Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8cie_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N ARG 19.A O no hydrogen 2.779 N/A LEU 4.A N LYS 17.A O no hydrogen 2.724 N/A GLY 5.A N LYS 17.A O no hydrogen 3.182 N/A VAL 7.A N VAL 15.A O no hydrogen 2.915 N/A GLY 8.A N VAL 15.A O no hydrogen 3.388 N/A VAL 14.A N LYS 31.A O no hydrogen 2.407 N/A VAL 15.A N GLY 8.A O no hydrogen 2.863 N/A LEU 16.A N ILE 29.A O no hydrogen 2.701 N/A LYS 17.A N GLY 5.A O no hydrogen 3.020 N/A LYS 17.A NZ TYR 68.A OH no hydrogen 3.312 N/A CYS 18.A N VAL 27.A O no hydrogen 2.841 N/A CYS 18.A SG LEU 16.A O no hydrogen 3.602 N/A ARG 19.A N GLU 2.A O no hydrogen 2.896 N/A ARG 19.A NH1 GLU 2.A OE2 no hydrogen 2.633 N/A HIS 20.A N GLU 25.A O no hydrogen 3.237 N/A GLU 22.A N HIS 20.A ND1 no hydrogen 3.333 N/A GLU 25.A N THR 23.A O no hydrogen 2.623 N/A VAL 27.A N CYS 18.A O no hydrogen 2.671 N/A ALA 28.A N PHE 66.A O no hydrogen 3.004 N/A ILE 29.A N LEU 16.A O no hydrogen 2.878 N/A LYS 30.A N LEU 64.A O no hydrogen 2.837 N/A LYS 30.A NZ GLU 42.A OE1 no hydrogen 2.418 N/A LYS 31.A N VAL 14.A O no hydrogen 2.851 N/A GLU 34.A N THR 38.A OG1 no hydrogen 2.492 N/A LEU 40.A N THR 38.A OG1 no hydrogen 3.025 N/A GLU 42.A N THR 38.A O no hydrogen 3.136 N/A LEU 43.A N THR 39.A O no hydrogen 2.859 N/A MET 45.A N ARG 41.A O no hydrogen 2.575 N/A LEU 46.A N GLU 42.A O no hydrogen 2.684 N/A ARG 47.A N LYS 44.A O no hydrogen 2.807 N/A THR 48.A N LYS 44.A O no hydrogen 3.048 N/A LEU 49.A N MET 45.A O no hydrogen 2.897 N/A LYS 50.A N THR 48.A O no hydrogen 2.556 N/A GLN 51.A NE2 ASN 53.A OD1 no hydrogen 3.126 N/A ASN 53.A ND2 LEU 126.A O no hydrogen 3.029 N/A ILE 54.A N GLN 51.A O no hydrogen 2.931 N/A VAL 55.A N LEU 128.A O no hydrogen 2.847 N/A GLU 56.A N GLU 67.A OE2 no hydrogen 3.052 N/A LYS 58.A N VAL 65.A O no hydrogen 3.037 N/A LYS 58.A NZ GLU 25.A OE2 no hydrogen 3.383 N/A LYS 58.A NZ ILE 26.A O no hydrogen 3.534 N/A GLU 59.A N VAL 65.A O no hydrogen 3.384 N/A PHE 61.A N TYR 63.A O no hydrogen 2.947 N/A VAL 65.A N GLU 59.A O no hydrogen 3.043 N/A PHE 66.A N ALA 28.A O no hydrogen 2.703 N/A GLU 67.A N GLU 56.A O no hydrogen 3.144 N/A LYS 71.A NZ GLU 79.A OE2 no hydrogen 3.431 N/A ASN 72.A N GLU 75.A OE1 no hydrogen 3.398 N/A ASN 72.A ND2 GLU 116.A O no hydrogen 3.614 N/A MET 73.A N LEU 118.A O no hydrogen 2.891 N/A GLU 75.A N ASN 72.A OD1 no hydrogen 2.807 N/A LEU 76.A N ASN 72.A O no hydrogen 3.212 N/A LEU 77.A N MET 73.A O no hydrogen 2.945 N/A GLU 78.A N LEU 74.A O no hydrogen 3.226 N/A GLU 79.A N GLU 75.A O no