Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1bru_P.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N ARG 134.A O no hydrogen 2.851 N/A VAL 1.A N ASP 187.A OD2 no hydrogen 2.840 N/A VAL 2.A N SER 182.A O no hydrogen 2.960 N/A GLU 5.A N GLN 147.A O no hydrogen 2.798 N/A ALA 7.A N LEU 145.A O no hydrogen 2.715 N/A SER 11.A N ARG 8.A O no hydrogen 2.996 N/A SER 11.A OG ARG 8.A O no hydrogen 2.675 N/A TRP 12.A NE1 GLN 147.A OE1 no hydrogen 2.830 N/A TRP 14.A NE1 ASN 193.A OD1 no hydrogen 2.826 N/A GLN 15.A N TRP 12.A O no hydrogen 3.083 N/A GLN 15.A NE2 THR 130.A O no hydrogen 3.303 N/A VAL 16.A N GLY 32.A O no hydrogen 2.841 N/A SER 17.A N VAL 56.A O no hydrogen 2.811 N/A SER 17.A OG HIS 28.A ND1 no hydrogen 2.863 N/A LEU 18.A N CYS 30.A O no hydrogen 2.725 N/A GLN 19.A N ARG 54A.A O no hydrogen 2.855 N/A GLN 19.A NE2 SER 17.A OG no hydrogen 3.132 N/A TYR 20.A N ARG 27.A O no hydrogen 2.926 N/A ASP 21.A N THR 52.A O no hydrogen 2.933 N/A GLN 25.A N SER 22A.A O no hydrogen 2.754 N/A ARG 27.A N TYR 20.A O no hydrogen 2.896 N/A HIS 28.A ND1 SER 17.A OG no hydrogen 2.863 N/A HIS 28.A NE2 GLY 186.A O no hydrogen 3.103 N/A THR 29.A N LEU 18.A O no hydrogen 2.976 N/A CYS 30.A N LEU 18.A O no hydrogen 3.212 N/A CYS 30.A SG THR 29.A O no hydrogen 3.086 N/A GLY 31.A N SER 188.A O no hydrogen 2.775 N/A THR 33.A N LEU 41.A O no hydrogen 2.831 N/A LEU 34.A N TRP 14.A O no hydrogen 2.835 N/A VAL 35.A N TRP 39.A O no hydrogen 2.799 N/A SER 38.A N ASP 36.A OD1 no hydrogen 3.122 N/A TRP 39.A N ASP 36.A O no hydrogen 3.043 N/A VAL 40.A N LEU 97.A O no hydrogen 2.815 N/A LEU 41.A N THR 33.A O no hydrogen 2.783 N/A THR 42.A N ALA 95.A O no hydrogen 2.945 N/A THR 42.A OG1 GLY 31.A O no hydrogen 2.750 N/A ALA 43.A N THR 42.A OG1 no hydrogen 2.736 N/A HIS 45.A N ASP 93.A OD1 no hydrogen 3.101 N/A HIS 45.A ND1 ASP 93.A OD2 no hydrogen 2.709 N/A CYS 46.A N ALA 43.A O no hydrogen 2.981 N/A ILE 47.A N ALA 44.A O no hydrogen 3.110 N/A SER 48.A N TYR 53.A OH no hydrogen 2.877 N/A SER 48.A OG SER 50.A OG no hydrogen 3.069 N/A SER 50.A OG SER 48.A OG no hydrogen 3.069 N/A ARG 51.A N SER 48.A O no hydrogen 2.760 N/A TYR 53.A OH CYS 46.A O no hydrogen 3.275 N/A VAL 55.A N VAL 72.A O no hydrogen 2.962 N/A VAL 56.A N SER 17.A O no hydrogen 2.770 N/A LEU 57.A N LEU 70.A O no hydrogen 2.763 N/A ARG 59.A NE SER 61.A O no hydrogen 2.987 N/A ARG 59.A NH2 LEU 62.A O no hydrogen 3.448 N/A HIS 60.A N GLU 66.A OE1 no hydrogen 2.919 N/A SER 61.A N GLU 66.A OE2 no hydrogen 2.916 N/A SER 61.A OG THR 64.A OG1 no hydrogen 2.896 N/A SER 61.A OG ASP 143.A OD1 no hydrogen 3.297 N/A SER 61.A OG ASP 143.A OD2 no hydrogen 2.727 N/A LEU 62.A N ASP 143.A O no hydrogen 2.814 N/A SER 63.A N ASP 143.A