Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f4b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N LYS 29.A O no hydrogen 2.876 N/A CYS 4.A SG PHE 5.A O no hydrogen 3.757 N/A PHE 5.A N MET 112.A O no hydrogen 3.009 N/A ILE 6.A N ILE 31.A O no hydrogen 2.746 N/A ALA 7.A N VAL 114.A O no hydrogen 2.713 N/A GLY 8.A N GLY 33.A O no hydrogen 3.062 N/A VAL 9.A N GLY 33.A O no hydrogen 3.438 N/A SER 12.A OG ASP 54.A OD2 no hydrogen 2.909 N/A ASN 13.A N ASP 11.A OD1 no hydrogen 2.744 N/A TYR 15.A OH GLY 214.A O no hydrogen 2.817 N/A TRP 17.A NE1 ASP 54.A O no hydrogen 3.043 N/A ILE 19.A N TYR 15.A O no hydrogen 2.979 N/A ALA 20.A N GLY 16.A O no hydrogen 3.034 N/A LYS 21.A N TRP 17.A O no hydrogen 2.965 N/A LYS 21.A NZ ASP 54.A O no hydrogen 3.171 N/A LYS 21.A NZ ILE 56.A O no hydrogen 3.524 N/A GLU 22.A N GLY 18.A O no hydrogen 3.190 N/A LEU 23.A N ILE 19.A O no hydrogen 2.980 N/A SER 24.A N ALA 20.A O no hydrogen 2.994 N/A SER 24.A OG ALA 20.A O no hydrogen 3.338 N/A LYS 25.A N LYS 21.A O no hydrogen 3.300 N/A LYS 25.A NZ GLU 22.A OE2 no hydrogen 2.970 N/A ARG 26.A N LEU 23.A O no hydrogen 3.263 N/A ARG 26.A NE SER 255.A OG no hydrogen 2.855 N/A ARG 26.A NH1 SER 255.A O no hydrogen 2.901 N/A ASN 27.A N SER 24.A O no hydrogen 2.903 N/A VAL 28.A N LEU 23.A O no hydrogen 2.998 N/A LYS 29.A N GLU 2.A O no hydrogen 2.882 N/A ILE 31.A N CYS 4.A O no hydrogen 2.921 N/A PHE 32.A N ASP 64.A O no hydrogen 2.945 N/A GLY 33.A N ILE 6.A O no hydrogen 2.859 N/A VAL 34.A N LEU 66.A O no hydrogen 2.838 N/A VAL 38.A N TRP 35.A O no hydrogen 2.949 N/A TYR 39.A N PRO 36.A O no hydrogen 2.882 N/A TYR 39.A OH VAL 65.A O no hydrogen 3.201 N/A PHE 42.A N VAL 38.A O no hydrogen 3.157 N/A ILE 43.A N TYR 39.A O no hydrogen 2.986 N/A LYS 44.A N ASN 40.A O no hydrogen 2.953 N/A ASN 45.A N ILE 41.A O no hydrogen 2.884 N/A LEU 46.A N PHE 42.A O no hydrogen 3.029 N/A GLU 47.A N ILE 43.A O no hydrogen 2.856 N/A SER 48.A N LYS 44.A O no hydrogen 2.822 N/A SER 48.A OG LYS 44.A O no hydrogen 3.528 N/A SER 48.A OG ASN 45.A O no hydrogen 3.515 N/A GLY 49.A N LEU 46.A O no hydrogen 3.101 N/A LYS 50.A N ASN 45.A O no hydrogen 3.178 N/A ASP 52.A N GLY 49.A O no hydrogen 3.383 N/A MET 55.A N ASP 52.A O no hydrogen 3.078 N/A ILE 57.A N LYS 58.A O no hydrogen 2.945 N/A MET 60.A N MET 55.A O no hydrogen 3.042 N/A LEU 63.A N VAL 30.A O no hydrogen 2.983 N/A VAL 65.A N ASP 64.A OD1 no hydrogen 3.016 