Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qwr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N ILE 292.A O no hydrogen 2.855 N/A PHE 6.A N ASN 52.A OD1 no hydrogen 2.721 N/A LEU 7.A N HIS 290.A O no hydrogen 2.935 N/A THR 8.A N THR 49.A O no hydrogen 2.892 N/A VAL 10.A N TRP 38.A O no hydrogen 3.197 N/A LYS 12.A N GLU 36.A O no hydrogen 2.875 N/A LYS 12.A NZ LYS 45.A O no hydrogen 2.776 N/A LYS 14.A N SER 33.A O no hydrogen 2.982 N/A GLY 17.A N LYS 14.A O no hydrogen 2.876 N/A GLY 18.A N THR 34.A O no hydrogen 3.204 N/A THR 19.A OG1 ASP 23.A OD2 no hydrogen 2.764 N/A ALA 20.A N ASP 87.A OD2 no hydrogen 2.843 N/A ARG 22.A N THR 19.A O no hydrogen 2.867 N/A ARG 22.A NH1 GLU 32.A OE2 no hydrogen 3.174 N/A ARG 22.A NH2 GLU 32.A OE1 no hydrogen 2.738 N/A ASP 23.A N THR 19.A O no hydrogen 2.893 N/A ARG 24.A N ALA 20.A O no hydrogen 2.783 N/A ARG 24.A NH1 ASP 121.A OD2 no hydrogen 3.086 N/A ARG 24.A NH2 ASP 121.A OD2 no hydrogen 2.674 N/A PHE 25.A N LEU 21.A O no hydrogen 3.306 N/A GLY 26.A N ARG 22.A O no hydrogen 2.867 N/A TYR 27.A N LEU 21.A O no hydrogen 3.279 N/A TYR 27.A OH GLY 288.A O no hydrogen 2.693 N/A TYR 27.A OH HIS 290.A NE2 no hydrogen 2.923 N/A SER 31.A N THR 34.A OG1 no hydrogen 3.381 N/A SER 33.A N SER 31.A OG no hydrogen 2.875 N/A THR 34.A N GLY 18.A O no hydrogen 2.832 N/A THR 34.A OG1 SER 31.A O no hydrogen 2.867 N/A GLY 35.A N LYS 12.A O no hydrogen 3.135 N/A GLU 36.A N LYS 12.A O no hydrogen 3.190 N/A CYS 37.A N LEU 85.A O no hydrogen 2.844 N/A TRP 38.A N VAL 10.A O no hydrogen 2.825 N/A TRP 38.A NE1 GLU 36.A OE1 no hydrogen 2.737 N/A ALA 39.A N THR 83.A O no hydrogen 2.846 N/A ILE 40.A N THR 83.A O no hydrogen 3.161 N/A SER 41.A N SER 48.A OG no hydrogen 2.706 N/A SER 41.A OG GLY 46.A O no hydrogen 2.738 N/A HIS 43.A N SER 41.A OG no hydrogen 3.113 N/A HIS 43.A NE2 GLU 110.A OE1 no hydrogen 2.762 N/A LYS 45.A N HIS 43.A ND1 no hydrogen 3.114 N/A LYS 45.A NZ ASP 187.A OD2 no hydrogen 2.963 N/A GLY 46.A N HIS 43.A O no hydrogen 2.951 N/A SER 48.A N SER 41.A O no hydrogen 2.788 N/A SER 48.A OG ALA 39.A O no hydrogen 3.442 N/A SER 48.A OG SER 41.A O no hydrogen 3.288 N/A VAL 50.A N LYS 58.A O no hydrogen 2.775 N/A ALA 51.A N PHE 6.A O no hydrogen 2.758 N/A ASN 52.A ND2 PRO 4.A O no hydrogen 3.193 N/A LYS 56.A N GLY 53.A O no hydrogen 3.025 N/A GLY 57.A N VAL 50.A O no hydrogen 2.895 