Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qqy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A NH1 GLU 57.A OE2 no hydrogen 2.534 N/A ILE 9.A N THR 62.A OG1 no hydrogen 3.061 N/A TRP 12.A N ASN 10.A OD1 no hydrogen 2.777 N/A ILE 13.A N ASN 10.A OD1 no hydrogen 3.303 N/A LEU 14.A N ASN 10.A O no hydrogen 2.852 N/A THR 15.A N PRO 11.A O no hydrogen 2.869 N/A THR 15.A OG1 PRO 11.A O no hydrogen 3.235 N/A THR 15.A OG1 HIS 92.A NE2 no hydrogen 2.783 N/A THR 15.A OG1 TYR 96.A O no hydrogen 2.790 N/A GLY 16.A N TRP 12.A O no hydrogen 2.933 N/A PHE 17.A N ILE 13.A O no hydrogen 2.814 N/A ALA 18.A N LEU 14.A O no hydrogen 2.883 N/A ASP 19.A N THR 15.A O no hydrogen 2.774 N/A ALA 20.A N GLY 16.A O no hydrogen 3.126 N/A ALA 20.A N PHE 17.A O no hydrogen 3.086 N/A GLU 21.A N PHE 17.A O no hydrogen 2.765 N/A SER 23.A N GLN 45.A O no hydrogen 2.860 N/A LEU 25.A N GLY 43.A O no hydrogen 2.946 N/A ARG 27.A N GLU 41.A O no hydrogen 2.905 N/A ARG 27.A NH1 GLU 41.A OE1 no hydrogen 3.385 N/A ARG 29.A N SER 39.A O no hydrogen 2.775 N/A ASN 31.A N GLY 37.A O no hydrogen 2.664 N/A ASN 31.A ND2 SER 39.A OG no hydrogen 3.087 N/A LYS 33.A N ASN 31.A OD1 no hydrogen 3.130 N/A SER 34.A N ASN 31.A O no hydrogen 3.002 N/A SER 34.A OG TYR 38.A O no hydrogen 3.448 N/A GLY 37.A N SER 34.A O no hydrogen 3.008 N/A SER 39.A N ARG 29.A O no hydrogen 2.973 N/A GLU 41.A N ARG 27.A O no hydrogen 3.247 N/A GLY 43.A N LEU 25.A O no hydrogen 2.874 N/A PHE 44.A N VAL 80.A O no hydrogen 2.932 N/A GLN 45.A N SER 23.A O no hydrogen 2.926 N/A ILE 46.A N LEU 78.A O no hydrogen 2.955 N/A LEU 48.A N VAL 76.A O no hydrogen 2.970 N/A ASN 50.A N ASN 74.A O no hydrogen 3.115 N/A ASN 50.A ND2 ASP 73.A O no hydrogen 2.862 N/A LYS 51.A NZ VAL 298.A O no hydrogen 3.425 N/A ASP 52.A N HIS 49.A O no hydrogen 2.963 N/A LYS 53.A N ASN 50.A O no hydrogen 3.106 N/A ILE 55.A N ASP 52.A O no hydrogen 3.217 N/A GLU 57.A N LYS 53.A O no hydrogen 3.087 N/A ASN 58.A N SER 54.A O no hydrogen 2.916 N/A ILE 59.A N ILE 55.A O no hydrogen 2.933 N/A GLN 60.A N LEU 56.A O no hydrogen 2.924 N/A GLN 60.A NE2 GLY 66.A O no hydrogen 2.880 N/A SER 61.A N GLU 57.A O no hydrogen 2.750 N/A SER 61.A OG ARG 6.A O no hydrogen 2.951 N/A THR 62.A N ASN 58.A O no hydrogen 2.891 N/A THR 62.A N ILE 59.A O no hydrogen 2.771 N/A THR 62.A OG1 ASN 58.A O no hydrogen 2.713 N/A TRP 63.A N ILE 59.A O no hydrogen 2.843 N/A LYS 64.A N