Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ffj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A SG CYS 1.A O no hydrogen 3.816 N/A LEU 6.A N PRO 2.A O no hydrogen 3.154 N/A GLY 7.A N SER 3.A O no hydrogen 3.072 N/A ARG 8.A N CYS 4.A O no hydrogen 2.775 N/A VAL 9.A N LEU 5.A O no hydrogen 2.818 N/A TYR 10.A N LEU 6.A O no hydrogen 3.249 N/A TYR 11.A N GLY 7.A O no hydrogen 3.023 N/A GLU 12.A N ARG 8.A O no hydrogen 2.979 N/A ALA 13.A N VAL 9.A O no hydrogen 3.095 N/A LYS 14.A N TYR 10.A O no hydrogen 3.026 N/A LEU 15.A N TYR 11.A O no hydrogen 2.919 N/A VAL 16.A N GLU 12.A O no hydrogen 3.315 N/A VAL 16.A N ALA 13.A O no hydrogen 2.968 N/A THR 17.A N ALA 13.A O no hydrogen 2.890 N/A ASP 19.A N THR 17.A OG1 no hydrogen 2.760 N/A LEU 22.A N ASP 19.A OD1 no hydrogen 3.348 N/A ILE 23.A N ASP 19.A O no hydrogen 2.998 N/A SER 24.A N GLU 20.A O no hydrogen 2.805 N/A SER 24.A OG GLU 20.A O no hydrogen 2.820 N/A SER 24.A OG ASP 21.A O no hydrogen 3.170 N/A GLN 25.A N ASP 21.A O no hydrogen 2.862 N/A GLN 25.A NE2 GLU 29.A OE2 no hydrogen 3.429 N/A CYS 26.A N LEU 22.A O no hydrogen 2.895 N/A CYS 26.A SG LEU 22.A O no hydrogen 3.182 N/A CYS 26.A SG VAL 50.A O no hydrogen 3.945 N/A VAL 27.A N ILE 23.A O no hydrogen 3.055 N/A ASP 28.A N SER 24.A O no hydrogen 2.737 N/A GLU 29.A N GLN 25.A O no hydrogen 2.915 N/A SER 30.A N CYS 26.A O no hydrogen 3.008 N/A SER 30.A OG CYS 26.A O no hydrogen 2.631 N/A LEU 31.A N VAL 27.A O no hydrogen 2.933 N/A LYS 32.A N ASP 28.A O no hydrogen 3.060 N/A ILE 33.A N GLU 29.A O no hydrogen 3.256 N/A LEU 34.A N SER 30.A O no hydrogen 2.962 N/A ALA 35.A N LEU 31.A O no hydrogen 2.963 N/A GLU 36.A N LYS 32.A O no hydrogen 3.130 N/A ASN 37.A N ILE 33.A O no hydrogen 3.064 N/A LEU 42.A N ASN 39.A OD1 no hydrogen 3.154 N/A ALA 43.A N ASN 39.A O no hydrogen 3.147 N/A THR 44.A N ALA 40.A O no hydrogen 2.918 N/A THR 44.A OG1 ALA 40.A O no hydrogen 2.729 N/A ARG 45.A N HIS 41.A O no hydrogen 2.983 N/A ILE 46.A N LEU 42.A O no hydrogen 2.852 N/A HIS 47.A N ALA 43.A O no hydrogen 2.887 N/A HIS 47.A ND1 GLU 12.A OE1 no hydrogen 3.195 N/A ARG 48.A N THR 44.A O no hydrogen 2.921 N/A ARG 48.A NH1 GLU 207.A OE2 no hydrogen 3.004 N/A ARG 48.A NH2 LYS 199.A O no hydrogen 3.121 N/A ARG 48.A NH2 GLU 207.A OE1 no hydrogen 3.063 N/A ARG 48.A NH2 GLU 207.A OE2 no