Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p6a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A N LYS 2.A O no hydrogen 3.058 N/A ARG 7.A N SER 3.A O no hydrogen 2.986 N/A ARG 7.A NH1 THR 167.A OG1 no hydrogen 2.753 N/A ARG 7.A NH2 ILE 77.A O no hydrogen 3.068 N/A GLN 8.A N GLN 4.A O no hydrogen 3.062 N/A GLN 8.A NE2 ILE 77.A O no hydrogen 3.651 N/A GLU 9.A N VAL 5.A O no hydrogen 2.778 N/A VAL 10.A N LYS 6.A O no hydrogen 3.134 N/A ILE 11.A N ARG 7.A O no hydrogen 2.988 N/A SER 12.A N GLN 8.A O no hydrogen 2.941 N/A SER 12.A OG GLN 8.A O no hydrogen 3.182 N/A GLU 13.A N GLU 9.A O no hydrogen 2.954 N/A LEU 14.A N VAL 10.A O no hydrogen 2.926 N/A LEU 15.A N ILE 11.A O no hydrogen 3.189 N/A VAL 16.A N SER 12.A O no hydrogen 2.738 N/A THR 17.A N GLU 13.A O no hydrogen 2.889 N/A THR 17.A OG1 GLU 13.A O no hydrogen 2.540 N/A THR 17.A OG1 LEU 14.A O no hydrogen 3.361 N/A GLU 18.A N LEU 14.A O no hydrogen 2.897 N/A GLU 18.A N LEU 15.A O no hydrogen 3.120 N/A ALA 19.A N LEU 15.A O no hydrogen 3.048 N/A ALA 20.A N VAL 16.A O no hydrogen 3.127 N/A HIS 21.A N THR 17.A O no hydrogen 3.037 N/A HIS 21.A NE2 GLU 149.A OE2 no hydrogen 2.636 N/A VAL 22.A N GLU 18.A O no hydrogen 2.878 N/A ARG 23.A N ALA 19.A O no hydrogen 2.920 N/A MET 24.A N ALA 20.A O no hydrogen 3.124 N/A LEU 25.A N HIS 21.A O no hydrogen 3.077 N/A ARG 26.A N VAL 22.A O no hydrogen 2.978 N/A VAL 27.A N ARG 23.A O no hydrogen 2.910 N/A LEU 28.A N MET 24.A O no hydrogen 2.709 N/A HIS 29.A N LEU 25.A O no hydrogen 2.992 N/A ASP 30.A N ARG 26.A O no hydrogen 2.888 N/A LEU 31.A N VAL 27.A O no hydrogen 2.813 N/A PHE 33.A N LEU 28.A O no hydrogen 3.017 N/A GLN 34.A N HIS 29.A O no hydrogen 2.650 N/A MET 36.A N PHE 32.A O no hydrogen 2.852 N/A ALA 37.A N PHE 33.A O no hydrogen 3.019 N/A GLU 38.A N GLN 34.A O no hydrogen 2.995 N/A CYS 39.A N PRO 35.A O no hydrogen 2.815 N/A CYS 39.A SG PRO 35.A O no hydrogen 3.364 N/A LEU 40.A N ALA 37.A O no hydrogen 3.177 N/A GLU 45.A N GLU 45.A OE1 no hydrogen 2.743 N/A LEU 47.A N PRO 43.A O no hydrogen 3.028 N/A GLN 48.A N LEU 44.A O no hydrogen 2.879 N/A ASN 49.A N GLU 46.A O no hydrogen 3.139 N/A ILE 50.A N GLU 46.A O no hydrogen 3.024 N/A ILE 50.A N LEU 47.A O no hydrogen 3.227 N/A PHE 51.A N LEU 47.A O no hydrogen 3.089 N/A SER 53.A OG PRO 52.A O no hydrogen 2.790 N/A LEU 54.A N PHE 51.A O no hydrogen 3.364 N/A LEU 57.A N SER 53.A O no hydrogen 2.764 N/A ILE 58.A N LEU 54.A O no hydrogen 2.872 N/A GLU 59.A N ASP 55.A O no hydrogen 3.109 N/A VAL 