Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6aak_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N VAL 75.A O no hydrogen 3.062 N/A HIS 7.A N GLU 4.A O no hydrogen 3.275 N/A LEU 8.A N GLU 5.A O no hydrogen 2.961 N/A LYS 9.A N ARG 26.A O no hydrogen 3.023 N/A TYR 10.A OH GLN 13.A OE1 no hydrogen 3.108 N/A ILE 11.A N LEU 24.A O no hydrogen 2.997 N/A SER 12.A N LEU 24.A O no hydrogen 3.378 N/A LEU 14.A N VAL 22.A O no hydrogen 3.084 N/A GLY 15.A N VAL 22.A O no hydrogen 3.406 N/A GLY 17.A N GLY 20.A O no hydrogen 2.545 N/A SER 21.A N GLN 42.A O no hydrogen 3.079 N/A SER 21.A OG GLN 44.A OE1 no hydrogen 3.227 N/A VAL 22.A N GLY 15.A O no hydrogen 3.197 N/A GLU 23.A N VAL 40.A O no hydrogen 2.710 N/A LEU 24.A N SER 12.A O no hydrogen 2.763 N/A CYS 25.A N VAL 38.A O no hydrogen 2.929 N/A ARG 26.A N LYS 9.A O no hydrogen 3.216 N/A ARG 26.A NH1 GLY 35.A O no hydrogen 3.304 N/A TYR 27.A N ALA 36.A O no hydrogen 3.012 N/A ASP 28.A N HIS 7.A O no hydrogen 2.820 N/A GLY 31.A N ASP 28.A O no hydrogen 3.035 N/A ASN 33.A N ASP 28.A OD2 no hydrogen 3.165 N/A THR 34.A N ASP 32.A OD1 no hydrogen 3.115 N/A THR 34.A OG1 ASP 32.A OD1 no hydrogen 2.687 N/A GLY 35.A N ASP 28.A OD1 no hydrogen 3.202 N/A VAL 38.A N CYS 25.A O no hydrogen 2.681 N/A ALA 39.A N MET 84.A O no hydrogen 2.863 N/A VAL 40.A N GLU 23.A O no hydrogen 2.765 N/A LYS 41.A N LEU 82.A O no hydrogen 2.826 N/A LYS 41.A NZ GLU 57.A OE1 no hydrogen 2.670 N/A LYS 41.A NZ GLU 57.A OE2 no hydrogen 2.889 N/A GLN 42.A N SER 21.A O no hydrogen 3.111 N/A GLN 44.A N PHE 19.A O no hydrogen 3.034 N/A GLN 44.A NE2 SER 21.A OG no hydrogen 3.210 N/A GLY 47.A N GLN 50.A OE1 no hydrogen 3.481 N/A GLN 51.A N GLY 47.A O no hydrogen 3.357 N/A GLN 51.A NE2 SER 46.A OG no hydrogen 2.952 N/A ARG 52.A N PRO 48.A O no hydrogen 2.967 N/A ASP 53.A N ASP 49.A O no hydrogen 3.040 N/A PHE 54.A N GLN 50.A O no hydrogen 2.919 N/A GLN 55.A N GLN 51.A O no hydrogen 3.190 N/A GLN 55.A N ARG 52.A O no hydrogen 2.947 N/A ARG 56.A N ARG 52.A O no hydrogen 3.180 N/A GLU 57.A N ASP 53.A O no hydrogen 2.817 N/A ILE 58.A N PHE 54.A O no hydrogen 2.914 N/A GLN 59.A N GLN 55.A O no hydrogen 3.021 N/A ILE 60.A N ARG 56.A O no hydrogen 2.861 N/A LEU 61.A N GLU 57.A O no hydrogen 3.310 N/A LYS 62.A N ILE 58.A O no hydrogen 3.014 N/A LYS 62.A NZ TYR 72.A OH no hydrogen 3.204 N/A ALA 63.A N ILE 60.A O no hydrogen 2.794 N/A LEU 64.A N LEU 61.A O no hydrogen 3.347 N/A HIS 65.A N TYR 121.A OH no hydrogen 2.896 N/A PHE 68.A N SER 66.A OG no hydrogen 3.099 N/A ILE 69.A N SER 66.A O no hydrogen 3.261 N/A VAL 70.A N ILE 147.A O no hydrogen 3.002 N/A LYS 71.A N GLU 85.A OE2 no hydrogen 2.945 N/A ARG 73.A N VAL 83.A O no hydrogen 2.817 N/A GLY 74.A N VAL 83.A O no hydrogen 3.108 N/A SER 76.A N ARG 81.A O no hydrogen 3.253 N/A SER 76.A OG PHE 3.A O no hydrogen 