Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4deg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N ASP 3.A O no hydrogen 3.058 N/A GLU 10.A N ASN 8.A OD1 no hydrogen 3.123 N/A LEU 11.A N ASN 8.A O no hydrogen 2.819 N/A ALA 14.A N LEU 11.A O no hydrogen 3.127 N/A VAL 15.A N VAL 12.A O no hydrogen 3.240 N/A GLN 16.A NE2 GLN 13.A O no hydrogen 3.205 N/A HIS 17.A N ALA 14.A O no hydrogen 3.085 N/A VAL 18.A N VAL 15.A O no hydrogen 3.110 N/A VAL 19.A N VAL 15.A O no hydrogen 3.063 N/A ILE 20.A N ILE 88.A O no hydrogen 2.736 N/A SER 24.A N GLY 21.A O no hydrogen 2.816 N/A ILE 26.A N THR 45.A O no hydrogen 3.102 N/A HIS 28.A N HIS 43.A O no hydrogen 2.844 N/A ILE 33.A N VAL 41.A O no hydrogen 2.836 N/A GLY 36.A N GLY 39.A O no hydrogen 2.930 N/A HIS 37.A N MET 169.A O no hydrogen 3.218 N/A PHE 38.A N ASP 168.A OD1 no hydrogen 2.938 N/A PHE 38.A N ASP 168.A OD2 no hydrogen 2.931 N/A GLY 39.A N GLY 36.A O no hydrogen 3.250 N/A VAL 41.A N GLY 34.A O no hydrogen 2.881 N/A TYR 42.A N VAL 52.A O no hydrogen 2.783 N/A HIS 43.A ND1 HIS 49.A NE2 no hydrogen 2.983 N/A GLY 44.A N CYS 50.A O no hydrogen 2.796 N/A THR 45.A N ILE 26.A O no hydrogen 2.769 N/A LEU 46.A N ILE 48.A O no hydrogen 2.767 N/A HIS 49.A NE2 HIS 43.A ND1 no hydrogen 2.983 N/A CYS 50.A N GLY 44.A O no hydrogen 2.973 N/A ALA 51.A N LEU 97.A O no hydrogen 2.680 N/A VAL 52.A N TYR 42.A O no hydrogen 2.766 N/A LYS 53.A N VAL 95.A O no hydrogen 2.774 N/A LYS 53.A NZ ASP 168.A OD2 no hydrogen 2.490 N/A LYS 53.A NZ TYR 170.A OH no hydrogen 3.229 N/A SER 54.A N CYS 40.A O no hydrogen 2.881 N/A SER 54.A OG ASN 56.A OD1 no hydrogen 2.851 N/A ASN 56.A N SER 54.A OG no hydrogen 3.358 N/A ARG 57.A N PHE 38.A O no hydrogen 3.181 N/A ARG 57.A NH1 HIS 37.A O no hydrogen 2.875 N/A ILE 58.A N LEU 55.A O no hydrogen 3.426 N/A ILE 61.A N ASP 60.A OD1 no hydrogen 2.927 N/A SER 65.A OG ALA 6.A O no hydrogen 3.352 N/A PHE 67.A N GLU 63.A O no hydrogen 2.999 N/A LEU 68.A N VAL 64.A O no hydrogen 3.007 N/A THR 69.A N SER 65.A O no hydrogen 3.117 N/A THR 69.A OG1 SER 65.A O no hydrogen 2.731 N/A GLU 70.A N GLN 66.A O no hydrogen 2.890 N/A GLY 71.A N PHE 67.A O no hydrogen 3.040 N/A ILE 72.A N LEU 68.A O no hydrogen 2.742 N/A ILE 73.A N THR 69.A O no hydrogen 2.872 N/A MET 74.A N GLU 70.A O no hydrogen 2.987 N/A LYS 75.A N GLY 71.A O no hydrogen 2.886 N/A LYS 75.A NZ HIS 17.A O no hydrogen 2.744 N/A PHE 77.A N MET 