N/A LEU 66.A N PHE 32.A O no hydrogen 3.023 N/A LEU 68.A N VAL 34.A O no hydrogen 2.794 N/A ASP 69.A N TYR 94.A O no hydrogen 2.848 N/A GLY 71.A N ASP 69.A OD1 no hydrogen 2.962 N/A PHE 72.A N ASP 69.A O no hydrogen 3.044 N/A ASP 73.A N ASP 77.A OD2 no hydrogen 3.170 N/A ASN 74.A N ASP 77.A OD2 no hydrogen 3.346 N/A ASP 77.A N ASN 74.A O no hydrogen 3.049 N/A ILE 78.A N TYR 75.A O no hydrogen 3.005 N/A LYS 83.A N ASP 79.A O no hydrogen 3.200 N/A LYS 83.A NZ TYR 75.A OH no hydrogen 2.528 N/A LYS 83.A NZ GLU 80.A OE2 no hydrogen 3.141 N/A ASN 84.A N GLU 80.A O no hydrogen 2.794 N/A ASN 85.A N THR 82.A O no hydrogen 2.880 N/A ARG 87.A N ASN 85.A OD1 no hydrogen 2.772 N/A TYR 88.A N ASN 85.A O no hydrogen 2.963 N/A TYR 88.A OH ASP 69.A OD2 no hydrogen 2.738 N/A ASN 89.A N ASN 85.A O no hydrogen 3.162 N/A ASN 89.A ND2 ASN 84.A O no hydrogen 3.382 N/A ASN 90.A N ASN 90.A OD1 no hydrogen 2.470 N/A ASN 90.A ND2 ASN 40.A OD1 no hydrogen 3.460 N/A LEU 91.A N TYR 88.A O no hydrogen 2.842 N/A SER 95.A OG GLU 98.A OE1 no hydrogen 2.646 N/A ILE 96.A N PHE 72.A O no hydrogen 2.977 N/A GLU 97.A N ASP 73.A O no hydrogen 2.940 N/A VAL 99.A N SER 95.A O no hydrogen 3.048 N/A ALA 100.A N ILE 96.A O no hydrogen 3.233 N/A ASN 101.A N GLU 97.A O no hydrogen 3.003 N/A LEU 102.A N GLU 98.A O no hydrogen 2.843 N/A ILE 103.A N VAL 99.A O no hydrogen 2.798 N/A TYR 104.A N ALA 100.A O no hydrogen 3.001 N/A ASN 105.A N ASN 101.A O no hydrogen 2.780 N/A LYS 106.A N LEU 102.A O no hydrogen 2.928 N/A LYS 106.A NZ ASP 64.A OD2 no hydrogen 3.514 N/A TYR 107.A N ILE 103.A O no hydrogen 2.876 N/A TYR 107.A OH ASP 64.A OD2 no hydrogen 2.588 N/A GLY 108.A N TYR 104.A O no hydrogen 2.605 N/A ILE 110.A N PHE 156.A O no hydrogen 3.205 N/A SER 111.A N ILE 3.A O no hydrogen 3.346 N/A MET 112.A N ILE 3.A O no hydrogen 3.283 N/A LEU 113.A N SER 162.A O no hydrogen 2.822 N/A VAL 114.A N PHE 5.A O no hydrogen 2.787 N/A HIS 115.A N VAL 164.A O no hydrogen 2.893 N/A HIS 115.A NE2 SER 145.A OG no hydrogen 2.904 N/A SER 116.A N ALA 7.A O no hydrogen 2.776 N/A SER 116.A OG ALA 7.A O no hydrogen 3.534 N/A SER 116.A OG GLY 8.A O no hydrogen 3.197 N/A ASN 119.A N SER 142.A OG no hydrogen 3.025 N/A ARG 121.A NH2 ASP 133.A OD2 no hydrogen 2.345 N/A GLN 124.A NE2 ARG 121.A O no hydrogen 3.188 N/A LYS 125.A N GLU 122.A O no hydrogen 2.784 N/A ASP 129.A N SER 126.A O no hydrogen 2.972 N/A ASP 129.A N SER 126.A OG no