3.189 N/A SER 79.A N TYR 77.A O no hydrogen 3.219 N/A ARG 81.A N SER 76.A O no hydrogen 3.142 N/A ARG 81.A NH1 GLU 5.A OE1 no hydrogen 3.015 N/A LEU 82.A N LYS 41.A O no hydrogen 2.875 N/A VAL 83.A N GLY 74.A O no hydrogen 3.029 N/A MET 84.A N ALA 39.A O no hydrogen 2.790 N/A GLU 85.A N LYS 71.A O no hydrogen 3.176 N/A GLY 90.A N LEU 87.A O no hydrogen 3.411 N/A LEU 92.A N ILE 137.A O no hydrogen 2.913 N/A ARG 93.A NE ASP 94.A OD1 no hydrogen 3.288 N/A ARG 93.A NH2 ASP 94.A OD1 no hydrogen 3.490 N/A PHE 95.A N CYS 91.A O no hydrogen 3.225 N/A LEU 96.A N LEU 92.A O no hydrogen 2.823 N/A GLN 97.A N ARG 93.A O no hydrogen 3.333 N/A GLN 97.A NE2 ARG 93.A O no hydrogen 3.434 N/A ARG 98.A N ASP 94.A O no hydrogen 3.043 N/A HIS 99.A N PHE 95.A O no hydrogen 2.871 N/A ARG 102.A N HIS 99.A O no hydrogen 2.759 N/A ARG 102.A NE GLU 142.A OE2 no hydrogen 3.355 N/A LEU 103.A N ARG 100.A O no hydrogen 3.260 N/A ARG 107.A N ASP 104.A OD1 no hydrogen 3.206 N/A LEU 108.A N ASP 104.A O no hydrogen 3.249 N/A LEU 109.A N ALA 105.A O no hydrogen 3.113 N/A LEU 110.A N SER 106.A O no hydrogen 3.152 N/A TYR 111.A N ARG 107.A O no hydrogen 3.138 N/A TYR 111.A OH GLU 142.A O no hydrogen 2.570 N/A SER 112.A N LEU 108.A O no hydrogen 2.895 N/A SER 112.A OG LEU 108.A O no hydrogen 2.679 N/A SER 113.A N LEU 109.A O no hydrogen 2.665 N/A SER 113.A OG ASP 273.A OD1 no hydrogen 2.838 N/A GLN 114.A N LEU 110.A O no hydrogen 3.045 N/A GLN 114.A NE2 ALA 143.A O no hydrogen 3.114 N/A ILE 115.A N TYR 111.A O no hydrogen 2.947 N/A CYS 116.A N SER 112.A O no hydrogen 3.021 N/A CYS 116.A SG PHE 265.A O no hydrogen 3.302 N/A LYS 117.A N SER 113.A O no hydrogen 3.165 N/A LYS 117.A NZ ASP 273.A OD2 no hydrogen 2.831 N/A GLY 118.A N GLN 114.A O no hydrogen 3.180 N/A MET 119.A N ILE 115.A O no hydrogen 2.848 N/A GLU 120.A N CYS 116.A O no hydrogen 2.711 N/A TYR 121.A N LYS 117.A O no hydrogen 3.063 N/A LEU 122.A N GLY 118.A O no hydrogen 2.930 N/A GLY 123.A N MET 119.A O no hydrogen 2.970 N/A SER 124.A N GLU 120.A O no hydrogen 3.012 N/A SER 124.A OG TYR 121.A O no hydrogen 2.467 N/A ARG 125.A N TYR 121.A O no hydrogen 2.985 N/A ARG 125.A NH1 ALA 63.A O no hydrogen 2.695 N/A ARG 125.A NH1 TYR 121.A OH no hydrogen 3.266 N/A ARG 126.A N GLY 123.A O no hydrogen 2.962 N/A ARG 126.A NH2 LYS 160.A O no hydrogen 3.469 N/A CYS 127.A N LEU 122.A O no hydrogen 2.999 N/A CYS 127.A SG LYS 154.A O no hydrogen 4.011 N/A VAL 128.A N LYS 154.A O no hydrogen 2.736 N/A HIS 129.A N ASP 189.A OD2 no hydrogen 2.903 N/A HIS 129.A NE2 ALA 148.A O no hydrogen 2.826 N/A ARG 130.A N ASP 189.A OD1 no hydrogen 3.265 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.322 N/A ALA 134.A N GLU 199.A OE1 no hydrogen 2.783 N/A ASN 136.A N ALA 133.A O no hydrogen 2.935 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.689 N/A ILE 