GLN 60.A O no hydrogen 2.580 N/A LYS 64.A NZ SER 61.A O no hydrogen 2.702 N/A VAL 67.A N LYS 79.A O no hydrogen 2.719 N/A ALA 69.A N SER 77.A O no hydrogen 2.866 N/A SER 71.A N ALA 75.A O no hydrogen 2.812 N/A VAL 76.A N LEU 48.A O no hydrogen 2.739 N/A SER 77.A N ALA 69.A O no hydrogen 2.751 N/A LEU 78.A N ILE 46.A O no hydrogen 2.868 N/A LYS 79.A N VAL 67.A O no hydrogen 3.062 N/A LYS 79.A NZ GLN 45.A OE1 no hydrogen 3.124 N/A VAL 80.A N PHE 44.A O no hydrogen 2.874 N/A THR 81.A OG1 GLU 41.A OE2 no hydrogen 3.007 N/A LEU 86.A N ARG 82.A O no hydrogen 3.311 N/A LEU 86.A N PHE 83.A O no hydrogen 3.151 N/A LYS 87.A N GLU 84.A O no hydrogen 3.182 N/A LYS 87.A NZ GLU 84.A OE1 no hydrogen 3.002 N/A VAL 88.A N ASP 85.A O no hydrogen 2.879 N/A ILE 89.A N ASP 85.A O no hydrogen 3.476 N/A ILE 90.A N LEU 86.A O no hydrogen 2.756 N/A ASP 91.A N LYS 87.A O no hydrogen 2.802 N/A HIS 92.A N VAL 88.A O no hydrogen 2.829 N/A HIS 92.A NE2 THR 15.A OG1 no hydrogen 2.783 N/A PHE 93.A N ILE 89.A O no hydrogen 2.970 N/A GLU 94.A N ILE 90.A O no hydrogen 2.952 N/A LYS 95.A N HIS 92.A O no hydrogen 3.161 N/A TYR 96.A N HIS 92.A O no hydrogen 2.762 N/A ILE 99.A N ASP 19.A OD1 no hydrogen 2.845 N/A ILE 99.A N ASP 19.A OD2 no hydrogen 3.341 N/A THR 100.A N ASP 19.A OD2 no hydrogen 2.943 N/A THR 100.A OG1 ASP 19.A OD2 no hydrogen 2.522 N/A GLN 101.A N ASP 204.A OD2 no hydrogen 3.028 N/A GLN 101.A NE2 ILE 157.A O no hydrogen 2.843 N/A GLN 101.A NE2 ASP 204.A OD1 no hydrogen 3.069 N/A LYS 102.A N THR 100.A OG1 no hydrogen 3.259 N/A LYS 102.A NZ ALA 18.A O no hydrogen 2.771 N/A LYS 102.A NZ GLY 22.A O no hydrogen 2.623 N/A LEU 103.A N THR 100.A O no hydrogen 2.984 N/A GLY 104.A N GLN 101.A O no hydrogen 3.004 N/A TYR 106.A N LYS 102.A O no hydrogen 2.989 N/A TYR 106.A OH ILE 90.A O no hydrogen 3.211 N/A TYR 106.A OH GLU 94.A OE2 no hydrogen 2.859 N/A MET 107.A N LEU 103.A O no hydrogen 2.966 N/A LEU 108.A N GLY 104.A O no hydrogen 3.176 N/A PHE 109.A N ASP 105.A O no hydrogen 3.049 N/A LYS 110.A N TYR 106.A O no hydrogen 2.980 N/A LYS 110.A NZ GLU 94.A OE2 no hydrogen 2.650 N/A GLN 111.A N MET 107.A O no hydrogen 3.096 N/A ALA 112.A N LEU 108.A O no hydrogen 2.921 N/A PHE 113.A N PHE 109.A O no hydrogen 2.822 N/A CYS 114.A N LYS 110.A O no hydrogen 2.879 N/A CYS 114.A SG LYS 110.A O no hydrogen 3.351 N/A VAL 115.A N GLN 111.A O no hydrogen 3.275 N/A MET 116.A N ALA 112.A O no hydrogen 