Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ne7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N THR 235.A O no hydrogen 3.113 N/A ILE 4.A N PHE 237.A O no hydrogen 2.681 N/A LEU 6.A N CYS 239.A O.A no hydrogen 2.840 N/A LEU 6.A N CYS 239.A O.B no hydrogen 2.834 N/A TYR 9.A OH THR 44.A O no hydrogen 2.697 N/A ALA 12.A N HIS 8.A O no hydrogen 3.005 N/A SER 13.A N TYR 9.A O no hydrogen 2.818 N/A SER 13.A OG TYR 9.A O no hydrogen 2.847 N/A GLU 14.A N SER 10.A O no hydrogen 2.964 N/A TRP 15.A N GLN 11.A O no hydrogen 2.914 N/A TRP 15.A NE1 ASN 263.A OD1 no hydrogen 3.062 N/A ALA 16.A N ALA 12.A O no hydrogen 3.122 N/A ALA 17.A N SER 13.A O no hydrogen 3.022 N/A LYS 18.A N GLU 14.A O no hydrogen 2.829 N/A TYR 19.A N TRP 15.A O no hydrogen 2.925 N/A TYR 19.A OH GLU 198.A OE1 no hydrogen 3.217 N/A TYR 19.A OH GLU 198.A OE2 no hydrogen 2.424 N/A ILE 20.A N ALA 16.A O no hydrogen 3.049 N/A ARG 21.A N ALA 17.A O no hydrogen 2.916 N/A ARG 21.A NE TYR 270.A O no hydrogen 2.741 N/A ARG 21.A NH2 TYR 270.A O no hydrogen 2.885 N/A ASN 22.A N LYS 18.A O no hydrogen 2.888 N/A ASN 22.A ND2 LEU 265.A O no hydrogen 2.966 N/A ASN 22.A ND2 PRO 268.A O no hydrogen 3.041 N/A ARG 23.A N TYR 19.A O no hydrogen 2.874 N/A ARG 23.A NE GLU 198.A OE1 no hydrogen 2.681 N/A ARG 23.A NH1 GLU 132.A OE2 no hydrogen 3.009 N/A ARG 23.A NH2 GLU 132.A OE2 no hydrogen 2.936 N/A ARG 23.A NH2 GLU 198.A OE1 no hydrogen 2.780 N/A ILE 24.A N ILE 20.A O no hydrogen 2.945 N/A ILE 25.A N ARG 21.A O no hydrogen 3.005 N/A GLN 26.A N ASN 22.A O no hydrogen 2.868 N/A PHE 27.A N ARG 23.A O no hydrogen 2.954 N/A ASN 28.A N ILE 24.A O no hydrogen 2.926 N/A GLY 30.A N LYS 33.A O no hydrogen 2.895 N/A LYS 33.A N GLY 30.A O no hydrogen 3.005 N/A LYS 33.A NZ PHE 27.A O no hydrogen 3.087 N/A LYS 33.A NZ ASN 28.A O no hydrogen 3.082 N/A PHE 35.A N TYR 65.A O no hydrogen 3.042 N/A THR 36.A OG1 GLY 130.A O no hydrogen 2.614 N/A LEU 37.A N LYS 67.A O no hydrogen 2.772 N/A GLY 38.A N LEU 133.A O no hydrogen 2.864 N/A LEU 39.A N PHE 69.A O no hydrogen 2.900 N/A LEU 46.A N SER 43.A O.A no hydrogen 3.378 N/A LEU 46.A N SER 43.A O.B no hydrogen 3.364 N/A GLY 47.A N TYR 9.A OH no hydrogen 2.915 N/A TYR 49.A N PRO 45.A O no hydrogen 2.892 N/A TYR 49.A OH PRO 40.A O no hydrogen 2.650 N/A LYS 50.A N LEU 46.A O no hydrogen 2.891 N/A LYS 51.A N GLY 47.A O no hydrogen 3.174 N/A LYS 51.A NZ GLU 54.A OE1 no hydrogen 3.188 N/A LEU 52.A N CYS 48.A O no hydrogen 2.977 N/A ILE 53.A N TYR 49.A O no hydrogen 2.964 N/A GLU 54.A N LYS 50.A O no hydrogen 3.010 N/A TYR 55.A N LYS 51.A