hydrogen 3.260 N/A THR 130.A N LEU 127.A O no hydrogen 2.986 N/A THR 130.A OG1 SER 126.A O no hydrogen 2.689 N/A THR 130.A OG1 LEU 127.A O no hydrogen 3.430 N/A SER 131.A N GLU 122.A OE1 no hydrogen 2.951 N/A SER 131.A OG GLU 122.A OE2 no hydrogen 2.810 N/A GLY 134.A N SER 131.A OG no hydrogen 3.160 N/A TYR 135.A N SER 131.A O no hydrogen 2.990 N/A LEU 136.A N ARG 132.A O no hydrogen 3.072 N/A ASP 137.A N ASP 133.A O no hydrogen 2.923 N/A ALA 138.A N GLY 134.A O no hydrogen 2.890 N/A ILE 139.A N TYR 135.A O no hydrogen 3.134 N/A SER 140.A N LEU 136.A O no hydrogen 2.752 N/A LYS 141.A N ASP 137.A O no hydrogen 2.805 N/A LYS 141.A NZ ASP 137.A OD1 no hydrogen 2.782 N/A LYS 141.A NZ ASP 137.A OD2 no hydrogen 3.524 N/A SER 142.A N ALA 138.A O no hydrogen 2.976 N/A SER 142.A OG ASN 119.A O no hydrogen 3.409 N/A SER 142.A OG ALA 138.A O no hydrogen 2.978 N/A SER 143.A N ILE 139.A O no hydrogen 3.016 N/A SER 143.A OG ALA 185.A O no hydrogen 2.833 N/A TYR 144.A N ILE 139.A O no hydrogen 2.825 N/A SER 145.A N SER 140.A O no hydrogen 3.214 N/A SER 145.A OG HIS 115.A NE2 no hydrogen 2.904 N/A SER 145.A OG LYS 141.A O no hydrogen 2.571 N/A LEU 146.A N SER 143.A O no hydrogen 2.893 N/A SER 148.A N TYR 144.A O no hydrogen 2.958 N/A SER 148.A OG ASP 73.A OD1 no hydrogen 2.843 N/A LEU 149.A N SER 145.A O no hydrogen 2.972 N/A CYS 150.A N LEU 146.A O no hydrogen 3.194 N/A CYS 150.A SG LEU 146.A O no hydrogen 3.486 N/A LYS 151.A N ILE 147.A O no hydrogen 2.790 N/A HIS 152.A N SER 148.A O no hydrogen 3.021 N/A PHE 153.A N LEU 149.A O no hydrogen 2.820 N/A CYS 154.A N CYS 150.A O no hydrogen 3.136 N/A LYS 155.A NZ TYR 204.A OH no hydrogen 2.904 N/A PHE 156.A N PHE 153.A O no hydrogen 2.817 N/A ASN 158.A N ILE 110.A O no hydrogen 2.769 N/A ASN 158.A ND2 LYS 109.A O no hydrogen 3.370 N/A ASN 158.A ND2 SER 111.A OG no hydrogen 3.276 N/A SER 159.A OG TYR 204.A O no hydrogen 3.465 N/A GLY 160.A N ASN 205.A O no hydrogen 2.866 N/A GLY 161.A N ASN 158.A O no hydrogen 2.751 N/A SER 162.A N SER 111.A O no hydrogen 2.891 N/A SER 162.A OG LEU 257.A O no hydrogen 2.818 N/A VAL 163.A N ARG 207.A O no hydrogen 2.739 N/A VAL 164.A N LEU 113.A O no hydrogen 2.958 N/A SER 165.A N ASN 209.A O no hydrogen 3.060 N/A SER 165.A OG THR 210.A OG1 no hydrogen 3.192 N/A THR 167.A N ILE 211.A O no hydrogen 2.701 N/A THR 167.A OG1 GLU 190.A OE2 no hydrogen 2.801 N/A TYR 168.A N THR 167.A OG1 no hydrogen 2.852 