Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8f4s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N SER 1.A O no hydrogen 3.292 N/A TRP 5.A N SER 2.A O no hydrogen 3.443 N/A GLN 6.A N GLN 3.A O no hydrogen 2.909 N/A VAL 9.A N VAL 194.A O no hydrogen 2.787 N/A MET 11.A N ALA 192.A O no hydrogen 2.910 N/A TYR 15.A N PRO 12.A O no hydrogen 3.028 N/A LYS 16.A N ASN 13.A O no hydrogen 3.036 N/A LYS 16.A NZ ASN 13.A OD1 no hydrogen 3.414 N/A LYS 16.A NZ TRP 190.A O no hydrogen 2.798 N/A MET 17.A N LEU 14.A O no hydrogen 3.231 N/A GLN 18.A N TYR 15.A O no hydrogen 3.394 N/A GLN 18.A NE2 LEU 14.A O no hydrogen 2.824 N/A ARG 19.A NH2.A GLN 18.A O no hydrogen 3.077 N/A MET 20.A N ASN 227.A OD1 no hydrogen 3.078 N/A CYS 25.A N GLU 173.A OE2 no hydrogen 2.832 N/A CYS 25.A SG ASN 233.A OD1 no hydrogen 3.706 N/A ASP 26.A N ASN 233.A OD1 no hydrogen 2.848 N/A GLN 28.A NE2 ASN 29.A OD1 no hydrogen 3.691 N/A ASN 29.A ND2 ILE 237.A O no hydrogen 2.601 N/A TYR 30.A N LEU 27.A O no hydrogen 3.168 N/A ASP 32.A N ASN 29.A O no hydrogen 3.033 N/A ILE 40.A N PRO 37.A O no hydrogen 3.066 N/A ALA 45.A N MET 41.A O.A no hydrogen 3.030 N/A ALA 45.A N MET 41.A O.B no hydrogen 3.103 N/A LYS 46.A N MET 42.A O no hydrogen 2.816 N/A LYS 46.A NZ GLU 203.A OE1 no hydrogen 2.818 N/A TYR 47.A N ASN 43.A O no hydrogen 3.121 N/A TYR 47.A OH HIS 69.A NE2 no hydrogen 2.676 N/A THR 48.A N VAL 44.A O no hydrogen 2.947 N/A THR 48.A OG1 VAL 44.A O no hydrogen 2.653 N/A GLN 49.A N ALA 45.A O no hydrogen 3.072 N/A GLN 49.A NE2 SER 240.A O no hydrogen 3.429 N/A GLN 49.A NE2 SER 243.A OG no hydrogen 2.957 N/A LEU 50.A N LYS 46.A O no hydrogen 3.007 N/A CYS 51.A N TYR 47.A O no hydrogen 2.965 N/A CYS 51.A SG TYR 47.A O no hydrogen 3.353 N/A GLN 52.A N THR 48.A O no hydrogen 2.934 N/A GLN 52.A NE2 SER 243.A O no hydrogen 2.900 N/A TYR 53.A N GLN 49.A O no hydrogen 3.012 N/A LEU 54.A N LEU 50.A O no hydrogen 2.851 N/A ASN 55.A N CYS 51.A O no hydrogen 3.022 N/A ASN 55.A ND2 PHE 250.A O no hydrogen 2.759 N/A THR 56.A N TYR 53.A O no hydrogen 2.879 N/A THR 56.A OG1 TYR 53.A O no hydrogen 2.697 N/A LEU 57.A N LEU 54.A O no hydrogen 3.093 N/A THR 58.A OG1 ASN 210.A OD1 no hydrogen 2.846 N/A VAL 61.A N THR 257.A OG1 no hydrogen 2.896 N/A ARG 66.A N ASP 125.A OD2 no hydrogen 2.732 N/A ARG 66.A NH1 LYS 123.A O no hydrogen 2.903 N/A VAL 67.A N LEU 94.A O no hydrogen 2.845 N/A ILE 68.A N LEU 126.A O no hydrogen 3.064 N/A HIS 69.A