74.A O no hydrogen 3.292 N/A SER 78.A N TYR 134.A OH no hydrogen 2.816 N/A ASN 81.A N HIS 79.A ND1 no hydrogen 3.095 N/A ASN 81.A ND2 VAL 158.A O no hydrogen 3.025 N/A VAL 82.A N HIS 79.A O no hydrogen 3.091 N/A LEU 83.A N VAL 160.A O no hydrogen 2.864 N/A LEU 86.A N VAL 96.A O no hydrogen 2.854 N/A GLY 87.A N VAL 96.A O no hydrogen 3.282 N/A ILE 88.A N VAL 18.A O no hydrogen 2.815 N/A CYS 89.A N LEU 94.A O no hydrogen 2.937 N/A CYS 89.A SG ILE 20.A O no hydrogen 3.547 N/A ARG 91.A NE SER 92.A O no hydrogen 2.745 N/A LEU 94.A N CYS 89.A O no hydrogen 2.767 N/A VAL 95.A N LYS 53.A O no hydrogen 2.890 N/A VAL 96.A N GLY 87.A O no hydrogen 2.868 N/A LEU 97.A N ALA 51.A O no hydrogen 2.832 N/A HIS 102.A N LEU 152.A O no hydrogen 3.102 N/A GLY 103.A N MET 100.A O no hydrogen 3.050 N/A LEU 105.A N CYS 150.A O no hydrogen 2.720 N/A ARG 106.A N ALA 147.A O no hydrogen 3.206 N/A ARG 106.A NE GLY 220.A O no hydrogen 3.159 N/A ARG 106.A NH2 GLY 220.A O no hydrogen 2.976 N/A ASN 107.A N ASP 104.A OD2 no hydrogen 3.092 N/A ASN 107.A ND2 ASP 104.A OD1 no hydrogen 2.698 N/A PHE 108.A N ASP 104.A O no hydrogen 3.078 N/A ILE 109.A N LEU 105.A O no hydrogen 3.085 N/A ARG 110.A N ARG 106.A O no hydrogen 3.126 N/A ARG 110.A NH2 GLY 220.A O no hydrogen 2.860 N/A ASN 111.A N PHE 108.A O no hydrogen 3.339 N/A THR 113.A N ASN 111.A OD1 no hydrogen 2.726 N/A THR 117.A N ASP 120.A OD2 no hydrogen 2.994 N/A THR 117.A OG1 GLY 286.A O no hydrogen 2.701 N/A LYS 119.A NZ PHE 281.A O no hydrogen 2.996 N/A LYS 119.A NZ PHE 284.A O no hydrogen 2.993 N/A ASP 120.A N THR 117.A OG1 no hydrogen 3.138 N/A LEU 121.A N THR 117.A O no hydrogen 3.000 N/A ILE 122.A N VAL 118.A O no hydrogen 2.964 N/A GLY 123.A N LYS 119.A O no hydrogen 2.880 N/A PHE 124.A N ASP 120.A O no hydrogen 2.857 N/A GLY 125.A N LEU 121.A O no hydrogen 3.140 N/A LEU 126.A N ILE 122.A O no hydrogen 2.828 N/A GLN 127.A N GLY 123.A O no hydrogen 2.941 N/A GLN 127.A NE2 GLY 123.A O no hydrogen 3.533 N/A VAL 128.A N PHE 124.A O no hydrogen 3.028 N/A ALA 129.A N GLY 125.A O no hydrogen 2.977 N/A LYS 130.A N LEU 126.A O no hydrogen 2.970 N/A GLY 131.A N GLN 127.A O no hydrogen 3.015 N/A MET 132.A N VAL 128.A O no hydrogen 2.894 N/A LYS 133.A N ALA 129.A O no hydrogen 2.831 N/A TYR 134.A N LYS 130.A O no hydrogen 3.084 N/A LEU 135.A N GLY 131.A O no hydrogen 2.983 N/A ALA 136.A N MET 132.A O no hydrogen 2.798 N/A SER 137.A N LYS 