3.059 N/A GLU 117.A N PHE 113.A O no hydrogen 2.787 N/A ASN 118.A N CYS 114.A O no hydrogen 3.161 N/A LYS 119.A N MET 116.A O no hydrogen 2.887 N/A GLU 120.A N VAL 115.A O no hydrogen 2.981 N/A LEU 122.A N LYS 119.A O no hydrogen 3.158 N/A LYS 123.A N GLU 120.A O no hydrogen 2.986 N/A GLY 126.A N LYS 123.A O no hydrogen 3.037 N/A ILE 127.A N LYS 123.A O no hydrogen 3.235 N/A LYS 128.A N ILE 124.A O no hydrogen 3.075 N/A GLU 129.A N ASN 125.A O no hydrogen 3.172 N/A LEU 130.A N GLY 126.A O no hydrogen 2.995 N/A VAL 131.A N ILE 127.A O no hydrogen 2.960 N/A ARG 132.A N LYS 128.A O no hydrogen 3.037 N/A ARG 132.A NE GLU 129.A OE1 no hydrogen 3.113 N/A ARG 132.A NH2 GLU 129.A OE1 no hydrogen 2.561 N/A ILE 133.A N GLU 129.A O no hydrogen 2.980 N/A LYS 134.A N LEU 130.A O no hydrogen 2.735 N/A LYS 134.A NZ LEU 26.A O no hydrogen 2.688 N/A ALA 135.A N VAL 131.A O no hydrogen 2.800 N/A LYS 136.A N ILE 133.A O no hydrogen 3.029 N/A LYS 136.A NZ SER 154.A OG no hydrogen 3.146 N/A LEU 137.A N LYS 134.A O no hydrogen 2.978 N/A GLY 140.A N LEU 137.A O no hydrogen 2.794 N/A LEU 145.A N THR 142.A OG1 no hydrogen 3.076 N/A LYS 146.A N THR 142.A O no hydrogen 2.913 N/A LYS 146.A NZ PRO 150.A O no hydrogen 3.486 N/A LYS 147.A N ASP 143.A O no hydrogen 3.083 N/A LYS 147.A NZ ASP 143.A OD2 no hydrogen 3.520 N/A ALA 148.A N GLU 144.A O no hydrogen 3.206 N/A PHE 149.A N LEU 145.A O no hydrogen 2.919 N/A ILE 157.A N GLN 101.A OE1 no hydrogen 2.722 N/A LYS 159.A NZ LEU 98.A O no hydrogen 2.693 N/A TRP 166.A NE1 ASP 19.A OD1 no hydrogen 2.831 N/A LEU 167.A N ASN 163.A O no hydrogen 3.400 N/A ALA 168.A N PHE 164.A O no hydrogen 2.808 N/A GLY 169.A N LYS 165.A O no hydrogen 3.099 N/A PHE 170.A N TRP 166.A O no hydrogen 2.918 N/A THR 171.A N LEU 167.A O no hydrogen 2.864 N/A THR 171.A OG1 LEU 167.A O no hydrogen 2.699 N/A SER 172.A N ALA 168.A O no hydrogen 3.053 N/A SER 172.A OG ALA 168.A O no hydrogen 2.793 N/A GLY 173.A N PHE 170.A O no hydrogen 3.021 N/A GLU 174.A N PHE 170.A O no hydrogen 2.917 N/A GLY 175.A N THR 171.A O no hydrogen 2.812 N/A CYS 176.A N SER 197.A O no hydrogen 2.884 N/A PHE 178.A N VAL 195.A O no hydrogen 2.881 N/A ASN 180.A N GLN 193.A O no hydrogen 2.757 N/A ILE 182.A N GLN 191.A O no hydrogen 2.767 N/A SER 184.A N GLY 189.A O no hydrogen 2.987 N/A SER 184.A OG SER 186.A OG no hydrogen 2.811 N/A SER 186.A N SER 184.A OG no hydrogen 2.950 N/A SER 186.A