Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w0q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG THR 2.A O no hydrogen 2.286 N/A PHE 7.A N SER 3.A O no hydrogen 3.101 N/A LEU 8.A N VAL 4.A O no hydrogen 3.094 N/A ILE 9.A N GLU 5.A O no hydrogen 2.667 N/A GLU 10.A N LYS 6.A O no hydrogen 3.026 N/A LYS 11.A N LEU 8.A O no hydrogen 2.758 N/A SER 14.A N PHE 12.A O no hydrogen 2.454 N/A SER 16.A N ASP 33.A O no hydrogen 2.854 N/A MET 19.A N SER 31.A O no hydrogen 2.917 N/A LEU 21.A N ALA 29.A O no hydrogen 2.729 N/A SER 22.A N ALA 29.A O no hydrogen 3.255 N/A GLY 24.A N SER 27.A O no hydrogen 2.753 N/A SER 27.A N GLY 24.A O no hydrogen 3.489 N/A ARG 28.A N VAL 43.A O no hydrogen 2.943 N/A ALA 29.A N SER 22.A O no hydrogen 3.117 N/A PHE 30.A N LEU 41.A O no hydrogen 2.715 N/A SER 31.A N MET 19.A O no hydrogen 2.791 N/A PHE 32.A N TYR 39.A O no hydrogen 3.070 N/A ASP 33.A N SER 16.A O no hydrogen 2.816 N/A VAL 34.A N ARG 37.A O no hydrogen 3.184 N/A ARG 37.A N VAL 34.A O no hydrogen 3.222 N/A TYR 39.A N PHE 32.A O no hydrogen 2.834 N/A VAL 40.A N SER 85.A O no hydrogen 2.783 N/A LEU 41.A N PHE 30.A O no hydrogen 2.752 N/A ARG 42.A N CYS 83.A O no hydrogen 2.906 N/A ARG 42.A NH1 ASP 53.A OD2 no hydrogen 2.973 N/A ARG 42.A NH2 ASP 53.A OD2 no hydrogen 2.816 N/A VAL 43.A N ARG 28.A O no hydrogen 2.891 N/A ASN 44.A N THR 81.A O no hydrogen 2.920 N/A SER 45.A N GLU 26.A O no hydrogen 3.022 N/A SER 45.A OG GLU 26.A OE1 no hydrogen 2.312 N/A TYR 51.A N ALA 47.A O no hydrogen 3.191 N/A LYS 52.A N ASP 48.A O no hydrogen 3.336 N/A LYS 52.A NZ PHE 129.A O no hydrogen 3.119 N/A LYS 52.A NZ SER 211.A O no hydrogen 2.875 N/A LYS 52.A NZ ALA 213.A O no hydrogen 2.821 N/A ASP 53.A N GLY 49.A O no hydrogen 2.901 N/A ARG 54.A N PHE 50.A O no hydrogen 2.990 N/A TYR 55.A N TYR 51.A O no hydrogen 2.857 N/A VAL 56.A N LYS 52.A O no hydrogen 2.848 N/A TYR 57.A N ASP 53.A O no hydrogen 3.144 N/A ARG 58.A N ARG 54.A O no hydrogen 3.027 N/A HIS 59.A N TYR 55.A O no hydrogen 3.004 N/A HIS 59.A ND1 TYR 55.A O no hydrogen 2.997 N/A PHE 60.A N VAL 56.A O no hydrogen 2.776 N/A ALA 61.A N TYR 57.A O no hydrogen 3.416 N/A SER 62.A N LEU 65.A O no hydrogen 2.927 N/A LEU 65.A N SER 62.A O no hydrogen 3.205 N/A LEU 65.A N SER 62.A OG no hydrogen 3.038 N/A LEU 71.A N ILE 84.A O no hydrogen 2.752 N/A ASP 72.A N ILE 84.A O no hydrogen 3.441 N/A GLY 74.A N TYR 82.A O no hydrogen 3.192 N/A PHE 76.A N LEU 80.A O no hydrogen 2.752 N/A SER 77.A N LEU 80.A O no hydrogen 