Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qhw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N HIS 2.A ND1 no hydrogen 2.724 N/A ASN 5.A N HIS 2.A O no hydrogen 2.729 N/A PHE 6.A N MET 3.A O no hydrogen 3.272 N/A GLN 7.A N ARG 24.A O no hydrogen 2.734 N/A GLN 7.A NE2 LYS 8.A O no hydrogen 3.617 N/A VAL 9.A N LYS 22.A O no hydrogen 2.718 N/A GLU 10.A N LYS 22.A O no hydrogen 3.261 N/A ILE 12.A N VAL 20.A O no hydrogen 2.969 N/A GLY 15.A N GLY 18.A O no hydrogen 3.154 N/A VAL 19.A N LYS 36.A O no hydrogen 3.441 N/A VAL 20.A N GLY 13.A O no hydrogen 3.056 N/A TYR 21.A N LEU 34.A O no hydrogen 2.726 N/A LYS 22.A N GLU 10.A O no hydrogen 2.685 N/A ALA 23.A N VAL 32.A O no hydrogen 2.925 N/A ARG 24.A N GLN 7.A O no hydrogen 2.769 N/A ASN 25.A N GLU 30.A O no hydrogen 2.852 N/A LYS 26.A N ASN 5.A O no hydrogen 2.687 N/A LEU 27.A N ASN 25.A OD1 no hydrogen 2.962 N/A THR 28.A N ASN 25.A OD1 no hydrogen 3.175 N/A GLY 29.A N ASN 25.A O no hydrogen 2.916 N/A GLU 30.A N THR 28.A OG1 no hydrogen 3.270 N/A VAL 32.A N ALA 23.A O no hydrogen 2.712 N/A ALA 33.A N PHE 82.A O no hydrogen 2.973 N/A LEU 34.A N TYR 21.A O no hydrogen 2.661 N/A LYS 35.A N LEU 80.A O no hydrogen 2.927 N/A LYS 35.A NZ GLU 53.A OE1 no hydrogen 3.563 N/A LYS 35.A NZ GLU 53.A OE2 no hydrogen 2.935 N/A LYS 36.A N VAL 19.A O no hydrogen 2.706 N/A ILE 37.A N LEU 78.A O no hydrogen 2.670 N/A ARG 38.A NH1 TYR 17.A O no hydrogen 3.094 N/A ARG 38.A NH2 TYR 17.A O no hydrogen 2.606 N/A LEU 39.A N ASN 76.A O no hydrogen 3.129 N/A GLU 42.A N LEU 39.A O no hydrogen 2.566 N/A ILE 51.A N PRO 47.A O no hydrogen 3.087 N/A ARG 52.A N SER 48.A O no hydrogen 2.972 N/A GLU 53.A N THR 49.A O no hydrogen 2.958 N/A ILE 54.A N ALA 50.A O no hydrogen 2.865 N/A SER 55.A N ILE 51.A O no hydrogen 3.080 N/A SER 55.A OG ILE 51.A O no hydrogen 2.762 N/A SER 55.A OG ARG 52.A O no hydrogen 3.235 N/A LEU 56.A N ARG 52.A O no hydrogen 2.889 N/A LEU 57.A N GLU 53.A O no hydrogen 2.886 N/A LYS 58.A N ILE 54.A O no hydrogen 2.970 N/A GLU 59.A N LEU 56.A O no hydrogen 2.979 N/A LEU 60.A N LEU 57.A O no hydrogen 3.060 N/A ASN 64.A N HIS 62.A ND1 no hydrogen 2.986 N/A ASN 64.A ND2 GLN 112.A OE1 no hydrogen 3.021 N/A ASN 64.A ND2 ILE 143.A O no hydrogen 2.904 N/A ILE 65.A N HIS 62.A O no hydrogen 3.159 N/A VAL 66.A N LEU 145.A O no hydrogen 2.911 N/A LYS 67.A N GLU 83.A OE2 no hydrogen 2.907 N/A LYS 67.A NZ ASN 61.A OD1 no hydrogen 2.661 N/A LEU 69.A N VAL 81.A O no hydrogen 