Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3inn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N ASP 89.A O no hydrogen 2.900 N/A ILE 5.A N LEU 91.A O no hydrogen 2.823 N/A HIS 6.A ND1 ALA 93.A O no hydrogen 2.937 N/A GLU 10.A N THR 7.A OG1 no hydrogen 3.138 N/A LEU 11.A N THR 7.A O no hydrogen 2.925 N/A ARG 12.A N ILE 8.A O no hydrogen 3.020 N/A ARG 12.A NE ILE 139.A O no hydrogen 3.422 N/A ARG 12.A NH2 ASN 138.A O no hydrogen 3.120 N/A GLN 13.A N GLU 9.A O no hydrogen 3.108 N/A ALA 14.A N GLU 10.A O no hydrogen 2.986 N/A LEU 15.A N LEU 11.A O no hydrogen 3.006 N/A ALA 16.A N ARG 12.A O no hydrogen 2.895 N/A ARG 19.A N LEU 15.A O no hydrogen 3.100 N/A ARG 19.A NH1 VAL 140.A O no hydrogen 3.521 N/A ARG 19.A NH1 GLY 141.A O no hydrogen 2.740 N/A ARG 19.A NH2 VAL 140.A O no hydrogen 2.787 N/A GLN 20.A N ALA 16.A O no hydrogen 3.036 N/A GLN 21.A N PRO 17.A O no hydrogen 2.929 N/A GLY 22.A N ARG 19.A O no hydrogen 3.309 N/A LYS 23.A N ALA 18.A O no hydrogen 3.013 N/A LYS 24.A N ASP 50.A OD2 no hydrogen 2.770 N/A ILE 25.A N ASP 143.A OD2 no hydrogen 2.719 N/A GLY 26.A N VAL 51.A O no hydrogen 2.820 N/A PHE 27.A N ALA 144.A O no hydrogen 2.930 N/A VAL 28.A N LEU 53.A O no hydrogen 2.909 N/A THR 30.A N SER 55.A O no hydrogen 2.765 N/A THR 30.A OG1 SER 55.A O no hydrogen 2.776 N/A GLY 32.A N THR 30.A OG1 no hydrogen 3.075 N/A TYR 33.A N ASP 79.A OD2 no hydrogen 2.710 N/A LEU 34.A N ASP 79.A OD1 no hydrogen 2.810 N/A HIS 35.A N HIS 38.A ND1 no hydrogen 3.000 N/A GLY 37.A N HIS 35.A ND1 no hydrogen 3.239 N/A LEU 39.A N HIS 35.A O no hydrogen 3.138 N/A GLU 40.A N LYS 36.A O no hydrogen 3.058 N/A LEU 41.A N GLY 37.A O no hydrogen 3.123 N/A VAL 42.A N HIS 38.A O no hydrogen 2.899 N/A ARG 43.A N LEU 39.A O no hydrogen 2.871 N/A ARG 43.A NE GLU 40.A OE1 no hydrogen 3.116 N/A ARG 43.A NE GLU 40.A OE2 no hydrogen 3.207 N/A ARG 43.A NH2 GLU 40.A OE2 no hydrogen 2.698 N/A ARG 44.A N GLU 40.A O no hydrogen 3.049 N/A ARG 44.A NE GLU 48.A OE2 no hydrogen 3.075 N/A ARG 44.A NH2 GLU 48.A OE2 no hydrogen 3.007 N/A ALA 45.A N LEU 41.A O no hydrogen 3.014 N/A ARG 46.A N VAL 42.A O no hydrogen 2.787 N/A VAL 47.A N ARG 43.A O no hydrogen 2.878 N/A GLU 48.A N ARG 44.A O no hydrogen 3.154 N/A GLU 48.A N ALA 45.A O no hydrogen 3.284 N/A ASN 49.A ND2 ALA 45.A O no hydrogen 2.886 N/A ASN 