OG SER 184.A OG no hydrogen 2.811 N/A GLY 189.A N SER 186.A O no hydrogen 3.147 N/A GLN 191.A N ILE 182.A O no hydrogen 2.602 N/A GLN 193.A N ASN 180.A O no hydrogen 2.899 N/A VAL 195.A N PHE 178.A O no hydrogen 2.766 N/A PHE 196.A N VAL 235.A O no hydrogen 3.104 N/A SER 197.A N CYS 176.A O no hydrogen 3.151 N/A ILE 198.A N PHE 233.A O no hydrogen 2.864 N/A THR 199.A N GLU 174.A O no hydrogen 3.151 N/A THR 199.A OG1 ASP 232.A OD1 no hydrogen 2.479 N/A GLN 200.A N LEU 231.A O no hydrogen 2.878 N/A HIS 201.A N GLN 200.A OE1 no hydrogen 2.900 N/A ASP 204.A N HIS 201.A O no hydrogen 3.308 N/A LYS 205.A N ILE 202.A O no hydrogen 3.085 N/A MET 208.A N ASP 204.A O no hydrogen 3.011 N/A ASN 209.A N LYS 205.A O no hydrogen 2.893 N/A SER 210.A N ASN 206.A O no hydrogen 2.896 N/A SER 210.A OG LEU 207.A O no hydrogen 2.974 N/A LEU 211.A N MET 208.A O no hydrogen 2.983 N/A ILE 212.A N ASN 209.A O no hydrogen 3.075 N/A TYR 214.A N SER 210.A O no hydrogen 3.068 N/A LEU 215.A N LEU 211.A O no hydrogen 2.998 N/A GLY 216.A N ILE 212.A O no hydrogen 3.121 N/A CYS 217.A SG LEU 215.A O no hydrogen 3.923 N/A TYR 219.A N VAL 234.A O no hydrogen 2.901 N/A TYR 219.A OH THR 236.A OG1 no hydrogen 2.565 N/A LYS 221.A N ASP 232.A O no hydrogen 2.883 N/A LYS 223.A N TRP 230.A O no hydrogen 2.949 N/A LYS 225.A N PHE 228.A O no hydrogen 2.710 N/A SER 226.A OG LYS 225.A O no hydrogen 2.843 N/A GLU 227.A N SER 226.A OG no hydrogen 2.377 N/A PHE 228.A N LYS 225.A O no hydrogen 3.258 N/A TRP 230.A N LYS 223.A O no hydrogen 2.964 N/A LEU 231.A N GLN 200.A O no hydrogen 2.740 N/A ASP 232.A N LYS 221.A O no hydrogen 2.845 N/A PHE 233.A N ILE 198.A O no hydrogen 2.767 N/A VAL 234.A N TYR 219.A O no hydrogen 2.708 N/A VAL 235.A N PHE 196.A O no hydrogen 2.800 N/A THR 236.A OG1 TYR 219.A OH no hydrogen 2.565 N/A ASP 240.A N LYS 237.A O no hydrogen 3.024 N/A ILE 241.A N LYS 237.A O no hydrogen 3.254 N/A ASN 242.A N PHE 238.A O no hydrogen 3.053 N/A ASP 243.A N SER 239.A O no hydrogen 3.126 N/A LYS 244.A N ASP 240.A O no hydrogen 2.724 N/A LYS 244.A NZ GLY 216.A O no hydrogen 2.911 N/A LYS 244.A NZ ASP 240.A OD1 no hydrogen 2.661 N/A ILE 245.A N ASP 240.A O no hydrogen 3.035 N/A ILE 246.A N ILE 241.A O no hydrogen 2.745 N/A VAL 248.A N LYS 244.A O no hydrogen 3.430 N/A PHE 249.A N ILE 245.A O no hydrogen 3.335 N/A GLN 250.A N ILE 246.A O no hydrogen 2.936 N/A GLU 251.A N PRO 247.A O no hydrogen 