Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a8w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N ASP 8.A OD2 no hydrogen 2.932 N/A GLN 7.A N GLN 7.A OE1 no hydrogen 2.810 N/A ASP 8.A N GLY 5.A O no hydrogen 2.928 N/A PHE 9.A N LEU 6.A O no hydrogen 2.880 N/A ASP 10.A N ARG 27.A O no hydrogen 2.911 N/A LEU 12.A N LEU 25.A O no hydrogen 2.762 N/A ARG 13.A N LEU 25.A O no hydrogen 3.208 N/A ARG 13.A NE THR 296.A O no hydrogen 2.833 N/A ILE 15.A N VAL 23.A O no hydrogen 2.846 N/A GLY 16.A N VAL 23.A O no hydrogen 3.226 N/A ARG 17.A NE GLU 298.A OE2 no hydrogen 2.872 N/A ARG 17.A NH2 GLU 298.A OE1 no hydrogen 2.719 N/A GLY 18.A N ALA 21.A O no hydrogen 2.874 N/A LYS 22.A N VAL 39.A O no hydrogen 2.876 N/A LYS 22.A NZ GLN 301.A O no hydrogen 2.631 N/A VAL 23.A N GLY 16.A O no hydrogen 2.790 N/A LEU 24.A N MET 37.A O no hydrogen 2.919 N/A LEU 25.A N ARG 13.A O no hydrogen 2.702 N/A VAL 26.A N TYR 35.A O no hydrogen 2.761 N/A ARG 27.A N ASP 10.A O no hydrogen 2.933 N/A ARG 27.A NH1 ASP 10.A OD2 no hydrogen 3.166 N/A LEU 28.A N ARG 33.A O no hydrogen 2.772 N/A LYS 29.A N ASP 8.A O no hydrogen 3.111 N/A LYS 29.A NZ GLN 7.A O no hydrogen 2.840 N/A THR 31.A N LEU 28.A O no hydrogen 3.222 N/A THR 31.A OG1 LEU 28.A O no hydrogen 3.308 N/A ASP 32.A N LEU 28.A O no hydrogen 2.825 N/A ASP 32.A N LYS 29.A O no hydrogen 2.962 N/A TYR 35.A N VAL 26.A O no hydrogen 2.948 N/A ALA 36.A N ILE 83.A O no hydrogen 3.029 N/A MET 37.A N LEU 24.A O no hydrogen 2.699 N/A LYS 38.A N PHE 81.A O no hydrogen 2.737 N/A VAL 39.A N LYS 22.A O no hydrogen 2.700 N/A VAL 40.A N LEU 79.A O no hydrogen 2.822 N/A LYS 42.A N SER 77.A O no hydrogen 2.702 N/A LYS 42.A NZ GLN 74.A OE1 no hydrogen 2.689 N/A LYS 42.A NZ THR 75.A O no hydrogen 2.626 N/A LEU 44.A N LYS 41.A O no hydrogen 2.937 N/A VAL 45.A N LYS 42.A O no hydrogen 2.834 N/A THR 52.A OG1 ASP 48.A O no hydrogen 2.981 N/A GLU 53.A N TRP 49.A O no hydrogen 3.069 N/A LYS 54.A N VAL 50.A O no hydrogen 3.006 N/A LYS 54.A NZ PHE 320.A O no hydrogen 2.644 N/A HIS 55.A N GLN 51.A O no hydrogen 2.839 N/A HIS 55.A ND1 GLU 153.A OE2 no hydrogen 3.135 N/A VAL 56.A N THR 52.A O no hydrogen 2.869 N/A PHE 57.A N GLU 53.A O no hydrogen 2.826 N/A GLU 58.A N LYS 54.A O no hydrogen 2.965 N/A GLN 59.A N HIS 55.A O no hydrogen 2.617 N/A ALA 60.A N VAL 56.A O no hydrogen 2.765 N/A SER 61.A OG PHE 57.A O no hydrogen 2.280 N/A PHE 65.A N HIS 63.A ND1 no hydrogen 3.064 N/A LEU 66.A N HIS 63.A O no hydrogen 3.522 N/A VAL 67.A N LEU 145.A O no hydrogen 3.353 N/A GLY 68.A N GLU 84.A OE2 no hydrogen 