N/A LYS 58.A N TYR 55.A O no hydrogen 2.937 N/A LYS 58.A NZ GLU 62.A OE1.A no hydrogen 2.786 N/A LEU 60.A N SER 48.A O no hydrogen 2.996 N/A GLU 62.A N.A THR 59.A OG1 no hydrogen 3.086 N/A GLU 62.A N.B THR 59.A OG1 no hydrogen 3.078 N/A LEU 63.A N THR 59.A O no hydrogen 3.108 N/A TRP 64.A N LEU 60.A O no hydrogen 2.925 N/A TRP 64.A NE1 GLY 76.A O no hydrogen 3.069 N/A GLU 65.A N ILE 61.A O no hydrogen 2.897 N/A GLU 66.A N.A GLU 62.A O.A no hydrogen 2.828 N/A GLU 66.A N.A GLU 62.A O.B no hydrogen 2.784 N/A GLU 66.A N.B GLU 62.A O.A no hydrogen 2.841 N/A GLU 66.A N.B GLU 62.A O.B no hydrogen 2.797 N/A HIS 67.A N LEU 63.A O no hydrogen 2.801 N/A ARG 68.A NE TRP 64.A O no hydrogen 2.721 N/A ARG 68.A NH1 VAL 74.A O no hydrogen 2.735 N/A VAL 70.A N HIS 67.A O no hydrogen 2.929 N/A PHE 71.A N ARG 68.A O no hydrogen 2.846 N/A GLY 72.A N GLU 69.A O.A no hydrogen 3.015 N/A GLY 72.A N GLU 69.A O.B no hydrogen 3.080 N/A GLY 73.A N ARG 68.A O no hydrogen 2.988 N/A VAL 74.A N PHE 71.A O no hydrogen 3.479 N/A ARG 78.A NH1.B GLY 109.A O no hydrogen 2.674 N/A ARG 78.A NH2.B GLY 109.A O no hydrogen 2.879 N/A LEU 82.A N GLN 183.A O no hydrogen 2.755 N/A THR 83.A N ILE 40.A O no hydrogen 2.949 N/A LYS 84.A N GLU 181.A O no hydrogen 2.888 N/A LYS 84.A NZ GLU 36.A OE1 no hydrogen 2.859 N/A LEU 85.A N CYS 37.A O no hydrogen 2.925 N/A LEU 86.A N VAL 179.A O no hydrogen 2.756 N/A ASP 87.A N GLY 35.A O no hydrogen 2.876 N/A VAL 88.A N ALA 177.A O no hydrogen 2.981 N/A LYS 89.A N TRP 16.A O no hydrogen 3.102 N/A GLU 90.A N TRP 16.A O no hydrogen 3.076 N/A THR 92.A N LEU 173.A O no hydrogen 3.053 N/A THR 92.A OG1 SER 93.A O no hydrogen 3.460 N/A THR 92.A OG1 LEU 173.A O no hydrogen 3.005 N/A ILE 94.A N TYR 193.A O no hydrogen 2.795 N/A LYS 95.A N HIS 171.A O no hydrogen 2.838 N/A LYS 95.A NZ THR 92.A OG1 no hydrogen 2.783 N/A LYS 95.A NZ SER 93.A O no hydrogen 2.966 N/A VAL 96.A N TYR 190.A O no hydrogen 3.009 N/A HIS 97.A ND1 ALA 188.A O no hydrogen 2.796 N/A TYR 102.A N ASP 99.A OD1 no hydrogen 2.841 N/A ALA 103.A N ASP 99.A O no hydrogen 2.934 N/A GLY 104.A N ASP 100.A O no hydrogen 2.913 N/A GLU 105.A N TYR 101.A O no hydrogen 2.911 N/A ASN 106.A N TYR 102.A O no hydrogen 2.823 N/A ASN 106.A ND2 TYR 102.A O no hydrogen 2.909 N/A GLU 107.A N ALA 103.A O no hydrogen 2.619 N/A GLY 109.A N GLY 104.A O no hydrogen 3.084 N/A GLU 110.A