Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bqw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A OG1 PRO 311.A O no hydrogen 2.630 N/A GLN 8.A N ASN 5.A OD1 no hydrogen 3.217 N/A LEU 9.A N ASN 5.A O no hydrogen 3.157 N/A PHE 10.A N THR 6.A O no hydrogen 2.758 N/A ALA 11.A N ASN 7.A O no hydrogen 2.994 N/A TYR 12.A N LEU 9.A O no hydrogen 3.215 N/A LEU 13.A N LEU 9.A O no hydrogen 3.054 N/A ASN 14.A N PHE 10.A O no hydrogen 2.818 N/A ARG 15.A N TYR 12.A O no hydrogen 2.999 N/A ARG 15.A NE ASP 17.A OD1 no hydrogen 3.033 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.747 N/A PHE 21.A N ILE 18.A O no hydrogen 2.784 N/A LYS 22.A N ILE 18.A O no hydrogen 3.040 N/A PHE 23.A N ALA 19.A O no hydrogen 2.977 N/A PHE 27.A N GLU 133.A OE2 no hydrogen 2.896 N/A THR 28.A N GLU 133.A OE1 no hydrogen 2.888 N/A THR 28.A OG1 GLU 133.A OE1 no hydrogen 2.859 N/A THR 29.A N PRO 25.A O no hydrogen 2.936 N/A THR 29.A OG1 SER 24.A O no hydrogen 2.835 N/A THR 29.A OG1 PRO 25.A O no hydrogen 2.840 N/A LEU 30.A N LEU 26.A O no hydrogen 2.836 N/A PHE 31.A N PHE 27.A O no hydrogen 2.863 N/A PHE 32.A N THR 28.A O no hydrogen 2.894 N/A ASN 34.A N GLY 287.A O no hydrogen 3.338 N/A ALA 36.A N VAL 289.A O no hydrogen 3.222 N/A PHE 38.A N TYR 291.A O no hydrogen 2.764 N/A THR 40.A OG1 ASN 42.A O no hydrogen 2.713 N/A ILE 43.A N ILE 78.A O no hydrogen 2.853 N/A LEU 45.A N SER 76.A O no hydrogen 2.830 N/A THR 47.A N MET 44.A O no hydrogen 3.101 N/A THR 47.A OG1 MET 44.A O no hydrogen 2.617 N/A LEU 48.A N LEU 45.A O no hydrogen 3.308 N/A THR 54.A N PRO 335.A O no hydrogen 3.046 N/A THR 54.A OG1 PRO 335.A O no hydrogen 2.935 N/A THR 54.A OG1 ALA 336.A O no hydrogen 2.660 N/A SER 56.A OG GLU 74.A OE1 no hydrogen 2.683 N/A ALA 57.A N THR 75.A O no hydrogen 2.999 N/A PHE 58.A N ASP 158.A O no hydrogen 3.068 N/A CYS 59.A N TYR 73.A O no hydrogen 3.014 N/A CYS 59.A SG ALA 57.A O no hydrogen 3.991 N/A SER 60.A N GLU 156.A O no hydrogen 2.996 N/A VAL 63.A N GLN 66.A O no hydrogen 2.836 N/A GLN 66.A N VAL 63.A O no hydrogen 2.991 N/A GLN 68.A N PRO 61.A O no hydrogen 2.797 N/A GLN 68.A NE2 GLN 66.A O no hydrogen 3.341 N/A ARG 69.A NH2 ASP 158.A OD2 no hydrogen 2.580 N/A LYS 71.A N GLN 68.A O no hydrogen 2.940 N/A GLY 72.A N ARG 69.A O no hydrogen 3.184 N/A TYR 73.A N CYS 59.A O no hydrogen 3.047 N/A THR 75.A N ALA 57.A O no hydrogen 2.902 N/A THR 75.A OG1 THR 77.A O no hydrogen 3.278 N/A SER 76.A OG ASP 46.A OD1 no hydrogen 3.130 N/A THR 77.A N THR 75.A OG1 no hydrogen 3.051 N/A ILE 78.A N ILE 43.A O no hydrogen 2.894 N/A LYS 79.A NZ PRO 80.A O no hydrogen 2.523 N/A MET 83.A N SER 329.A O no hydrogen 2.757 N/A HIS 87.A N VAL 325.A O no hydrogen 2.937 N/A ILE 89.A N GLU 323.A O no hydrogen 