OD1 no hydrogen 2.909 N/A SER 63.A OG ASP 143.A OD1 no hydrogen 2.789 N/A THR 64.A N SER 61.A OG no hydrogen 3.096 N/A THR 64.A OG1 SER 61.A OG no hydrogen 2.896 N/A SER 69.A N GLU 66.A O no hydrogen 2.901 N/A SER 69.A OG ASN 65.A OD1 no hydrogen 3.499 N/A SER 69.A OG GLU 66.A O no hydrogen 2.730 N/A LEU 70.A N LEU 57.A O no hydrogen 3.008 N/A VAL 72.A N VAL 55.A O no hydrogen 2.920 N/A VAL 74.A N TYR 53.A O no hydrogen 3.150 N/A SER 75.A N LYS 98.A O no hydrogen 2.658 N/A SER 75.A OG LYS 98.A O no hydrogen 3.201 N/A LYS 76.A N LYS 98.A O no hydrogen 3.328 N/A LYS 76.A NZ ASN 241.A OXT no hydrogen 2.976 N/A VAL 78.A N LEU 96.A O no hydrogen 2.811 N/A HIS 80.A N ILE 94.A O no hydrogen 2.899 N/A ASP 82.A N HIS 80.A ND1 no hydrogen 3.055 N/A TRP 83.A N HIS 80.A O no hydrogen 2.995 N/A ASN 86.A N ASN 84.A OD1 no hydrogen 2.789 N/A GLN 87.A N ASN 84.A O no hydrogen 3.030 N/A GLY 91.A N LEU 88.A O no hydrogen 3.088 N/A ALA 95.A N THR 42.A O no hydrogen 3.005 N/A LEU 96.A N VAL 78.A O no hydrogen 2.869 N/A LEU 97.A N VAL 40.A O no hydrogen 2.710 N/A LYS 98.A N LYS 76.A O no hydrogen 2.805 N/A LYS 98.A NZ ASN 241.A OXT no hydrogen 2.955 N/A LEU 99.A N SER 38.A O no hydrogen 2.821 N/A ALA 100.A N LYS 73.A O no hydrogen 2.692 N/A VAL 103.A N GLN 37.A O no hydrogen 2.998 N/A THR 106.A N ILE 109.A O no hydrogen 2.899 N/A LYS 108.A N THR 106.A OG1 no hydrogen 3.045 N/A LYS 108.A NZ PRO 67.A O no hydrogen 2.627 N/A ILE 109.A N THR 106.A OG1 no hydrogen 3.158 N/A GLN 110.A N PRO 13.A O no hydrogen 3.095 N/A GLY 112.A N LEU 34.A O no hydrogen 2.784 N/A GLY 118.A N SER 228.A O no hydrogen 2.971 N/A THR 119.A N ALA 116.A O no hydrogen 3.203 N/A THR 119.A OG1 ALA 116.A O no hydrogen 2.920 N/A ASN 124.A N VAL 152.A O no hydrogen 2.671 N/A TYR 125.A N PRO 122.A O no hydrogen 3.074 N/A TYR 125.A OH GLN 195.A O no hydrogen 2.784 N/A CYS 127.A N LEU 150.A O no hydrogen 2.964 N/A TYR 128.A N ASN 193.A O no hydrogen 2.771 N/A VAL 129.A N GLY 148.A O no hydrogen 2.784 N/A THR 130.A N PRO 191.A O no hydrogen 3.500 N/A GLY 131.A N GLN 146.A O no hydrogen 3.087 N/A TRP 132.A NE1 HIS 60.A O no hydrogen 2.975 N/A GLY 133.A N ASP 187.A OD1 no hydrogen 2.751 N/A ARG 134.A N ASN 185.A O no hydrogen 3.058 N/A LEU 135.A N ALA 140.A O no hydrogen 2.648 N/A GLY 139.A N GLN 136.A O no hydrogen 2.868 N/A LEU 145.A N HIS 60.A O no hydrogen 3.048 N/A GLN 146.A N GLY 131.A O no hydrogen 3.221 N/A GLN 146.A NE2 ASP 6.A OD1 no hydrogen 2.836 N/A GLN 146.A NE2 ILE 144.A O no hydrogen 2.875 N/A GLN 147.A N GLU 5.A O no hydrogen 2.746 N/A GLN 147.A NE2 GLU 5.A OE2 no hydrogen 3.116 N/A GLY 148.A N VAL 129.A O no hydrogen 2.919 N/A GLN 149.A NE2 TYR 128.A OH no hydrogen 3.085 N/A LEU 150.A N CYS 127.A O no