2.659 N/A LEU 69.A N SER 61.A OG no hydrogen 2.794 N/A HIS 70.A N VAL 82.A O no hydrogen 2.661 N/A HIS 70.A ND1 SER 71.A OG no hydrogen 2.532 N/A SER 71.A N VAL 82.A O no hydrogen 3.184 N/A SER 71.A OG HIS 70.A ND1 no hydrogen 2.532 N/A CYS 72.A N TYR 322.A O no hydrogen 2.900 N/A PHE 73.A N PHE 80.A O no hydrogen 3.244 N/A GLN 74.A NE2 PHE 317.A O no hydrogen 2.920 N/A GLN 74.A NE2 GLU 321.A OE2 no hydrogen 2.984 N/A THR 75.A N ARG 78.A O no hydrogen 2.966 N/A SER 77.A OG ASP 304.A OD1 no hydrogen 3.509 N/A SER 77.A OG ASP 304.A OD2 no hydrogen 2.769 N/A ARG 78.A N THR 75.A OG1 no hydrogen 3.176 N/A ARG 78.A NH2 ASP 304.A OD2 no hydrogen 2.983 N/A LEU 79.A N VAL 40.A O no hydrogen 2.678 N/A PHE 80.A N PHE 73.A O no hydrogen 2.983 N/A PHE 81.A N LYS 38.A O no hydrogen 2.837 N/A VAL 82.A N SER 71.A O no hydrogen 2.767 N/A ILE 83.A N ALA 36.A O no hydrogen 2.795 N/A GLU 84.A N GLY 68.A O no hydrogen 3.171 N/A TYR 85.A OH PHE 286.A O no hydrogen 2.586 N/A ASN 87.A ND2 PHE 286.A O no hydrogen 2.921 N/A GLY 88.A N LEU 137.A O no hydrogen 2.822 N/A LEU 91.A N VAL 135.A O no hydrogen 2.868 N/A PHE 93.A N ASP 90.A OD2 no hydrogen 2.954 N/A HIS 94.A N ASP 90.A O no hydrogen 3.085 N/A MET 95.A N LEU 91.A O no hydrogen 2.756 N/A GLN 96.A N MET 92.A O no hydrogen 3.049 N/A ARG 97.A N PHE 93.A O no hydrogen 3.192 N/A GLN 98.A N HIS 94.A O no hydrogen 3.010 N/A ARG 99.A N MET 95.A O no hydrogen 2.607 N/A LEU 101.A N MET 196.A O no hydrogen 2.774 N/A ALA 106.A N PRO 102.A O no hydrogen 3.089 N/A ARG 107.A N GLU 103.A O no hydrogen 2.872 N/A PHE 108.A N GLU 104.A O no hydrogen 3.181 N/A TYR 109.A N HIS 105.A O no hydrogen 3.152 N/A SER 110.A N ALA 106.A O no hydrogen 2.919 N/A SER 110.A OG ALA 106.A O no hydrogen 2.610 N/A SER 110.A OG ARG 107.A O no hydrogen 3.271 N/A ALA 111.A N ARG 107.A O no hydrogen 2.919 N/A GLU 112.A N PHE 108.A O no hydrogen 3.172 N/A ILE 113.A N TYR 109.A O no hydrogen 2.882 N/A SER 114.A N SER 110.A O no hydrogen 2.798 N/A SER 114.A OG SER 110.A O no hydrogen 2.818 N/A LEU 115.A N ALA 111.A O no hydrogen 3.073 N/A ALA 116.A N GLU 112.A O no hydrogen 3.137 N/A LEU 117.A N ILE 113.A O no hydrogen 2.774 N/A ASN 118.A N SER 114.A O no hydrogen 2.905 N/A TYR 119.A N LEU 115.A O no hydrogen 2.936 N/A TYR 119.A OH GLN 59.A O no hydrogen 3.331 N/A LEU 120.A N ALA 116.A O no hydrogen 3.046 N/A HIS 121.A N LEU 117.A O no hydrogen 2.836 N/A HIS 121.A NE2 ASP 185.A OD2 no hydrogen 2.457 N/A GLU 122.A N ASN 118.A O no hydrogen 2.794 N/A ARG 123.A N LEU 120.A O no hydrogen 3.064 N/A GLY 124.A N HIS 