2.828 N/A THR 92.A N ASP 90.A OD1 no hydrogen 2.766 N/A THR 92.A OG1 ASP 90.A OD1 no hydrogen 2.668 N/A THR 92.A OG1 ASP 90.A OD2 no hydrogen 3.368 N/A LYS 93.A N ASP 90.A O no hydrogen 3.158 N/A MET 98.A N GLU 101.A OE1 no hydrogen 3.394 N/A GLN 105.A N ASP 102.A O no hydrogen 3.375 N/A GLN 105.A NE2 ASP 102.A OD2 no hydrogen 3.420 N/A LEU 106.A N PRO 103.A O no hydrogen 3.214 N/A ASP 108.A N GLN 105.A O no hydrogen 2.859 N/A THR 110.A N ASP 108.A OD1 no hydrogen 2.974 N/A ARG 112.A N ASP 108.A O no hydrogen 3.047 N/A ARG 112.A NH1 LEU 106.A O no hydrogen 3.097 N/A ARG 112.A NH2 PRO 91.A O no hydrogen 3.473 N/A ARG 113.A N PRO 109.A O no hydrogen 2.883 N/A ARG 113.A NE GLU 323.A OE1 no hydrogen 2.891 N/A ARG 113.A NE GLU 323.A OE2 no hydrogen 3.406 N/A ARG 113.A NH2 GLU 323.A OE2 no hydrogen 3.086 N/A MET 114.A N THR 110.A O no hydrogen 2.974 N/A ARG 115.A N TYR 111.A O no hydrogen 2.962 N/A ARG 115.A NH2 MET 96.A O no hydrogen 3.110 N/A LEU 116.A N ARG 112.A O no hydrogen 3.104 N/A ILE 117.A N ARG 113.A O no hydrogen 2.812 N/A THR 118.A N MET 114.A O no hydrogen 2.949 N/A THR 118.A OG1 MET 114.A O no hydrogen 2.740 N/A THR 118.A OG1 ARG 115.A O no hydrogen 3.194 N/A GLY 119.A N ARG 115.A O no hydrogen 2.947 N/A ASN 120.A N LEU 116.A O no hydrogen 2.969 N/A ASN 120.A ND2 LEU 116.A O no hydrogen 2.736 N/A MET 121.A N ILE 117.A O no hydrogen 2.832 N/A ARG 122.A N THR 118.A O no hydrogen 2.944 N/A ARG 122.A NH1 TYR 12.A OH no hydrogen 2.948 N/A ARG 123.A N GLY 119.A O no hydrogen 3.194 N/A ARG 123.A NH1 ASN 120.A OD1 no hydrogen 3.012 N/A GLN 124.A N ASN 120.A O no hydrogen 2.874 N/A GLN 124.A NE2 VAL 325.A O no hydrogen 2.978 N/A ILE 125.A N MET 121.A O no hydrogen 3.014 N/A ASN 126.A N ARG 122.A O no hydrogen 3.055 N/A ALA 127.A N ARG 123.A O no hydrogen 3.056 N/A ILE 128.A N GLN 124.A O no hydrogen 3.035 N/A LYS 129.A N ILE 125.A O no hydrogen 2.844 N/A LYS 129.A NZ GLU 20.A O no hydrogen 2.754 N/A LYS 129.A NZ PHE 21.A O no hydrogen 3.029 N/A LYS 129.A NZ PHE 23.A O no hydrogen 2.771 N/A ALA 130.A N ASN 126.A O no hydrogen 2.983 N/A ARG 131.A N ALA 127.A O no hydrogen 3.075 N/A VAL 132.A N ILE 128.A O no hydrogen 3.071 N/A GLU 133.A N LYS 129.A O no hydrogen 2.947 N/A TRP 134.A N ALA 130.A O no hydrogen 2.972 N/A LEU 135.A N ARG 131.A O no hydrogen 2.965 N/A ALA 136.A N VAL 132.A O no hydrogen 2.795 N/A VAL 137.A N GLU 133.A O no hydrogen 2.838 N/A ASN 138.A N TRP 134.A O no hydrogen 3.005 N/A ALA 139.A N LEU 135.A O no hydrogen 3.003 N/A VAL 140.A N ALA 136.A O no hydrogen 3.062 N/A THR 141.A N VAL 137.A O no hydrogen 2.958 N/A THR 141.A OG1 VAL 137.A O no hydrogen 2.740 N/A THR 142.A N ASN 138.A O no hydrogen 2.901 N/A THR 142.A OG1 ASN 138.A O no hydrogen 