Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hkr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLN 55.A O no hydrogen 2.938 N/A VAL 4.A N LYS 28.A O no hydrogen 2.798 N/A VAL 5.A N LYS 53.A O no hydrogen 2.784 N/A TYR 6.A N GLU 30.A O no hydrogen 3.115 N/A VAL 9.A N PHE 7.A O no hydrogen 2.787 N/A ARG 10.A N PRO 201.A O no hydrogen 2.909 N/A ARG 10.A NE TYR 197.A O no hydrogen 3.127 N/A ARG 10.A NE LEU 200.A O no hydrogen 3.045 N/A ARG 10.A NH2 TYR 197.A O no hydrogen 3.372 N/A ARG 10.A NH2 VAL 198.A O no hydrogen 3.160 N/A GLY 11.A N ILE 202.A O no hydrogen 2.830 N/A ARG 12.A N TYR 6.A OH no hydrogen 2.920 N/A ARG 12.A NH1 SER 64.A OG no hydrogen 3.252 N/A ARG 12.A NH1 GLU 96.A OE1 no hydrogen 2.831 N/A ARG 12.A NH1 GLU 96.A OE2 no hydrogen 3.342 N/A ARG 12.A NH2 GLU 96.A OE2 no hydrogen 3.115 N/A CYS 13.A N ARG 10.A O no hydrogen 3.031 N/A ALA 14.A N GLY 11.A O no hydrogen 3.478 N/A ARG 17.A N CYS 13.A O no hydrogen 2.916 N/A ARG 17.A NE GLU 29.A OE2 no hydrogen 2.722 N/A ARG 17.A NH1 VAL 9.A O no hydrogen 2.958 N/A ARG 17.A NH2 GLU 29.A OE1 no hydrogen 2.984 N/A MET 18.A N ALA 14.A O no hydrogen 2.939 N/A LEU 19.A N ALA 15.A O no hydrogen 2.857 N/A LEU 20.A N LEU 16.A O no hydrogen 3.003 N/A ALA 21.A N ARG 17.A O no hydrogen 2.863 N/A ASP 22.A N MET 18.A O no hydrogen 2.821 N/A GLN 23.A N LEU 19.A O no hydrogen 2.909 N/A GLN 23.A NE2 TYR 152.A OH no hydrogen 2.970 N/A GLY 24.A N ALA 21.A O no hydrogen 3.066 N/A GLN 25.A N LEU 20.A O no hydrogen 2.941 N/A GLN 25.A NE2 GLN 23.A O no hydrogen 3.618 N/A TRP 27.A NE1 GLU 29.A OE2 no hydrogen 2.820 N/A LYS 28.A N TYR 2.A O no hydrogen 2.884 N/A LYS 28.A NZ GLU 30.A OE2 no hydrogen 2.779 N/A GLU 30.A N VAL 4.A O no hydrogen 2.755 N/A VAL 32.A N TYR 6.A O no hydrogen 2.899 N/A THR 33.A OG1 THR 36.A OG1 no hydrogen 3.212 N/A THR 36.A N THR 33.A OG1 no hydrogen 3.148 N/A THR 36.A OG1 THR 33.A OG1 no hydrogen 3.212 N/A TRP 37.A N THR 33.A O no hydrogen 2.966 N/A GLN 38.A N VAL 34.A O no hydrogen 2.866 N/A GLU 39.A N GLU 35.A O no hydrogen 3.071 N/A GLY 40.A N TRP 37.A O no hydrogen 3.201 N/A SER 41.A N GLU 39.A OE2 no hydrogen 2.999 N/A LYS 43.A NZ GLY 49.A O no hydrogen 2.707 N/A ALA 44.A N GLY 40.A O no hydrogen 2.896 N/A SER 45.A N SER 41.A O no hydrogen 3.178 N/A SER 45.A N LEU 42.A O no hydrogen 2.984 N/A SER 45.A OG LEU 42.A O no hydrogen 2.690 N/A CYS 46.A N LYS 43.A O no hydrogen 2.973 N/A