2.618 N/A ASP 70.A N VAL 81.A O no hydrogen 3.292 N/A VAL 71.A N ASP 70.A OD1 no hydrogen 2.923 N/A ILE 72.A N TYR 79.A O no hydrogen 2.803 N/A THR 74.A N LYS 77.A O no hydrogen 2.733 N/A THR 74.A OG1 LYS 77.A O no hydrogen 3.073 N/A LYS 77.A N THR 74.A OG1 no hydrogen 2.824 N/A LEU 78.A N ILE 37.A O no hydrogen 2.923 N/A TYR 79.A N ILE 72.A O no hydrogen 2.785 N/A LEU 80.A N LYS 35.A O no hydrogen 2.944 N/A VAL 81.A N ASP 70.A O no hydrogen 2.879 N/A PHE 82.A N ALA 33.A O no hydrogen 2.887 N/A GLU 83.A N LYS 67.A O no hydrogen 3.062 N/A GLN 87.A N ILE 137.A O no hydrogen 3.379 N/A LEU 89.A N PRO 132.A O no hydrogen 3.226 N/A LEU 89.A N LEU 135.A O no hydrogen 2.849 N/A LYS 91.A N ASP 88.A OD1 no hydrogen 2.766 N/A LYS 91.A NZ ASP 88.A OD2 no hydrogen 3.314 N/A PHE 92.A N ASP 88.A O no hydrogen 3.221 N/A MET 93.A N LEU 89.A O no hydrogen 2.837 N/A ASP 94.A N LYS 90.A O no hydrogen 2.930 N/A ALA 95.A N LYS 91.A O no hydrogen 2.987 N/A SER 96.A N PHE 92.A O no hydrogen 2.827 N/A SER 96.A N MET 93.A O no hydrogen 2.937 N/A SER 96.A OG PHE 92.A O no hydrogen 2.983 N/A ALA 97.A N ASP 94.A O no hydrogen 3.303 N/A THR 99.A OG1 SER 96.A O no hydrogen 3.518 N/A THR 99.A OG1 GLY 100.A O no hydrogen 3.436 N/A GLY 100.A N SER 96.A O no hydrogen 2.547 N/A ILE 106.A N PRO 102.A O no hydrogen 3.074 N/A LYS 107.A N LEU 103.A O no hydrogen 2.990 N/A LYS 107.A NZ PHE 286.A O no hydrogen 2.799 N/A LYS 107.A NZ ASP 289.A OD1 no hydrogen 2.854 N/A LYS 107.A NZ ASP 289.A OD2 no hydrogen 2.971 N/A SER 108.A N PRO 104.A O no hydrogen 3.026 N/A SER 108.A OG THR 291.A O no hydrogen 3.335 N/A TYR 109.A N LEU 105.A O no hydrogen 2.905 N/A LEU 110.A N ILE 106.A O no hydrogen 2.989 N/A PHE 111.A N LYS 107.A O no hydrogen 2.985 N/A GLN 112.A N SER 108.A O no hydrogen 2.986 N/A GLN 112.A NE2 SER 108.A O no hydrogen 3.414 N/A GLN 112.A NE2 SER 108.A OG no hydrogen 2.993 N/A GLN 112.A NE2 GLY 141.A O no hydrogen 2.973 N/A LEU 113.A N TYR 109.A O no hydrogen 2.880 N/A LEU 114.A N LEU 110.A O no hydrogen 2.888 N/A GLN 115.A N PHE 111.A O no hydrogen 3.034 N/A GLY 116.A N GLN 112.A O no hydrogen 2.981 N/A LEU 117.A N LEU 113.A O no hydrogen 2.889 N/A ALA 118.A N LEU 114.A O no hydrogen 2.833 N/A PHE 119.A N GLN 115.A O no hydrogen 3.166 N/A CYS 120.A N GLY 116.A O no hydrogen 3.061 N/A CYS 120.A SG GLY 116.A O no hydrogen 3.523 N/A HIS 121.A N LEU 117.A O no hydrogen 2.917 N/A HIS 121.A NE2 ASP 186.A OD2 no hydrogen 2.854 N/A SER 122.A N