49.A ND2 TYR 146.A OH no hydrogen 2.821 N/A VAL 51.A N LYS 24.A O no hydrogen 2.844 N/A THR 52.A N ASP 89.A OD2 no hydrogen 2.997 N/A LEU 53.A N GLY 26.A O no hydrogen 2.809 N/A VAL 54.A N TYR 90.A O no hydrogen 2.962 N/A SER 55.A N VAL 28.A O no hydrogen 2.971 N/A ILE 56.A N PHE 92.A O no hydrogen 2.860 N/A PHE 57.A N THR 30.A O no hydrogen 3.135 N/A ASN 59.A ND2 GLN 62.A OE1 no hydrogen 2.921 N/A ASN 59.A ND2 GLY 128.A O no hydrogen 3.193 N/A GLN 62.A N ASN 59.A O no hydrogen 3.120 N/A PHE 63.A N PRO 60.A O no hydrogen 3.097 N/A GLY 64.A N GLU 67.A OE1 no hydrogen 2.744 N/A GLU 67.A N GLY 64.A O no hydrogen 3.302 N/A ARG 74.A NH1 LEU 69.A O no hydrogen 3.206 N/A ARG 78.A N ASP 75.A OD1 no hydrogen 3.175 N/A ASP 79.A N ASP 75.A O no hydrogen 2.955 N/A ALA 80.A N LEU 76.A O no hydrogen 2.697 N/A GLY 81.A N GLU 77.A O no hydrogen 3.040 N/A LEU 82.A N ARG 78.A O no hydrogen 3.087 N/A LEU 83.A N ASP 79.A O no hydrogen 3.109 N/A HIS 84.A N.A ALA 80.A O no hydrogen 2.912 N/A HIS 84.A N.B ALA 80.A O no hydrogen 2.874 N/A ASP 85.A N GLY 81.A O no hydrogen 3.129 N/A ALA 86.A N LEU 82.A O no hydrogen 2.993 N/A GLN 87.A N HIS 84.A O.A no hydrogen 2.940 N/A GLN 87.A N HIS 84.A O.B no hydrogen 2.891 N/A VAL 88.A N LEU 83.A O no hydrogen 3.175 N/A ASP 89.A N THR 52.A O no hydrogen 3.133 N/A TYR 90.A N THR 52.A O no hydrogen 3.236 N/A LEU 91.A N GLN 3.A O no hydrogen 2.967 N/A PHE 92.A N VAL 54.A O no hydrogen 2.791 N/A ALA 93.A N ILE 5.A O no hydrogen 2.900 N/A THR 95.A N ASP 98.A OD2 no hydrogen 2.898 N/A THR 95.A OG1 ASP 98.A OD2 no hydrogen 2.660 N/A ASP 98.A N THR 95.A O no hydrogen 3.019 N/A ASP 98.A N THR 95.A OG1 no hydrogen 3.299 N/A MET 99.A N THR 95.A O no hydrogen 3.075 N/A MET 99.A N VAL 96.A O no hydrogen 3.209 N/A TYR 100.A N VAL 96.A O no hydrogen 2.741 N/A TYR 100.A OH ASN 59.A OD1 no hydrogen 2.707 N/A VAL 108.A N THR 131.A OG1 no hydrogen 2.845 N/A VAL 110.A N ASP 109.A OD1 no hydrogen 2.675 N/A GLY 114.A N VAL 110.A O no hydrogen 2.900 N/A ASN 115.A N PRO 111.A O no hydrogen 3.129 N/A GLU 118.A N GLN 153.A OE1 no hydrogen 3.224 N/A GLY 119.A N GLN 116.A O no hydrogen 3.025 N/A GLU 120.A N ILE 117.A O no hydrogen 2.864 N/A ARG 122.A N GLU 118.A O no hydrogen 2.814 N/A ARG 122.A NE GLU 67.A OE1 no hydrogen 3.332 N/A ARG 122.A NE GLU 67.A OE2 no hydrogen 2.652 N/A