3.119 N/A SER 79.A N SER 77.A OG no hydrogen 3.405 N/A LEU 80.A N SER 77.A O no hydrogen 3.340 N/A THR 81.A N ASN 44.A O no hydrogen 2.870 N/A TYR 82.A N GLY 74.A O no hydrogen 2.870 N/A TYR 82.A OH ASP 72.A OD1 no hydrogen 2.550 N/A CYS 83.A N ARG 42.A O no hydrogen 2.823 N/A ILE 84.A N ASP 72.A O no hydrogen 2.810 N/A SER 85.A N VAL 40.A O no hydrogen 3.016 N/A ARG 86.A N GLU 69.A O no hydrogen 2.917 N/A ARG 86.A NE GLU 69.A OE1 no hydrogen 2.799 N/A ARG 86.A NH1 TYR 39.A OH no hydrogen 3.033 N/A ARG 87.A N GLY 38.A O no hydrogen 2.954 N/A ARG 87.A NH1 PHE 32.A O no hydrogen 3.083 N/A ARG 87.A NH1 ASP 33.A OD1 no hydrogen 2.990 N/A ARG 87.A NH1 TYR 39.A O no hydrogen 3.308 N/A ARG 87.A NH2 ASP 33.A OD1 no hydrogen 3.076 N/A VAL 91.A N THR 199.A O no hydrogen 2.991 N/A THR 92.A OG1 ASP 95.A OD2 no hydrogen 2.754 N/A LEU 93.A N VAL 197.A O no hydrogen 2.922 N/A GLN 94.A N THR 92.A OG1 no hydrogen 3.227 N/A ASP 95.A N THR 92.A O no hydrogen 2.934 N/A LEU 96.A N THR 92.A O no hydrogen 2.969 N/A GLU 100.A N PRO 97.A O no hydrogen 2.846 N/A LEU 101.A N GLU 98.A O no hydrogen 3.169 N/A VAL 104.A N LEU 101.A O no hydrogen 2.858 N/A LEU 105.A N PRO 102.A O no hydrogen 3.266 N/A VAL 108.A N VAL 104.A O no hydrogen 2.835 N/A ALA 109.A N LEU 105.A O no hydrogen 2.869 N/A GLU 110.A N GLN 106.A O no hydrogen 2.847 N/A VAL 111.A N PRO 107.A O no hydrogen 3.011 N/A MET 112.A N VAL 108.A O no hydrogen 2.839 N/A ASP 113.A N ALA 109.A O no hydrogen 2.922 N/A ALA 114.A N GLU 110.A O no hydrogen 2.899 N/A ILE 115.A N VAL 111.A O no hydrogen 2.876 N/A ALA 116.A N MET 112.A O no hydrogen 3.100 N/A ALA 117.A N ASP 113.A O no hydrogen 2.934 N/A ALA 118.A N ILE 115.A O no hydrogen 3.104 N/A SER 121.A N ASP 119.A OD2 no hydrogen 2.940 N/A SER 121.A OG ASP 119.A OD2 no hydrogen 2.669 N/A THR 123.A N LEU 120.A O no hydrogen 2.905 N/A THR 123.A OG1 LEU 120.A O no hydrogen 2.715 N/A SER 124.A N GLY 133.A O no hydrogen 3.280 N/A PHE 126.A N TYR 137.A O no hydrogen 2.854 N/A GLY 127.A N PHE 215.A O no hydrogen 2.845 N/A PHE 129.A N ALA 213.A O no hydrogen 3.396 N/A GLY 130.A N ILE 134.A O no hydrogen 3.243 N/A GLY 133.A N GLY 130.A O no hydrogen 2.964 N/A GLY 135.A N SER 124.A O no hydrogen 2.735 N/A GLN 136.A N PRO 128.A O no hydrogen 2.881 N/A TYR 137.A N PHE 126.A O no hydrogen 2.912 N/A TRP 140.A N GLU 183.A OE2 no hydrogen 2.751 N/A TRP 140.A NE1 TYR 258.A OH no hydrogen 2.832 N/A ARG 141.A N GLU 183.A OE1 no hydrogen 3.096 N/A ASP 142.A N THR 139.A