Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k1l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N GLU 1.A O no hydrogen 2.681 N/A LEU 6.A N ASP 2.A O no hydrogen 2.770 N/A LEU 7.A N VAL 3.A O no hydrogen 2.814 N/A CYS 8.A N GLU 4.A O no hydrogen 2.687 N/A GLN 9.A N LEU 6.A O no hydrogen 3.015 N/A LYS 10.A NZ TYR 11.A OH no hydrogen 3.415 N/A LYS 10.A NZ GLU 79.A OE2 no hydrogen 2.740 N/A LYS 10.A NZ ASP 83.A OD1 no hydrogen 2.574 N/A TYR 11.A N LEU 7.A O no hydrogen 3.235 N/A TYR 11.A OH ASP 83.A OD1 no hydrogen 3.035 N/A LEU 14.A N TYR 11.A O no hydrogen 3.030 N/A ALA 15.A N ARG 27.A O no hydrogen 2.751 N/A GLU 17.A N ILE 25.A O no hydrogen 2.832 N/A GLY 22.A N GLN 19.A O no hydrogen 3.179 N/A ALA 23.A N SER 21.A OG no hydrogen 3.399 N/A CYS 24.A N LEU 43.A O no hydrogen 3.329 N/A CYS 24.A SG HIS 46.A ND1 no hydrogen 3.912 N/A ILE 25.A N GLU 17.A O no hydrogen 2.959 N/A ILE 26.A N LEU 41.A O no hydrogen 2.805 N/A ARG 27.A N ALA 15.A O no hydrogen 2.961 N/A GLY 28.A N LEU 39.A O no hydrogen 3.049 N/A VAL 29.A N GLY 13.A O no hydrogen 2.822 N/A LEU 30.A N ARG 37.A O no hydrogen 2.952 N/A THR 35.A N SER 32.A O no hydrogen 3.290 N/A THR 35.A OG1 ASP 34.A OD1 no hydrogen 2.997 N/A TRP 36.A NE1 GLU 33.A O no hydrogen 2.679 N/A ARG 37.A N LEU 30.A O no hydrogen 3.092 N/A ARG 37.A NH1 PRO 90.A O no hydrogen 2.897 N/A LYS 40.A N TYR 55.A O no hydrogen 2.916 N/A LEU 41.A N ILE 26.A O no hydrogen 2.694 N/A TYR 42.A N GLN 53.A O no hydrogen 3.000 N/A LEU 43.A N CYS 24.A O no hydrogen 2.893 N/A HIS 46.A N LEU 43.A O no hydrogen 3.121 N/A ALA 48.A N HIS 45.A O no hydrogen 2.776 N/A GLN 53.A N TYR 42.A O no hydrogen 3.053 N/A GLN 53.A NE2 GLY 51.A O no hydrogen 3.224 N/A LEU 54.A N TYR 65.A O no hydrogen 2.951 N/A TYR 55.A N LYS 40.A O no hydrogen 2.805 N/A VAL 56.A N LYS 63.A O no hydrogen 3.036 N/A GLN 57.A N ARG 38.A O no hydrogen 3.117 N/A GLU 58.A N GLU 61.A O no hydrogen 2.710 N/A GLU 61.A N GLU 58.A O no hydrogen 3.064 N/A LYS 63.A N VAL 56.A O no hydrogen 3.013 N/A LYS 63.A NZ TYR 65.A OH no hydrogen 3.184 N/A TYR 65.A N LEU 54.A O no hydrogen 2.701 N/A TYR 65.A OH GLU 58.A OE2 no hydrogen 3.154 N/A ASN 69.A N THR 66.A O no hydrogen 2.795 N/A LEU 70.A N THR 66.A O no hydrogen 2.751 N/A TRP 76.A N GLN 73.A O no hydrogen 3.166 N/A LEU 77.A N ASP 80.A OD2 no hydrogen 3.299 N/A PHE 81.A N LEU 77.A O no hydrogen 2.988 N/A