121.A O no hydrogen 2.929 N/A ILE 125.A N LEU 120.A O no hydrogen 3.049 N/A ILE 126.A N LYS 152.A O no hydrogen 2.771 N/A TYR 127.A N ASP 185.A OD2 no hydrogen 3.027 N/A TYR 127.A OH THR 146.A O no hydrogen 2.449 N/A ARG 128.A N ASP 185.A OD1 no hydrogen 2.908 N/A ARG 128.A NE MET 150.A O no hydrogen 2.859 N/A ARG 128.A NH1 MET 150.A O no hydrogen 3.171 N/A ARG 128.A NH2 TYR 180.A OH no hydrogen 2.815 N/A ASP 133.A N ASP 133.A OD1 no hydrogen 2.517 N/A ASN 134.A N LYS 131.A O no hydrogen 2.855 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.662 N/A ASN 134.A ND2 ASP 129.A OD2 no hydrogen 3.111 N/A VAL 135.A N LEU 132.A O no hydrogen 3.351 N/A LEU 136.A N LYS 144.A O no hydrogen 2.909 N/A LEU 137.A N GLY 89.A O no hydrogen 2.869 N/A ASP 138.A N HIS 142.A O no hydrogen 2.869 N/A SER 139.A OG GLU 140.A OE2 no hydrogen 3.079 N/A GLU 140.A N ASP 138.A OD2 no hydrogen 3.003 N/A GLY 141.A N ASP 138.A O no hydrogen 3.013 N/A GLY 141.A N ASP 138.A OD2 no hydrogen 2.915 N/A HIS 142.A N ASP 138.A OD2 no hydrogen 2.901 N/A HIS 142.A ND1 GLU 112.A OE2 no hydrogen 2.486 N/A ILE 143.A N GLU 112.A OE1 no hydrogen 2.870 N/A LYS 144.A N LEU 136.A O no hydrogen 2.984 N/A LYS 144.A NZ PRO 64.A O no hydrogen 2.738 N/A LYS 144.A NZ LEU 66.A O no hydrogen 3.077 N/A LYS 144.A NZ GLU 84.A OE2 no hydrogen 3.199 N/A LEU 145.A N PHE 65.A O no hydrogen 2.869 N/A THR 146.A N ASN 134.A O no hydrogen 3.069 N/A TYR 148.A OH VAL 67.A O no hydrogen 2.949 N/A TYR 148.A OH LEU 145.A O no hydrogen 3.426 N/A GLY 149.A N ASP 147.A OD1 no hydrogen 3.240 N/A CYS 151.A N TYR 148.A O no hydrogen 3.052 N/A CYS 151.A SG TYR 127.A O no hydrogen 3.679 N/A CYS 151.A SG TYR 148.A O no hydrogen 3.465 N/A LYS 152.A N ILE 126.A O no hydrogen 2.868 N/A LEU 155.A N GLY 124.A O no hydrogen 3.104 N/A THR 161.A N TYR 180.A O no hydrogen 2.897 N/A THR 166.A OG1 ASP 129.A OD1 no hydrogen 2.951 N/A TYR 169.A N THR 166.A O no hydrogen 2.690 N/A TYR 169.A OH GLU 195.A OE1 no hydrogen 2.292 N/A ILE 170.A N PRO 167.A O no hydrogen 3.143 N/A GLU 173.A N GLU 173.A OE2 no hydrogen 2.506 N/A LEU 175.A N ALA 171.A O no hydrogen 3.108 N/A ARG 176.A N PRO 172.A O no hydrogen 2.750 N/A ARG 176.A N GLU 173.A O no hydrogen 3.064 N/A ARG 176.A NH1 GLU 178.A OE2 no hydrogen 3.417 N/A ARG 176.A NH1 LYS 238.A O no hydrogen 3.040 N/A ARG 176.A NH2 LYS 238.A O no hydrogen 2.909 N/A GLY 177.A N ILE 174.A O no hydrogen 2.751 N/A GLU 178.A N GLU 173.A O no hydrogen 2.913 N/A TYR 180.A N THR 161.A O no hydrogen 2.955 N/A SER 183.A OG GLU 173.A OE1 no hydrogen 2.651 N/A VAL 