N VAL 96.A O no hydrogen 2.800 N/A HIS 69.A ND1 THR 82.A OG1 no hydrogen 2.883 N/A HIS 69.A NE2 TYR 47.A OH no hydrogen 2.676 N/A PHE 70.A N ILE 128.A O no hydrogen 2.834 N/A ALA 72.A N SER 98.A O no hydrogen 2.949 N/A GLY 73.A N ASP 99.A OD2 no hydrogen 2.816 N/A SER 74.A N VAL 78.A O no hydrogen 2.922 N/A SER 74.A OG VAL 78.A O no hydrogen 2.957 N/A GLY 77.A N SER 74.A O no hydrogen 3.294 N/A VAL 78.A N SER 74.A OG no hydrogen 3.172 N/A THR 82.A OG1 HIS 69.A ND1 no hydrogen 2.883 N/A THR 82.A OG1 ASP 97.A OD2 no hydrogen 2.812 N/A ALA 83.A N ALA 79.A O no hydrogen 3.154 N/A VAL 84.A N PRO 80.A O no hydrogen 3.053 N/A LEU 85.A N GLY 81.A O no hydrogen 2.938 N/A ARG 86.A N THR 82.A O no hydrogen 2.936 N/A ARG 86.A NH1 ASP 108.A OD1 no hydrogen 3.408 N/A ARG 86.A NH2 ASP 108.A OD1 no hydrogen 2.941 N/A ARG 86.A NH2 ASP 108.A OD2 no hydrogen 2.755 N/A GLN 87.A N ALA 83.A O no hydrogen 3.129 N/A TRP 88.A N VAL 84.A O no hydrogen 2.916 N/A TRP 88.A NE1 ASN 55.A OD1 no hydrogen 2.789 N/A LEU 89.A N LEU 85.A O no hydrogen 2.806 N/A THR 93.A N PRO 90.A O no hydrogen 3.051 N/A THR 93.A OG1 PRO 90.A O no hydrogen 2.708 N/A LEU 94.A N MET 65.A O.A no hydrogen 2.983 N/A LEU 94.A N MET 65.A O.B no hydrogen 3.091 N/A LEU 95.A N ASP 108.A OD2 no hydrogen 2.822 N/A VAL 96.A N VAL 67.A O no hydrogen 3.003 N/A ASP 97.A N SER 109.A O no hydrogen 3.026 N/A SER 98.A OG LEU 111.A O no hydrogen 3.419 N/A ASP 99.A N LEU 111.A O no hydrogen 3.175 N/A LEU 100.A N ASP 99.A OD1 no hydrogen 2.647 N/A VAL 104.A N GLY 77.A O no hydrogen 2.843 N/A SER 105.A OG ASP 97.A OD2 no hydrogen 2.353 N/A ALA 107.A N SER 105.A OG no hydrogen 2.966 N/A ASP 108.A N LEU 95.A O no hydrogen 2.798 N/A THR 110.A OG1 ASP 97.A OD1 no hydrogen 2.696 N/A LEU 111.A N ASP 97.A O no hydrogen 3.007 N/A GLY 113.A N ASP 99.A O no hydrogen 3.046 N/A THR 117.A N ASP 114.A O no hydrogen 2.956 N/A THR 117.A OG1 ASP 114.A O no hydrogen 2.680 N/A VAL 118.A N CYS 115.A O no hydrogen 3.196 N/A HIS 119.A N SER 291.A O no hydrogen 2.933 N/A HIS 119.A NE2 ASP 293.A OD2 no hydrogen 2.925 N/A THR 120.A OG1 VAL 289.A O no hydrogen 2.801 N/A ASN 122.A N THR 120.A OG1 no hydrogen 3.166 N/A ASN 122.A ND2 ARG 287.A O no hydrogen 3.238 N/A TRP 124.A N LYS 160.A O no hydrogen 2.818 N/A ASP 125.A N ARG 66.A O no hydrogen 2.948 N/A LEU 126.A N ARG 66.A O no hydrogen 3.270 N/A ILE 127.A N SER 166.A O no hydrogen 3.167 N/A ILE 128.A N ILE 68.A O no hydrogen 