ARG 122.A NH1 GLU 118.A OE1 no hydrogen 3.368 N/A ARG 122.A NH2 GLU 67.A OE1 no hydrogen 2.552 N/A HIS 125.A N ARG 122.A O no hydrogen 3.092 N/A HIS 125.A ND1 GLN 62.A O no hydrogen 2.661 N/A GLY 128.A N GLY 124.A O no hydrogen 3.080 N/A VAL 129.A N HIS 125.A O no hydrogen 3.084 N/A ALA 130.A N PHE 126.A O no hydrogen 2.783 N/A THR 131.A N ALA 127.A O no hydrogen 2.915 N/A THR 131.A OG1 VAL 108.A O no hydrogen 3.121 N/A THR 131.A OG1 ALA 127.A O no hydrogen 2.654 N/A VAL 132.A N GLY 128.A O no hydrogen 3.061 N/A VAL 133.A N VAL 129.A O no hydrogen 2.946 N/A SER 134.A N ALA 130.A O no hydrogen 3.011 N/A SER 134.A OG ALA 130.A O no hydrogen 3.074 N/A LYS 135.A N THR 131.A O no hydrogen 3.085 N/A LYS 135.A NZ MET 99.A O no hydrogen 2.755 N/A LEU 136.A N VAL 132.A O no hydrogen 2.782 N/A PHE 137.A N VAL 133.A O no hydrogen 2.948 N/A ASN 138.A N SER 134.A O no hydrogen 3.022 N/A ILE 139.A N LYS 135.A O no hydrogen 2.918 N/A VAL 140.A N LEU 136.A O no hydrogen 2.875 N/A GLY 141.A N PHE 137.A O no hydrogen 2.818 N/A ASP 143.A N ILE 25.A O no hydrogen 2.797 N/A ALA 144.A N ILE 25.A O no hydrogen 3.173 N/A ALA 145.A N ARG 170.A O no hydrogen 2.858 N/A TYR 146.A N PHE 27.A O no hydrogen 3.016 N/A TYR 146.A OH GLU 48.A OE1 no hydrogen 2.734 N/A PHE 147.A N VAL 172.A O no hydrogen 2.937 N/A GLU 149.A N VAL 174.A O no hydrogen 3.036 N/A ASP 151.A N GLY 148.A O no hydrogen 3.327 N/A GLN 153.A NE2 LEU 113.A O no hydrogen 2.893 N/A GLN 153.A NE2 GLN 116.A O no hydrogen 2.676 N/A LEU 155.A N ASP 151.A O no hydrogen 3.075 N/A VAL 156.A N PHE 152.A O no hydrogen 3.062 N/A ILE 157.A N GLN 153.A O no hydrogen 2.943 N/A ILE 158.A N GLN 154.A O no hydrogen 2.890 N/A ARG 159.A N LEU 155.A O no hydrogen 2.942 N/A ARG 159.A NH1 ILE 171.A O no hydrogen 3.263 N/A ARG 160.A N VAL 156.A O no hydrogen 3.004 N/A ARG 160.A NE.A ASP 164.A OD1 no hydrogen 3.077 N/A ARG 160.A NE.A ASP 164.A OD2 no hydrogen 3.172 N/A ARG 160.A NH1.B ASP 164.A OD1 no hydrogen 2.867 N/A ARG 160.A NH1.B ASP 164.A OD2 no hydrogen 3.321 N/A ARG 160.A NH2.A ASP 164.A OD1 no hydrogen 3.155 N/A MET 161.A N ILE 157.A O no hydrogen 2.828 N/A VAL 162.A N ILE 158.A O no hydrogen 2.821 N/A ASP 163.A N ARG 159.A O no hydrogen 2.922 N/A ASP 164.A N ARG 160.A O no hydrogen 2.742 N/A MET 165.A N MET 161.A O no hydrogen 2.926 N/A ALA 166.A