133.A O no hydrogen 3.043 N/A SER 137.A OG TYR 134.A O no hydrogen 2.611 N/A LYS 138.A N TYR 134.A O no hydrogen 3.247 N/A LYS 138.A N LEU 135.A O no hydrogen 3.122 N/A LYS 139.A N ALA 136.A O no hydrogen 2.915 N/A PHE 140.A N LEU 135.A O no hydrogen 2.983 N/A HIS 142.A N ASP 205.A OD2 no hydrogen 2.821 N/A HIS 142.A NE2 ALA 161.A O no hydrogen 2.682 N/A ARG 143.A N ASP 205.A OD1 no hydrogen 3.038 N/A ASP 144.A N HIS 142.A ND1 no hydrogen 3.073 N/A ALA 147.A N GLU 215.A OE1 no hydrogen 2.956 N/A ARG 148.A NE TYR 175.A OH no hydrogen 2.943 N/A ARG 148.A NH1 ASP 144.A OD1 no hydrogen 3.147 N/A ARG 148.A NH1 TYR 175.A OH no hydrogen 3.382 N/A ASN 149.A N ALA 146.A O no hydrogen 2.988 N/A ASN 149.A ND2 ASP 144.A O no hydrogen 2.810 N/A ASN 149.A ND2 ASP 144.A OD2 no hydrogen 3.114 N/A ASN 149.A ND2 TYR 175.A OH no hydrogen 3.458 N/A CYS 150.A N ALA 147.A O no hydrogen 3.319 N/A CYS 150.A SG ALA 146.A O no hydrogen 3.708 N/A MET 151.A N LYS 159.A O no hydrogen 2.924 N/A LEU 152.A N GLY 103.A O no hydrogen 2.894 N/A ASP 153.A N THR 157.A O no hydrogen 3.191 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.872 N/A LYS 155.A N ASP 153.A OD1 no hydrogen 2.947 N/A PHE 156.A N ASP 153.A O no hydrogen 2.973 N/A THR 157.A N ASP 153.A OD1 no hydrogen 2.990 N/A VAL 158.A N GLN 127.A OE1 no hydrogen 2.706 N/A LYS 159.A N MET 151.A O no hydrogen 2.762 N/A LYS 159.A NZ PRO 80.A O no hydrogen 2.799 N/A VAL 160.A N ASN 81.A O no hydrogen 2.797 N/A ALA 161.A N ASN 149.A O no hydrogen 3.172 N/A ALA 166.A N PHE 163.A O no hydrogen 3.087 N/A ARG 167.A N GLY 164.A O no hydrogen 3.279 N/A ASP 168.A N ASP 162.A OD1 no hydrogen 2.927 N/A MET 169.A N ASP 168.A OD1 no hydrogen 2.753 N/A TYR 170.A OH ALA 166.A O no hydrogen 2.661 N/A TYR 174.A N ASP 171.A O no hydrogen 3.279 N/A TYR 175.A N LYS 172.A O no hydrogen 3.292 N/A TYR 175.A OH ASP 144.A OD1 no hydrogen 3.395 N/A TYR 175.A OH ASP 144.A OD2 no hydrogen 2.450 N/A SER 176.A N LEU 185.A O no hydrogen 2.892 N/A HIS 178.A N ALA 183.A O no hydrogen 2.910 N/A LYS 180.A N HIS 178.A ND1 no hydrogen 3.068 N/A THR 181.A N HIS 178.A ND1 no hydrogen 3.209 N/A THR 181.A OG1 HIS 178.A ND1 no hydrogen 3.397 N/A THR 181.A OG1 GLN 198.A OE1 no hydrogen 2.591 N/A GLY 182.A N HIS 178.A O no hydrogen 3.161 N/A ALA 183.A N THR 181.A OG1 no hydrogen 3.381 N/A LEU 185.A N SER 176.A O no hydrogen 2.826 N/A LYS 188.A NZ TYR 224.A O no hydrogen 