hydrogen 2.981 N/A MET 80.A N LEU 76.A O no hydrogen 2.633 N/A GLY 83.A N MET 80.A O no hydrogen 3.176 N/A VAL 84.A N LEU 181.A O no hydrogen 2.918 N/A LYS 88.A NZ ASP 124.A OD2 no hydrogen 2.876 N/A VAL 89.A N PRO 85.A O no hydrogen 3.066 N/A LYS 90.A N PRO 86.A O no hydrogen 3.227 N/A LYS 90.A NZ THR 273.A O no hydrogen 2.790 N/A LYS 90.A NZ THR 273.A OG1 no hydrogen 3.311 N/A SER 91.A N GLU 87.A O no hydrogen 3.014 N/A TYR 92.A N LYS 88.A O no hydrogen 2.900 N/A TYR 92.A OH ASP 124.A OD1 no hydrogen 2.691 N/A ILE 93.A N VAL 89.A O no hydrogen 3.154 N/A TYR 94.A N LYS 90.A O no hydrogen 2.937 N/A GLN 95.A N SER 91.A O no hydrogen 2.960 N/A GLN 95.A NE2 SER 91.A O no hydrogen 3.356 N/A GLN 95.A NE2 SER 91.A OG no hydrogen 3.088 N/A GLN 95.A NE2 ASP 124.A O no hydrogen 3.317 N/A LEU 96.A N TYR 92.A O no hydrogen 2.773 N/A ILE 97.A N ILE 93.A O no hydrogen 2.792 N/A LYS 98.A N TYR 94.A O no hydrogen 2.956 N/A ALA 99.A N GLN 95.A O no hydrogen 3.002 N/A ILE 100.A N LEU 96.A O no hydrogen 2.968 N/A HIS 101.A N ILE 97.A O no hydrogen 2.786 N/A HIS 101.A ND1 THR 265.A OG1 no hydrogen 2.988 N/A TRP 102.A N LYS 98.A O no hydrogen 3.060 N/A CYS 103.A N ALA 99.A O no hydrogen 3.025 N/A CYS 103.A SG ALA 99.A O no hydrogen 3.208 N/A HIS 104.A N ILE 100.A O no hydrogen 2.717 N/A HIS 104.A NE2 ASP 170.A OD2 no hydrogen 3.138 N/A LYS 105.A N HIS 101.A O no hydrogen 3.065 N/A ASN 106.A ND2 TRP 102.A O no hydrogen 2.686 N/A ASP 107.A N HIS 104.A O no hydrogen 3.011 N/A ILE 108.A N CYS 103.A O no hydrogen 2.887 N/A VAL 109.A N ARG 135.A O no hydrogen 3.228 N/A HIS 110.A N ASP 170.A OD2 no hydrogen 2.832 N/A HIS 110.A NE2 CYS 129.A O no hydrogen 2.777 N/A ARG 111.A N ASP 170.A OD1 no hydrogen 3.322 N/A ARG 111.A NH1 ALA 143.A O no hydrogen 2.751 N/A ASP 112.A N HIS 110.A ND1 no hydrogen 3.213 N/A LYS 114.A NZ ASP 146.A OD2 no hydrogen 3.114 N/A LYS 114.A NZ GLU 148.A OE2 no hydrogen 3.015 N/A LYS 114.A NZ THR 151.A OG1 no hydrogen 2.847 N/A ASN 117.A N LYS 114.A O no hydrogen 3.054 N/A ASN 117.A ND2 ASP 112.A O no hydrogen 2.877 N/A ASN 117.A ND2 ASP 112.A OD2 no hydrogen 3.044 N/A LEU 118.A N PRO 115.A O no hydrogen 3.249 N/A LEU 119.A N LYS 127.A O no hydrogen 2.916 N/A ILE 120.A N LYS 71.A O no hydrogen 3.072 N/A SER 121.A N VAL 125.A O no hydrogen 2.947 N/A ASN 123.A N SER 121.A OG no hydrogen 2.828 N/A ASP 124.A N SER 121.A O no hydrogen 2.916 N/A VAL 125.A N SER 121.A OG no hydrogen 3.158 N/A LEU 126.A N GLN 95.A OE1 no hydrogen 2.952 N/A LYS 127.A N LEU 119.A O no hydrogen 2.772 N/A LEU 128.A N ASN 53.A O