137.A N ALA 134.A O no hydrogen 3.192 N/A LEU 138.A N LYS 146.A O no hydrogen 2.715 N/A VAL 139.A N GLY 90.A O no hydrogen 2.952 N/A GLU 140.A N HIS 144.A O no hydrogen 2.770 N/A SER 141.A N HIS 144.A O no hydrogen 3.083 N/A HIS 144.A N SER 141.A O no hydrogen 3.056 N/A VAL 145.A N GLN 114.A OE1 no hydrogen 2.797 N/A LYS 146.A N LEU 138.A O no hydrogen 2.854 N/A LYS 146.A NZ GLU 85.A OE1 no hydrogen 3.263 N/A LYS 146.A NZ GLU 85.A OE2 no hydrogen 2.726 N/A ILE 147.A N PHE 68.A O no hydrogen 2.738 N/A ALA 148.A N ASN 136.A O no hydrogen 2.911 N/A GLY 151.A N ASP 149.A OD1 no hydrogen 3.217 N/A ALA 153.A N PHE 150.A O no hydrogen 3.416 N/A LYS 154.A N VAL 128.A O no hydrogen 2.890 N/A LEU 156.A N ARG 126.A O no hydrogen 2.989 N/A LYS 160.A N PRO 157.A O no hydrogen 3.502 N/A VAL 163.A N ASN 182.A O no hydrogen 3.072 N/A SER 169.A OG TYR 174.A OH no hydrogen 2.985 N/A TRP 173.A NE1 GLU 199.A OE1 no hydrogen 3.258 N/A TYR 174.A N ILE 171.A O no hydrogen 3.194 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.630 N/A SER 178.A OG ILE 183.A O no hydrogen 3.089 N/A SER 178.A OG SER 188.A OG no hydrogen 2.993 N/A LEU 179.A N ALA 175.A O no hydrogen 2.797 N/A SER 180.A N PRO 176.A O no hydrogen 2.933 N/A SER 180.A OG PRO 176.A O no hydrogen 2.707 N/A SER 180.A OG GLU 177.A O no hydrogen 3.312 N/A SER 180.A OG ASP 181.A OD2 no hydrogen 2.676 N/A ASP 181.A N GLU 177.A O no hydrogen 2.884 N/A ASN 182.A N SER 178.A O no hydrogen 2.862 N/A ASN 182.A ND2 SER 178.A O no hydrogen 3.324 N/A ILE 183.A N GLU 177.A O no hydrogen 3.247 N/A ARG 186.A NE GLY 123.A O no hydrogen 3.171 N/A ARG 186.A NH1 ASP 161.A OD1 no hydrogen 3.477 N/A SER 188.A N SER 185.A OG no hydrogen 2.920 N/A SER 188.A OG SER 178.A OG no hydrogen 2.993 N/A ASP 189.A N SER 185.A O no hydrogen 3.068 N/A VAL 190.A N ARG 186.A O no hydrogen 3.099 N/A TRP 191.A N GLN 187.A O no hydrogen 3.184 N/A SER 192.A N SER 188.A O no hydrogen 3.251 N/A SER 192.A OG TRP 173.A O no hydrogen 2.946 N/A SER 192.A OG SER 188.A O no hydrogen 3.306 N/A PHE 193.A N ASP 189.A O no hydrogen 3.048 N/A GLY 194.A N VAL 190.A O no hydrogen 3.092 N/A VAL 195.A N TRP 191.A O no hydrogen 3.239 N/A VAL 196.A N SER 192.A O no hydrogen 2.751 N/A LEU 197.A N PHE 193.A O no hydrogen 2.778 N/A TYR 198.A N GLY 194.A O no hydrogen 3.202 N/A TYR 198.A OH CYS 208.A O no hydrogen 3.012 N/A GLU 199.A N VAL 195.A O no hydrogen 2.937 N/A LEU 200.A N VAL 196.A O no hydrogen 2.890 N/A PHE 201.A N LEU 197.A O no hydrogen 2.870 N/A THR 202.A N TYR 198.A O no hydrogen 2.964 N/A THR 202.A OG1 TYR 198.A O no hydrogen 2.673 N/A THR 202.A OG1 GLU 199.A O no hydrogen 2.839 N/A TYR 203.A N LEU 200.A O no hydrogen 2.607 N/A TYR 203.A OH LEU 103.A O no hydrogen 2.532 N/A CYS 204.A N GLU 199.A O no hydrogen 2.847 N/A CYS 204.A SG GLU 199.A O no hydrogen 3.744 N/A CYS 