N GLU 107.A O no hydrogen 3.202 N/A GLY 112.A N ASP 100.A OD1 no hydrogen 2.740 N/A LYS 113.A N PRO 98.A O no hydrogen 2.964 N/A LYS 113.A NZ GLU 115.A OE1 no hydrogen 3.221 N/A GLU 115.A N VAL 165.A O no hydrogen 3.092 N/A CYS 116.A N THR 182.A O no hydrogen 2.901 N/A CYS 116.A SG THR 182.A O no hydrogen 3.722 N/A TRP 117.A N TYR 163.A O no hydrogen 2.762 N/A TRP 117.A NE1 GLU 181.A OE2 no hydrogen 2.869 N/A TYR 118.A N LEU 180.A O no hydrogen 3.010 N/A ILE 119.A N ASP 161.A O no hydrogen 2.873 N/A ILE 120.A N LEU 178.A O no hydrogen 2.899 N/A ASP 121.A N LEU 178.A O no hydrogen 3.298 N/A CYS 122.A N ASP 121.A OD1 no hydrogen 2.779 N/A CYS 122.A SG LYS 123.A O no hydrogen 3.678 N/A CYS 122.A SG ILE 157.A O no hydrogen 3.752 N/A LYS 123.A N GLY 176.A O no hydrogen 2.894 N/A ALA 126.A N LYS 123.A O no hydrogen 3.046 N/A ILE 128.A N ILE 155.A O no hydrogen 3.011 N/A ILE 129.A N ALA 172.A O no hydrogen 2.841 N/A TYR 130.A N ARG 153.A O no hydrogen 2.892 N/A TYR 130.A OH TYR 164.A O no hydrogen 2.680 N/A GLY 131.A N LEU 170.A O no hydrogen 2.881 N/A THR 133.A N LEU 151.A O no hydrogen 2.804 N/A THR 133.A OG1 GLY 150.A O no hydrogen 2.740 N/A THR 133.A OG1 LEU 151.A O no hydrogen 3.352 N/A ARG 135.A N GLU 139.A OE2 no hydrogen 2.883 N/A ARG 135.A NE GLU 139.A OE1 no hydrogen 3.433 N/A ARG 135.A NE GLU 139.A OE2 no hydrogen 3.492 N/A ARG 135.A NH2 GLU 139.A OE1 no hydrogen 3.512 N/A LYS 137.A NZ VAL 213.A O no hydrogen 2.734 N/A LYS 137.A NZ ALA 216.A O no hydrogen 2.852 N/A GLU 139.A N SER 136.A OG no hydrogen 3.198 N/A LEU 140.A N SER 136.A O no hydrogen 2.947 N/A VAL 141.A N LYS 137.A O no hydrogen 3.015 N/A THR 142.A N THR 138.A O no hydrogen 2.907 N/A THR 142.A OG1 THR 138.A O no hydrogen 2.853 N/A ASN 144.A N VAL 141.A O no hydrogen 2.948 N/A SER 145.A N THR 142.A O no hydrogen 3.118 N/A SER 145.A OG THR 142.A O no hydrogen 3.432 N/A GLY 146.A N ILE 143.A O no hydrogen 2.987 N/A GLY 150.A N ASP 147.A OD2 no hydrogen 2.809 N/A LEU 151.A N ASP 147.A O no hydrogen 3.039 N/A LEU 152.A N TRP 148.A O no hydrogen 3.046 N/A ARG 153.A N GLY 131.A O no hydrogen 3.155 N/A ILE 155.A N ILE 128.A O no hydrogen 2.982 N/A LYS 156.A NZ GLU 124.A O no hydrogen 2.367 N/A LYS 156.A NZ ALA 126.A O no hydrogen 2.704 N/A LYS 156.A NZ ILE 157.A O no hydrogen 3.105 N/A ILE 157.A N ALA 126.A O no hydrogen 3.119 N/A LYS 158.A N ASP 161.A