60.A N GLU 56.A O no hydrogen 3.075 N/A HIS 61.A N LEU 57.A O no hydrogen 3.297 N/A HIS 61.A ND1 GLU 18.A OE2 no hydrogen 2.650 N/A HIS 61.A NE2 GLU 149.A OE1 no hydrogen 2.651 N/A SER 62.A N ILE 58.A O no hydrogen 2.780 N/A SER 62.A OG ILE 58.A O no hydrogen 2.744 N/A LEU 63.A N GLU 59.A O no hydrogen 2.908 N/A PHE 64.A N VAL 60.A O no hydrogen 3.371 N/A LEU 65.A N HIS 61.A O no hydrogen 2.960 N/A ASP 66.A N SER 62.A O no hydrogen 2.797 N/A ARG 67.A N LEU 63.A O no hydrogen 2.911 N/A LEU 68.A N PHE 64.A O no hydrogen 2.932 N/A MET 69.A N LEU 65.A O no hydrogen 2.860 N/A LYS 70.A N ASP 66.A O no hydrogen 2.898 N/A ARG 71.A N ARG 67.A O no hydrogen 2.951 N/A ARG 71.A NE GLU 74.A OE1 no hydrogen 3.373 N/A ARG 71.A NH1 GLU 79.A O no hydrogen 2.882 N/A ARG 71.A NH1 ASP 82.A OD1 no hydrogen 2.566 N/A ARG 71.A NH1 ASP 82.A OD2 no hydrogen 3.371 N/A ARG 71.A NH2 ASP 82.A OD1 no hydrogen 3.328 N/A ARG 71.A NH2 ASP 82.A OD2 no hydrogen 2.641 N/A ARG 72.A N LEU 68.A O no hydrogen 2.964 N/A GLN 73.A N MET 69.A O no hydrogen 2.958 N/A GLU 74.A N LYS 70.A O no hydrogen 3.291 N/A SER 75.A OG ARG 71.A O no hydrogen 3.228 N/A ILE 80.A N GLU 172.A OE2 no hydrogen 2.680 N/A GLY 81.A N GLU 172.A OE2 no hydrogen 2.878 N/A VAL 83.A N ILE 80.A O no hydrogen 2.892 N/A LEU 84.A N ILE 80.A O no hydrogen 2.937 N/A LEU 85.A N GLY 81.A O no hydrogen 2.677 N/A ALA 86.A N VAL 83.A O no hydrogen 3.125 N/A ARG 87.A N LEU 84.A O no hydrogen 3.171 N/A ARG 87.A NE ARG 87.A O no hydrogen 2.609 N/A ARG 87.A NH1 VAL 60.A O no hydrogen 3.085 N/A ARG 87.A NH2 ARG 87.A O no hydrogen 3.462 N/A ARG 87.A NH2 GLU 92.A O no hydrogen 2.787 N/A PHE 88.A N LEU 84.A O no hydrogen 3.030 N/A ASP 89.A N LEU 85.A O no hydrogen 2.912 N/A GLY 93.A N ASP 89.A O no hydrogen 2.980 N/A SER 94.A N GLY 90.A O no hydrogen 2.961 N/A SER 94.A OG GLY 90.A O no hydrogen 3.321 N/A TRP 95.A N ALA 91.A O no hydrogen 2.924 N/A TRP 95.A NE1 GLU 56.A OE2 no hydrogen 3.072 N/A PHE 96.A N GLU 92.A O no hydrogen 2.841 N/A GLN 97.A N GLY 93.A O no hydrogen 2.953 N/A LYS 98.A N SER 94.A O no hydrogen 2.873 N/A ILE 99.A N TRP 95.A O no hydrogen 2.990 N/A ILE 99.A N PHE 96.A O no hydrogen 3.247 N/A SER 100.A N PHE 96.A O no hydrogen 3.004 N/A SER 100.A OG GLU 149.A OE1 no hydrogen 2.850 N/A SER 101.A N GLN 97.A O no hydrogen 2.896 N/A ARG 102.A N LYS 98.A O no hydrogen 3.104 N/A PHE 103.A N ILE 99.A O no hydrogen 3.156 N/A CYS 104.A N SER 100.A O no hydrogen 2.819 N/A CYS 104.A SG SER 100.A O no hydrogen 3.282 N/A SER 105.A