204.A SG GLU 199.A OE2 no hydrogen 3.844 N/A ASP 205.A N THR 202.A O no hydrogen 2.941 N/A SER 207.A OG ASP 205.A OD1 no hydrogen 3.053 N/A SER 209.A N LYS 206.A O no hydrogen 3.007 N/A SER 209.A OG LYS 206.A O no hydrogen 2.892 N/A SER 209.A OG SER 211.A OG no hydrogen 3.024 N/A SER 211.A OG SER 209.A OG no hydrogen 3.024 N/A ALA 212.A N SER 209.A OG no hydrogen 3.176 N/A GLU 213.A N SER 209.A O no hydrogen 2.854 N/A PHE 214.A N PRO 210.A O no hydrogen 2.807 N/A LEU 215.A N SER 211.A O no hydrogen 2.888 N/A ARG 216.A N ALA 212.A O no hydrogen 3.024 N/A ARG 216.A NE GLU 213.A OE2 no hydrogen 3.408 N/A MET 217.A N GLU 213.A O no hydrogen 3.057 N/A MET 218.A N LEU 215.A O no hydrogen 3.131 N/A ARG 226.A N PRO 222.A O no hydrogen 3.410 N/A ARG 226.A NH1 ARG 226.A O no hydrogen 3.426 N/A LEU 228.A N LEU 224.A O no hydrogen 3.269 N/A LEU 230.A N ARG 226.A O no hydrogen 2.982 N/A LEU 231.A N LEU 227.A O no hydrogen 2.655 N/A GLU 232.A N LEU 228.A O no hydrogen 2.929 N/A GLY 234.A N LEU 231.A O no hydrogen 3.234 N/A ARG 236.A NE TRP 255.A O no hydrogen 3.159 N/A ARG 236.A NH1 LEU 231.A O no hydrogen 2.947 N/A ARG 236.A NH1 GLN 235.A O no hydrogen 2.896 N/A ARG 236.A NH2 TRP 255.A O no hydrogen 3.320 N/A CYS 243.A SG PRO 244.A O no hydrogen 3.259 N/A GLU 246.A N GLU 246.A OE1 no hydrogen 2.807 N/A HIS 248.A N PRO 244.A O no hydrogen 3.382 N/A GLU 249.A N ALA 245.A O no hydrogen 3.152 N/A LEU 250.A N GLU 246.A O no hydrogen 3.148 N/A MET 251.A N VAL 247.A O no hydrogen 3.026 N/A LYS 252.A N HIS 248.A O no hydrogen 3.066 N/A LYS 252.A NZ GLU 249.A OE1 no hydrogen 3.525 N/A LYS 252.A NZ GLU 249.A OE2 no hydrogen 3.093 N/A LEU 253.A N GLU 249.A O no hydrogen 3.091 N/A CYS 254.A N LEU 250.A O no hydrogen 2.876 N/A CYS 254.A SG VAL 190.A O no hydrogen 3.887 N/A CYS 254.A SG LEU 250.A O no hydrogen 3.286 N/A TRP 255.A N MET 251.A O no hydrogen 2.981 N/A TRP 255.A N LYS 252.A O no hydrogen 3.176 N/A ALA 256.A N LEU 253.A O no hydrogen 3.118 N/A ASP 261.A N SER 258.A O no hydrogen 3.142 N/A ARG 262.A N PRO 259.A O no hydrogen 3.092 N/A ARG 262.A NE ALA 256.A O no hydrogen 2.947 N/A ARG 262.A NH1 GLU 177.A OE2 no hydrogen 3.049 N/A ARG 262.A NH1 GLN 187.A O no hydrogen 3.202 N/A ARG 262.A NH2 GLU 177.A OE1 no hydrogen 3.047 N/A ARG 262.A NH2 ALA 256.A O no hydrogen 3.280 N/A ARG 262.A NH2 PRO 257.A O no hydrogen 3.151 N/A SER 266.A OG GLU 120.A OE2 no hydrogen 2.741 N/A ALA 267.A N SER 264.A OG no hydrogen 2.987 N/A LEU 268.A N SER 264.A O no hydrogen 2.971 N/A GLY 269.A N PHE 265.A O no hydrogen 3.209 N/A GLN 271.A NE2 ALA 267.A O no hydrogen 2.738 N/A LEU 272.A N LEU 268.A O no hydrogen 2.827 N/A LEU 272.A N GLY 269.A O no hydrogen 2.922 N/A ASP 273.A N GLY 269.A O no hydrogen 2.860 N/A MET 274.A N PRO 270.A O no hydrogen 2.853 N/A LEU 275.A N LEU 272.A O no hydrogen 3.304 N/A