N ASP 163.A O no hydrogen 3.275 N/A ILE 167.A N VAL 162.A O no hydrogen 3.028 N/A VAL 169.A N ILE 167.A O no hydrogen 2.844 N/A ARG 170.A N ASP 143.A O no hydrogen 2.802 N/A ARG 170.A NH1 GLU 48.A OE1 no hydrogen 3.106 N/A ARG 170.A NH2 GLU 48.A OE1 no hydrogen 3.318 N/A VAL 172.A N ALA 145.A O no hydrogen 2.834 N/A VAL 174.A N PHE 147.A O no hydrogen 2.969 N/A ARG 178.A NH1 GLY 182.A O no hydrogen 3.049 N/A ARG 178.A NH1 ASP 277.A OD2 no hydrogen 2.952 N/A ARG 178.A NH2 ASP 277.A OD1 no hydrogen 3.175 N/A GLU 179.A N LEU 183.A O no hydrogen 2.733 N/A GLY 182.A N GLU 179.A O no hydrogen 2.857 N/A CYS 185.A N VAL 177.A O no hydrogen 3.286 N/A CYS 185.A SG VAL 177.A O no hydrogen 3.427 N/A SER 187.A OG GLY 32.A O no hydrogen 3.219 N/A SER 187.A OG TYR 33.A O no hydrogen 2.795 N/A ARG 188.A NE ASP 68.A OD2 no hydrogen 2.554 N/A ARG 188.A NH2 ASP 68.A OD1 no hydrogen 3.006 N/A ARG 188.A NH2 ASP 68.A OD2 no hydrogen 3.234 N/A ASN 189.A N SER 186.A O no hydrogen 2.911 N/A ASN 189.A ND2 ALA 184.A O no hydrogen 3.053 N/A VAL 190.A N SER 187.A O no hydrogen 3.322 N/A TYR 191.A N ARG 188.A O no hydrogen 2.929 N/A TYR 191.A OH ASP 68.A OD2 no hydrogen 2.795 N/A LEU 192.A N ASN 189.A O no hydrogen 3.049 N/A GLN 196.A N THR 193.A OG1 no hydrogen 3.362 N/A ARG 197.A N THR 193.A O no hydrogen 2.795 N/A ARG 197.A NE GLU 179.A OE1 no hydrogen 3.156 N/A ARG 197.A NH1 ASP 181.A OD2 no hydrogen 2.887 N/A ARG 197.A NH1 ARG 197.A O no hydrogen 2.568 N/A ARG 197.A NH2 GLU 179.A OE1 no hydrogen 2.663 N/A ARG 197.A NH2 ASP 181.A OD2 no hydrogen 2.724 N/A ARG 198.A N PRO 194.A O no hydrogen 2.875 N/A ALA 199.A N GLU 195.A O no hydrogen 2.774 N/A ILE 201.A N ARG 198.A O no hydrogen 3.503 N/A ILE 202.A N ALA 199.A O no hydrogen 3.408 N/A VAL 203.A N ALA 200.A O no hydrogen 3.149 N/A GLN 205.A N ILE 201.A O no hydrogen 3.248 N/A ALA 206.A N ILE 202.A O no hydrogen 2.730 N/A LEU 207.A N PRO 204.A O no hydrogen 3.178 N/A ASP 208.A N PRO 204.A O no hydrogen 3.187 N/A GLU 209.A N GLN 205.A O no hydrogen 2.831 N/A ALA 210.A N ALA 206.A O no hydrogen 3.256 N/A ASP 211.A N LEU 207.A O no hydrogen 2.987 N/A ARG 212.A N ASP 208.A O no hydrogen 3.320 N/A ARG 212.A NE GLU 209.A OE1 no hydrogen 3.346 N/A ARG 212.A NH1 GLU 209.A OE1 no hydrogen 3.419 N/A LEU 213.A N GLU 209.A O no hydrogen 2.931 N/A TYR 214.A N