Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i8i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N THR 31.A O no hydrogen 2.825 N/A LYS 4.A N ASP 84.A OD2 no hydrogen 2.805 N/A VAL 5.A N ILE 32.A O no hydrogen 2.887 N/A LEU 6.A N TYR 85.A O no hydrogen 2.981 N/A ALA 7.A N GLY 34.A O no hydrogen 2.856 N/A ILE 8.A N SER 87.A O no hydrogen 2.941 N/A ASN 10.A N SER 13.A OG no hydrogen 3.015 N/A ASN 10.A ND2 CYS 40.A O no hydrogen 3.030 N/A SER 11.A OG HIS 189.A NE2 no hydrogen 2.597 N/A PHE 12.A N ASN 10.A OD1 no hydrogen 2.836 N/A SER 13.A OG ASN 10.A O no hydrogen 3.041 N/A SER 13.A OG ASN 35.A OD1 no hydrogen 2.707 N/A GLN 14.A N ASN 10.A O no hydrogen 3.013 N/A ASP 15.A N SER 11.A O no hydrogen 3.036 N/A ALA 16.A N SER 13.A O no hydrogen 3.045 N/A VAL 17.A N SER 13.A O no hydrogen 3.085 N/A GLU 18.A N GLN 14.A O no hydrogen 3.307 N/A GLN 19.A NE2 GLN 14.A O no hydrogen 2.856 N/A GLN 19.A NE2 ASP 15.A O no hydrogen 3.560 N/A LEU 21.A N GLN 19.A O no hydrogen 2.817 N/A GLU 23.A N GLU 23.A OE1 no hydrogen 2.790 N/A LEU 24.A N TYR 20.A O no hydrogen 2.889 N/A GLY 25.A N LEU 21.A O no hydrogen 3.040 N/A GLU 26.A N HIS 22.A O no hydrogen 2.858 N/A ALA 27.A N GLU 23.A O no hydrogen 3.022 N/A GLU 28.A N GLY 25.A O no hydrogen 2.952 N/A GLY 29.A N GLU 26.A O no hydrogen 2.969 N/A ILE 30.A N GLY 25.A O no hydrogen 2.879 N/A THR 31.A N ASP 1.A O no hydrogen 3.012 N/A ILE 33.A N VAL 61.A O no hydrogen 2.992 N/A GLY 34.A N VAL 5.A O no hydrogen 2.834 N/A ASN 35.A N ARG 59.A O no hydrogen 2.792 N/A ASN 35.A ND2 GLU 18.A OE2 no hydrogen 2.799 N/A ILE 37.A N GLY 9.A O no hydrogen 3.440 N/A CYS 40.A N ILE 37.A O no hydrogen 3.161 N/A CYS 40.A SG SER 41.A O no hydrogen 3.691 N/A LEU 42.A N GLN 90.A OE1 no hydrogen 2.858 N/A ARG 44.A N SER 41.A OG no hydrogen 3.168 N/A HIS 45.A N SER 41.A O no hydrogen 2.938 N/A HIS 45.A ND1 TYR 56.A OH no hydrogen 2.682 N/A VAL 46.A N LEU 42.A O no hydrogen 2.959 N/A GLN 47.A N GLU 43.A O no hydrogen 3.014 N/A ASN 48.A N ARG 44.A O no hydrogen 2.971 N/A ASN 48.A ND2 TYR 56.A OH no hydrogen 2.926 N/A ILE 49.A N HIS 45.A O no hydrogen 2.945 N/A ARG 50.A N VAL 46.A O no hydrogen 2.930 N/A ARG 50.A NE GLU 107.A OE1 no hydrogen 3.409 N/A ARG 50.A NE GLU 107.A OE2 no hydrogen 2.883 N/A ARG 50.A NH2 GLU 107.A OE1 no hydrogen 2.802 N/A ASN 51.A N GLN 47.A O no hydrogen 3.241 N/A ASN 52.A ND2 GLU 75.A OE2.B no hydrogen 2.986 N/A ALA 53.A N ASN 48.A O no hydrogen 2.931 