N/A SER 171.A N TYR 168.A O no hydrogen 3.317 N/A SER 171.A OG TYR 168.A O no hydrogen 3.317 N/A SER 171.A OG GLU 190.A OE1 no hydrogen 3.185 N/A SER 171.A OG GLU 190.A OE2 no hydrogen 2.794 N/A GLN 172.A N GLN 169.A O no hydrogen 2.865 N/A GLN 172.A NE2 GLU 190.A OE1 no hydrogen 3.055 N/A LYS 173.A N GLN 169.A O no hydrogen 2.959 N/A TYR 178.A N VAL 175.A O no hydrogen 3.207 N/A GLY 180.A N LYS 125.A O no hydrogen 3.001 N/A MET 182.A N GLY 179.A O no hydrogen 3.068 N/A ALA 185.A N GLY 181.A O no hydrogen 2.874 N/A LYS 186.A N MET 182.A O no hydrogen 2.933 N/A LYS 186.A NZ LEU 166.A O no hydrogen 3.076 N/A ALA 187.A N SER 183.A O no hydrogen 3.234 N/A ALA 188.A N SER 184.A O no hydrogen 3.005 N/A LEU 189.A N ALA 185.A O no hydrogen 2.925 N/A GLU 190.A N LYS 186.A O no hydrogen 2.957 N/A SER 191.A N ALA 187.A O no hydrogen 3.079 N/A ASP 192.A N ALA 188.A O no hydrogen 2.694 N/A THR 193.A N LEU 189.A O no hydrogen 2.896 N/A THR 193.A OG1 LEU 189.A O no hydrogen 2.696 N/A VAL 195.A N SER 191.A O no hydrogen 3.208 N/A LEU 196.A N ASP 192.A O no hydrogen 2.875 N/A ALA 197.A N THR 193.A O no hydrogen 3.193 N/A ALA 197.A N ARG 194.A O no hydrogen 2.855 N/A TYR 198.A N ARG 194.A O no hydrogen 3.327 N/A TYR 199.A N VAL 195.A O no hydrogen 3.311 N/A LEU 200.A N LEU 196.A O no hydrogen 2.654 N/A GLY 201.A N ALA 197.A O no hydrogen 2.903 N/A ARG 202.A N TYR 198.A O no hydrogen 2.939 N/A LYS 203.A N TYR 199.A O no hydrogen 3.022 N/A TYR 204.A N LEU 200.A O no hydrogen 2.958 N/A ASN 205.A N GLY 201.A O no hydrogen 3.150 N/A ILE 206.A N LEU 200.A O no hydrogen 3.072 N/A ARG 207.A N GLY 161.A O no hydrogen 2.962 N/A ARG 207.A NH1 LEU 257.A O no hydrogen 3.096 N/A ARG 207.A NH1 VAL 265.A O no hydrogen 3.356 N/A ARG 207.A NH2 LEU 257.A O no hydrogen 3.170 N/A ILE 208.A N THR 266.A OG1 no hydrogen 3.154 N/A ASN 209.A N VAL 163.A O no hydrogen 2.863 N/A ASN 209.A ND2 VAL 265.A O no hydrogen 3.382 N/A THR 210.A N GLN 268.A O no hydrogen 2.938 N/A THR 210.A OG1 SER 165.A O no hydrogen 3.037 N/A THR 210.A OG1 SER 165.A OG no hydrogen 3.192 N/A ILE 211.A N SER 165.A O no hydrogen 2.839 N/A SER 212.A N ILE 270.A O no hydrogen 2.718 N/A ALA 213.A N THR 167.A O no hydrogen 2.927 N/A GLY 214.A N VAL 272.A O no hydrogen 3.075 N/A LYS 217.A NZ ASP 229.A OD1 no hydrogen 2.764 N/A LYS 217.A NZ ASP 229.A OD2 no hydrogen 3.476 N/A SER 218.A N LEU 216.A O no hydrogen 2.630 N/A ALA 221.A N SER 218.A