LEU 82.A N LEU 78.A O no hydrogen 2.803 N/A ASP 83.A N GLU 79.A O no hydrogen 3.344 N/A HIS 84.A N ASP 80.A O no hydrogen 3.007 N/A LEU 85.A N LEU 82.A O no hydrogen 3.132 N/A LYS 87.A N HIS 84.A O no hydrogen 2.850 N/A ILE 88.A N HIS 84.A O no hydrogen 3.254 N/A LEU 89.A N LEU 85.A O no hydrogen 3.019 N/A THR 96.A OG1 VAL 97.A O no hydrogen 3.270 N/A ASP 109.A N ASN 105.A O no hydrogen 3.008 N/A ILE 110.A N ILE 106.A O no hydrogen 2.782 N/A LEU 111.A N TYR 107.A O no hydrogen 3.235 N/A ALA 112.A N TYR 108.A O no hydrogen 2.988 N/A LEU 113.A N ILE 110.A O no hydrogen 2.772 N/A GLU 118.A N SER 116.A OG no hydrogen 3.229 N/A TYR 119.A OH LEU 113.A O no hydrogen 2.973 N/A CYS 120.A N SER 133.A O no hydrogen 2.888 N/A GLN 122.A N ARG 131.A O no hydrogen 2.935 N/A ASP 124.A N MET 129.A O no hydrogen 3.038 N/A CYS 127.A N ASP 124.A O no hydrogen 2.708 N/A SER 128.A OG ASP 124.A OD2 no hydrogen 3.061 N/A SER 128.A OG GLU 125.A O no hydrogen 3.221 N/A ILE 130.A N LEU 145.A O no hydrogen 3.011 N/A ARG 131.A N GLN 122.A O no hydrogen 2.918 N/A ARG 131.A NE GLU 144.A OE2 no hydrogen 2.970 N/A PHE 132.A N LEU 143.A O no hydrogen 2.816 N/A SER 133.A N CYS 120.A O no hydrogen 3.016 N/A SER 133.A OG CYS 120.A O no hydrogen 3.319 N/A THR 136.A N GLU 118.A O no hydrogen 2.832 N/A ASP 137.A N GLU 139.A OE2 no hydrogen 2.876 N/A PHE 138.A N PHE 135.A O no hydrogen 2.968 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.586 N/A HIS 141.A N PHE 138.A O no hydrogen 2.742 N/A TYR 142.A N SER 156.A OG no hydrogen 2.882 N/A LEU 143.A N PHE 132.A O no hydrogen 2.980 N/A GLU 144.A N ASP 154.A O no hydrogen 3.024 N/A LEU 145.A N ILE 130.A O no hydrogen 3.102 N/A LYS 146.A N LEU 151.A O no hydrogen 2.764 N/A ILE 147.A N SER 128.A O no hydrogen 2.795 N/A LEU 150.A N LYS 146.A O no hydrogen 2.676 N/A LEU 153.A N GLU 144.A O no hydrogen 2.833 N/A HIS 155.A N ASP 154.A OD1 no hydrogen 2.585 N/A SER 156.A N TYR 142.A O no hydrogen 3.145 N/A SER 156.A OG TYR 142.A O no hydrogen 3.223 N/A LEU 157.A N SER 212.A OG no hydrogen 3.081 N/A VAL 161.A N PRO 158.A O no hydrogen 3.120 N/A MET 166.A N SER 162.A O no hydrogen 2.880 N/A LEU 167.A N LEU 163.A O no hydrogen 2.787 N/A THR 168.A N GLY 164.A O no hydrogen 3.058 N/A THR 168.A OG1 GLY 164.A O no hydrogen 2.957 N/A THR 168.A OG1 GLU 165.A O no hydrogen 3.172 N/A LYS 169.A N GLU 165.A O no hydrogen 3.144 N/A SER 