2.622 N/A GLY 143.A N ALA 139.A O no hydrogen 2.755 N/A LYS 144.A N THR 142.A OG1 no hydrogen 3.097 N/A ASN 145.A N ILE 157.A O no hydrogen 2.923 N/A ILE 147.A N TYR 155.A O no hydrogen 2.781 N/A GLU 150.A N TYR 82.A O no hydrogen 3.496 N/A ILE 152.A N GLY 149.A O no hydrogen 3.473 N/A ARG 154.A NE GLU 148.A OE2 no hydrogen 2.977 N/A TYR 155.A N ILE 147.A O no hydrogen 3.027 N/A TYR 155.A OH LYS 79.A O no hydrogen 2.500 N/A GLU 156.A N SER 60.A O no hydrogen 2.914 N/A ILE 157.A N ASN 145.A O no hydrogen 2.809 N/A ASP 158.A N PHE 58.A O no hydrogen 2.867 N/A TRP 159.A N GLY 143.A O no hydrogen 2.773 N/A LYS 160.A N ASP 158.A OD1 no hydrogen 2.844 N/A LYS 164.A NZ GLN 195.A OE1 no hydrogen 3.422 N/A ASN 165.A N PRO 162.A O no hydrogen 3.012 N/A ASN 165.A ND2 GLN 195.A O no hydrogen 3.469 N/A ILE 166.A N GLU 163.A O no hydrogen 3.138 N/A ILE 167.A N THR 343.A O no hydrogen 2.742 N/A GLN 169.A N LYS 345.A O no hydrogen 2.879 N/A ASP 171.A N GLU 168.A O no hydrogen 3.082 N/A GLY 172.A N GLN 169.A O no hydrogen 2.735 N/A TRP 175.A NE1 ASP 188.A OD2 no hydrogen 2.920 N/A SER 176.A OG ALA 347.A O no hydrogen 2.490 N/A GLU 177.A N LYS 174.A O no hydrogen 3.191 N/A GLN 178.A N TRP 175.A O no hydrogen 3.035 N/A GLN 178.A NE2 LYS 174.A O no hydrogen 2.894 N/A LYS 180.A NZ TRP 175.A O no hydrogen 2.890 N/A LYS 180.A NZ GLN 178.A O no hydrogen 3.373 N/A GLU 181.A N ASP 179.A OD1 no hydrogen 2.932 N/A THR 182.A N ASP 179.A O no hydrogen 3.093 N/A HIS 183.A N ASP 179.A O no hydrogen 2.839 N/A TYR 187.A N TYR 184.A O no hydrogen 3.287 N/A ASP 188.A N PRO 185.A O no hydrogen 3.121 N/A ILE 189.A N PRO 185.A O no hydrogen 3.131 N/A GLU 190.A N ILE 186.A O no hydrogen 2.879 N/A LEU 191.A N TYR 187.A O no hydrogen 3.099 N/A TYR 192.A N ASP 188.A O no hydrogen 2.822 N/A TYR 192.A OH GLN 169.A OE1 no hydrogen 2.825 N/A ALA 193.A N ILE 189.A O no hydrogen 2.870 N/A ASP 194.A N GLU 190.A O no hydrogen 3.041 N/A GLN 195.A N TYR 192.A O no hydrogen 3.158 N/A ALA 196.A N ALA 193.A O no hydrogen 3.040 N/A GLY 197.A N ASP 194.A O no hydrogen 3.237 N/A CYS 198.A SG PRO 199.A O no hydrogen 3.643 N/A ASN 201.A N GLY 281.A O no hydrogen 2.945 N/A ASN 201.A ND2 THR 283.A OG1 no hydrogen 3.062 N/A VAL 202.A N GLY 281.A O no hydrogen 3.129 N/A MET 203.A N ALA 254.A O no hydrogen 2.716 N/A ILE 204.A N VAL 279.A O no hydrogen 2.917 N/A MET 205.A N ILE 256.A O no hydrogen 2.814 N/A GLY 206.A N LEU 277.A O no hydrogen 2.837 N/A GLU 208.A N PRO 275.A O no hydrogen 3.103 N/A VAL 209.A N PRO 275.A O no hydrogen 3.232 N/A TRP 210.A N GLY 206.A O no hydrogen 3.102 N/A ARG 211.A N ALA 207.A O no hydrogen 3.004 N/A ARG 211.A NE GLU 208.A OE1 no hydrogen 2.848 N/A ARG 211.A NE GLU 208.A OE2 no hydrogen 3.357 N/A