2.960 N/A SER 129.A N ALA 168.A O no hydrogen 2.836 N/A ASP 130.A N PHE 70.A O no hydrogen 2.878 N/A MET 131.A N SER 129.A OG no hydrogen 3.186 N/A LYS 135.A N ASP 133.A OD1 no hydrogen 3.129 N/A THR 136.A N ASP 133.A O no hydrogen 2.952 N/A THR 140.A N ASN 138.A OD1 no hydrogen 3.172 N/A THR 140.A OG1 ASN 138.A OD1 no hydrogen 2.792 N/A ASN 143.A ND2 GLU 173.A O no hydrogen 2.771 N/A SER 145.A OG GLU 147.A OE2 no hydrogen 3.336 N/A LYS 146.A N TRP 176.A O no hydrogen 2.795 N/A LYS 146.A NZ ASP 144.A O no hydrogen 2.747 N/A LYS 146.A NZ HIS 174.A O no hydrogen 2.840 N/A THR 151.A N GLY 148.A O no hydrogen 3.096 N/A THR 151.A OG1 GLY 148.A O no hydrogen 2.837 N/A ILE 153.A N PHE 149.A O no hydrogen 2.951 N/A CYS 154.A N PHE 150.A O no hydrogen 3.027 N/A CYS 154.A SG PHE 150.A O no hydrogen 3.338 N/A CYS 154.A SG ASN 177.A OD1 no hydrogen 3.871 N/A GLY 155.A N THR 151.A O no hydrogen 3.007 N/A PHE 156.A N TYR 152.A O no hydrogen 2.845 N/A ILE 157.A N ILE 153.A O no hydrogen 2.963 N/A GLN 158.A N CYS 154.A O no hydrogen 3.074 N/A GLN 159.A N PHE 156.A O no hydrogen 3.380 N/A LYS 160.A N PHE 156.A O no hydrogen 2.660 N/A LYS 160.A NZ THR 120.A O no hydrogen 2.802 N/A LEU 161.A N ILE 157.A O no hydrogen 3.188 N/A ALA 162.A N TRP 124.A O no hydrogen 2.865 N/A LEU 163.A N ILE 282.A O no hydrogen 3.288 N/A GLY 164.A N TYR 211.A O no hydrogen 2.733 N/A GLY 165.A N ALA 162.A O no hydrogen 2.874 N/A SER 166.A N ASP 125.A O no hydrogen 3.142 N/A VAL 167.A N GLY 208.A O no hydrogen 2.840 N/A ALA 168.A N ILE 127.A O no hydrogen 2.898 N/A ILE 169.A N LEU 206.A O no hydrogen 2.838 N/A LYS 170.A N SER 129.A O no hydrogen 2.945 N/A LYS 170.A NZ GLU 203.A OE1 no hydrogen 3.264 N/A ILE 171.A N ALA 204.A O no hydrogen 2.805 N/A THR 172.A N SER 175.A O no hydrogen 2.926 N/A GLU 173.A N SER 202.A OG no hydrogen 3.000 N/A SER 175.A N THR 172.A OG1 no hydrogen 2.838 N/A TRP 176.A NE1 ASN 143.A OD1 no hydrogen 2.859 N/A ASN 177.A ND2 LYS 146.A O no hydrogen 2.721 N/A ALA 178.A N SER 145.A OG no hydrogen 2.834 N/A LEU 180.A N ASN 177.A O no hydrogen 3.241 N/A LEU 180.A N ASN 177.A OD1 no hydrogen 2.946 N/A TYR 181.A N ASN 177.A O no hydrogen 3.392 N/A TYR 181.A OH HIS 225.A ND1 no hydrogen 2.816 N/A LYS 182.A N ALA 178.A O no hydrogen 3.133 N/A LYS 182.A NZ ILE 219.A O no hydrogen 3.062 N/A LEU 183.A N ASP 179.A O no hydrogen 2.911 N/A MET 184.A N LEU 180.A O no hydrogen 3.146 N/A MET 184.A N TYR 181.A O no