CYS 46.A SG LEU 42.A O no hydrogen 3.382 N/A CYS 46.A SG GLN 50.A O no hydrogen 3.611 N/A GLY 49.A N CYS 46.A O no hydrogen 2.993 N/A LYS 53.A N VAL 5.A O no hydrogen 3.061 N/A PHE 54.A N LEU 61.A O no hydrogen 2.859 N/A GLN 55.A N THR 3.A O no hydrogen 2.939 N/A ASP 56.A N LEU 59.A O no hydrogen 2.905 N/A GLY 57.A N PRO 1.A O no hydrogen 2.929 N/A LEU 59.A N ASP 56.A O no hydrogen 2.999 N/A LEU 61.A N PHE 54.A O no hydrogen 2.827 N/A ILE 67.A N GLN 63.A O no hydrogen 3.088 N/A LEU 68.A N SER 64.A O no hydrogen 2.924 N/A ARG 69.A N ASN 65.A O no hydrogen 2.979 N/A ARG 69.A NE TYR 78.A OH no hydrogen 3.244 N/A ARG 69.A NE ASP 89.A OD1 no hydrogen 2.823 N/A ARG 69.A NH2 ASP 89.A OD1 no hydrogen 3.135 N/A ARG 69.A NH2 ASP 93.A OD1 no hydrogen 3.120 N/A HIS 70.A N THR 66.A O no hydrogen 2.895 N/A HIS 70.A NE2 ASP 56.A OD2 no hydrogen 2.770 N/A LEU 71.A N ILE 67.A O no hydrogen 2.951 N/A GLY 72.A N LEU 68.A O no hydrogen 2.769 N/A ARG 73.A N ARG 69.A O no hydrogen 2.803 N/A THR 74.A N HIS 70.A O no hydrogen 2.913 N/A THR 74.A OG1 HIS 70.A O no hydrogen 3.184 N/A THR 74.A OG1 LEU 71.A O no hydrogen 3.462 N/A LEU 75.A N LEU 71.A O no hydrogen 2.847 N/A LEU 77.A N GLY 72.A O no hydrogen 2.731 N/A TYR 78.A OH ASP 89.A OD1 no hydrogen 2.548 N/A TYR 78.A OH ASP 89.A OD2 no hydrogen 3.337 N/A LYS 80.A N GLU 84.A OE1 no hydrogen 2.864 N/A LYS 80.A NZ ASP 81.A OD1 no hydrogen 2.851 N/A LYS 80.A NZ GLU 84.A OE2 no hydrogen 3.485 N/A GLU 84.A N ASP 81.A OD2 no hydrogen 2.928 N/A ALA 85.A N ASP 81.A O no hydrogen 2.963 N/A ALA 86.A N GLN 82.A O no hydrogen 3.044 N/A LEU 87.A N GLN 83.A O no hydrogen 3.145 N/A VAL 88.A N GLU 84.A O no hydrogen 2.810 N/A ASP 89.A N ALA 85.A O no hydrogen 2.987 N/A MET 90.A N ALA 86.A O no hydrogen 2.915 N/A VAL 91.A N LEU 87.A O no hydrogen 3.004 N/A ASN 92.A N VAL 88.A O no hydrogen 2.883 N/A ASP 93.A N ASP 89.A O no hydrogen 2.848 N/A GLY 94.A N MET 90.A O no hydrogen 3.212 N/A VAL 95.A N VAL 91.A O no hydrogen 2.917 N/A GLU 96.A N ASN 92.A O no hydrogen 2.814 N/A ASP 97.A N ASP 93.A O no hydrogen 2.999 N/A LEU 98.A N GLY 94.A O no hydrogen 3.181 N/A ARG 99.A N VAL 95.A O no hydrogen 2.805 N/A ARG 99.A NH1 ASP 156.A OD2 no hydrogen 3.016 N/A ARG 99.A NH2 ASN 153.A OD1 no hydrogen 2.844 N/A ARG 99.A NH2 ASP 156.A OD2 no hydrogen 2.902 N/A CYS 100.A N GLU 96.A O no hydrogen 2.845 N/A CYS 100.A SG GLU 96.A O no hydrogen 3.367 N/A CYS 100.A