O no hydrogen 2.891 N/A TYR 56.A N LEU 52.A O no hydrogen 3.008 N/A LYS 57.A N ILE 53.A O no hydrogen 2.836 N/A ASN 58.A N GLU 54.A O no hydrogen 2.965 N/A GLY 59.A N TYR 56.A O no hydrogen 2.904 N/A ASP 60.A N TYR 55.A O no hydrogen 2.974 N/A SER 62.A OG ASP 98.A OD2 no hydrogen 2.643 N/A PHE 63.A N ASP 98.A OD1 no hydrogen 2.819 N/A LYS 64.A N SER 62.A OG no hydrogen 3.227 N/A LYS 64.A NZ TYR 65.A OH no hydrogen 3.523 N/A VAL 66.A N PHE 63.A O no hydrogen 3.077 N/A LYS 67.A N PHE 35.A O no hydrogen 2.950 N/A THR 68.A N ASN 103.A O no hydrogen 2.845 N/A PHE 69.A N LEU 37.A O no hydrogen 2.962 N/A ASN 70.A N HIS 105.A O no hydrogen 2.960 N/A MET 71.A N LEU 39.A O no hydrogen 2.945 N/A GLU 73.A N LEU 186.A O no hydrogen 3.051 N/A TYR 74.A N GLU 73.A OE1 no hydrogen 2.679 N/A VAL 75.A N MET 184.A O no hydrogen 2.972 N/A GLY 76.A N GLY 109.A O no hydrogen 2.897 N/A HIS 81.A N PRO 78.A O no hydrogen 2.858 N/A GLU 83.A N HIS 81.A ND1 no hydrogen 2.853 N/A SER 84.A N HIS 81.A O no hydrogen 3.030 N/A SER 84.A OG ARG 79.A O no hydrogen 2.779 N/A SER 84.A OG HIS 81.A O no hydrogen 3.185 N/A SER 84.A OG SER 87.A OG no hydrogen 2.913 N/A TYR 85.A N GLU 73.A OE1 no hydrogen 2.900 N/A HIS 86.A N GLU 73.A OE2 no hydrogen 3.073 N/A HIS 86.A ND1 GLU 73.A OE2 no hydrogen 2.689 N/A SER 87.A N SER 84.A OG no hydrogen 2.959 N/A SER 87.A OG ARG 79.A O no hydrogen 2.989 N/A SER 87.A OG HIS 81.A O no hydrogen 2.736 N/A SER 87.A OG SER 84.A OG no hydrogen 2.913 N/A PHE 88.A N SER 84.A O no hydrogen 3.038 N/A MET 89.A N TYR 85.A O no hydrogen 3.044 N/A TRP 90.A N HIS 86.A O no hydrogen 2.958 N/A ASN 91.A N SER 87.A O no hydrogen 2.969 N/A ASN 91.A ND2 SER 87.A O no hydrogen 3.106 N/A ASN 92.A N PHE 88.A O no hydrogen 2.894 N/A ASN 92.A ND2 PHE 88.A O no hydrogen 3.050 N/A PHE 93.A N MET 89.A O no hydrogen 3.050 N/A PHE 94.A N MET 89.A O no hydrogen 2.871 N/A LYS 95.A N TRP 90.A O no hydrogen 3.028 N/A LYS 95.A NZ ASN 91.A OD1 no hydrogen 2.907 N/A HIS 96.A N PHE 93.A O no hydrogen 2.980 N/A HIS 96.A NE2 ASN 91.A O no hydrogen 2.908 N/A ILE 97.A N PHE 94.A O no hydrogen 3.205 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.578 N/A ASN 103.A N HIS 100.A O no hydrogen 2.817 N/A THR 104.A N PRO 101.A O no hydrogen 3.291 N/A THR 104.A OG1 PRO 101.A O no hydrogen 2.933 N/A HIS 105.A N THR 68.A O no hydrogen 2.827 N/A ASP 108.A N GLU 117.A OE2 no hydrogen 2.891 N/A ASN 110.A N ASP 108.A OD1 no hydrogen 2.988 N/A ASN 110.A ND2 LEU 77.A O no hydrogen 2.916 N/A ALA 111.A N ASP 108.A O no hydrogen 3.305 N/A GLN 115.A NE2 ASP 119.A OD1 