hydrogen 2.987 N/A GLY 185.A N LYS 182.A O no hydrogen 3.120 N/A HIS 186.A N LEU 183.A O no hydrogen 2.879 N/A PHE 187.A N MET 184.A O no hydrogen 3.157 N/A ALA 188.A N ASN 210.A O no hydrogen 2.881 N/A TRP 189.A N CYS 209.A O no hydrogen 3.290 N/A THR 191.A N ILE 207.A O no hydrogen 2.940 N/A THR 191.A OG1 ALA 192.A O no hydrogen 3.426 N/A PHE 193.A N PHE 205.A O no hydrogen 2.864 N/A VAL 194.A N VAL 9.A O no hydrogen 2.912 N/A ASN 196.A N PRO 7.A O no hydrogen 3.043 N/A ASN 196.A ND2 GLN 3.A O no hydrogen 2.811 N/A ASN 196.A ND2 GLN 6.A O no hydrogen 2.781 N/A VAL 197.A N GLN 49.A OE1 no hydrogen 2.870 N/A ASN 198.A N THR 195.A O no hydrogen 3.316 N/A ASN 198.A ND2 GLU 203.A OE2 no hydrogen 2.987 N/A SER 200.A OG ASP 32.A O no hydrogen 3.275 N/A SER 201.A N ASN 198.A O no hydrogen 3.030 N/A GLU 203.A N SER 201.A OG no hydrogen 3.062 N/A ALA 204.A N ILE 171.A O no hydrogen 2.938 N/A PHE 205.A N PHE 193.A O no hydrogen 2.841 N/A LEU 206.A N ILE 169.A O no hydrogen 2.720 N/A ILE 207.A N THR 191.A O no hydrogen 2.831 N/A GLY 208.A N VAL 167.A O no hydrogen 2.992 N/A CYS 209.A N TRP 189.A O no hydrogen 2.893 N/A CYS 209.A SG THR 58.A OG1 no hydrogen 3.665 N/A CYS 209.A SG ASN 210.A OD1 no hydrogen 3.452 N/A ASN 210.A N SER 166.A OG no hydrogen 3.116 N/A ASN 210.A ND2 THR 58.A O no hydrogen 3.093 N/A ASN 210.A ND2 GLY 164.A O no hydrogen 3.199 N/A TYR 211.A N GLY 165.A O no hydrogen 2.705 N/A LEU 212.A N HIS 186.A O no hydrogen 2.827 N/A ARG 216.A N GLY 185.A O no hydrogen 2.740 N/A ARG 216.A NE PHE 187.A O no hydrogen 2.940 N/A ARG 216.A NH1 GLU 217.A OE1 no hydrogen 2.548 N/A GLU 217.A N GLY 185.A O no hydrogen 3.248 N/A VAL 223.A N ASP 220.A OD1 no hydrogen 3.256 N/A MET 224.A N ASP 220.A O no hydrogen 2.929 N/A HIS 225.A N GLY 221.A O no hydrogen 3.059 N/A HIS 225.A ND1 TYR 181.A OH no hydrogen 2.816 N/A HIS 225.A NE2 GLU 173.A O no hydrogen 2.836 N/A ALA 226.A N TYR 222.A O no hydrogen 3.302 N/A ASN 227.A N VAL 223.A O no hydrogen 2.865 N/A ASN 227.A ND2 LYS 16.A O no hydrogen 3.427 N/A ASN 227.A ND2 GLN 18.A O no hydrogen 2.725 N/A TYR 228.A N MET 224.A O no hydrogen 2.909 N/A TYR 228.A OH SER 202.A O no hydrogen 2.617 N/A ILE 229.A N HIS 225.A O no hydrogen 2.999 N/A PHE 230.A N ALA 226.A O no hydrogen 2.938 N/A TRP 231.A N ASN 227.A O no hydrogen 2.973 N/A ARG 232.A N TYR 228.A O no hydrogen 3.017 N/A ARG 232.A NH1 SER 201.A O no hydrogen 2.946 N/A ARG 232.A NH1 TYR 228.A OH