184.A N GLY 181.A O no hydrogen 3.539 N/A ASP 185.A N PHE 182.A O no hydrogen 2.895 N/A TRP 187.A N SER 183.A O no hydrogen 3.171 N/A ALA 188.A N VAL 184.A O no hydrogen 3.191 N/A LEU 189.A N ASP 185.A O no hydrogen 2.997 N/A GLY 190.A N TRP 186.A O no hydrogen 2.999 N/A VAL 191.A N TRP 187.A O no hydrogen 3.097 N/A LEU 192.A N ALA 188.A O no hydrogen 2.986 N/A MET 193.A N LEU 189.A O no hydrogen 2.872 N/A PHE 194.A N GLY 190.A O no hydrogen 2.930 N/A GLU 195.A N VAL 191.A O no hydrogen 2.943 N/A MET 196.A N LEU 192.A O no hydrogen 2.879 N/A MET 197.A N MET 193.A O no hydrogen 2.942 N/A ALA 198.A N PHE 194.A O no hydrogen 2.759 N/A GLY 199.A N GLU 195.A O no hydrogen 2.776 N/A SER 201.A OG ASN 168.A OD1 no hydrogen 2.437 N/A PHE 203.A N SER 201.A OG no hydrogen 3.025 N/A ASP 204.A N SER 201.A O no hydrogen 3.215 N/A LEU 209.A N THR 205.A O no hydrogen 3.042 N/A PHE 210.A N GLU 206.A O no hydrogen 3.084 N/A GLN 211.A N ASP 207.A O no hydrogen 3.187 N/A VAL 212.A N TYR 208.A O no hydrogen 2.632 N/A ILE 213.A N LEU 209.A O no hydrogen 2.901 N/A LEU 214.A N PHE 210.A O no hydrogen 3.146 N/A GLU 215.A N GLN 211.A O no hydrogen 3.006 N/A GLU 215.A N VAL 212.A O no hydrogen 3.351 N/A LYS 216.A N VAL 212.A O no hydrogen 3.145 N/A LEU 224.A N PRO 221.A O no hydrogen 3.145 N/A SER 225.A OG GLU 103.A OE2 no hydrogen 2.245 N/A LYS 227.A NZ PRO 259.A O no hydrogen 3.265 N/A ALA 228.A N SER 225.A OG no hydrogen 2.827 N/A ALA 229.A N SER 225.A O no hydrogen 2.950 N/A SER 230.A N VAL 226.A O no hydrogen 2.808 N/A SER 230.A OG HIS 258.A NE2 no hydrogen 3.208 N/A VAL 231.A N LYS 227.A O no hydrogen 3.020 N/A LEU 232.A N ALA 228.A O no hydrogen 3.065 N/A LYS 233.A N ALA 229.A O no hydrogen 2.933 N/A SER 234.A N SER 230.A O no hydrogen 2.921 N/A PHE 235.A N VAL 231.A O no hydrogen 3.024 N/A LEU 236.A N LEU 232.A O no hydrogen 2.935 N/A ASN 237.A ND2 GLU 242.A OE1 no hydrogen 2.900 N/A LYS 238.A NZ ILE 213.A O no hydrogen 2.904 N/A LYS 238.A NZ LYS 216.A O no hydrogen 2.682 N/A ASP 239.A N ASN 237.A OD1 no hydrogen 2.842 N/A LYS 241.A N ASP 239.A OD2 no hydrogen 3.305 N/A LYS 241.A NZ ASP 239.A OD2 no hydrogen 2.794 N/A GLU 242.A N ASP 239.A O no hydrogen 3.026 N/A ARG 243.A N PRO 240.A O no hydrogen 2.981 N/A ARG 243.A NE ASN 237.A O no hydrogen 2.963 N/A ARG 243.A NH1 GLU 173.A OE1 no hydrogen 2.674 N/A ARG 243.A NH1 SER 183.A O no hydrogen 2.937 N/A ARG 243.A NH2 GLU 173.A OE2 no hydrogen 3.217 N/A ARG 243.A NH2 ASN 237.A O no hydrogen 2.861 N/A LEU 244.A N SER 234.A O no hydrogen 2.998 N/A CYS 246.A N ARG 243.A O