.288 N/A TYR 266.A N CYS 263.A O no hydrogen 2.842 N/A LEU 267.A N ILE 264.A O no hydrogen 3.041 N/A GLY 269.A N TYR 266.A O no hydrogen 2.987 N/A SER 273.A N SER 243.A OG no hydrogen 2.801 N/A SER 273.A OG SER 243.A OG no hydrogen 3.364 N/A PHE 274.A N ASN 239.A OD1 no hydrogen 3.204 N/A THR 277.A N THR 203.A O no hydrogen 2.994 N/A TYR 278.A OH GLU 235.A OE1 no hydrogen 2.728 N/A TYR 278.A OH GLU 235.A OE2 no hydrogen 2.664 N/A ILE 279.A N ASN 201.A O no hydrogen 3.211 N/A