N/A TYR 56.A OH HIS 45.A ND1 no hydrogen 2.682 N/A ALA 57.A N PHE 36.A O no hydrogen 3.020 N/A TYR 58.A N THR 70.A O no hydrogen 2.808 N/A TYR 58.A OH ASP 80.A OD2 no hydrogen 2.681 N/A ARG 59.A N ASN 35.A O no hydrogen 2.902 N/A ARG 59.A NE GLU 69.A OE2 no hydrogen 2.906 N/A ARG 59.A NH1 GLN 14.A OE1 no hydrogen 3.015 N/A ARG 59.A NH1 GLU 18.A OE2 no hydrogen 2.788 N/A LYS 60.A N THR 68.A O no hydrogen 2.851 N/A LYS 60.A NZ ASP 80.A OD2 no hydrogen 2.803 N/A LYS 60.A NZ GLU 81.A OE2 no hydrogen 2.616 N/A VAL 61.A N ILE 33.A O no hydrogen 2.823 N/A GLU 62.A N GLU 66.A O no hydrogen 2.852 N/A GLY 65.A N GLU 62.A O no hydrogen 2.826 N/A GLU 66.A N ASP 64.A OD1 no hydrogen 3.072 N/A LYS 67.A NZ GLU 18.A O no hydrogen 3.013 N/A THR 68.A N LYS 60.A O no hydrogen 2.909 N/A THR 70.A N TYR 58.A O no hydrogen 2.870 N/A ARG 71.A NH1.B GLU 69.A OE1 no hydrogen 3.414 N/A LYS 76.A N THR 73.A OG1 no hydrogen 3.031 N/A ALA 77.A N THR 73.A O no hydrogen 2.962 N/A LEU 78.A N ILE 74.A O no hydrogen 2.841 N/A ALA 79.A N GLU 75.A O no hydrogen 3.240 N/A ALA 79.A N LYS 76.A O no hydrogen 3.177 N/A ASP 80.A N ALA 77.A O no hydrogen 3.038 N/A TRP 83.A NE1 ALA 77.A O no hydrogen 2.883 N/A ASP 84.A N LYS 4.A O no hydrogen 2.776 N/A TYR 85.A N LYS 4.A O no hydrogen 3.187 N/A ILE 86.A N VAL 121.A O no hydrogen 2.977 N/A SER 87.A N LEU 6.A O no hydrogen 2.860 N/A GLN 90.A NE2 SER 100.A OG no hydrogen 2.916 N/A ALA 91.A N GLN 90.A OE1 no hydrogen 2.818 N/A SER 92.A OG TYR 128.A OH no hydrogen 2.628 N/A LEU 94.A N ALA 91.A O no hydrogen 3.002 N/A SER 95.A N SER 92.A O no hydrogen 3.054 N/A SER 95.A OG SER 92.A O no hydrogen 2.665 N/A GLY 96.A N TYR 140.A OH no hydrogen 2.894 N/A ILE 97.A N LEU 94.A O no hydrogen 2.960 N/A SER 100.A N ILE 97.A O no hydrogen 3.019 N/A SER 100.A OG LEU 94.A O no hydrogen 3.242 N/A SER 100.A OG ILE 97.A O no hydrogen 2.768 N/A TYR 101.A OH SER 95.A O no hydrogen 2.680 N/A LYS 102.A N TYR 98.A O no hydrogen 2.974 N/A ALA 103.A N ASP 99.A O no hydrogen 3.072 N/A SER 104.A N TYR 101.A O no hydrogen 3.213 N/A LEU 105.A N TYR 101.A O no hydrogen 2.822 N/A LEU 108.A N SER 104.A O no hydrogen 3.331 N/A VAL 109.A N LEU 105.A O no hydrogen 2.892 N/A ASN 110.A N PRO 106.A O no hydrogen 2.859 N/A TYR 111.A N GLU 107.A O no hydrogen 3.102 N/A ILE 112.A N LEU 108.A O no hydrogen 3.098 N/A ARG 113.A N VAL 109.A O no hydrogen 2.835 N/A ARG 113.A NH2 VAL 160.A O no hydrogen 2.966 N/A GLU 114.A N ASN 