2.631 N/A LYS 188.A NZ VAL 227.A O no hydrogen 3.072 N/A TRP 189.A N PRO 186.A O no hydrogen 2.834 N/A TRP 189.A NE1 GLU 215.A OE1 no hydrogen 2.955 N/A MET 190.A N VAL 187.A O no hydrogen 3.222 N/A GLU 193.A N GLU 193.A OE2 no hydrogen 2.797 N/A SER 194.A OG LYS 199.A O no hydrogen 2.803 N/A LEU 195.A N ALA 191.A O no hydrogen 3.073 N/A GLN 196.A N LEU 192.A O no hydrogen 3.231 N/A THR 197.A N GLU 193.A O no hydrogen 2.785 N/A THR 197.A OG1 GLU 193.A O no hydrogen 2.816 N/A GLN 198.A N SER 194.A O no hydrogen 2.659 N/A LYS 199.A N THR 197.A OG1 no hydrogen 3.155 N/A THR 201.A N SER 204.A OG no hydrogen 2.850 N/A LYS 203.A NZ ARG 267.A O no hydrogen 2.831 N/A SER 204.A N THR 201.A OG1 no hydrogen 3.067 N/A SER 204.A OG THR 201.A O no hydrogen 2.905 N/A ASP 205.A N THR 201.A O no hydrogen 2.950 N/A VAL 206.A N THR 202.A O no hydrogen 2.949 N/A TRP 207.A N LYS 203.A O no hydrogen 3.271 N/A SER 208.A N SER 204.A O no hydrogen 3.085 N/A SER 208.A OG TRP 189.A O no hydrogen 2.720 N/A SER 208.A OG SER 204.A O no hydrogen 3.355 N/A PHE 209.A N ASP 205.A O no hydrogen 2.848 N/A GLY 210.A N VAL 206.A O no hydrogen 3.086 N/A VAL 211.A N TRP 207.A O no hydrogen 3.295 N/A LEU 212.A N SER 208.A O no hydrogen 2.905 N/A LEU 213.A N PHE 209.A O no hydrogen 2.831 N/A TRP 214.A N GLY 210.A O no hydrogen 3.157 N/A TRP 214.A NE1 LEU 243.A O no hydrogen 2.726 N/A GLU 215.A N VAL 211.A O no hydrogen 2.908 N/A LEU 216.A N LEU 212.A O no hydrogen 3.021 N/A MET 217.A N LEU 213.A O no hydrogen 3.062 N/A THR 218.A N TRP 214.A O no hydrogen 3.119 N/A THR 218.A OG1 TRP 214.A O no hydrogen 2.898 N/A THR 218.A OG1 GLU 215.A O no hydrogen 3.102 N/A ARG 219.A N LEU 216.A O no hydrogen 3.069 N/A ARG 219.A NE ILE 109.A O no hydrogen 2.671 N/A ARG 219.A NH1 ILE 109.A O no hydrogen 3.071 N/A ARG 219.A NH1 HIS 114.A O no hydrogen 3.096 N/A GLY 220.A N GLU 215.A O no hydrogen 2.672 N/A ALA 221.A N THR 218.A OG1 no hydrogen 3.245 N/A VAL 227.A N TYR 224.A O no hydrogen 3.200 N/A ASP 231.A N ASN 228.A O no hydrogen 3.040 N/A ILE 232.A N THR 229.A O no hydrogen 3.230 N/A TYR 235.A N ASP 231.A O no hydrogen 3.042 N/A LEU 236.A N ILE 232.A O no hydrogen 2.829 N/A LEU 237.A N THR 233.A O no hydrogen 2.936 N/A GLN 238.A N VAL 234.A O no hydrogen 3.082 N/A GLN 238.A N TYR 235.A O no hydrogen 3.330 N/A GLY 239.A N LEU 236.A O no hydrogen 2.931 N/A ARG 240.A N LEU 236.A O no hydrogen 3.190 N/A ARG 240.A