N SER 101.A O no hydrogen 3.025 N/A SER 105.A OG SER 101.A O no hydrogen 2.745 N/A ARG 106.A N PHE 103.A O no hydrogen 3.149 N/A GLN 107.A N CYS 104.A O no hydrogen 2.952 N/A SER 108.A OG GLU 198.A OE1 no hydrogen 3.013 N/A ALA 110.A N ARG 106.A O no hydrogen 2.808 N/A LEU 111.A N GLN 107.A O no hydrogen 2.995 N/A GLU 112.A N SER 108.A O no hydrogen 3.181 N/A GLN 113.A N PHE 109.A O no hydrogen 2.831 N/A LEU 114.A N ALA 110.A O no hydrogen 2.967 N/A LYS 115.A N LEU 111.A O no hydrogen 2.978 N/A ALA 116.A N GLU 112.A O no hydrogen 2.775 N/A LYS 117.A N GLN 113.A O no hydrogen 2.972 N/A LYS 117.A NZ ASP 121.A OD2 no hydrogen 3.381 N/A GLN 118.A N LEU 114.A O no hydrogen 2.928 N/A ARG 119.A N LYS 115.A O no hydrogen 3.168 N/A ARG 119.A N ALA 116.A O no hydrogen 3.209 N/A LYS 120.A N ALA 116.A O no hydrogen 3.099 N/A LYS 120.A N LYS 117.A O no hydrogen 3.074 N/A ASP 121.A N LYS 117.A O no hydrogen 2.744 N/A ARG 123.A N ASP 121.A OD1 no hydrogen 3.076 N/A ARG 123.A NH2 CYS 39.A O no hydrogen 3.228 N/A CYS 125.A N ASP 121.A O no hydrogen 2.934 N/A ALA 126.A N PRO 122.A O no hydrogen 2.942 N/A PHE 127.A N ARG 123.A O no hydrogen 2.955 N/A VAL 128.A N PHE 124.A O no hydrogen 2.954 N/A GLN 129.A N CYS 125.A O no hydrogen 3.006 N/A GLU 130.A N ALA 126.A O no hydrogen 3.115 N/A GLU 130.A N PHE 127.A O no hydrogen 3.060 N/A ALA 131.A N PHE 127.A O no hydrogen 3.042 N/A GLU 132.A N VAL 128.A O no hydrogen 2.901 N/A SER 133.A N GLU 130.A O no hydrogen 3.137 N/A SER 133.A OG GLU 130.A O no hydrogen 2.718 N/A ARG 134.A N ALA 131.A O no hydrogen 3.189 N/A CYS 137.A N ARG 134.A O no hydrogen 3.034 N/A CYS 137.A SG ALA 131.A O no hydrogen 3.221 N/A ARG 138.A N PRO 135.A O no hydrogen 2.979 N/A LEU 140.A N CYS 137.A O no hydrogen 3.007 N/A GLN 141.A N ASP 144.A OD2 no hydrogen 2.989 N/A LEU 142.A N GLU 132.A OE2 no hydrogen 2.848 N/A ASP 144.A N GLN 141.A O no hydrogen 2.754 N/A MET 145.A N GLN 141.A O no hydrogen 3.010 N/A ILE 146.A N LEU 142.A O no hydrogen 3.418 N/A THR 148.A N MET 145.A O no hydrogen 3.116 N/A THR 148.A OG1 ASP 144.A O no hydrogen 2.932 N/A GLN 151.A N PRO 147.A O no hydrogen 2.998 N/A ARG 152.A N THR 148.A O no hydrogen 2.881 N/A ARG 152.A NH1 GLU 18.A OE1 no hydrogen 2.591 N/A LEU 153.A N GLU 149.A O no hydrogen 3.027 N/A THR 154.A N MET 150.A O no hydrogen 3.218 N/A THR 154.A OG1 GLN 151.A O no hydrogen 2.812 N/A LYS 155.A N GLN 151.A O no hydrogen 3.174 N/A LYS 155.A N ARG 152.A O no hydrogen 2.951 N/A TYR 156.A N ARG 152.A O no hydrogen 