OD2 no hydrogen 3.015 N/A GLY 160.A N ILE 119.A O no hydrogen 2.745 N/A ASP 161.A N LYS 158.A O no hydrogen 3.165 N/A TYR 163.A N TRP 117.A O no hydrogen 2.853 N/A TYR 163.A OH ASP 161.A OD2 no hydrogen 2.751 N/A VAL 165.A N GLU 115.A O no hydrogen 2.728 N/A SER 167.A N THR 114.A OG1 no hydrogen 3.124 N/A GLY 168.A N HIS 97.A O no hydrogen 2.829 N/A THR 169.A N PRO 166.A O no hydrogen 3.156 N/A THR 169.A OG1 PRO 166.A O no hydrogen 2.660 N/A HIS 171.A N LYS 95.A O no hydrogen 2.791 N/A HIS 171.A ND1 THR 169.A O no hydrogen 2.740 N/A ALA 172.A N ILE 129.A O no hydrogen 3.005 N/A LEU 173.A N THR 92.A OG1 no hydrogen 3.187 N/A CYS 174.A SG ALA 172.A O no hydrogen 3.969 N/A LYS 175.A N.A ASP 91.A OD1 no hydrogen 2.883 N/A LYS 175.A N.B ASP 91.A OD1 no hydrogen 2.876 N/A LYS 175.A NZ.B GLU 90.A OE1 no hydrogen 2.562 N/A GLY 176.A N VAL 88.A O no hydrogen 2.788 N/A ALA 177.A N VAL 88.A O no hydrogen 3.163 N/A LEU 178.A N ASP 121.A O no hydrogen 2.814 N/A VAL 179.A N LEU 86.A O no hydrogen 3.020 N/A LEU 180.A N TYR 118.A O no hydrogen 3.021 N/A GLU 181.A N LYS 84.A O no hydrogen 2.813 N/A THR 182.A N CYS 116.A O no hydrogen 3.084 N/A GLN 183.A N LEU 82.A O no hydrogen 2.806 N/A GLN 184.A N THR 114.A O no hydrogen 3.186 N/A ASN 185.A N PRO 80.A O no hydrogen 2.885 N/A ASN 185.A ND2 PHE 79.A O no hydrogen 2.810 N/A SER 186.A OG LEU 111.A O no hydrogen 2.794 N/A ASP 187.A N GLU 110.A OE1 no hydrogen 2.774 N/A ALA 188.A N SER 186.A OG no hydrogen 3.072 N/A TYR 190.A N VAL 96.A O no hydrogen 3.023 N/A TYR 190.A OH GLU 107.A OE2 no hydrogen 2.652 N/A ARG 191.A NH1 GLU 206.A O no hydrogen 2.838 N/A VAL 192.A N ILE 94.A O no hydrogen 2.866 N/A ARG 197.A N ASP 194.A O no hydrogen 3.253 N/A ARG 197.A NE ASP 194.A O no hydrogen 3.202 N/A ARG 197.A NH1 ASP 91.A O no hydrogen 2.849 N/A ARG 197.A NH2 ASP 91.A O no hydrogen 2.784 N/A ARG 197.A NH2 ASP 194.A OD1 no hydrogen 2.804 N/A ASP 199.A N SER 203.A O no hydrogen 2.998 N/A ASN 201.A N ASP 199.A OD1 no hydrogen 3.145 N/A GLY 202.A N ASP 199.A O no hydrogen 2.756 N/A SER 203.A N ASP 199.A OD1 no hydrogen 2.771 N/A SER 203.A OG ASN 201.A O no hydrogen 3.556 N/A ARG 205.A NE ASP 194.A OD2 no hydrogen 2.751 N/A ARG 205.A NH2 ASP 194.A OD1 no hydrogen 2.842 N/A ARG 205.A NH2 ASP 194.A OD2 no hydrogen 3.434 N/A HIS 208.A N ARG 191.A O no hydrogen 2.783 N/A LYS 211.A NZ ASN 106.A