OG1 no hydrogen 2.875 N/A PHE 143.A N THR 139.A O no hydrogen 3.231 N/A ILE 144.A N TRP 140.A O no hydrogen 2.878 N/A CYS 145.A N ARG 141.A O no hydrogen 2.845 N/A CYS 145.A SG ARG 141.A O no hydrogen 3.438 N/A ALA 146.A N PHE 143.A O no hydrogen 3.262 N/A ALA 148.A N CYS 145.A O no hydrogen 3.013 N/A ASP 149.A N ALA 146.A O no hydrogen 2.994 N/A HIS 151.A N ASP 149.A OD2 no hydrogen 2.915 N/A VAL 152.A N ASP 149.A O no hydrogen 2.826 N/A TYR 153.A N ASP 149.A O no hydrogen 2.821 N/A TYR 153.A OH ASP 265.A OD1 no hydrogen 2.677 N/A HIS 154.A N TYR 268.A OH no hydrogen 3.055 N/A HIS 154.A ND1 PRO 150.A O no hydrogen 2.661 N/A TRP 155.A N TYR 153.A O no hydrogen 3.043 N/A TRP 155.A NE1 ILE 147.A O no hydrogen 2.881 N/A THR 157.A N HIS 154.A O no hydrogen 3.174 N/A THR 157.A OG1 HIS 154.A O no hydrogen 2.794 N/A VAL 158.A N TRP 155.A O no hydrogen 2.907 N/A MET 159.A N TRP 155.A O no hydrogen 2.975 N/A THR 162.A OG1 ASP 160.A OD1 no hydrogen 2.848 N/A VAL 163.A N ASP 160.A O no hydrogen 3.325 N/A SER 164.A N ASP 160.A O no hydrogen 2.816 N/A SER 166.A OG GLN 283.A OE1 no hydrogen 3.002 N/A SER 166.A OG ASP 287.A OD1 no hydrogen 2.717 N/A SER 166.A OG ASP 287.A OD2 no hydrogen 3.258 N/A VAL 167.A N VAL 163.A O no hydrogen 3.072 N/A ALA 168.A N SER 164.A O no hydrogen 2.907 N/A GLN 169.A N ALA 165.A O no hydrogen 2.910 N/A ALA 170.A N SER 166.A O no hydrogen 3.036 N/A LEU 171.A N VAL 167.A O no hydrogen 2.815 N/A ASP 172.A N ALA 168.A O no hydrogen 2.880 N/A GLU 173.A N GLN 169.A O no hydrogen 3.315 N/A LEU 174.A N ALA 170.A O no hydrogen 2.951 N/A MET 175.A N LEU 171.A O no hydrogen 2.746 N/A LEU 176.A N ASP 172.A O no hydrogen 3.135 N/A TRP 177.A N GLU 173.A O no hydrogen 2.925 N/A ALA 178.A N LEU 174.A O no hydrogen 2.841 N/A GLU 179.A N LEU 176.A O no hydrogen 3.451 N/A ASP 180.A N TRP 177.A O no hydrogen 3.096 N/A CYS 181.A N ALA 178.A O no hydrogen 3.013 N/A CYS 181.A SG PRO 182.A O no hydrogen 3.565 N/A ARG 185.A NH1 LEU 120.A O no hydrogen 3.398 N/A ARG 185.A NH1 THR 123.A O no hydrogen 3.360 N/A ARG 185.A NH1 THR 123.A OG1 no hydrogen 3.190 N/A ARG 185.A NH2 THR 123.A OG1 no hydrogen 3.041 N/A ARG 185.A NH2 GLY 125.A O no hydrogen 3.058 N/A HIS 186.A N GLY 216.A O no hydrogen 2.771 N/A HIS 186.A ND1 ALA 116.A O no hydrogen 2.776 N/A VAL 188.A N MET 214.A O no hydrogen 2.815 N/A HIS 189.A N GLU 221.A OE1 no hydrogen 2.726 N/A HIS 189.A NE2 ILE 208.A O no hydrogen 2.769 N/A ALA 190.A N GLU 221.A OE2 no hydrogen 2.785 N/A ASP 191.A