3.121 N/A TYR 156.A OH GLU 18.A OE1 no hydrogen 2.299 N/A TYR 156.A OH HIS 61.A ND1 no hydrogen 3.156 N/A LEU 159.A N LYS 155.A O no hydrogen 3.090 N/A LEU 160.A N TYR 156.A O no hydrogen 2.904 N/A GLN 161.A N PRO 157.A O no hydrogen 2.872 N/A SER 162.A N LEU 158.A O no hydrogen 3.370 N/A ILE 163.A N LEU 159.A O no hydrogen 3.275 N/A GLY 164.A N LEU 160.A O no hydrogen 2.931 N/A GLN 165.A N GLN 161.A O no hydrogen 2.765 N/A ASN 166.A N ILE 163.A O no hydrogen 2.944 N/A ASN 166.A ND2 SER 162.A O no hydrogen 3.311 N/A THR 167.A N GLY 164.A O no hydrogen 3.260 N/A THR 167.A OG1 ILE 163.A O no hydrogen 2.725 N/A THR 171.A OG1 GLU 169.A OE1 no hydrogen 3.205 N/A THR 171.A OG1 GLU 169.A OE2 no hydrogen 2.604 N/A GLU 172.A N GLU 169.A OE2 no hydrogen 3.012 N/A ARG 173.A N GLU 169.A O no hydrogen 3.075 N/A ARG 173.A NE GLU 177.A OE2 no hydrogen 3.187 N/A GLU 174.A N PRO 170.A O no hydrogen 3.056 N/A LYS 175.A N THR 171.A O no hydrogen 3.166 N/A VAL 176.A N GLU 172.A O no hydrogen 2.985 N/A GLU 177.A N ARG 173.A O no hydrogen 2.898 N/A LEU 178.A N GLU 174.A O no hydrogen 2.855 N/A ALA 179.A N LYS 175.A O no hydrogen 2.904 N/A ALA 180.A N VAL 176.A O no hydrogen 2.831 N/A GLU 181.A N GLU 177.A O no hydrogen 2.980 N/A CYS 182.A N LEU 178.A O no hydrogen 2.832 N/A CYS 182.A SG LEU 178.A O no hydrogen 3.303 N/A CYS 183.A N ALA 179.A O no hydrogen 3.013 N/A CYS 183.A SG ALA 179.A O no hydrogen 3.393 N/A ARG 184.A N ALA 180.A O no hydrogen 2.982 N/A GLU 185.A N GLU 181.A O no hydrogen 2.919 N/A ILE 186.A N CYS 182.A O no hydrogen 2.969 N/A LEU 187.A N CYS 183.A O no hydrogen 2.952 N/A HIS 188.A N ARG 184.A O no hydrogen 2.976 N/A HIS 189.A N GLU 185.A O no hydrogen 2.777 N/A VAL 190.A N ILE 186.A O no hydrogen 2.790 N/A ASN 191.A N LEU 187.A O no hydrogen 2.731 N/A GLN 192.A N HIS 188.A O no hydrogen 2.945 N/A ALA 193.A N HIS 189.A O no hydrogen 2.879 N/A VAL 194.A N VAL 190.A O no hydrogen 2.873 N/A ARG 195.A N ASN 191.A O no hydrogen 3.355 N/A ARG 195.A NE ASP 199.A OD1 no hydrogen 3.185 N/A ARG 195.A NH2 LEU 236.A O no hydrogen 2.953 N/A ASP 196.A N GLN 192.A O no hydrogen 2.888 N/A MET 197.A N ALA 193.A O no hydrogen 2.887 N/A GLU 198.A N VAL 194.A O no hydrogen 2.808 N/A ASP 199.A N ARG 195.A O no hydrogen 2.849 N/A LEU 200.A N ASP 196.A O no hydrogen 2.721 N/A LEU 201.A N MET 197.A O no hydrogen 2.998 N/A ARG 202.A N GLU 198.A O no hydrogen 3.254 N/A ARG 202.A NE TYR 206.A OH no hydrogen 3.549 N/A LEU 203.A N ASP 199.A O no hydrogen 2.848 N/A LYS 204.A N