hydrogen 3.496 N/A ARG 49.A N ARG 45.A O no hydrogen 3.090 N/A ARG 49.A NE GLU 29.A OE1 no hydrogen 2.943 N/A ARG 49.A NH2 GLU 29.A OE1 no hydrogen 3.545 N/A ARG 49.A NH2 GLU 29.A OE2 no hydrogen 3.376 N/A VAL 50.A N ILE 46.A O no hydrogen 2.969 N/A TYR 51.A N HIS 47.A O no hydrogen 2.840 N/A GLU 52.A N ARG 48.A O no hydrogen 2.982 N/A ILE 53.A N ARG 49.A O no hydrogen 2.963 N/A LEU 54.A N VAL 50.A O no hydrogen 3.061 N/A GLY 55.A N GLU 52.A O no hydrogen 3.055 N/A VAL 56.A N TYR 51.A O no hydrogen 3.081 N/A TYR 60.A N ASP 58.A OD1 no hydrogen 2.880 N/A TYR 60.A OH GLU 12.A OE2 no hydrogen 2.695 N/A ALA 61.A N ASP 58.A O no hydrogen 3.205 N/A LYS 64.A N TYR 60.A O no hydrogen 2.803 N/A LYS 64.A NZ ASP 58.A OD2 no hydrogen 2.753 N/A LYS 64.A NZ ASP 176.A O no hydrogen 3.495 N/A ALA 65.A N ALA 61.A O no hydrogen 3.089 N/A ARG 66.A N GLU 62.A O no hydrogen 3.084 N/A ALA 67.A N VAL 63.A O no hydrogen 3.339 N/A ASN 68.A N LYS 64.A O no hydrogen 2.952 N/A ASN 68.A ND2 ASP 181.A OD1 no hydrogen 3.019 N/A GLU 69.A N ALA 65.A O no hydrogen 2.818 N/A VAL 70.A N ARG 66.A O no hydrogen 2.999 N/A ALA 71.A N ALA 67.A O no hydrogen 3.008 N/A ARG 72.A N ASN 68.A O no hydrogen 2.899 N/A GLN 73.A N GLU 69.A O no hydrogen 3.065 N/A VAL 74.A N VAL 70.A O no hydrogen 3.014 N/A VAL 74.A N ALA 71.A O no hydrogen 3.243 N/A LEU 75.A N ALA 71.A O no hydrogen 2.844 N/A LEU 77.A N VAL 74.A O no hydrogen 2.950 N/A ALA 78.A N VAL 74.A O no hydrogen 3.030 N/A LYS 79.A N LEU 75.A O no hydrogen 2.807 N/A LYS 79.A NZ GLU 83.A OE2 no hydrogen 2.650 N/A GLU 80.A N PRO 76.A O no hydrogen 3.089 N/A ILE 81.A N LEU 77.A O no hydrogen 3.145 N/A VAL 82.A N ALA 78.A O no hydrogen 3.075 N/A GLU 83.A N LYS 79.A O no hydrogen 2.870 N/A GLY 84.A N GLU 80.A O no hydrogen 2.907 N/A SER 85.A N VAL 82.A O no hydrogen 3.065 N/A SER 85.A OG VAL 82.A O no hydrogen 2.990 N/A SER 85.A OG THR 91.A OG1 no hydrogen 2.992 N/A LYS 90.A N ASP 87.A OD1 no hydrogen 3.294 N/A THR 91.A N ASP 87.A O no hydrogen 2.990 N/A THR 91.A OG1 SER 85.A OG no hydrogen 2.992 N/A THR 91.A OG1 ASP 87.A O no hydrogen 3.161 N/A ALA 92.A N PRO 88.A O no hydrogen 2.702 N/A VAL 93.A N PHE 89.A O no hydrogen 2.977 N/A ILE 94.A N LYS 90.A O no hydrogen 2.969 N/A VAL 95.A N THR 91.A O no hydrogen 2.882 N/A SER 96.A N ALA 92.A O no hydrogen 2.971 N/A SER 96.A