N HIS 189.A ND1 no hydrogen 2.921 N/A SER 194.A OG ASN 195.A OD1 no hydrogen 2.991 N/A ASN 195.A ND2 ASP 191.A OD2 no hydrogen 3.342 N/A ASN 195.A ND2 ASP 209.A OD1 no hydrogen 3.007 N/A VAL 197.A N SER 194.A O no hydrogen 3.364 N/A LEU 198.A N ALA 206.A O no hydrogen 2.899 N/A THR 199.A N VAL 91.A O no hydrogen 2.821 N/A THR 199.A OG1 ARG 203.A O no hydrogen 2.812 N/A ASP 200.A N ARG 203.A O no hydrogen 2.900 N/A ARG 203.A N ASP 200.A O no hydrogen 2.954 N/A THR 205.A N LEU 198.A O no hydrogen 2.894 N/A THR 205.A OG1 GLN 89.A O no hydrogen 2.637 N/A VAL 207.A N PRO 66.A O no hydrogen 2.743 N/A ILE 208.A N ALA 196.A O no hydrogen 2.789 N/A TRP 210.A N ASP 53.A OD1 no hydrogen 2.952 N/A TRP 210.A NE1 VAL 207.A O no hydrogen 2.911 N/A SER 211.A OG GLU 212.A OE1 no hydrogen 2.333 N/A ALA 213.A N TRP 210.A O no hydrogen 3.033 N/A MET 214.A N VAL 188.A O no hydrogen 2.777 N/A PHE 215.A N GLY 127.A O no hydrogen 3.012 N/A GLY 216.A N HIS 186.A O no hydrogen 2.779 N/A LEU 219.A N ASP 217.A OD1 no hydrogen 3.045 N/A TYR 220.A N ASP 217.A O no hydrogen 2.806 N/A GLU 221.A N PRO 218.A O no hydrogen 3.031 N/A ALA 223.A N LEU 219.A O no hydrogen 2.904 N/A ASN 224.A N TYR 220.A O no hydrogen 3.346 N/A ASN 224.A N GLU 221.A O no hydrogen 3.061 N/A PHE 226.A N VAL 222.A O no hydrogen 3.043 N/A PHE 227.A N ALA 223.A O no hydrogen 2.826 N/A TRP 228.A N ASN 224.A O no hydrogen 3.013 N/A ARG 229.A N PHE 226.A O no hydrogen 3.288 N/A ARG 229.A NE GLU 236.A OE1 no hydrogen 2.785 N/A ARG 229.A NH1 GLU 236.A OE1 no hydrogen 3.522 N/A ARG 229.A NH1 GLU 236.A OE2 no hydrogen 2.988 N/A ARG 229.A NH1 GLU 243.A OE2 no hydrogen 3.237 N/A ARG 229.A NH2 GLU 243.A OE1 no hydrogen 2.706 N/A TRP 231.A N TRP 228.A O no hydrogen 2.883 N/A CYS 234.A SG GLY 193.A O no hydrogen 3.456 N/A MET 235.A N LEU 232.A O no hydrogen 3.068 N/A GLU 236.A N LEU 232.A O no hydrogen 3.001 N/A GLN 237.A N ALA 233.A O no hydrogen 2.803 N/A GLN 238.A N CYS 234.A O no hydrogen 3.099 N/A ALA 239.A N MET 235.A O no hydrogen 2.856 N/A ARG 240.A N GLU 236.A O no hydrogen 2.939 N/A ARG 240.A NE GLU 236.A OE2 no hydrogen 2.603 N/A ARG 240.A NH1 GLU 236.A OE2 no hydrogen 3.089 N/A TYR 241.A N GLN 237.A O no hydrogen 2.995 N/A PHE 242.A N GLN 238.A O no hydrogen 2.925 N/A GLU 243.A N ALA 239.A O no hydrogen 2.783 N/A ARG 244.A N ARG 240.A O no hydrogen 2.985 N/A ARG 245.A N TYR 241.A O no hydrogen 3.279 N/A ARG 245.A NH2 TYR 241.A O no hydrogen 3.034 N/A HIS 246.A N PHE 242.A O no hydrogen 