LEU 200.A O no hydrogen 2.852 N/A ASP 205.A N LEU 201.A O no hydrogen 3.225 N/A TYR 206.A N ARG 202.A O no hydrogen 3.042 N/A TYR 206.A OH GLU 239.A OE1 no hydrogen 2.581 N/A GLN 207.A N LEU 203.A O no hydrogen 2.843 N/A ARG 208.A N LYS 204.A O no hydrogen 3.100 N/A ARG 209.A N ASP 205.A O no hydrogen 3.143 N/A ARG 209.A NE ASP 205.A OD2 no hydrogen 3.326 N/A ARG 209.A NH1 GLU 271.A O no hydrogen 3.133 N/A LEU 210.A N TYR 206.A O no hydrogen 2.943 N/A LEU 210.A N GLN 207.A O no hydrogen 3.292 N/A ASP 211.A N LEU 273.A O no hydrogen 2.646 N/A SER 213.A N ASP 211.A OD1 no hydrogen 3.116 N/A SER 213.A OG ASP 211.A OD1 no hydrogen 2.843 N/A ARG 216.A N LEU 212.A O no hydrogen 3.123 N/A ARG 216.A NE LYS 227.A O no hydrogen 3.038 N/A GLN 217.A N SER 213.A O no hydrogen 3.106 N/A SER 218.A N HIS 214.A O no hydrogen 2.886 N/A ASP 220.A N SER 218.A OG no hydrogen 2.948 N/A MET 222.A N ASP 220.A OD1 no hydrogen 3.440 N/A LEU 223.A N ASP 220.A O no hydrogen 2.863 N/A SER 224.A N PRO 221.A O no hydrogen 3.253 N/A SER 224.A OG PRO 221.A O no hydrogen 3.025 N/A ILE 231.A N GLN 207.A OE1 no hydrogen 2.846 N/A THR 232.A N ASP 230.A OD1 no hydrogen 3.066 N/A LYS 234.A N ILE 231.A O no hydrogen 2.956 N/A LYS 234.A NZ ASP 261.A OD2 no hydrogen 2.716 N/A LEU 236.A N ASP 199.A OD2 no hydrogen 3.096 N/A VAL 237.A N LEU 258.A O no hydrogen 2.808 N/A HIS 238.A N LEU 258.A O no hydrogen 3.252 N/A GLY 240.A N VAL 256.A O no hydrogen 3.090 N/A LEU 242.A N VAL 254.A O no hydrogen 3.069 N/A THR 243.A N VAL 320.A O no hydrogen 2.891 N/A TRP 244.A N VAL 252.A O no hydrogen 2.757 N/A ARG 245.A N GLU 318.A O no hydrogen 2.864 N/A ARG 245.A NH1 ASP 300.A OD2 no hydrogen 2.938 N/A ARG 245.A NH1 GLU 318.A OE2 no hydrogen 2.981 N/A ARG 245.A NH2 ASP 300.A OD2 no hydrogen 3.443 N/A THR 247.A N LYS 250.A O no hydrogen 3.344 N/A ASP 249.A N THR 247.A OG1 no hydrogen 2.902 N/A VAL 252.A N TRP 244.A O no hydrogen 2.772 N/A VAL 254.A N LEU 242.A O no hydrogen 3.091 N/A HIS 255.A N LEU 266.A O no hydrogen 2.644 N/A VAL 256.A N GLY 240.A O no hydrogen 2.960 N/A LEU 257.A N LEU 264.A O no hydrogen 3.023 N/A LEU 258.A N HIS 238.A O no hydrogen 2.844 N/A LEU 259.A N LEU 262.A O no hydrogen 2.916 N/A LEU 263.A N LEU 287.A O no hydrogen 2.756 N/A LEU 264.A N LEU 257.A O no hydrogen 3.025 N/A LEU 265.A N PRO 285.A O no hydrogen 2.617 N/A LEU 266.A N HIS 255.A O no hydrogen 3.068 N/A GLN 267.A N LEU 274.A O no hydrogen 2.914 N/A GLN 269.A N ARG 272.A O no hydrogen 3.049 N/A ARG 272.A N GLN 269.A O