O no hydrogen 3.495 N/A LYS 211.A NZ GLU 107.A OE2 no hydrogen 2.594 N/A ALA 212.A N HIS 208.A O no hydrogen 2.912 N/A VAL 213.A N PHE 209.A O no hydrogen 2.982 N/A ASN 214.A N ALA 210.A O no hydrogen 2.877 N/A ASN 214.A ND2 ALA 210.A O no hydrogen 2.903 N/A ALA 215.A N LYS 211.A O no hydrogen 2.837 N/A ALA 216.A N ALA 212.A O no hydrogen 2.856 N/A THR 217.A N GLY 168.A O no hydrogen 2.940 N/A THR 217.A OG1 GLY 168.A O no hydrogen 3.415 N/A HIS 220.A NE2 ASP 222.A OD1 no hydrogen 2.658 N/A SER 228.A N THR 239.A O no hydrogen 3.160 N/A GLU 230.A N ILE 237.A O no hydrogen 2.930 N/A SER 231.A OG THR 236.A OG1 no hydrogen 2.564 N/A ARG 232.A N.A ILE 235.A O no hydrogen 2.898 N/A ARG 232.A N.B ILE 235.A O no hydrogen 2.876 N/A ARG 232.A NE.A GLU 258.A O no hydrogen 2.787 N/A ARG 232.A NE.B GLU 230.A OE2 no hydrogen 2.823 N/A ARG 232.A NH2.A GLU 258.A O no hydrogen 2.769 N/A ARG 232.A NH2.B GLU 230.A OE2 no hydrogen 2.608 N/A LYS 233.A NZ GLU 258.A OE2 no hydrogen 2.891 N/A ILE 235.A N ARG 232.A O.A no hydrogen 3.193 N/A ILE 235.A N ARG 232.A O.B no hydrogen 3.061 N/A THR 236.A N ASP 252.A O.A no hydrogen 2.991 N/A THR 236.A N ASP 252.A O.B no hydrogen 2.963 N/A THR 236.A OG1 SER 231.A OG no hydrogen 2.564 N/A ILE 237.A N GLU 230.A O no hydrogen 2.744 N/A LYS 238.A N LYS 250.A O no hydrogen 2.908 N/A THR 239.A N SER 228.A O no hydrogen 2.748 N/A PHE 240.A N VAL 248.A O no hydrogen 2.884 N/A GLN 242.A NE2 TYR 249.A OH no hydrogen 3.369 N/A GLY 243.A N PHE 246.A O no hydrogen 2.798 N/A SER 247.A N HIS 311.A O no hydrogen 3.001 N/A VAL 248.A N VAL 241.A O no hydrogen 2.976 N/A TYR 249.A N VAL 309.A O no hydrogen 2.781 N/A TYR 249.A OH HIS 311.A NE2 no hydrogen 2.941 N/A LYS 250.A N LYS 238.A O no hydrogen 2.781 N/A LYS 250.A NZ TYR 118.A OH no hydrogen 3.053 N/A TRP 251.A N LEU 307.A O no hydrogen 2.857 N/A ASP 252.A N.A THR 236.A O no hydrogen 2.932 N/A ASP 252.A N.B THR 236.A O no hydrogen 2.911 N/A ILE 253.A N CYS 305.A O no hydrogen 2.857 N/A ASN 254.A N GLY 234.A O no hydrogen 2.930 N/A ASN 254.A ND2 ASP 252.A OD1.B no hydrogen 3.275 N/A GLY 255.A N GLY 303.A O no hydrogen 3.088 N/A ALA 257.A N ILE 301.A O no hydrogen 2.946 N/A GLN 260.A NE2 GLU 262.A O no hydrogen 2.910 N/A GLN 260.A NE2 PRO 294.A O no hydrogen 2.959 N/A GLU 262.A N GLN 260.A OE1 no hydrogen 2.824 N/A LEU 265.A N LEU 293.A O no hydrogen 2.876 N/A