110.A O no hydrogen 3.131 N/A ARG 115.A N ILE 112.A O no hydrogen 2.874 N/A ARG 115.A NE GLU 75.A OE2.A no hydrogen 3.003 N/A ARG 115.A NH1 TYR 111.A O no hydrogen 2.944 N/A ARG 115.A NH2 GLU 75.A OE2.A no hydrogen 3.295 N/A THR 120.A N GLY 117.A O no hydrogen 3.081 N/A THR 120.A OG1 TRP 83.A O no hydrogen 2.678 N/A VAL 121.A N ASP 84.A O no hydrogen 2.896 N/A HIS 123.A ND1 GLN 89.A OE1 no hydrogen 2.830 N/A HIS 123.A NE2 SER 168.A OG no hydrogen 2.877 N/A GLN 124.A N ILE 166.A O no hydrogen 2.977 N/A GLN 124.A NE2 PRO 240.A O no hydrogen 3.363 N/A TRP 126.A NE1 TYR 188.A O no hydrogen 2.886 N/A TYR 128.A OH SER 92.A OG no hydrogen 2.628 N/A ALA 129.A N GLY 187.A O no hydrogen 2.886 N/A THR 130.A N ASP 182.A OD2 no hydrogen 2.759 N/A THR 130.A OG1.A ASN 131.A OD1.B no hydrogen 3.308 N/A THR 130.A OG1.A ASP 182.A OD2 no hydrogen 2.774 N/A ALA 132.A N ALA 129.A O no hydrogen 2.998 N/A GLY 136.A N HIS 134.A ND1 no hydrogen 2.977 N/A PHE 137.A N HIS 134.A O no hydrogen 3.071 N/A LYS 138.A N THR 135.A O no hydrogen 3.272 N/A ASN 139.A N GLY 136.A O no hydrogen 3.051 N/A ASN 139.A ND2 PRO 93.A O no hydrogen 2.976 N/A TYR 140.A N PHE 137.A O no hydrogen 2.931 N/A TYR 140.A OH PRO 93.A O no hydrogen 2.710 N/A ASP 141.A N LYS 138.A O no hydrogen 3.160 N/A GLN 142.A N PHE 137.A O no hydrogen 3.014 N/A ASN 143.A N TYR 140.A O no hydrogen 3.156 N/A GLN 144.A NE2 TYR 128.A O no hydrogen 2.875 N/A GLN 144.A NE2 ASP 182.A OD1 no hydrogen 2.998 N/A TYR 146.A OH THR 170.A OG1 no hydrogen 2.794 N/A THR 147.A OG1.B LYS 145.A O no hydrogen 3.143 N/A SER 148.A N LYS 145.A O no hydrogen 3.032 N/A SER 148.A OG.A LYS 145.A O no hydrogen 2.899 N/A SER 148.A OG.B GLY 96.A O no hydrogen 3.520 N/A SER 148.A OG.B LYS 145.A O no hydrogen 3.403 N/A VAL 150.A N TYR 146.A O no hydrogen 3.004 N/A ASP 151.A N THR 147.A O no hydrogen 3.151 N/A ALA 152.A N SER 148.A O no hydrogen 2.953 N/A VAL 153.A N ILE 149.A O no hydrogen 2.911 N/A LYS 154.A N VAL 150.A O no hydrogen 3.108 N/A LYS 154.A NZ.A ASP 241.A OD2 no hydrogen 3.119 N/A LYS 154.A NZ.B ASP 241.A OD1 no hydrogen 3.488 N/A LYS 154.A NZ.B ASP 241.A OD2 no hydrogen 2.661 N/A LYS 155.A N ASP 151.A O no hydrogen 3.083 N/A LYS 155.A NZ ASP 151.A OD1 no hydrogen 3.046 N/A LYS 155.A NZ ASP 151.A OD2 no hydrogen 3.090 N/A ALA 156.A N ALA 152.A O no hydrogen 2.832 N/A ALA 157.A N VAL 153.A O no hydrogen 2.883 N/A ASN 158.A N LYS 154.A O no hydrogen 3.099 N/A LEU 159.A N LYS 155.A