no hydrogen 2.659 N/A GLN 115.A NE2 THR 157.A O no hydrogen 3.692 N/A ALA 116.A N ASP 113.A OD1 no hydrogen 2.945 N/A GLU 117.A N ASP 113.A O no hydrogen 3.083 N/A CYS 118.A N LEU 114.A O no hydrogen 2.944 N/A CYS 118.A SG LEU 114.A O no hydrogen 3.413 N/A ASP 119.A N GLN 115.A O no hydrogen 2.857 N/A ALA 120.A N ALA 116.A O no hydrogen 2.903 N/A PHE 121.A N GLU 117.A O no hydrogen 3.083 N/A PHE 121.A N CYS 118.A O no hydrogen 3.030 N/A GLU 122.A N CYS 118.A O no hydrogen 3.196 N/A GLU 123.A N ASP 119.A O no hydrogen 3.103 N/A LYS 124.A N.A ALA 120.A O no hydrogen 3.014 N/A LYS 124.A N.B ALA 120.A O no hydrogen 3.016 N/A LYS 124.A N.B PHE 121.A O no hydrogen 3.132 N/A ILE 125.A N PHE 121.A O no hydrogen 3.060 N/A LYS 126.A N GLU 122.A O no hydrogen 2.998 N/A ALA 127.A N GLU 123.A O no hydrogen 2.852 N/A ALA 128.A N LYS 124.A O.A no hydrogen 2.946 N/A ALA 128.A N LYS 124.A O.B no hydrogen 2.940 N/A ALA 128.A N ILE 125.A O no hydrogen 3.183 N/A GLY 129.A N LYS 126.A O no hydrogen 2.932 N/A GLY 130.A N ILE 125.A O no hydrogen 2.926 N/A GLU 132.A N THR 36.A O no hydrogen 3.038 N/A GLU 132.A N THR 36.A OG1 no hydrogen 2.846 N/A LEU 133.A N THR 36.A O no hydrogen 3.283 N/A PHE 134.A N GLU 198.A O no hydrogen 2.863 N/A VAL 135.A N GLY 38.A O no hydrogen 2.806 N/A GLY 136.A N MET 200.A O no hydrogen 2.830 N/A GLY 139.A N HIS 143.A O no hydrogen 3.114 N/A GLY 142.A N GLY 139.A O no hydrogen 2.758 N/A HIS 143.A N ASP 141.A OD1 no hydrogen 3.076 N/A HIS 143.A ND1 GLU 148.A OE1 no hydrogen 2.627 N/A ILE 144.A N THR 225.A OG1 no hydrogen 3.074 N/A PHE 146.A N THR 187.A OG1 no hydrogen 2.962 N/A ASN 147.A N ILE 144.A O no hydrogen 2.991 N/A ASN 147.A ND2 ILE 144.A O no hydrogen 2.935 N/A ASN 147.A ND2 VAL 188.A O no hydrogen 2.990 N/A GLY 150.A N HIS 222.A O no hydrogen 2.776 N/A SER 151.A OG GLU 148.A O no hydrogen 2.564 N/A VAL 154.A N SER 152.A OG no hydrogen 3.158 N/A SER 155.A N SER 152.A O no hydrogen 3.280 N/A SER 155.A OG ASN 147.A OD1 no hydrogen 3.308 N/A SER 155.A OG SER 152.A O no hydrogen 2.797 N/A ARG 156.A NH1 ASP 195.A OD2 no hydrogen 2.708 N/A ARG 156.A NH2 GLU 122.A OE1 no hydrogen 2.905 N/A ARG 156.A NH2 ASP 195.A OD2 no hydrogen 3.132 N/A THR 157.A N GLU 122.A OE2 no hydrogen 2.838 N/A THR 157.A OG1 GLU 122.A OE2 no hydrogen 2.838 N/A ARG 158.A N THR 187.A O no hydrogen 2.949 N/A ARG 158.A NH1 ASN 147.A OD1 no hydrogen 2.917 N/A ARG 158.A NH1 ARG 156.A O no hydrogen 3.037 N/A ARG 158.A NH2 ASN 147.A OD1 no hydrogen 2.829 N/A LYS 160.A N ALA 185.A O no hydrogen 2.933 N/A LYS 160.A NZ SER 151.A OG no