no hydrogen 2.907 N/A ARG 232.A NH2 SER 201.A O no hydrogen 2.880 N/A ASN 233.A N ILE 229.A O no hydrogen 2.805 N/A ASN 233.A ND2 LYS 24.A O no hydrogen 2.896 N/A THR 234.A N PHE 230.A O no hydrogen 3.108 N/A THR 234.A N TRP 231.A O no hydrogen 3.328 N/A THR 234.A OG1 PHE 230.A O no hydrogen 2.811 N/A THR 234.A OG1 TRP 231.A O no hydrogen 3.529 N/A THR 234.A OG1 ASN 235.A OD1 no hydrogen 2.989 N/A SER 240.A N ASN 196.A O no hydrogen 3.059 N/A SER 240.A OG ALA 4.A O no hydrogen 2.550 N/A SER 241.A OG THR 35.A O no hydrogen 2.766 N/A TYR 242.A N SER 240.A OG no hydrogen 3.271 N/A SER 243.A OG GLN 52.A OE1 no hydrogen 2.822 N/A LEU 244.A N SER 241.A O no hydrogen 2.950 N/A PHE 245.A N TYR 242.A O no hydrogen 3.164 N/A ASP 246.A N SER 243.A O no hydrogen 3.392 N/A SER 248.A N ASP 246.A OD1 no hydrogen 3.352 N/A SER 248.A OG ASP 246.A OD1 no hydrogen 2.883 N/A PHE 250.A N MET 247.A O no hydrogen 3.231 N/A LEU 252.A N TRP 88.A O no hydrogen 2.907 N/A ARG 255.A NH1 LEU 59.A O no hydrogen 2.640 N/A ARG 255.A NH2 LYS 277.A O no hydrogen 3.362 N/A THR 257.A N VAL 61.A O no hydrogen 3.122 N/A MET 260.A N ILE 281.A O no hydrogen 2.894 N/A GLN 266.A N LYS 263.A O no hydrogen 2.770 N/A MET 270.A N ASN 268.A OD1 no hydrogen 2.742 N/A ILE 271.A N ASN 268.A OD1 no hydrogen 3.030 N/A LEU 272.A N ASN 268.A O no hydrogen 3.249 N/A SER 273.A N.A ASP 269.A O no hydrogen 3.297 N/A SER 273.A N.B ASP 269.A O no hydrogen 3.295 N/A SER 273.A OG.B ASP 269.A O no hydrogen 2.931 N/A LEU 274.A N MET 270.A O no hydrogen 3.218 N/A LEU 275.A N ILE 271.A O no hydrogen 2.889 N/A SER 276.A N LEU 272.A O no hydrogen 2.930 N/A SER 276.A OG LEU 272.A O no hydrogen 2.767 N/A LYS 277.A N LEU 274.A O no hydrogen 3.217 N/A GLY 278.A N LEU 275.A O no hydrogen 3.018 N/A ARG 279.A N LEU 274.A O no hydrogen 2.971 N/A ILE 281.A N ALA 258.A O no hydrogen 2.957 N/A ILE 282.A N LEU 163.A O no hydrogen 2.958 N/A ARG 283.A N MET 260.A O no hydrogen 2.998 N/A ARG 283.A NE ASP 125.A OD1 no hydrogen 2.817 N/A ARG 283.A NH1 ASN 64.A O.B no hydrogen 3.066 N/A ARG 283.A NH1 ASP 125.A OD1 no hydrogen 3.472 N/A ARG 283.A NH1 ASP 125.A OD2 no hydrogen 3.043 N/A ARG 283.A NH2 GLU 284.A O no hydrogen 3.020 N/A ARG 283.A NH2 ASN 285.A OD1 no hydrogen 3.386 N/A ASN 286.A ND2 GLU 284.A OE2 no hydrogen 2.848 N/A VAL 289.A N ASN 122.A OD1 no hydrogen 2.905 N/A SER 291.A N HIS 119.A O no hydrogen 2.707 N/A ASP 293.A N THR 117.A O no hydrogen 2.655 N/A