170.A N MET 166.A O no hydrogen 2.756 N/A SER 170.A OG MET 166.A O no hydrogen 3.254 N/A ALA 171.A N LEU 167.A O no hydrogen 2.842 N/A GLY 172.A N GLU 176.A OE1 no hydrogen 2.469 N/A GLU 176.A N ASN 173.A OD1 no hydrogen 2.630 N/A ALA 177.A N ASN 173.A O no hydrogen 2.991 N/A LEU 178.A N LEU 174.A O no hydrogen 2.973 N/A ASN 179.A N GLU 175.A O no hydrogen 3.137 N/A LEU 180.A N GLU 176.A O no hydrogen 2.969 N/A PHE 181.A N ALA 177.A O no hydrogen 3.075 N/A ARG 182.A N LEU 178.A O no hydrogen 3.002 N/A LYS 183.A N ASN 179.A O no hydrogen 2.733 N/A LYS 183.A NZ ASP 187.A OD1 no hydrogen 3.114 N/A LEU 184.A N LEU 180.A O no hydrogen 3.199 N/A LEU 185.A N PHE 181.A O no hydrogen 3.041 N/A GLU 186.A N ARG 182.A O no hydrogen 3.107 N/A ASP 187.A N LYS 183.A O no hydrogen 2.956 N/A LEU 188.A N LEU 185.A O no hydrogen 3.025 N/A ARG 189.A N GLU 186.A O no hydrogen 3.142 N/A ARG 189.A NE GLU 186.A OE1 no hydrogen 2.958 N/A ARG 189.A NH2 GLU 186.A OE2 no hydrogen 3.329 N/A TYR 192.A N LEU 188.A O no hydrogen 2.946 N/A TYR 192.A OH SER 212.A O no hydrogen 2.525 N/A ASP 193.A N ARG 189.A O no hydrogen 2.548 N/A ASN 194.A N PRO 190.A O no hydrogen 3.004 N/A ASN 194.A ND2 PRO 190.A O no hydrogen 3.167 N/A PHE 195.A N PHE 191.A O no hydrogen 3.455 N/A MET 196.A N TYR 192.A O no hydrogen 3.135 N/A ASP 199.A N PHE 195.A O no hydrogen 2.787 N/A GLU 200.A N MET 196.A O no hydrogen 3.153 N/A LEU 201.A N ASP 197.A O no hydrogen 2.825 N/A CYS 202.A N ILE 198.A O no hydrogen 2.938 N/A CYS 202.A SG HIS 273.A ND1 no hydrogen 3.829 N/A LEU 205.A N LEU 218.A O no hydrogen 2.717 N/A LYS 213.A N SER 211.A OG no hydrogen 3.119 N/A LYS 213.A NZ HIS 155.A O no hydrogen 3.052 N/A LYS 213.A NZ LEU 157.A O no hydrogen 3.235 N/A LYS 213.A NZ ASP 159.A OD1 no hydrogen 2.783 N/A HIS 214.A N SER 211.A O no hydrogen 3.191 N/A HIS 214.A NE2 PRO 209.A O no hydrogen 2.877 N/A ARG 217.A N LEU 229.A O no hydrogen 2.815 N/A LEU 218.A N GLN 206.A O no hydrogen 2.880 N/A PHE 219.A N LEU 227.A O no hydrogen 3.153 N/A LEU 221.A N VAL 225.A O no hydrogen 2.771 N/A LYS 222.A N VAL 225.A O no hydrogen 3.403 N/A LYS 222.A NZ GLU 251.A OE1 no hydrogen 3.042 N/A VAL 225.A N LYS 222.A O no hydrogen 3.156 N/A TYR 226.A N ILE 246.A O no hydrogen 2.605 N/A LEU 227.A N PHE 219.A O no hydrogen 2.845 N/A LYS 228.A N LYS 244.A O no hydrogen 2.874 N/A LYS 228.A NZ ALA 372.A O no hydrogen 3.266 