O no hydrogen 2.884 N/A VAL 160.A N ALA 156.A O no hydrogen 3.252 N/A VAL 160.A N ALA 157.A O no hydrogen 3.248 N/A GLY 161.A N ASN 158.A O no hydrogen 3.405 N/A ILE 162.A N ALA 157.A O no hydrogen 2.891 N/A LYS 164.A NZ ALA 206.A O no hydrogen 2.773 N/A SER 168.A N ILE 166.A O no hydrogen 2.995 N/A SER 168.A OG HIS 123.A NE2 no hydrogen 2.877 N/A GLY 169.A N GLN 124.A O no hydrogen 2.949 N/A THR 170.A N GLN 124.A OE1 no hydrogen 2.939 N/A THR 170.A OG1 GLN 124.A OE1 no hydrogen 3.417 N/A THR 170.A OG1 TYR 146.A OH no hydrogen 2.794 N/A THR 170.A OG1 PRO 240.A O no hydrogen 2.667 N/A ALA 171.A N PRO 167.A O no hydrogen 3.091 N/A ILE 172.A N SER 168.A O no hydrogen 2.885 N/A GLN 173.A N GLY 169.A O no hydrogen 2.978 N/A GLN 173.A NE2 GLN 144.A OE1 no hydrogen 2.949 N/A ASN 174.A N THR 170.A O no hydrogen 2.777 N/A ASN 174.A ND2 ALA 232.A O no hydrogen 3.153 N/A ALA 175.A N ALA 171.A O no hydrogen 2.927 N/A ARG 176.A N ILE 172.A O no hydrogen 2.998 N/A ARG 176.A NH1 ALA 127.A O no hydrogen 3.010 N/A ARG 176.A NH1 GLN 173.A OE1 no hydrogen 2.869 N/A ARG 176.A NH2 ALA 127.A O no hydrogen 2.773 N/A ARG 176.A NH2 ASN 184.A OD1 no hydrogen 2.805 N/A THR 177.A N ASN 174.A O no hydrogen 3.030 N/A THR 177.A OG1 ASN 174.A O no hydrogen 2.767 N/A SER 178.A N ALA 175.A O no hydrogen 3.045 N/A SER 178.A OG ALA 175.A O no hydrogen 2.701 N/A PHE 179.A N LEU 249.A O no hydrogen 2.828 N/A ILE 180.A N SER 178.A OG no hydrogen 3.028 N/A GLY 181.A N SER 178.A O no hydrogen 3.039 N/A HIS 183.A N GLY 181.A O no hydrogen 2.771 N/A ASN 184.A ND2 TYR 188.A O no hydrogen 3.044 N/A ASN 184.A ND2 HIS 189.A O no hydrogen 3.095 N/A ARG 185.A N HIS 189.A O no hydrogen 2.970 N/A ARG 185.A NH1 ASP 15.A OD1 no hydrogen 2.767 N/A ARG 185.A NH1 LEU 190.A O no hydrogen 2.858 N/A TYR 188.A N ASP 186.A OD1 no hydrogen 2.976 N/A HIS 189.A N ASP 186.A OD1 no hydrogen 2.781 N/A HIS 189.A ND1 ASP 186.A OD2 no hydrogen 2.747 N/A HIS 189.A NE2 SER 11.A OG no hydrogen 2.597 N/A LEU 190.A N ASP 15.A OD2 no hydrogen 2.873 N/A THR 193.A N ASP 191.A OD1 no hydrogen 2.905 N/A THR 193.A OG1 ASP 191.A OD1 no hydrogen 3.323 N/A ILE 194.A N THR 193.A OG1 no hydrogen 2.795 N/A GLY 195.A N ASP 191.A OD1 no hydrogen 3.260 N/A ARG 196.A N ASP 191.A O no hydrogen 2.913 N/A ARG 196.A NE ASP 15.A OD1 no hydrogen 2.886 N/A ARG 196.A NH2 ASP 15.A OD1 no hydrogen 3.127 N/A TYR 197.A N THR 193.A O no hydrogen 2.843 N/A THR 198.A N ILE 194.A O no hydrogen 