ALA 210.A O no hydrogen 2.984 N/A TYR 214.A OH LEU 257.A O no hydrogen 3.190 N/A TYR 214.A OH ARG 260.A O no hydrogen 2.986 N/A ARG 215.A N ASP 211.A O no hydrogen 2.929 N/A SER 216.A N ARG 212.A O no hydrogen 2.457 N/A SER 216.A OG LEU 213.A O no hydrogen 2.545 N/A GLY 217.A N TYR 214.A O no hydrogen 3.101 N/A MET 218.A N LEU 213.A O no hydrogen 3.257 N/A ALA 223.A N ASP 220.A OD2 no hydrogen 2.946 N/A LEU 224.A N ASP 220.A O no hydrogen 2.863 N/A GLU 225.A N PRO 221.A O no hydrogen 2.883 N/A ALA 226.A N ASP 222.A O no hydrogen 2.866 N/A ALA 227.A N ALA 223.A O no hydrogen 3.331 N/A ILE 228.A N LEU 224.A O no hydrogen 3.172 N/A ARG 229.A N GLU 225.A O no hydrogen 2.773 N/A THR 230.A N ALA 226.A O no hydrogen 3.097 N/A THR 230.A OG1 ALA 226.A O no hydrogen 3.500 N/A PHE 231.A N ALA 227.A O no hydrogen 3.271 N/A ILE 232.A N ILE 228.A O no hydrogen 3.012 N/A ARG 234.A N THR 230.A O no hydrogen 3.375 N/A GLN 235.A N ILE 232.A O no hydrogen 3.262 N/A ALA 238.A N GLN 235.A O no hydrogen 3.410 N/A VAL 239.A N ARG 269.A O no hydrogen 2.686 N/A GLU 241.A N PHE 267.A O no hydrogen 3.004 N/A VAL 242.A N PHE 267.A O no hydrogen 3.144 N/A ALA 244.A N ALA 265.A O no hydrogen 2.803 N/A ARG 246.A N LEU 263.A O no hydrogen 2.995 N/A ARG 246.A NH1 LEU 251.A O no hydrogen 2.850 N/A ASP 247.A N GLU 252.A O no hydrogen 2.983 N/A GLU 249.A N ASP 247.A OD1 no hydrogen 3.220 N/A LEU 251.A N ASP 247.A O no hydrogen 2.860 N/A GLU 252.A N THR 250.A OG1 no hydrogen 3.154 N/A LEU 257.A N ASP 219.A OD1 no hydrogen 2.709 N/A ARG 260.A N TYR 214.A OH no hydrogen 3.267 N/A ARG 260.A N LEU 257.A O no hydrogen 3.173 N/A ILE 262.A N ILE 281.A O no hydrogen 2.823 N/A LEU 263.A N ARG 246.A O no hydrogen 2.821 N/A VAL 264.A N ARG 279.A O no hydrogen 2.794 N/A ALA 265.A N ALA 244.A O no hydrogen 2.865 N/A LEU 266.A N ASP 277.A O no hydrogen 2.858 N/A PHE 267.A N VAL 242.A O no hydrogen 2.744 N/A VAL 268.A N LEU 275.A O no hydrogen 2.881 N/A VAL 270.A N THR 273.A O no hydrogen 2.956 N/A THR 273.A N VAL 270.A O no hydrogen 3.336 N/A LEU 275.A N VAL 268.A O no hydrogen 2.935 N/A ASP 277.A N LEU 266.A O no hydrogen 3.035 N/A ASN 278.A N ASP 277.A OD1 no hydrogen 2.737 N/A ARG 279.A N VAL 264.A O no hydrogen 2.912 N/A ARG 279.A NH1 ASP 208.A OD1 no hydrogen 3.088 N/A ILE 281.A N ILE 262.A O no hydrogen 2.667 N/A