N/A LEU 229.A N ARG 217.A O no hydrogen 2.824 N/A THR 230.A N SER 242.A O no hydrogen 2.889 N/A ILE 231.A N LYS 215.A O no hydrogen 3.014 N/A ALA 232.A N SER 240.A O no hydrogen 3.055 N/A ASP 233.A N SER 240.A OG no hydrogen 2.735 N/A PHE 235.A N ASP 233.A OD1 no hydrogen 2.827 N/A ALA 236.A N ASP 233.A O no hydrogen 3.042 N/A SER 240.A N ALA 236.A O no hydrogen 2.927 N/A SER 240.A OG ASP 233.A O no hydrogen 2.797 N/A SER 240.A OG ALA 236.A O no hydrogen 2.748 N/A MET 241.A N ILE 238.A O no hydrogen 3.149 N/A LYS 244.A N LYS 228.A O no hydrogen 3.210 N/A ILE 246.A N TYR 226.A O no hydrogen 2.768 N/A GLY 247.A N SER 369.A OG no hydrogen 3.111 N/A THR 249.A N ASP 325.A OD2 no hydrogen 3.303 N/A THR 249.A OG1 GLU 250.A OE1 no hydrogen 3.092 N/A THR 249.A OG1 ASP 325.A OD1 no hydrogen 2.462 N/A GLU 250.A N GLU 250.A OE1 no hydrogen 2.480 N/A VAL 252.A N PRO 248.A O no hydrogen 2.812 N/A ALA 253.A N THR 249.A O no hydrogen 2.768 N/A ARG 254.A N GLU 250.A O no hydrogen 2.725 N/A LEU 255.A N GLU 251.A O no hydrogen 2.802 N/A ARG 256.A N VAL 252.A O no hydrogen 2.851 N/A HIS 257.A N ARG 254.A O no hydrogen 3.100 N/A LEU 259.A N LEU 255.A O no hydrogen 2.952 N/A SER 260.A N ARG 256.A O no hydrogen 3.262 N/A SER 260.A OG ARG 256.A O no hydrogen 2.887 N/A SER 260.A OG HIS 257.A O no hydrogen 3.302 N/A ASP 261.A N HIS 257.A O no hydrogen 3.179 N/A GLY 262.A N VAL 258.A O no hydrogen 2.746 N/A LEU 263.A N LEU 259.A O no hydrogen 2.970 N/A SER 264.A N SER 260.A O no hydrogen 3.014 N/A SER 264.A OG SER 260.A O no hydrogen 3.279 N/A ASN 265.A N ASP 261.A O no hydrogen 2.915 N/A TRP 266.A N LEU 263.A O no hydrogen 3.009 N/A ASP 267.A N ASN 275.A OD1 no hydrogen 3.224 N/A GLU 269.A N ASP 267.A OD2 no hydrogen 2.755 N/A MET 270.A N ASP 267.A O no hydrogen 2.917 N/A ILE 272.A N ASN 194.A OD1 no hydrogen 2.978 N/A LYS 274.A N ASN 271.A OD1 no hydrogen 2.823 N/A ASN 275.A N ASN 271.A O no hydrogen 3.152 N/A ASN 275.A ND2 ASP 267.A O no hydrogen 2.667 N/A ASN 275.A ND2 MET 270.A O no hydrogen 3.086 N/A ASN 275.A ND2 ASN 271.A O no hydrogen 3.464 N/A LEU 276.A N ILE 272.A O no hydrogen 2.784 N/A LEU 277.A N HIS 273.A O no hydrogen 2.982 N/A ARG 278.A N LYS 274.A O no hydrogen 2.990 N/A ARG 278.A NH1 ASN 265.A O no hydrogen 2.632 N/A MET 279.A N ASN 275.A O no hydrogen 2.872 N/A PHE 280.A N LEU 276.A O no hydrogen 3.049 N/A ASP 281.A N ARG 278.A O