no hydrogen 3.021 N/A CYS 246.A SG LEU 244.A O no hydrogen 3.599 N/A GLN 249.A N HIS 247.A ND1 no hydrogen 3.434 N/A THR 250.A N HIS 247.A O no hydrogen 3.156 N/A THR 250.A OG1 HIS 247.A ND1 no hydrogen 2.746 N/A THR 250.A OG1 ASP 254.A OD1 no hydrogen 3.363 N/A GLY 251.A N HIS 247.A O no hydrogen 2.712 N/A ASP 254.A N THR 250.A O no hydrogen 2.910 N/A ILE 255.A N GLY 251.A O no hydrogen 3.377 N/A GLN 256.A N PHE 252.A O no hydrogen 3.085 N/A GLY 257.A N ALA 253.A O no hydrogen 2.880 N/A HIS 258.A N ILE 255.A O no hydrogen 2.963 N/A PHE 260.A N HIS 258.A ND1 no hydrogen 3.002 N/A PHE 261.A N HIS 258.A O no hydrogen 2.724 N/A ARG 262.A N PRO 259.A O no hydrogen 3.071 N/A VAL 264.A N PHE 261.A O no hydrogen 2.759 N/A MET 268.A N ASP 265.A OD2 no hydrogen 3.303 N/A MET 269.A N ASP 265.A O no hydrogen 2.929 N/A GLU 270.A N TRP 266.A O no hydrogen 2.803 N/A GLN 271.A N ASP 267.A O no hydrogen 3.183 N/A GLN 271.A N MET 268.A O no hydrogen 3.283 N/A GLN 271.A NE2 GLN 271.A O no hydrogen 3.341 N/A LYS 272.A N MET 269.A O no hydrogen 2.777 N/A GLN 273.A N MET 268.A O no hydrogen 2.733 N/A LYS 279.A NZ SER 139.A O no hydrogen 2.847 N/A LYS 279.A NZ PRO 280.A O no hydrogen 2.824 N/A SER 283.A OG ASN 281.A OD1 no hydrogen 2.487 N/A GLY 287.A N GLY 284.A O no hydrogen 3.120 N/A LEU 288.A N GLU 285.A O no hydrogen 2.556 N/A ASN 290.A N GLY 287.A O no hydrogen 3.065 N/A ASN 290.A ND2 ASN 87.A O no hydrogen 2.880 N/A ASN 290.A ND2 ASN 281.A O no hydrogen 2.963 N/A PHE 291.A N LEU 288.A O no hydrogen 2.880 N/A PHE 295.A N ASP 292.A O no hydrogen 3.186 N/A THR 296.A N ASP 292.A O no hydrogen 3.092 N/A THR 296.A OG1 ASP 292.A O no hydrogen 3.507 N/A ASN 297.A N SER 293.A O no hydrogen 2.758 N/A GLU 298.A N PHE 295.A O no hydrogen 2.832 N/A ASP 307.A N ASP 305.A OD1 no hydrogen 3.233 N/A ILE 308.A N ASP 305.A O no hydrogen 2.844 N/A VAL 309.A N ASP 305.A O no hydrogen 2.917 N/A ARG 310.A N ASP 306.A O no hydrogen 2.933 N/A LYS 311.A N ILE 308.A O no hydrogen 2.984 N/A ASP 313.A N ASN 46.A OD1 no hydrogen 3.164 N/A SER 315.A OG ASP 313.A OD1 no hydrogen 3.115 N/A GLU 316.A N ASP 313.A O no hydrogen 3.098 N/A PHE 317.A N GLN 314.A O no hydrogen 3.073 N/A GLU 318.A N SER 315.A O no hydrogen 3.354 N/A PHE 320.A N PHE 317.A O no hydrogen 3.225 N/A GLU 321.A N GLU 321.A OE1 no hydrogen 2.861 N/A TYR 322.A N CYS 72.A O no hydrogen 2.994 N/A TYR 322.A OH GLU 58.A OE1 no hydrogen 3.347 N/A ASN 324.A N HIS 70.A O no hydrogen 2.952 N/A ASN 324.A ND2 HIS 70.A O no hydrogen 2.976 N/A LEU 326.A N ASN 324.A OD1 no hydrogen 3.046 N/A