ALA 118.A O no hydrogen 2.958 N/A SER 122.A OG ALA 118.A O no hydrogen 3.257 N/A HIS 123.A N PHE 119.A O no hydrogen 3.051 N/A HIS 123.A N CYS 120.A O no hydrogen 2.979 N/A HIS 123.A ND1 PHE 119.A O no hydrogen 2.835 N/A ARG 124.A N HIS 121.A O no hydrogen 3.029 N/A ARG 124.A NH1 GLU 59.A OE1 no hydrogen 2.898 N/A ARG 124.A NH1 HIS 123.A O no hydrogen 2.926 N/A ARG 124.A NH2 GLU 59.A OE1 no hydrogen 3.009 N/A VAL 125.A N CYS 120.A O no hydrogen 2.906 N/A LEU 126.A N ARG 152.A O no hydrogen 2.903 N/A HIS 127.A N ASP 186.A OD2 no hydrogen 3.039 N/A HIS 127.A NE2 ALA 146.A O no hydrogen 2.708 N/A ARG 128.A N ASP 186.A OD1 no hydrogen 2.910 N/A ARG 128.A NE LEU 150.A O no hydrogen 2.704 N/A ARG 128.A NH2 LEU 150.A O no hydrogen 2.863 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 2.947 N/A LYS 131.A NZ THR 166.A OG1 no hydrogen 2.749 N/A ASN 134.A N LYS 131.A O no hydrogen 3.067 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.780 N/A ASN 134.A ND2 ASP 129.A OD2 no hydrogen 3.073 N/A LEU 135.A N PRO 132.A O no hydrogen 3.014 N/A LEU 136.A N LYS 144.A O no hydrogen 2.902 N/A ILE 137.A N GLN 87.A O no hydrogen 2.861 N/A ASN 138.A N ALA 142.A O no hydrogen 3.053 N/A GLU 140.A N ASN 138.A OD1 no hydrogen 2.933 N/A ALA 142.A N ASN 138.A OD1 no hydrogen 2.826 N/A ILE 143.A N GLN 112.A OE1 no hydrogen 3.134 N/A LYS 144.A N LEU 136.A O no hydrogen 2.680 N/A LYS 144.A NZ GLU 83.A OE1 no hydrogen 3.315 N/A LYS 144.A NZ GLU 83.A OE2 no hydrogen 2.862 N/A LEU 145.A N ASN 64.A O no hydrogen 2.710 N/A ALA 146.A N ASN 134.A O no hydrogen 2.899 N/A GLY 149.A N ASP 147.A OD1 no hydrogen 3.230 N/A ALA 151.A N PHE 148.A O no hydrogen 3.005 N/A ARG 152.A N LEU 126.A O no hydrogen 3.036 N/A PHE 154.A N ARG 124.A O no hydrogen 2.888 N/A GLY 155.A N TYR 161.A OH no hydrogen 3.118 N/A ARG 159.A N TYR 161.A OH no hydrogen 3.130 N/A THR 160.A OG1 LYS 179.A O no hydrogen 2.798 N/A HIS 162.A NE2 ILE 174.A O no hydrogen 3.147 N/A THR 166.A OG1 ASP 129.A OD1 no hydrogen 3.209 N/A TRP 168.A NE1 GLY 206.A O no hydrogen 2.930 N/A TYR 169.A N THR 166.A O no hydrogen 2.914 N/A TYR 169.A OH GLU 196.A OE1 no hydrogen 2.680 N/A TYR 169.A OH GLU 196.A OE2 no hydrogen 3.391 N/A ARG 170.A N LEU 167.A O no hydrogen 3.075 N/A ARG 170.A NE VAL 165.A O no hydrogen 2.959 N/A ARG 170.A NH2 VAL 165.A O no hydrogen 2.756 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.642 N/A ILE 174.A N ALA 171.A O no hydrogen 3.113 N/A LEU 175.A N ALA 