no hydrogen 2.854 N/A CYS 129.A N ASN 117.A O no hydrogen 3.008 N/A CYS 129.A SG ASN 117.A O no hydrogen 3.472 N/A CYS 129.A SG ASN 117.A OD1 no hydrogen 3.889 N/A ALA 134.A N PHE 131.A O no hydrogen 3.362 N/A ARG 135.A N VAL 109.A O no hydrogen 3.377 N/A LEU 137.A N ASP 107.A O no hydrogen 2.913 N/A GLU 148.A N ASP 146.A OD1 no hydrogen 3.024 N/A THR 151.A OG1 ASP 112.A OD1 no hydrogen 2.827 N/A ARG 152.A N GLU 148.A O no hydrogen 3.212 N/A TRP 153.A NE1 GLY 190.A O no hydrogen 2.970 N/A TYR 154.A N THR 151.A O no hydrogen 3.104 N/A TYR 154.A OH GLU 180.A OE1 no hydrogen 2.585 N/A TYR 154.A OH GLU 180.A OE2 no hydrogen 3.363 N/A ARG 155.A N ARG 152.A O no hydrogen 3.003 N/A ARG 155.A NH1 ARG 111.A O no hydrogen 2.388 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 3.136 N/A LEU 160.A N SER 156.A O no hydrogen 3.064 N/A LEU 161.A N PRO 157.A O no hydrogen 3.169 N/A GLY 162.A N GLU 158.A O no hydrogen 2.926 N/A ALA 163.A N GLU 158.A O no hydrogen 2.786 N/A LYS 167.A NZ HIS 104.A O no hydrogen 2.972 N/A SER 168.A OG PRO 259.A O no hydrogen 3.531 N/A VAL 169.A N GLY 166.A O no hydrogen 3.068 N/A MET 171.A N LYS 167.A O no hydrogen 3.235 N/A TRP 172.A N SER 168.A O no hydrogen 3.146 N/A SER 173.A N VAL 169.A O no hydrogen 3.247 N/A SER 173.A OG TYR 154.A O no hydrogen 2.546 N/A SER 173.A OG VAL 169.A O no hydrogen 3.379 N/A VAL 174.A N ASP 170.A O no hydrogen 3.305 N/A GLY 175.A N MET 171.A O no hydrogen 3.181 N/A CYS 176.A N TRP 172.A O no hydrogen 3.110 N/A CYS 176.A SG TRP 153.A O no hydrogen 4.046 N/A CYS 176.A SG TRP 172.A O no hydrogen 3.250 N/A ILE 177.A N SER 173.A O no hydrogen 2.973 N/A LEU 178.A N VAL 174.A O no hydrogen 2.855 N/A GLY 179.A N GLY 175.A O no hydrogen 3.250 N/A GLU 180.A N CYS 176.A O no hydrogen 3.239 N/A LEU 181.A N ILE 177.A O no hydrogen 2.863 N/A SER 182.A N LEU 178.A O no hydrogen 3.256 N/A SER 182.A N GLY 179.A O no hydrogen 3.031 N/A SER 182.A OG GLY 179.A O no hydrogen 2.795 N/A ASP 183.A N GLY 179.A O no hydrogen 3.295 N/A GLY 184.A N GLU 180.A O no hydrogen 2.675 N/A GLN 185.A N ASP 183.A OD1 no hydrogen 3.154 N/A GLN 185.A NE2 ASP 183.A O no hydrogen 3.050 N/A SER 192.A OG ASP 195.A OD2 no hydrogen 2.875 N/A ASP 195.A N SER 192.A OG no hydrogen 3.309 N/A GLN 196.A N SER 192.A O no hydrogen 3.129 N/A GLN 196.A NE2 ARG 152.A O no hydrogen 3.074 N/A LEU 197.A N GLU 193.A O no hydrogen 3.212 N/A PHE 198.A N ILE 194.A O no hydrogen 3.305 N/A THR 199.A N ASP 195.A O no hydrogen 3.235 N/A ILE 200.A N GLN 196.A O no hydrogen 2.732 N/A GLN 201.A N LEU 197.A O no