2.730 N/A ALA 250.A N HIS 246.A O no hydrogen 3.051 N/A GLY 251.A N GLU 248.A O no hydrogen 3.163 N/A SER 252.A OG LEU 249.A O no hydrogen 3.132 N/A ARG 254.A NH1 ASP 217.A OD2 no hydrogen 2.870 N/A ARG 256.A N SER 252.A O no hydrogen 3.017 N/A ARG 256.A NE GLU 173.A OE1 no hydrogen 3.530 N/A ALA 257.A N PRO 253.A O no hydrogen 2.842 N/A TYR 258.A N ARG 254.A O no hydrogen 2.924 N/A TYR 258.A OH ASP 217.A OD2 no hydrogen 2.524 N/A MET 259.A N LEU 255.A O no hydrogen 2.862 N/A LEU 260.A N ARG 256.A O no hydrogen 2.946 N/A ARG 261.A N ALA 257.A O no hydrogen 2.906 N/A ARG 261.A NE PHE 143.A O no hydrogen 3.318 N/A ARG 261.A NE ILE 144.A O no hydrogen 3.017 N/A ARG 261.A NH1 ARG 261.A O no hydrogen 3.327 N/A ARG 261.A NH2 PHE 143.A O no hydrogen 2.918 N/A ILE 262.A N TYR 258.A O no hydrogen 2.916 N/A GLY 263.A N MET 259.A O no hydrogen 2.777 N/A LEU 264.A N LEU 260.A O no hydrogen 2.786 N/A ASP 265.A N ARG 261.A O no hydrogen 3.314 N/A GLN 266.A N ILE 262.A O no hydrogen 2.898 N/A LEU 267.A N GLY 263.A O no hydrogen 2.736 N/A TYR 268.A N LEU 264.A O no hydrogen 2.793 N/A GLN 269.A N ASP 265.A O no hydrogen 2.901 N/A GLN 269.A NE2 ASP 273.A OD2 no hydrogen 2.885 N/A SER 270.A N GLN 266.A O no hydrogen 2.958 N/A SER 270.A OG GLN 266.A O no hydrogen 2.816 N/A LEU 271.A N LEU 267.A O no hydrogen 2.937 N/A VAL 272.A N TYR 268.A O no hydrogen 2.866 N/A ASP 273.A N GLN 269.A O no hydrogen 2.864 N/A GLY 274.A N LEU 271.A O no hydrogen 3.186 N/A ASN 275.A N SER 270.A O no hydrogen 2.813 N/A ALA 279.A N ASN 275.A O no hydrogen 2.955 N/A ALA 280.A N PHE 276.A O no hydrogen 2.972 N/A TRP 281.A N ASP 277.A O no hydrogen 3.014 N/A ALA 282.A N ASP 278.A O no hydrogen 2.903 N/A GLN 283.A N ALA 279.A O no hydrogen 2.849 N/A GLY 284.A N ALA 280.A O no hydrogen 3.021 N/A ARG 285.A N TRP 281.A O no hydrogen 2.895 N/A ARG 285.A NE PHE 227.A O no hydrogen 2.826 N/A ARG 285.A NH1 PHE 226.A O no hydrogen 2.861 N/A CYS 286.A N ALA 282.A O no hydrogen 2.880 N/A CYS 286.A SG ALA 282.A O no hydrogen 3.422 N/A ASP 287.A N GLN 283.A O no hydrogen 2.809 N/A ALA 288.A N GLY 284.A O no hydrogen 2.970 N/A ILE 289.A N ARG 285.A O no hydrogen 3.024 N/A VAL 290.A N CYS 286.A O no hydrogen 2.898 N/A ARG 291.A N ASP 287.A O no hydrogen 2.894 N/A SER 292.A N ALA 288.A O no hydrogen 3.013 N/A SER 292.A OG ILE 289.A O no hydrogen 2.585 N/A GLY 293.A N VAL 290.A O no hydrogen 3.020 N/A ALA 294.A N ARG 291.A O no hydrogen 3.088 N/A THR 296.A OG1 GLY 293.A O no hydrogen 2.730 N/A