NE GLN 238.A OE1 no hydrogen 2.761 N/A ARG 240.A NH1 GLN 238.A OE1 no hydrogen 3.341 N/A ARG 241.A NE TRP 260.A O no hydrogen 3.256 N/A ARG 241.A NH1 ARG 240.A O no hydrogen 2.887 N/A ARG 241.A NH2 TRP 260.A O no hydrogen 2.805 N/A GLN 244.A NE2 CYS 248.A O no hydrogen 2.818 N/A GLN 244.A NE2 ASP 250.A OD1 no hydrogen 2.937 N/A CYS 248.A N PRO 245.A O no hydrogen 3.112 N/A CYS 248.A SG PRO 249.A O no hydrogen 3.479 N/A TYR 253.A N PRO 249.A O no hydrogen 3.081 N/A TYR 253.A OH LEU 242.A O no hydrogen 2.604 N/A GLU 254.A N ASP 250.A O no hydrogen 2.982 N/A VAL 255.A N PRO 251.A O no hydrogen 3.051 N/A MET 256.A N LEU 252.A O no hydrogen 3.038 N/A LEU 257.A N TYR 253.A O no hydrogen 2.941 N/A LYS 258.A N GLU 254.A O no hydrogen 3.052 N/A CYS 259.A N VAL 255.A O no hydrogen 2.947 N/A CYS 259.A SG VAL 255.A O no hydrogen 3.377 N/A TRP 260.A N MET 256.A O no hydrogen 3.102 N/A TRP 260.A N LEU 257.A O no hydrogen 3.192 N/A TRP 260.A NE1 TRP 207.A O no hydrogen 3.166 N/A HIS 261.A N LYS 258.A O no hydrogen 3.199 N/A LYS 263.A N HIS 261.A ND1 no hydrogen 3.054 N/A GLU 265.A N GLU 265.A OE1 no hydrogen 2.804 N/A MET 266.A N LYS 263.A O no hydrogen 2.909 N/A ARG 267.A N ALA 264.A O no hydrogen 3.178 N/A ARG 267.A NE HIS 261.A O no hydrogen 2.879 N/A ARG 267.A NH1 GLU 193.A OE1 no hydrogen 2.738 N/A ARG 267.A NH1 LYS 203.A O no hydrogen 3.026 N/A ARG 267.A NH2 GLU 193.A OE1 no hydrogen 3.416 N/A ARG 267.A NH2 GLU 193.A OE2 no hydrogen 2.798 N/A ARG 267.A NH2 HIS 261.A O no hydrogen 3.033 N/A GLU 272.A N SER 269.A OG no hydrogen 3.068 N/A LEU 273.A N SER 269.A O no hydrogen 3.045 N/A VAL 274.A N PHE 270.A O no hydrogen 2.893 N/A SER 275.A N SER 271.A O no hydrogen 3.084 N/A ARG 276.A N GLU 272.A O no hydrogen 2.870 N/A ARG 276.A NE GLU 272.A OE2 no hydrogen 2.806 N/A ARG 276.A NH1 GLU 272.A OE2 no hydrogen 3.365 N/A ILE 277.A N LEU 273.A O no hydrogen 2.951 N/A SER 278.A N VAL 274.A O no hydrogen 2.940 N/A SER 278.A OG VAL 274.A O no hydrogen 3.206 N/A SER 278.A OG SER 275.A O no hydrogen 2.787 N/A ALA 279.A N SER 275.A O no hydrogen 3.173 N/A ILE 280.A N ARG 276.A O no hydrogen 3.240 N/A PHE 281.A N ILE 277.A O no hydrogen 2.837 N/A SER 282.A N SER 278.A O no hydrogen 3.034 N/A SER 282.A OG ALA 279.A O no hydrogen 2.637 N/A THR 283.A N ILE 280.A O no hydrogen 3.130 N/A THR 283.A OG1 ILE 280.A O no hydrogen 2.684 N/A PHE 284.A N PHE 281.A O no hydrogen 3.210 N/A