171.A O no hydrogen 3.166 N/A LEU 176.A N PRO 172.A O no hydrogen 2.859 N/A GLY 177.A N ILE 174.A O no hydrogen 2.980 N/A CYS 178.A N GLU 173.A O no hydrogen 2.943 N/A CYS 178.A SG TYR 180.A O no hydrogen 3.120 N/A VAL 185.A N SER 182.A O no hydrogen 3.013 N/A ASP 186.A N THR 183.A O no hydrogen 2.997 N/A ILE 187.A N THR 183.A O no hydrogen 3.485 N/A TRP 188.A N ALA 184.A O no hydrogen 3.037 N/A SER 189.A N VAL 185.A O no hydrogen 3.254 N/A SER 189.A OG TYR 169.A O no hydrogen 2.990 N/A SER 189.A OG VAL 185.A O no hydrogen 3.362 N/A LEU 190.A N ASP 186.A O no hydrogen 3.000 N/A GLY 191.A N ILE 187.A O no hydrogen 2.893 N/A CYS 192.A N TRP 188.A O no hydrogen 2.972 N/A CYS 192.A SG TRP 168.A O no hydrogen 4.016 N/A CYS 192.A SG TRP 188.A O no hydrogen 3.505 N/A ILE 193.A N SER 189.A O no hydrogen 2.991 N/A PHE 194.A N LEU 190.A O no hydrogen 2.813 N/A ALA 195.A N GLY 191.A O no hydrogen 3.051 N/A GLU 196.A N CYS 192.A O no hydrogen 3.003 N/A MET 197.A N ILE 193.A O no hydrogen 2.919 N/A VAL 198.A N PHE 194.A O no hydrogen 3.158 N/A THR 199.A N ALA 195.A O no hydrogen 2.959 N/A THR 199.A OG1 ALA 195.A O no hydrogen 3.167 N/A ARG 200.A NH1 ALA 97.A O no hydrogen 3.500 N/A ARG 201.A N THR 199.A OG1 no hydrogen 3.389 N/A GLY 206.A N PHE 204.A O no hydrogen 2.866 N/A ASP 207.A N ASP 211.A OD2 no hydrogen 2.892 N/A ASP 211.A N SER 208.A OG no hydrogen 3.162 N/A GLN 212.A N SER 208.A O no hydrogen 2.811 N/A GLN 212.A NE2 TRP 168.A O no hydrogen 3.421 N/A GLN 212.A NE2 PHE 204.A O no hydrogen 2.883 N/A LEU 213.A N GLU 209.A O no hydrogen 2.955 N/A PHE 214.A N ILE 210.A O no hydrogen 2.898 N/A ARG 215.A N ASP 211.A O no hydrogen 2.928 N/A ARG 215.A NE ASP 211.A OD2 no hydrogen 3.150 N/A ILE 216.A N GLN 212.A O no hydrogen 3.105 N/A PHE 217.A N LEU 213.A O no hydrogen 2.916 N/A ARG 218.A N PHE 214.A O no hydrogen 2.762 N/A THR 219.A N ARG 215.A O no hydrogen 3.273 N/A THR 219.A N ILE 216.A O no hydrogen 3.168 N/A THR 219.A OG1 ARG 215.A O no hydrogen 3.081 N/A LEU 220.A N ILE 216.A O no hydrogen 2.794 N/A THR 222.A N TRP 244.A O no hydrogen 2.899 N/A THR 222.A OG1 PRO 242.A O no hydrogen 2.706 N/A VAL 227.A N ASP 224.A OD1 no hydrogen 2.984 N/A TRP 228.A N ASP 224.A O no hydrogen 2.845 N/A GLY 230.A N GLU 225.A OE1 no hydrogen 2.693 N/A VAL 231.A N TRP 228.A O no hydrogen 2.985 N/A THR 232.A N GLU 225.A OE2 no hydrogen 2.772 N/A THR 232.A OG1 GLU 225.A OE2 no hydrogen 2.460 N/A SER 233.A N GLY 230.A O no hydrogen 2.903 