3.028 N/A THR 198.A OG1 ILE 194.A O no hydrogen 2.839 N/A ALA 199.A N GLY 195.A O no hydrogen 3.150 N/A ALA 200.A N ARG 196.A O no hydrogen 2.900 N/A CYS 201.A N TYR 197.A O no hydrogen 2.837 N/A CYS 201.A SG TYR 197.A O no hydrogen 3.319 N/A THR 202.A N THR 198.A O no hydrogen 3.121 N/A THR 202.A OG1 THR 198.A O no hydrogen 2.927 N/A TRP 203.A N ALA 199.A O no hydrogen 3.030 N/A TRP 203.A NE1 HIS 123.A NE2 no hydrogen 3.149 N/A PHE 204.A N ALA 200.A O no hydrogen 2.794 N/A GLU 205.A N CYS 201.A O no hydrogen 3.032 N/A ALA 206.A N THR 202.A O no hydrogen 2.887 N/A LEU 207.A N TRP 203.A O no hydrogen 2.958 N/A THR 208.A N PHE 204.A O no hydrogen 2.926 N/A THR 208.A OG1 PHE 204.A O no hydrogen 2.750 N/A HIS 209.A N GLU 205.A O no hydrogen 2.877 N/A ARG 210.A N THR 208.A OG1 no hydrogen 3.104 N/A ARG 210.A NH1.A GLU 28.A OE1.B no hydrogen 3.253 N/A VAL 212.A N GLU 205.A OE1 no hydrogen 2.999 N/A THR 213.A N ASN 211.A OD1 no hydrogen 2.933 N/A THR 213.A OG1 ASN 211.A OD1 no hydrogen 2.694 N/A GLU 214.A N ASN 211.A O no hydrogen 3.013 N/A ASN 215.A N VAL 212.A O no hydrogen 2.992 N/A ASN 215.A ND2 LEU 24.A O no hydrogen 2.993 N/A ASN 215.A ND2 GLU 28.A OE2.A no hydrogen 3.103 N/A TYR 217.A N ASN 215.A OD1 no hydrogen 2.964 N/A HIS 226.A N ASP 223.A OD1 no hydrogen 3.026 N/A HIS 226.A ND1 ASP 223.A OD1 no hydrogen 2.688 N/A LYS 227.A N ASP 223.A O no hydrogen 2.886 N/A LYS 227.A NZ SER 218.A OG no hydrogen 3.258 N/A LYS 228.A N PRO 224.A O no hydrogen 2.985 N/A LYS 228.A NZ.B GLU 248.A OE2 no hydrogen 3.197 N/A ALA 229.A N ILE 225.A O no hydrogen 3.026 N/A ALA 230.A N HIS 226.A O no hydrogen 2.929 N/A GLN 231.A N LYS 227.A O no hydrogen 2.947 N/A GLN 231.A NE2 TYR 197.A OH no hydrogen 3.089 N/A GLN 231.A NE2 ASN 215.A O no hydrogen 3.638 N/A ALA 233.A N ALA 230.A O no hydrogen 3.034 N/A HIS 234.A N GLN 231.A O no hydrogen 2.877 N/A HIS 234.A ND1 GLU 205.A OE1 no hydrogen 3.120 N/A HIS 234.A ND1 GLU 205.A OE2 no hydrogen 2.837 N/A ALA 236.A N ALA 232.A O no hydrogen 3.014 N/A ILE 237.A N ALA 233.A O no hydrogen 3.048 N/A LEU 238.A N HIS 234.A O no hydrogen 3.044 N/A TYR 239.A N ASN 235.A O no hydrogen 2.820 N/A LYS 242.A NZ VAL 243.A O no hydrogen 3.001 N/A THR 244.A N ASN 174.A OD1 no hydrogen 2.823 N/A LEU 246.A N THR 177.A OG1 no hydrogen 3.114 N/A LEU 249.A N LEU 246.A O no hydrogen 2.853 N/A LYS 250.A NZ THR 177.A O no hydrogen 3.045 N/A LYS 250.A NZ GLU 245.A OE1 no hydrogen 2.889 N/A