SG GLU 96.A OE2 no hydrogen 3.274 N/A LYS 101.A N ASP 97.A O no hydrogen 3.257 N/A TYR 102.A N LEU 98.A O no hydrogen 2.852 N/A TYR 102.A OH ASN 203.A OD1 no hydrogen 3.031 N/A ILE 103.A N ARG 99.A O no hydrogen 2.787 N/A SER 104.A N CYS 100.A O no hydrogen 2.937 N/A LEU 105.A N LYS 101.A O no hydrogen 3.019 N/A ILE 106.A N TYR 102.A O no hydrogen 2.969 N/A VAL 107.A N ILE 103.A O no hydrogen 2.918 N/A THR 108.A N SER 104.A O no hydrogen 2.911 N/A THR 108.A OG1 SER 104.A O no hydrogen 2.720 N/A ASN 109.A N LEU 105.A O no hydrogen 3.178 N/A TYR 110.A OH GLN 208.A O no hydrogen 2.733 N/A GLY 113.A N ASN 109.A O no hydrogen 2.884 N/A LYS 114.A N TYR 110.A O no hydrogen 3.098 N/A LYS 114.A NZ TYR 110.A OH no hydrogen 2.984 N/A LYS 114.A NZ LEU 164.A O no hydrogen 3.267 N/A TYR 117.A N GLY 113.A O no hydrogen 2.901 N/A TYR 117.A OH HIS 161.A NE2 no hydrogen 2.726 N/A VAL 118.A N LYS 114.A O no hydrogen 2.818 N/A LYS 119.A N ASP 115.A O no hydrogen 3.090 N/A LYS 119.A NZ ASP 115.A OD1 no hydrogen 3.159 N/A ALA 120.A N ASP 116.A O no hydrogen 3.067 N/A LEU 121.A N VAL 118.A O no hydrogen 3.114 N/A GLN 124.A N LEU 121.A O no hydrogen 2.897 N/A LEU 125.A N LEU 121.A O no hydrogen 2.941 N/A LEU 125.A N PRO 122.A O no hydrogen 3.264 N/A LYS 126.A N PRO 122.A O no hydrogen 2.921 N/A PHE 128.A N LEU 125.A O no hydrogen 2.990 N/A GLU 129.A N LEU 125.A O no hydrogen 3.428 N/A THR 130.A N LYS 126.A O no hydrogen 2.856 N/A THR 130.A OG1 LYS 126.A O no hydrogen 3.179 N/A LEU 131.A N PRO 127.A O no hydrogen 2.956 N/A LEU 132.A N PHE 128.A O no hydrogen 3.056 N/A SER 133.A N GLU 129.A O no hydrogen 2.916 N/A SER 133.A OG THR 130.A O no hydrogen 2.703 N/A GLN 134.A N THR 130.A O no hydrogen 3.169 N/A GLN 134.A N LEU 131.A O no hydrogen 3.262 N/A ASN 135.A N LEU 132.A O no hydrogen 3.001 N/A ASN 135.A ND2 PHE 141.A O no hydrogen 2.860 N/A ASN 135.A ND2 GLY 144.A O no hydrogen 2.914 N/A GLY 138.A N ASN 135.A O no hydrogen 3.020 N/A LYS 139.A N GLN 136.A O no hydrogen 3.267 N/A THR 140.A OG1 GLY 144.A O no hydrogen 3.284 N/A THR 140.A OG1 ASP 145.A OD1 no hydrogen 3.317 N/A PHE 141.A N THR 140.A OG1 no hydrogen 2.647 N/A ILE 142.A N ASP 151.A OD1 no hydrogen 2.875 N/A SER 148.A N ASP 151.A OD2 no hydrogen 2.767 N/A SER 148.A OG ASP 151.A OD2 no hydrogen 3.385 N/A PHE 149.A N LEU 77.A O no hydrogen 2.953 N/A ASP 151.A N SER 148.A O no hydrogen 2.974 N/A TYR 152.A OH ASP 22.A OD2 