ILE 266.A N SER 310.A O no hydrogen 2.821 N/A CYS 267.A N PHE 291.A O no hydrogen 2.745 N/A SER 268.A N ILE 308.A O no hydrogen 2.957 N/A SER 268.A OG HIS 290.A ND1 no hydrogen 2.837 N/A VAL 269.A N ASP 289.A O no hydrogen 2.939 N/A ILE 270.A N THR 306.A O no hydrogen 2.837 N/A GLU 271.A N.A THR 306.A O no hydrogen 3.350 N/A GLU 271.A N.B THR 306.A O no hydrogen 3.370 N/A GLY 272.A N GLU 271.A OE1.B no hydrogen 2.835 N/A SER 273.A N THR 304.A O no hydrogen 3.246 N/A GLY 274.A N LEU 285.A O no hydrogen 2.965 N/A LEU 275.A N LYS 302.A O no hydrogen 2.826 N/A LEU 276.A N CYS 283.A O.A no hydrogen 2.826 N/A LEU 276.A N CYS 283.A O.B no hydrogen 2.808 N/A LYS 277.A N THR 300.A O no hydrogen 2.831 N/A TYR 278.A N LYS 281.A O no hydrogen 3.163 N/A LYS 281.A N TYR 278.A O no hydrogen 2.776 N/A LYS 281.A NZ TYR 278.A OH no hydrogen 2.729 N/A CYS 283.A N.A LEU 276.A O no hydrogen 2.701 N/A CYS 283.A N.B LEU 276.A O no hydrogen 2.727 N/A CYS 283.A SG.B PRO 284.A O no hydrogen 3.850 N/A LEU 285.A N GLY 274.A O no hydrogen 2.669 N/A LYS 286.A N ASP 289.A OD2 no hydrogen 2.854 N/A LYS 286.A NZ ASP 289.A OD1 no hydrogen 2.570 N/A LYS 287.A N GLY 272.A O no hydrogen 2.936 N/A LYS 287.A NZ ARG 24.A O no hydrogen 2.867 N/A GLY 288.A N VAL 269.A O no hydrogen 2.900 N/A ASP 289.A N LYS 286.A O no hydrogen 2.944 N/A HIS 290.A ND1 SER 268.A OG no hydrogen 2.837 N/A HIS 290.A NE2 TYR 27.A OH no hydrogen 2.923 N/A PHE 291.A N CYS 267.A O no hydrogen 2.817 N/A ILE 292.A N ILE 5.A O no hydrogen 2.849 N/A LEU 293.A N LEU 265.A O no hydrogen 2.838 N/A ALA 295.A N VAL 70.A O no hydrogen 2.923 N/A THR 300.A N LYS 277.A O no hydrogen 2.897 N/A THR 300.A OG1 GLU 256.A OE1 no hydrogen 3.339 N/A ILE 301.A N ALA 257.A O no hydrogen 3.052 N/A LYS 302.A N LEU 275.A O no hydrogen 2.837 N/A GLY 303.A N GLY 255.A O no hydrogen 2.749 N/A CYS 305.A N ILE 253.A O no hydrogen 3.092 N/A THR 306.A N GLU 271.A O.A no hydrogen 3.053 N/A THR 306.A N GLU 271.A O.B no hydrogen 3.061 N/A THR 306.A OG1 ASP 252.A OD1.A no hydrogen 3.232 N/A LEU 307.A N TRP 251.A O no hydrogen 2.935 N/A ILE 308.A N SER 268.A O no hydrogen 2.900 N/A VAL 309.A N TYR 249.A O no hydrogen 2.926 N/A SER 310.A N ILE 266.A O no hydrogen 2.832 N/A HIS 311.A N SER 247.A O no hydrogen 3.168 N/A HIS 311.A ND1 ILE 312.A O no hydrogen 2.707 N/A HIS 311.A NE2 TYR 249.A OH no hydrogen 2.941 N/A