ARG 211.A NH2 GLU 208.A OE2 no hydrogen 2.679 N/A THR 212.A N GLU 208.A O no hydrogen 3.060 N/A THR 212.A OG1 GLU 208.A O no hydrogen 2.963 N/A LEU 213.A N VAL 209.A O no hydrogen 2.905 N/A ARG 214.A N TRP 210.A O no hydrogen 2.938 N/A SER 215.A N ARG 211.A O no hydrogen 3.185 N/A SER 215.A N THR 212.A O no hydrogen 2.949 N/A SER 215.A OG THR 212.A O no hydrogen 2.533 N/A PHE 216.A N LEU 213.A O no hydrogen 3.310 N/A LYS 217.A N LYS 180.A O no hydrogen 2.974 N/A LYS 217.A NZ GLU 181.A OE1 no hydrogen 3.322 N/A ARG 220.A N PHE 216.A O no hydrogen 3.093 N/A ARG 220.A NE ARG 214.A O no hydrogen 2.952 N/A GLU 221.A N LYS 217.A O no hydrogen 3.106 N/A LEU 222.A N PHE 219.A O no hydrogen 3.020 N/A TYR 223.A N PHE 219.A O no hydrogen 2.743 N/A TYR 223.A OH LYS 247.A O no hydrogen 2.857 N/A ASP 224.A N TYR 249.A O no hydrogen 3.103 N/A SER 226.A N ASP 224.A OD1 no hydrogen 3.206 N/A ARG 227.A NH2 LEU 225.A O no hydrogen 3.318 N/A GLY 228.A N GLU 234.A OE1 no hydrogen 3.265 N/A SER 229.A N GLU 234.A OE2 no hydrogen 2.739 N/A GLU 230.A N GLU 234.A OE1 no hydrogen 3.180 N/A SER 231.A OG TYR 249.A OH no hydrogen 2.737 N/A GLU 234.A N SER 231.A OG no hydrogen 3.016 N/A LEU 235.A N SER 231.A O no hydrogen 2.946 N/A ALA 236.A N ALA 232.A O no hydrogen 2.939 N/A CYS 237.A N GLU 234.A O no hydrogen 3.177 N/A CYS 237.A SG ALA 233.A O no hydrogen 3.566 N/A LYS 238.A N LEU 235.A O no hydrogen 3.348 N/A LEU 240.A N CYS 237.A O no hydrogen 2.991 N/A VAL 243.A N LEU 240.A O no hydrogen 3.027 N/A VAL 244.A N LEU 240.A O no hydrogen 2.964 N/A SER 245.A N VAL 257.A O no hydrogen 2.912 N/A LYS 247.A N LEU 255.A O no hydrogen 2.796 N/A LYS 247.A NZ SER 245.A OG no hydrogen 3.220 N/A TYR 249.A N ASP 224.A O no hydrogen 2.955 N/A TYR 249.A OH SER 231.A OG no hydrogen 2.737 N/A TYR 249.A OH GLU 234.A OE1 no hydrogen 2.626 N/A LEU 250.A N LEU 253.A O no hydrogen 2.840 N/A LEU 253.A N LEU 250.A O no hydrogen 3.290 N/A ALA 254.A N ASN 201.A O no hydrogen 2.964 N/A LEU 255.A N GLY 248.A O no hydrogen 2.868 N/A ILE 256.A N MET 203.A O no hydrogen 2.995 N/A VAL 257.A N SER 245.A O no hydrogen 2.908 N/A TYR 258.A N MET 205.A O no hydrogen 2.809 N/A SER 259.A N VAL 243.A O no hydrogen 2.779 N/A TYR 262.A N LYS 270.A O no hydrogen 2.876 N/A ASP 264.A N THR 268.A O no hydrogen 2.986 N/A GLY 267.A N ASP 264.A O no hydrogen 2.548 N/A THR 268.A N ASP 264.A OD1 no hydrogen 2.843 N/A LYS 270.A N TYR 262.A O no hydrogen 2.835 N/A PHE 272.A N GLY 260.A O no hydrogen 3.087 N/A LEU 277.A N GLU 274.A O no hydrogen 3.034 N/A LEU 278.A N VAL 344.A O no hydrogen 2.982 N/A VAL 279.A N ILE 204.A O no hydrogen 2.704 N/A LEU 280.A N VAL 342.A O no hydrogen 2.786 N/A GLY 281.A N VAL 202.A O no hydrogen 3.082 N/A ASN 282.A