N/A MET 234.A N VAL 231.A O no hydrogen 3.182 N/A ASP 236.A N LEU 176.A O no hydrogen 2.923 N/A TYR 237.A N MET 234.A O no hydrogen 3.158 N/A PHE 241.A N LYS 238.A O no hydrogen 2.992 N/A LYS 243.A NZ PRO 239.A O no hydrogen 2.997 N/A LYS 243.A NZ PHE 241.A O no hydrogen 2.924 N/A TRP 244.A N THR 222.A OG1 no hydrogen 2.941 N/A ARG 246.A NH1 LEU 220.A O no hydrogen 3.154 N/A GLN 247.A N THR 219.A O no hydrogen 3.035 N/A SER 250.A N ASP 248.A OD2 no hydrogen 2.953 N/A SER 250.A OG ASP 248.A OD2 no hydrogen 3.039 N/A LYS 251.A N ASP 248.A O no hydrogen 2.727 N/A VAL 252.A N ASP 248.A O no hydrogen 3.341 N/A VAL 253.A N PHE 249.A O no hydrogen 2.754 N/A LEU 256.A N VAL 253.A O no hydrogen 2.973 N/A GLY 260.A N ASP 257.A OD1 no hydrogen 2.674 N/A ARG 261.A N ASP 257.A O no hydrogen 2.946 N/A SER 262.A N GLU 258.A O no hydrogen 2.957 N/A SER 262.A OG HIS 284.A NE2 no hydrogen 2.935 N/A LEU 263.A N ASP 259.A O no hydrogen 2.950 N/A LEU 264.A N GLY 260.A O no hydrogen 2.932 N/A SER 265.A N ARG 261.A O no hydrogen 2.901 N/A SER 265.A OG ARG 261.A O no hydrogen 3.335 N/A SER 265.A OG SER 262.A O no hydrogen 2.804 N/A GLN 266.A N SER 262.A O no hydrogen 3.145 N/A GLN 266.A NE2 SER 262.A O no hydrogen 3.361 N/A GLN 266.A NE2 SER 262.A OG no hydrogen 3.083 N/A MET 267.A N LEU 263.A O no hydrogen 3.002 N/A LEU 268.A N LEU 264.A O no hydrogen 2.966 N/A LEU 268.A N SER 265.A O no hydrogen 3.268 N/A TYR 270.A OH GLY 221.A O no hydrogen 2.593 N/A ASN 273.A N ASP 271.A OD1 no hydrogen 2.961 N/A LYS 274.A N ASP 271.A O no hydrogen 2.888 N/A ARG 275.A N ASP 271.A O no hydrogen 2.971 N/A ARG 275.A NE HIS 269.A O no hydrogen 2.795 N/A ARG 275.A NH1 GLU 173.A OE1 no hydrogen 3.465 N/A ARG 275.A NH1 GLU 173.A OE2 no hydrogen 2.839 N/A ARG 275.A NH1 ALA 184.A O no hydrogen 2.876 N/A ARG 275.A NH2 GLU 173.A OE1 no hydrogen 2.839 N/A ARG 275.A NH2 HIS 269.A O no hydrogen 3.217 N/A ARG 275.A NH2 TYR 270.A O no hydrogen 3.031 N/A ILE 276.A N GLN 266.A O no hydrogen 3.080 N/A ALA 280.A N SER 277.A OG no hydrogen 2.975 N/A ALA 281.A N SER 277.A O no hydrogen 2.849 N/A LEU 282.A N ALA 278.A O no hydrogen 3.129 N/A ALA 283.A N ALA 280.A O no hydrogen 3.004 N/A HIS 284.A N ALA 281.A O no hydrogen 2.966 N/A HIS 284.A NE2 SER 262.A OG no hydrogen 2.935 N/A PHE 286.A N HIS 284.A ND1 no hydrogen 3.019 N/A PHE 287.A N HIS 284.A O no hydrogen 2.997 N/A GLN 288.A N PRO 285.A O no hydrogen 3.026 N/A VAL 290.A N PHE 287.A O no hydrogen 3.110 N/A