OG VAL 93.A O no hydrogen 2.662 N/A ILE 97.A N VAL 93.A O no hydrogen 3.144 N/A VAL 98.A N ILE 94.A O no hydrogen 2.948 N/A GLY 99.A N VAL 95.A O no hydrogen 2.878 N/A ASN 101.A N VAL 98.A O no hydrogen 2.828 N/A PHE 102.A N GLY 99.A O no hydrogen 3.468 N/A GLU 108.A N VAL 105.A O no hydrogen 3.346 N/A PHE 110.A N VAL 106.A O no hydrogen 3.093 N/A ARG 111.A N GLU 107.A O no hydrogen 3.335 N/A ASP 112.A N GLU 108.A O no hydrogen 3.352 N/A PHE 113.A N GLU 109.A O no hydrogen 2.957 N/A LEU 114.A N PHE 110.A O no hydrogen 2.907 N/A LYS 115.A N ARG 111.A O no hydrogen 3.045 N/A ARG 116.A N ASP 112.A O no hydrogen 2.902 N/A LYS 117.A N PHE 113.A O no hydrogen 2.952 N/A LYS 117.A NZ GLU 120.A OE1 no hydrogen 3.104 N/A VAL 118.A N LEU 114.A O no hydrogen 2.989 N/A GLN 119.A N LYS 115.A O no hydrogen 3.210 N/A GLU 120.A N ARG 116.A O no hydrogen 3.070 N/A GLY 121.A N LYS 117.A O no hydrogen 2.957 N/A ASP 126.A N ALA 260.A O no hydrogen 2.992 N/A THR 127.A N ASN 125.A OD1 no hydrogen 3.440 N/A THR 127.A OG1 ASN 125.A OD1 no hydrogen 2.748 N/A ARG 129.A NE GLU 132.A OE1 no hydrogen 3.019 N/A ARG 129.A NH2 GLU 132.A OE1 no hydrogen 2.965 N/A ILE 130.A N ASP 126.A O no hydrogen 2.988 N/A LYS 131.A N THR 127.A O no hydrogen 2.869 N/A GLU 132.A N GLU 128.A O no hydrogen 3.032 N/A LEU 133.A N ARG 129.A O no hydrogen 2.983 N/A SER 134.A N ILE 130.A O no hydrogen 2.974 N/A SER 134.A N LYS 131.A O no hydrogen 3.229 N/A SER 134.A OG ILE 130.A O no hydrogen 2.853 N/A SER 135.A N GLU 132.A O no hydrogen 3.473 N/A GLY 136.A N LEU 133.A O no hydrogen 3.331 N/A LYS 137.A N ASP 220.A OD2 no hydrogen 2.937 N/A VAL 138.A N LYS 163.A O no hydrogen 2.735 N/A VAL 139.A N LEU 221.A O no hydrogen 2.925 N/A TYR 140.A N THR 165.A O no hydrogen 2.640 N/A TYR 140.A OH ASP 151.A OD1 no hydrogen 2.536 N/A LEU 141.A N VAL 223.A O no hydrogen 2.609 N/A THR 142.A N VAL 167.A O no hydrogen 3.149 N/A THR 142.A OG1 VAL 167.A O no hydrogen 2.775 N/A ASN 144.A N GLU 147.A OE1 no hydrogen 2.990 N/A ALA 145.A N SER 175.A O no hydrogen 2.923 N/A GLY 146.A N ASN 68.A OD1 no hydrogen 2.678 N/A GLU 147.A N ALA 145.A O no hydrogen 2.765 N/A ILE 148.A N ASN 144.A O no hydrogen 3.144 N/A PHE 149.A N GLY 146.A O no hydrogen 2.967 N/A ASP 151.A N GLU 147.A O no hydrogen 2.868 N/A THR 152.A N PHE 149.A O no hydrogen 3.228 N/A