no hydrogen 3.298 N/A LEU 282.A N LEU 277.A O no hydrogen 3.029 N/A ASP 289.A N ASP 292.A OD1 no hydrogen 3.020 N/A SER 291.A OG ASP 289.A OD2 no hydrogen 2.999 N/A ASP 292.A N ASP 289.A O no hydrogen 2.814 N/A GLY 293.A N TRP 290.A O no hydrogen 2.983 N/A ASN 301.A ND2 GLU 299.A O no hydrogen 3.047 N/A ASN 301.A ND2 ASP 300.A O no hydrogen 2.605 N/A GLU 302.A N GLU 302.A OE1 no hydrogen 2.930 N/A CYS 306.A SG HIS 334.A ND1 no hydrogen 3.547 N/A CYS 309.A SG HIS 334.A ND1 no hydrogen 3.210 N/A ARG 313.A NE SER 208.A OG no hydrogen 3.066 N/A LEU 314.A N GLU 318.A O no hydrogen 3.037 N/A GLY 317.A N LEU 314.A O no hydrogen 2.682 N/A GLU 318.A N GLU 318.A OE1 no hydrogen 2.988 N/A VAL 319.A N GLN 206.A OE1 no hydrogen 3.105 N/A VAL 322.A N CYS 333.A O no hydrogen 2.911 N/A SER 323.A OG LEU 331.A O no hydrogen 3.252 N/A ASP 325.A N LYS 365.A O no hydrogen 2.811 N/A LYS 328.A N ASN 326.A OD1 no hydrogen 2.605 N/A CYS 329.A N ASN 326.A O no hydrogen 2.726 N/A CYS 337.A SG HIS 334.A ND1 no hydrogen 3.777 N/A LEU 338.A N ALA 335.A O no hydrogen 2.832 N/A GLU 339.A N VAL 336.A O no hydrogen 2.878 N/A GLU 340.A N GLU 340.A OE1 no hydrogen 2.767 N/A PHE 342.A N LEU 338.A O no hydrogen 3.107 N/A LYS 343.A N GLU 339.A O no hydrogen 3.145 N/A LYS 343.A N GLU 340.A O no hydrogen 2.596 N/A LYS 343.A NZ GLU 339.A OE2 no hydrogen 3.095 N/A THR 344.A N GLU 340.A O no hydrogen 2.579 N/A MET 346.A N PHE 342.A O no hydrogen 3.344 N/A LYS 349.A N ASP 347.A O no hydrogen 2.597 N/A LEU 352.A N THR 350.A OG1 no hydrogen 2.942 N/A VAL 354.A N THR 350.A O no hydrogen 2.968 N/A GLY 357.A N LEU 366.A O no hydrogen 3.010 N/A CYS 359.A N ALA 364.A O no hydrogen 2.758 N/A LYS 363.A N CYS 359.A O no hydrogen 2.767 N/A LEU 366.A N GLY 357.A O no hydrogen 2.826 N/A SER 367.A OG GLY 247.A O no hydrogen 3.147 N/A SER 367.A OG SER 369.A OG no hydrogen 2.796 N/A THR 368.A N SER 355.A O no hydrogen 2.635 N/A THR 368.A OG1 VAL 354.A O no hydrogen 2.556 N/A THR 368.A OG1 SER 355.A O no hydrogen 3.135 N/A SER 369.A N SER 367.A OG no hydrogen 2.960 N/A SER 369.A OG GLY 247.A O no hydrogen 3.118 N/A SER 369.A OG SER 367.A OG no hydrogen 2.796 N/A ALA 371.A N THR 368.A O no hydrogen 3.020 N/A ALA 372.A N SER 369.A O no hydrogen 3.167 N/A LEU 373.A N PHE 370.A O no hydrogen 2.753 N/A LEU 374.A N ALA 371.A O no hydrogen 3.055 N/A ASP 376.A N LEU 374.A O no hydrogen 2.470 N/A