hydrogen 2.916 N/A LYS 202.A N PHE 198.A O no hydrogen 2.706 N/A LYS 202.A NZ HIS 231.A O no hydrogen 3.565 N/A LEU 204.A N ILE 200.A O no hydrogen 2.738 N/A GLY 205.A N GLN 201.A O no hydrogen 2.772 N/A GLN 211.A NE2 LEU 257.A O no hydrogen 3.069 N/A MET 212.A N PRO 208.A O no hydrogen 3.050 N/A LYS 213.A N SER 209.A O no hydrogen 2.938 N/A LEU 214.A N GLU 210.A O no hydrogen 3.133 N/A PHE 215.A N GLN 211.A O no hydrogen 3.062 N/A SER 217.A N LEU 214.A O no hydrogen 3.272 N/A SER 217.A OG LEU 214.A O no hydrogen 3.135 N/A ASN 218.A N PHE 215.A O no hydrogen 3.419 N/A HIS 222.A N PRO 219.A O no hydrogen 3.294 N/A ALA 228.A N PHE 226.A O no hydrogen 2.721 N/A GLN 233.A N LYS 202.A O no hydrogen 2.665 N/A ARG 238.A N SER 234.A O no hydrogen 2.717 N/A TYR 239.A N LEU 235.A O no hydrogen 2.784 N/A ILE 242.A N TYR 239.A O no hydrogen 2.895 N/A LEU 243.A N TYR 239.A O no hydrogen 3.273 N/A LEU 247.A N ASN 244.A OD1 no hydrogen 3.104 N/A LEU 248.A N ASN 244.A O no hydrogen 2.807 N/A ASP 249.A N SER 245.A O no hydrogen 3.053 N/A ASP 249.A N VAL 246.A O no hydrogen 3.198 N/A LEU 250.A N VAL 246.A O no hydrogen 3.453 N/A MET 251.A N LEU 247.A O no hydrogen 3.140 N/A LYS 252.A N LEU 248.A O no hydrogen 2.951 N/A LYS 252.A NZ GLU 236.A OE1 no hydrogen 3.271 N/A ASN 253.A N ASP 249.A O no hydrogen 3.247 N/A LEU 254.A N LEU 250.A O no hydrogen 2.868 N/A LEU 255.A N MET 251.A O no hydrogen 2.927 N/A ALA 260.A N ASP 258.A OD1 no hydrogen 2.937 N/A ASP 261.A N ASP 258.A O no hydrogen 3.181 N/A ARG 262.A N PRO 259.A O no hydrogen 3.199 N/A ARG 262.A NE LYS 256.A O no hydrogen 2.679 N/A ARG 262.A NH1 GLU 158.A OE2 no hydrogen 2.620 N/A ARG 262.A NH1 SER 168.A O no hydrogen 3.257 N/A ARG 262.A NH2 GLU 158.A OE1 no hydrogen 2.282 N/A ARG 262.A NH2 LYS 256.A O no hydrogen 3.371 N/A ARG 262.A NH2 LEU 257.A O no hydrogen 3.288 N/A TYR 263.A N ASN 253.A O no hydrogen 3.133 N/A LEU 264.A N GLN 267.A OE1 no hydrogen 3.347 N/A THR 265.A OG1 HIS 101.A ND1 no hydrogen 2.988 N/A CYS 268.A N LEU 264.A O no hydrogen 3.151 N/A CYS 268.A SG LEU 264.A O no hydrogen 3.340 N/A LEU 269.A N THR 265.A O no hydrogen 2.909 N/A ASN 270.A N GLU 266.A O no hydrogen 3.074 N/A HIS 271.A N CYS 268.A O no hydrogen 3.197 N/A HIS 271.A NE2 ASP 249.A OD2 no hydrogen 2.700 N/A THR 273.A N HIS 271.A ND1 no hydrogen 3.085 N/A PHE 274.A N HIS 271.A O no hydrogen 3.264 N/A GLN 275.A N PRO 272.A O no hydrogen 2.971 N/A ARG 278.A N PHE 274.A O no hydrogen 2.403 N/A ARG 278.A N GLN 275.A O no hydrogen 3.211 N/A LEU 279.A N THR 276.A O no hydrogen 3.243 N/A