THR 152.A OG1 PHE 149.A O no hydrogen 2.610 N/A LEU 153.A N PHE 150.A O no hydrogen 3.142 N/A GLU 156.A N LEU 153.A O no hydrogen 3.248 N/A ILE 157.A N LEU 154.A O no hydrogen 2.864 N/A LYS 158.A NZ ASP 192.A OD1 no hydrogen 3.453 N/A ARG 159.A N LYS 155.A O no hydrogen 3.186 N/A ARG 159.A N GLU 156.A O no hydrogen 3.186 N/A ARG 159.A NE GLU 156.A OE1 no hydrogen 3.292 N/A ARG 159.A NH2 GLU 156.A OE2 no hydrogen 3.490 N/A ARG 160.A N ILE 157.A O no hydrogen 2.975 N/A ARG 160.A NE LYS 131.A O no hydrogen 3.041 N/A ARG 160.A NH2 LYS 131.A O no hydrogen 3.247 N/A CYS 161.A N ILE 157.A O no hydrogen 3.155 N/A CYS 161.A SG ILE 157.A O no hydrogen 3.577 N/A GLU 162.A N SER 135.A O no hydrogen 3.086 N/A GLU 162.A N GLY 136.A O no hydrogen 3.106 N/A LEU 164.A N ASP 192.A OD2 no hydrogen 2.856 N/A THR 165.A N VAL 138.A O no hydrogen 2.840 N/A ALA 166.A N GLU 193.A O no hydrogen 2.970 N/A VAL 167.A N TYR 140.A O no hydrogen 2.905 N/A VAL 168.A N LEU 195.A O no hydrogen 2.889 N/A ARG 169.A N ALA 177.A O no hydrogen 3.007 N/A ARG 169.A NE ALA 201.A O no hydrogen 2.978 N/A ARG 169.A NH1 THR 142.A O no hydrogen 2.855 N/A ARG 169.A NH2 GLY 203.A O no hydrogen 2.784 N/A ARG 169.A NH2 ASN 228.A OD1 no hydrogen 2.998 N/A GLY 170.A N ASN 197.A OD1 no hydrogen 3.373 N/A ILE 174.A N TYR 51.A OH no hydrogen 2.973 N/A ASP 176.A N ILE 173.A O no hydrogen 3.059 N/A ALA 177.A N ASP 143.A O no hydrogen 2.801 N/A THR 178.A N ASP 181.A OD2 no hydrogen 2.759 N/A THR 178.A OG1 ASP 181.A OD2 no hydrogen 2.851 N/A ALA 182.A N THR 178.A O no hydrogen 3.152 N/A ARG 183.A N ILE 179.A O no hydrogen 2.966 N/A LEU 184.A N GLU 180.A O no hydrogen 2.868 N/A ALA 185.A N ASP 181.A O no hydrogen 3.052 N/A ARG 186.A N ARG 183.A O no hydrogen 2.930 N/A VAL 187.A N ALA 182.A O no hydrogen 2.859 N/A LYS 189.A N ARG 186.A O no hydrogen 2.959 N/A LYS 189.A NZ ASP 188.A OD2 no hydrogen 3.385 N/A ILE 190.A N VAL 187.A O no hydrogen 3.157 N/A ALA 191.A N VAL 187.A O no hydrogen 2.885 N/A ASP 192.A N LEU 164.A O no hydrogen 2.800 N/A GLU 193.A N LEU 164.A O no hydrogen 3.233 N/A LEU 195.A N ALA 166.A O no hydrogen 2.756 N/A ASN 197.A N VAL 168.A O no hydrogen 2.946 N/A ASN 197.A ND2 ALA 201.A O no hydrogen 3.082 N/A ASN 197.A ND2 GLY 203.A O no hydrogen 3.236 N/A GLY 198.A N THR 196.A OG1 no hydrogen 2.929 N/A ILE 202.A N