no hydrogen 2.688 N/A ARG 272.A NH1 ARG 208.A O no hydrogen 3.566 N/A ARG 272.A NH2 LEU 210.A O no hydrogen 3.470 N/A LEU 273.A N ARG 209.A O no hydrogen 2.930 N/A LEU 274.A N GLN 267.A O no hydrogen 2.836 N/A LEU 275.A N ASP 211.A O no hydrogen 3.464 N/A SER 277.A OG THR 281.A O no hydrogen 2.745 N/A HIS 278.A ND1 LYS 276.A O no hydrogen 3.112 N/A SER 279.A OG SER 277.A O no hydrogen 3.378 N/A LEU 283.A N SER 279.A OG no hydrogen 2.709 N/A ARG 284.A N TYR 317.A OH no hydrogen 3.230 N/A LEU 287.A N LEU 263.A O no hydrogen 2.759 N/A LEU 289.A N ASP 261.A O no hydrogen 3.001 N/A ALA 292.A N LEU 289.A O no hydrogen 2.962 N/A MET 293.A N LEU 307.A O no hydrogen 3.034 N/A THR 294.A OG1 THR 335.A OG1 no hydrogen 3.175 N/A ARG 295.A N TYR 305.A O no hydrogen 2.884 N/A ASP 300.A N VAL 297.A O no hydrogen 3.111 N/A LYS 302.A N ASP 300.A OD1 no hydrogen 2.990 N/A ALA 303.A N ASP 300.A O no hydrogen 2.953 N/A PHE 304.A N LEU 319.A O no hydrogen 2.716 N/A TYR 305.A N ARG 295.A O no hydrogen 2.892 N/A VAL 306.A N TYR 317.A O no hydrogen 2.978 N/A LEU 307.A N MET 293.A O no hydrogen 3.029 N/A THR 309.A N SER 291.A O no hydrogen 3.152 N/A ASP 311.A N PHE 308.A O no hydrogen 2.886 N/A GLU 313.A N ASP 311.A OD1 no hydrogen 2.908 N/A TYR 317.A N VAL 306.A O no hydrogen 3.019 N/A TYR 317.A OH ARG 284.A O no hydrogen 3.366 N/A LEU 319.A N PHE 304.A O no hydrogen 2.836 N/A VAL 320.A N THR 243.A O no hydrogen 2.759 N/A ALA 321.A N LYS 302.A O no hydrogen 3.033 N/A GLN 322.A N GLU 326.A OE2 no hydrogen 3.464 N/A GLU 326.A N THR 323.A OG1 no hydrogen 3.069 N/A ARG 327.A N THR 323.A O no hydrogen 3.154 N/A ARG 327.A NH1 HIS 301.A O no hydrogen 2.637 N/A LYS 328.A N VAL 324.A O no hydrogen 2.854 N/A ASN 329.A N SER 325.A O no hydrogen 2.777 N/A TRP 330.A N GLU 326.A O no hydrogen 2.983 N/A CYS 331.A N ARG 327.A O no hydrogen 2.944 N/A CYS 331.A SG ARG 327.A O no hydrogen 3.401 N/A ALA 332.A N LYS 328.A O no hydrogen 2.896 N/A LEU 333.A N ASN 329.A O no hydrogen 2.919 N/A ILE 334.A N TRP 330.A O no hydrogen 2.826 N/A THR 335.A N CYS 331.A O no hydrogen 3.009 N/A THR 335.A OG1 CYS 331.A O no hydrogen 2.710 N/A GLU 336.A N ALA 332.A O no hydrogen 2.971 N/A THR 337.A N LEU 333.A O no hydrogen 2.986 N/A THR 337.A OG1 LEU 333.A O no hydrogen 2.756 N/A ALA 338.A N ILE 334.A O no hydrogen 2.923 N/A GLY 339.A N THR 335.A O no hydrogen 2.812 N/A SER 340.A N THR 337.A O no hydrogen 3.251 N/A SER 340.A OG GLU 336.A O no hydrogen 3.464 N/A LEU 341.A N ALA 338.A O no hydrogen 3.174 N/A