hydrogen 3.088 N/A LEU 162.A N THR 183.A O no hydrogen 3.070 N/A ALA 163.A N GLU 148.A OE2 no hydrogen 2.893 N/A THR 166.A OG1 GLU 148.A OE2 no hydrogen 2.601 N/A ILE 167.A N ALA 163.A O no hydrogen 3.038 N/A LEU 168.A N MET 164.A O no hydrogen 2.879 N/A ALA 169.A N ASP 165.A O no hydrogen 2.826 N/A ASN 170.A N THR 166.A O no hydrogen 2.876 N/A ASN 170.A N ILE 167.A O no hydrogen 3.220 N/A ASN 170.A ND2 TYR 74.A OH no hydrogen 2.844 N/A ALA 171.A N LEU 168.A O no hydrogen 3.230 N/A ARG 172.A NH1.B ALA 169.A O no hydrogen 2.457 N/A PHE 173.A N ASN 170.A O no hydrogen 2.946 N/A PHE 174.A N ALA 171.A O no hydrogen 3.366 N/A GLU 177.A N PHE 174.A O no hydrogen 2.926 N/A LYS 180.A N GLU 177.A O no hydrogen 3.328 N/A VAL 181.A N LEU 178.A O no hydrogen 2.745 N/A ALA 185.A N LYS 160.A O no hydrogen 2.942 N/A LEU 186.A N GLU 73.A O no hydrogen 2.765 N/A THR 187.A N ARG 158.A O no hydrogen 2.946 N/A THR 187.A OG1 VAL 188.A O no hydrogen 2.969 N/A VAL 188.A N MET 71.A O no hydrogen 2.814 N/A GLY 189.A N THR 192.A OG1 no hydrogen 2.982 N/A VAL 190.A N SER 155.A OG no hydrogen 2.919 N/A GLY 191.A N SER 155.A O no hydrogen 2.804 N/A THR 192.A OG1 GLU 122.A OE2 no hydrogen 2.615 N/A VAL 193.A N GLY 189.A O no hydrogen 3.184 N/A MET 194.A N VAL 190.A O no hydrogen 2.898 N/A ASP 195.A N GLY 191.A O no hydrogen 2.997 N/A ALA 196.A N VAL 193.A O no hydrogen 2.989 N/A ARG 197.A N ILE 131.A O no hydrogen 2.912 N/A ARG 197.A NH1 ILE 131.A O no hydrogen 2.692 N/A VAL 199.A N ARG 234.A O no hydrogen 2.986 N/A MET 200.A N PHE 134.A O no hydrogen 2.841 N/A ILE 201.A N VAL 236.A O no hydrogen 2.762 N/A LEU 202.A N.A GLY 136.A O no hydrogen 2.876 N/A LEU 202.A N.B GLY 136.A O no hydrogen 2.872 N/A ILE 203.A N.A VAL 238.A O no hydrogen 2.808 N/A ILE 203.A N.B VAL 238.A O no hydrogen 2.811 N/A GLY 205.A N ASP 240.A OD1 no hydrogen 3.081 N/A LYS 208.A N GLY 205.A O no hydrogen 3.065 N/A LYS 208.A NZ ILE 138.A O no hydrogen 2.729 N/A ALA 209.A N ALA 206.A O no hydrogen 3.149 N/A LEU 212.A N LYS 208.A O no hydrogen 2.970 N/A TYR 213.A N ALA 209.A O no hydrogen 2.999 N/A TYR 213.A OH GLU 218.A OE2 no hydrogen 2.770 N/A LYS 214.A N PHE 210.A O no hydrogen 2.946 N/A LYS 214.A NZ GLU 218.A OE1 no hydrogen 2.980 N/A LYS 214.A NZ GLU 218.A OE2 no hydrogen 3.173 N/A ALA 215.A N ALA 211.A O no hydrogen 2.878 N/A ILE 216.A N LEU 212.A O no hydrogen 2.889 N/A GLU 217.A N TYR 213.A O no hydrogen 2.815 N/A GLU 218.A N TYR 213.A O no hydrogen 3.238 N/A ASN 221.A N SER 227.A OG no hydrogen 2.904 N/A MET 223.A N ASN 221.A OD1 no hydrogen 2.759 N/A TRP 224.A N