THR 44.A OG1 no hydrogen 3.110 N/A GLU 207.A N ILE 205.A O no hydrogen 2.806 N/A THR 212.A OG1 THR 196.A O no hydrogen 2.673 N/A ARG 213.A N PRO 209.A O no hydrogen 3.056 N/A LYS 214.A N ASP 210.A O no hydrogen 3.008 N/A ALA 215.A N GLU 211.A O no hydrogen 3.039 N/A LEU 216.A N THR 212.A O no hydrogen 2.969 N/A GLU 217.A N ARG 213.A O no hydrogen 2.940 N/A GLU 218.A N LYS 214.A O no hydrogen 2.914 N/A ASP 220.A N LYS 137.A O no hydrogen 2.737 N/A LEU 221.A N LYS 137.A O no hydrogen 3.283 N/A ILE 222.A N PRO 236.A O no hydrogen 3.110 N/A VAL 223.A N VAL 139.A O no hydrogen 2.714 N/A ALA 224.A N ALA 238.A O no hydrogen 2.875 N/A LYS 225.A N LEU 141.A O no hydrogen 3.045 N/A LYS 225.A NZ SER 96.A O no hydrogen 2.703 N/A LYS 225.A NZ GLU 147.A OE2 no hydrogen 2.662 N/A LYS 225.A NZ ASP 151.A OD1 no hydrogen 2.510 N/A GLY 226.A N LEU 240.A O no hydrogen 2.879 N/A ASN 228.A ND2 THR 142.A O no hydrogen 3.084 N/A ASN 228.A ND2 LYS 225.A O no hydrogen 2.729 N/A TYR 229.A N GLY 226.A O no hydrogen 3.184 N/A CYS 231.A N ALA 227.A O no hydrogen 3.001 N/A CYS 231.A SG ILE 204.A O no hydrogen 3.615 N/A CYS 231.A SG ALA 227.A O no hydrogen 3.426 N/A LEU 232.A N ASN 228.A O no hydrogen 2.980 N/A LEU 232.A N TYR 229.A O no hydrogen 3.271 N/A SER 233.A N TYR 229.A O no hydrogen 3.032 N/A SER 233.A OG TYR 229.A O no hydrogen 2.773 N/A ILE 237.A N VAL 263.A O no hydrogen 3.012 N/A ALA 238.A N ILE 222.A O no hydrogen 2.783 N/A PHE 239.A N LYS 261.A O no hydrogen 2.751 N/A LEU 240.A N ALA 224.A O no hydrogen 2.961 N/A LEU 241.A N VAL 259.A O no hydrogen 3.043 N/A ALA 243.A N ASP 258.A O no hydrogen 3.019 N/A LYS 244.A NZ ASN 101.A OD1 no hydrogen 2.983 N/A ALA 249.A N CYS 245.A O no hydrogen 2.908 N/A ARG 250.A N GLU 246.A O no hydrogen 2.881 N/A ASP 251.A N PRO 247.A O no hydrogen 3.015 N/A ILE 252.A N VAL 248.A O no hydrogen 3.036 N/A GLY 253.A N ALA 249.A O no hydrogen 2.746 N/A VAL 254.A N ALA 249.A O no hydrogen 3.017 N/A ASN 255.A N ASP 258.A OD2 no hydrogen 2.742 N/A GLY 257.A N ALA 243.A O no hydrogen 2.727 N/A ASP 258.A N ASN 255.A O no hydrogen 3.033 N/A ALA 260.A N ILE 124.A O no hydrogen 2.927 N/A LYS 261.A N PHE 239.A O no hydrogen 2.961 N/A LYS 261.A NZ ILE 252.A O no hydrogen 3.156 N/A VAL 262.A N ASP 126.A OD2 no hydrogen 2.818 N/A VAL 263.A N ILE 237.A O no hydrogen 2.755 N/A