no hydrogen 2.554 N/A ASN 153.A N PHE 149.A O no hydrogen 3.123 N/A LEU 154.A N ALA 150.A O no hydrogen 2.870 N/A LEU 155.A N ASP 151.A O no hydrogen 2.742 N/A ASP 156.A N TYR 152.A O no hydrogen 3.011 N/A LEU 157.A N ASN 153.A O no hydrogen 2.927 N/A LEU 158.A N LEU 154.A O no hydrogen 2.883 N/A LEU 159.A N LEU 155.A O no hydrogen 2.850 N/A ILE 160.A N ASP 156.A O no hydrogen 2.936 N/A HIS 161.A N LEU 157.A O no hydrogen 3.095 N/A HIS 161.A ND1 LEU 157.A O no hydrogen 2.715 N/A HIS 161.A NE2 TYR 117.A OH no hydrogen 2.726 N/A GLU 162.A N LEU 158.A O no hydrogen 2.941 N/A VAL 163.A N LEU 159.A O no hydrogen 3.318 N/A LEU 164.A N ILE 160.A O no hydrogen 3.061 N/A ALA 165.A N HIS 161.A O no hydrogen 2.774 N/A CYS 168.A N ALA 165.A O no hydrogen 2.966 N/A CYS 168.A SG HIS 161.A O no hydrogen 3.545 N/A ASP 170.A N GLY 167.A O no hydrogen 2.893 N/A PHE 172.A N LEU 169.A O no hydrogen 2.848 N/A LEU 174.A N GLU 129.A OE2 no hydrogen 2.988 N/A LEU 175.A N GLU 129.A OE1 no hydrogen 2.813 N/A SER 176.A N PHE 172.A O no hydrogen 2.851 N/A ALA 177.A N PRO 173.A O no hydrogen 3.002 N/A TYR 178.A N LEU 174.A O no hydrogen 2.889 N/A TYR 178.A OH ASP 151.A OD1 no hydrogen 2.630 N/A VAL 179.A N LEU 175.A O no hydrogen 2.995 N/A GLY 180.A N SER 176.A O no hydrogen 3.268 N/A ARG 181.A N ALA 177.A O no hydrogen 2.896 N/A ARG 181.A NH2 GLY 138.A O no hydrogen 2.911 N/A ARG 181.A NH2 THR 140.A O no hydrogen 3.003 N/A LEU 182.A N TYR 178.A O no hydrogen 2.948 N/A SER 183.A N VAL 179.A O no hydrogen 2.957 N/A SER 183.A OG VAL 179.A O no hydrogen 2.710 N/A ALA 184.A N ARG 181.A O no hydrogen 3.217 N/A ARG 185.A N LEU 182.A O no hydrogen 3.124 N/A ARG 185.A NE ASP 22.A OD2 no hydrogen 2.796 N/A ARG 185.A NH2 ASP 22.A OD2 no hydrogen 3.119 N/A LYS 189.A N ARG 185.A O no hydrogen 2.688 N/A ALA 190.A N PRO 186.A O no hydrogen 3.055 N/A PHE 191.A N LYS 187.A O no hydrogen 3.045 N/A LEU 192.A N LEU 188.A O no hydrogen 2.827 N/A ALA 193.A N LYS 189.A O no hydrogen 3.106 N/A SER 194.A N PHE 191.A O no hydrogen 3.057 N/A SER 194.A OG PHE 191.A O no hydrogen 2.749 N/A TYR 197.A N SER 194.A O no hydrogen 3.046 N/A VAL 198.A N SER 194.A O no hydrogen 2.799 N/A ASN 199.A N PRO 195.A O no hydrogen 2.965 N/A LEU 200.A N TYR 197.A O no hydrogen 3.246 N/A ASN 205.A ND2 ILE 106.A O no hydrogen 2.808 N/A GLY 206.A N ASN 203.A O no hydrogen 3.235 N/A LYS 207.A N ASN 205.A OD1 no hydrogen 3.178 N/A