3.061 N/A ASN 252.A N VAL 248.A O no hydrogen 2.926 N/A ASN 252.A ND2 VAL 248.A O no hydrogen 3.150 N/A ILE 255.A N SER 172.A OG no hydrogen 3.051 N/A VAL 257.A N ASP 52.A OD1 no hydrogen 3.069 N/A LEU 259.A N GLY 256.A O no hydrogen 2.944 N/A GLU 260.A N VAL 257.A O no hydrogen 2.934 N/A ASP 261.A N VAL 257.A O no hydrogen 3.202 N/A PHE 262.A N LYS 258.A O no hydrogen 2.782 N/A GLU 263.A N LEU 259.A O no hydrogen 3.045 N/A ASP 264.A N GLU 260.A O no hydrogen 3.101 N/A TRP 265.A N ASP 261.A O no hydrogen 3.032 N/A TRP 265.A NE1 PHE 178.A O no hydrogen 2.916 N/A CYS 266.A N PHE 262.A O no hydrogen 2.922 N/A CYS 266.A SG PHE 262.A O no hydrogen 3.287 N/A LYS 267.A N GLU 263.A O no hydrogen 3.094 N/A LYS 267.A NZ ASP 264.A OD2 no hydrogen 3.217 N/A VAL 268.A N ASP 264.A O no hydrogen 3.355 N/A ALA 269.A N TRP 265.A O no hydrogen 2.937 N/A LYS 270.A N CYS 266.A O no hydrogen 2.833 N/A LEU 271.A N LYS 267.A O no hydrogen 3.279 N/A ILE 272.A N VAL 268.A O no hydrogen 2.848 N/A GLU 273.A N ALA 269.A O no hydrogen 2.862 N/A GLU 274.A N LYS 270.A O no hydrogen 2.983 N/A LYS 275.A N ILE 272.A O no hydrogen 2.841 N/A LYS 276.A N LEU 271.A O no hydrogen 2.831 N/A LYS 276.A NZ GLU 274.A OE1 no hydrogen 3.141 N/A LEU 278.A N LYS 275.A O no hydrogen 3.268 N/A THR 279.A N LYS 276.A O no hydrogen 3.311 N/A THR 279.A OG1 LYS 276.A O no hydrogen 2.909 N/A GLY 282.A N THR 279.A OG1 no hydrogen 3.287 N/A LEU 283.A N THR 279.A O no hydrogen 3.008 N/A ASP 284.A N GLU 280.A O no hydrogen 3.046 N/A GLU 285.A N SER 281.A O no hydrogen 3.222 N/A ILE 286.A N GLY 282.A O no hydrogen 3.163 N/A LYS 287.A N LEU 283.A O no hydrogen 2.919 N/A LYS 288.A N ASP 284.A O no hydrogen 3.077 N/A ILE 289.A N GLU 285.A O no hydrogen 2.703 N/A LYS 290.A N ILE 286.A O no hydrogen 2.798 N/A LYS 290.A NZ VAL 179.A O no hydrogen 2.799 N/A LEU 291.A N LYS 287.A O no hydrogen 2.947 N/A ASN 292.A N LYS 288.A O no hydrogen 3.331 N/A ASN 292.A N ILE 289.A O no hydrogen 3.178 N/A MET 293.A N LYS 290.A O no hydrogen 2.902 N/A ASN 294.A N ASP 261.A OD1 no hydrogen 2.690 N/A ASN 294.A ND2 PHE 177.A O no hydrogen 3.076 N/A GLY 296.A N MET 293.A O no hydrogen 2.837 N/A ARG 297.A N ASN 294.A O no hydrogen 3.081 N/A ARG 297.A NE ASP 261.A OD1 no hydrogen 2.992 N/A ARG 297.A NH1 PHE 299.A O no hydrogen 3.087 N/A ARG 297.A NH2 ASP 261.A OD1 no hydrogen 2.919 N/A ARG 297.A NH2 ASP 264.A OD1 no hydrogen 2.729 N/A