OG no hydrogen 2.730 N/A THR 222.A N SER 218.A O no hydrogen 2.950 N/A THR 222.A OG1 SER 218.A O no hydrogen 3.143 N/A ALA 223.A N ARG 219.A O no hydrogen 3.098 N/A ALA 223.A N ALA 220.A O no hydrogen 3.058 N/A ILE 224.A N ALA 221.A O no hydrogen 3.233 N/A ASN 225.A N ALA 223.A O no hydrogen 3.147 N/A SER 226.A OG ASN 225.A OD1 no hydrogen 3.531 N/A TYR 230.A N SER 226.A O no hydrogen 2.967 N/A ALA 231.A N PHE 227.A O no hydrogen 2.940 N/A ILE 232.A N ILE 228.A O no hydrogen 2.753 N/A ASP 233.A N ASP 229.A O no hydrogen 3.119 N/A TYR 234.A N TYR 230.A O no hydrogen 2.865 N/A SER 235.A N ALA 231.A O no hydrogen 3.019 N/A GLU 236.A N ILE 232.A O no hydrogen 2.919 N/A LYS 237.A N ASP 233.A O no hydrogen 2.982 N/A TYR 238.A N TYR 234.A O no hydrogen 3.115 N/A TYR 238.A OH ASP 284.A OD2 no hydrogen 2.671 N/A ALA 239.A N SER 235.A O no hydrogen 2.946 N/A LEU 241.A N ASN 274.A O no hydrogen 3.193 N/A LYS 242.A NZ LYS 237.A O no hydrogen 2.741 N/A LYS 244.A NZ GLU 236.A OE2 no hydrogen 3.079 N/A LEU 246.A N ASP 249.A OD2 no hydrogen 2.697 N/A ASP 249.A N LEU 246.A O no hydrogen 2.962 N/A GLY 251.A N SER 247.A O no hydrogen 2.808 N/A SER 252.A N THR 248.A O no hydrogen 2.739 N/A SER 252.A OG THR 248.A O no hydrogen 3.192 N/A SER 252.A OG ASP 249.A O no hydrogen 3.232 N/A ALA 254.A N VAL 250.A O no hydrogen 2.921 N/A SER 255.A N GLY 251.A O no hydrogen 2.955 N/A PHE 256.A N SER 252.A O no hydrogen 3.039 N/A LEU 257.A N VAL 253.A O no hydrogen 2.710 N/A LEU 258.A N ALA 254.A O no hydrogen 2.626 N/A SER 259.A N PHE 256.A O no hydrogen 3.178 N/A SER 259.A OG PHE 256.A O no hydrogen 3.219 N/A SER 259.A OG GLU 261.A OE1 no hydrogen 2.709 N/A SER 262.A N SER 259.A O no hydrogen 3.168 N/A SER 262.A OG PHE 256.A O no hydrogen 2.672 N/A SER 262.A OG LEU 257.A O no hydrogen 3.272 N/A SER 262.A OG SER 259.A O no hydrogen 3.051 N/A SER 263.A N LYS 260.A O no hydrogen 3.161 N/A VAL 265.A N SER 262.A O no hydrogen 2.952 N/A THR 266.A OG1 ILE 208.A O no hydrogen 3.485 N/A GLY 267.A N ILE 208.A O no hydrogen 2.829 N/A GLN 268.A N ASN 209.A OD1 no hydrogen 2.994 N/A ILE 270.A N THR 210.A O no hydrogen 2.944 N/A VAL 272.A N SER 212.A O no hydrogen 3.079 N/A GLY 275.A N ASP 273.A OD1 no hydrogen 3.080 N/A LEU 276.A N ASP 273.A O no hydrogen 3.127 N/A ASN 277.A N ASP 273.A OD2 no hydrogen 3.071 N/A ILE 278.A N GLY 275.A O no hydrogen 3.018 N/A MET 279.A N LEU 276.A O no hydrogen 3.233 N/A