ND2 PRO 199.A O no hydrogen 2.816 N/A THR 283.A N ASN 201.A OD1 no hydrogen 2.888 N/A ASN 284.A N ASN 282.A OD1 no hydrogen 2.996 N/A ASN 285.A N ASN 282.A O no hydrogen 2.909 N/A ASN 285.A ND2 ASP 337.A O no hydrogen 2.817 N/A GLY 287.A N PHE 31.A O no hydrogen 2.863 N/A LEU 288.A N VAL 334.A O no hydrogen 2.822 N/A VAL 289.A N ASN 34.A O no hydrogen 2.846 N/A ALA 290.A N GLN 332.A O no hydrogen 2.767 N/A TYR 291.A N ALA 36.A O no hydrogen 2.747 N/A GLY 292.A N ALA 330.A O no hydrogen 2.908 N/A ALA 293.A N THR 40.A O no hydrogen 2.779 N/A ILE 294.A N THR 305.A O no hydrogen 2.699 N/A MET 295.A N TYR 82.A OH no hydrogen 2.924 N/A GLU 298.A N ASP 296.A OD2 no hydrogen 3.188 N/A ALA 299.A N ASP 296.A OD2 no hydrogen 3.329 N/A VAL 300.A N ASP 296.A O no hydrogen 2.680 N/A ARG 301.A N GLN 297.A O no hydrogen 2.580 N/A ARG 301.A NE GLU 298.A OE1 no hydrogen 2.951 N/A ARG 301.A NH2 GLU 298.A OE1 no hydrogen 3.187 N/A ARG 301.A NH2 GLU 298.A OE2 no hydrogen 2.952 N/A THR 302.A N GLU 298.A O no hydrogen 3.159 N/A THR 302.A OG1 GLU 298.A O no hydrogen 2.526 N/A THR 302.A OG1 ALA 299.A O no hydrogen 3.397 N/A GLY 303.A N VAL 300.A O no hydrogen 3.262 N/A ALA 304.A N ALA 299.A O no hydrogen 2.833 N/A GLN 306.A NE2 THR 37.A O no hydrogen 2.696 N/A ASN 307.A ND2 ALA 304.A O no hydrogen 2.714 N/A TYR 310.A N HIS 328.A O no hydrogen 2.934 N/A LYS 312.A N GLN 326.A O no hydrogen 2.683 N/A LYS 312.A NZ ASP 296.A OD2 no hydrogen 2.886 N/A ASN 313.A ND2 GLU 323.A OE2 no hydrogen 3.337 N/A TRP 314.A N TYR 324.A O no hydrogen 2.989 N/A GLU 316.A N ILE 322.A O no hydrogen 2.818 N/A TYR 324.A N TRP 314.A O no hydrogen 2.798 N/A VAL 325.A N HIS 87.A O no hydrogen 3.031 N/A GLN 326.A N LYS 312.A O no hydrogen 2.872 N/A GLN 326.A NE2 LYS 84.A O no hydrogen 3.068 N/A THR 327.A N PRO 85.A O no hydrogen 3.166 N/A THR 327.A OG1 GLN 124.A OE1 no hydrogen 2.562 N/A HIS 328.A N TYR 310.A O no hydrogen 2.850 N/A SER 329.A N MET 83.A O no hydrogen 2.900 N/A SER 329.A OG MET 308.A O no hydrogen 2.662 N/A GLN 332.A N ALA 290.A O no hydrogen 2.736 N/A GLN 332.A NE2 PRO 333.A O no hydrogen 3.058 N/A VAL 334.A N LEU 288.A O no hydrogen 2.722 N/A ASP 337.A N ASN 285.A OD1 no hydrogen 2.995 N/A ARG 339.A N ASP 337.A OD1 no hydrogen 3.082 N/A ARG 339.A NE ASP 337.A OD1 no hydrogen 2.917 N/A ARG 339.A NH2 ASP 337.A OD2 no hydrogen 3.116 N/A LYS 340.A N ASP 337.A O no hydrogen 3.270 N/A PHE 341.A N ILE 338.A O no hydrogen 3.397 N/A VAL 342.A N LEU 280.A O no hydrogen 2.998 N/A THR 343.A N ASN 165.A O no hydrogen 2.893 N/A VAL 344.A N LEU 278.A O no hydrogen 2.863 N/A LYS 345.A N ILE 167.A O no hydrogen 2.950 N/A LYS 345.A NZ ASP 276.A OD2 no hydrogen 2.779 N/A ILE 346.A N ASP 276.A O no hydrogen 2.840 N/A