ASN 221.A O no hydrogen 3.064 N/A THR 225.A OG1 ASN 147.A O no hydrogen 2.808 N/A VAL 226.A N GLY 142.A O no hydrogen 2.976 N/A SER 227.A N TRP 224.A O no hydrogen 2.862 N/A SER 227.A OG ASN 221.A O no hydrogen 3.021 N/A SER 227.A OG TRP 224.A O no hydrogen 2.794 N/A ALA 228.A N THR 225.A O no hydrogen 3.026 N/A PHE 229.A N VAL 226.A O no hydrogen 3.141 N/A GLN 230.A N SER 227.A O no hydrogen 3.142 N/A GLN 230.A NE2 ALA 215.A O no hydrogen 2.902 N/A GLN 230.A NE2 GLU 218.A O no hydrogen 2.773 N/A GLN 231.A N ALA 228.A O no hydrogen 3.050 N/A HIS 232.A N PHE 229.A O no hydrogen 3.059 N/A HIS 232.A NE2 ALA 196.A O no hydrogen 2.783 N/A ARG 234.A N HIS 232.A ND1 no hydrogen 2.894 N/A THR 235.A OG1 HIS 232.A ND1 no hydrogen 3.229 N/A VAL 236.A N VAL 199.A O no hydrogen 2.755 N/A PHE 237.A N LYS 2.A O no hydrogen 2.821 N/A VAL 238.A N ILE 201.A O no hydrogen 2.833 N/A CYS 239.A N.A ILE 4.A O no hydrogen 2.892 N/A CYS 239.A N.B ILE 4.A O no hydrogen 2.881 N/A CYS 239.A SG.A ILE 4.A O no hydrogen 3.647 N/A CYS 239.A SG.A ASP 240.A O no hydrogen 3.700 N/A GLU 241.A N GLU 7.A O no hydrogen 3.437 N/A ALA 243.A N ASP 240.A O no hydrogen 3.115 N/A ALA 243.A N ASP 240.A OD1 no hydrogen 3.285 N/A THR 244.A N GLU 241.A O no hydrogen 2.980 N/A THR 244.A OG1 GLU 241.A O no hydrogen 2.702 N/A LEU 245.A N ASP 242.A O no hydrogen 3.508 N/A LEU 247.A N THR 244.A O no hydrogen 3.007 N/A LYS 248.A N GLU 217.A OE2 no hydrogen 3.059 N/A THR 251.A N LYS 248.A O no hydrogen 3.025 N/A VAL 252.A N LYS 248.A O no hydrogen 3.331 N/A LYS 253.A N VAL 249.A O no hydrogen 2.920 N/A TYR 254.A N LYS 250.A O no hydrogen 3.072 N/A PHE 255.A N THR 251.A O no hydrogen 3.161 N/A LYS 256.A N VAL 252.A O no hydrogen 2.814 N/A LYS 256.A NZ GLU 241.A OE1 no hydrogen 3.455 N/A LYS 256.A NZ GLU 241.A OE2 no hydrogen 2.716 N/A GLY 257.A N LYS 253.A O no hydrogen 2.971 N/A LEU 258.A N PHE 255.A O no hydrogen 2.984 N/A MET 259.A N LYS 256.A O no hydrogen 3.219 N/A HIS 262.A N LEU 258.A O no hydrogen 2.847 N/A ASN 263.A N MET 259.A O no hydrogen 2.772 N/A LYS 264.A N VAL 261.A O no hydrogen 3.125 N/A LEU 265.A N HIS 262.A O no hydrogen 3.017 N/A VAL 266.A N ASN 263.A O no hydrogen 3.030 N/A TYR 270.A N ASN 22.A OD1 no hydrogen 2.795 N/A SER 271.A OG ASP 60.A OD2 no hydrogen 2.589 N/A ILE 272.A N ASP 60.A O no hydrogen 3.097 N/A LYS 273.A N SER 271.A OG no hydrogen 3.123 N/A LYS 273.A NZ ASN 58.A O no hydrogen 2.898 N/A GLU 278.A N GLU 276.A OE2 no hydrogen 2.515 N/A LYS 279.A N THR 277.A O no hydrogen 2.916 N/A SER 280.A OG GLN 281.A OE1 no hydrogen 3.284 N/A