hydrogen 2.943 N/A VAL 152.A N TYR 125.A O no hydrogen 2.788 N/A VAL 153.A N CYS 174.A O no hydrogen 2.802 N/A ASP 154.A N ASN 123.A OD1 no hydrogen 3.134 N/A TYR 155.A OH VAL 168.A O no hydrogen 3.409 N/A THR 157.A N ASP 154.A OD1 no hydrogen 3.004 N/A THR 157.A OG1 ASP 154.A OD1 no hydrogen 2.758 N/A CYS 158.A N ASP 154.A O no hydrogen 2.942 N/A SER 159.A N TYR 155.A O no hydrogen 2.876 N/A SER 159.A OG TYR 155.A O no hydrogen 2.954 N/A SER 159.A OG ALA 156.A O no hydrogen 3.538 N/A LYS 160.A N THR 157.A O no hydrogen 3.035 N/A TRP 163.A N LYS 160.A O no hydrogen 2.862 N/A TRP 164.A N CYS 158.A O no hydrogen 2.808 N/A TRP 164.A NE1 PRO 221.A O no hydrogen 2.723 N/A GLY 165.A N LYS 160.A O no hydrogen 2.877 N/A THR 167.A N TRP 164.A O no hydrogen 3.048 N/A THR 167.A OG1 TRP 164.A O no hydrogen 3.183 N/A LYS 169.A NZ SER 166.A O no hydrogen 3.109 N/A LYS 169.A NZ THR 167.A O no hydrogen 3.272 N/A LYS 169.A NZ SER 89A.A O no hydrogen 2.810 N/A ASN 171.A ND2 ASN 90B.A O no hydrogen 2.986 N/A MET 172.A N LYS 169.A O no hydrogen 3.332 N/A ILE 173.A N PHE 224.A O no hydrogen 2.675 N/A ALA 175.A N SER 222.A O no hydrogen 2.966 N/A GLY 176.A N LEU 151.A O no hydrogen 2.866 N/A ILE 180.A N ASP 178.A OD1 no hydrogen 2.746 N/A SER 182.A N VAL 2.A O no hydrogen 3.199 N/A SER 182.A OG SER 183.A O no hydrogen 2.899 N/A SER 183.A N SER 222.A OG no hydrogen 3.194 N/A SER 183.A OG SER 222.A OG no hydrogen 3.206 N/A CYS 184.A N ASP 187.A OD2 no hydrogen 2.842 N/A CYS 184.A SG ASN 185.A OD1 no hydrogen 3.628 N/A ASP 187.A N CYS 184.A O no hydrogen 2.741 N/A SER 188.A OG HIS 45.A NE2 no hydrogen 3.163 N/A GLY 189.A N VAL 207.A O no hydrogen 2.718 N/A GLY 190.A N ASP 187.A O no hydrogen 2.908 N/A LEU 192.A N GLY 205.A O no hydrogen 2.757 N/A ASN 193.A N TYR 128.A O no hydrogen 2.842 N/A ASN 193.A ND2 TYR 128.A O no hydrogen 3.208 N/A CYS 194.A N GLN 202.A O no hydrogen 2.801 N/A CYS 194.A SG LEU 192.A O no hydrogen 3.990 N/A GLN 195.A NE2 GLY 199.A O no hydrogen 2.788 N/A GLY 199.A N GLY 196A.A O no hydrogen 3.214 N/A GLN 200.A N ASN 198.A OD1 no hydrogen 3.092 N/A GLN 202.A N CYS 194.A O no hydrogen 2.771 N/A GLN 202.A NE2 GLN 200.A OE1 no hydrogen 3.104 N/A VAL 203.A N CYS 113.A O no hydrogen 2.855 N/A HIS 204.A N LEU 192.A O no hydrogen 2.982 N/A HIS 204.A NE2 GLN 202.A OE1 no hydrogen 3.062 N/A ILE 206.A N THR 225.A O no hydrogen 3.018 N/A VAL 207.A N GLY 190.A O no hydrogen 2.755 N/A SER 208.A N VAL 223.A O no hydrogen 2.988 N/A SER 208.A OG ASP 93.A OD2 no hydrogen 2.797 N/A PHE 209.A N VAL 223.A O no hydrogen 3.144 N/A LEU 213.A N SER 211.A OG no hydrogen 3.190 N/A GLY 214.A N SER 211.A O no hydrogen 2.895 N/A CYS 215.A N THR 137.A OG1 no hydrogen 3.003 N/A CYS 215.A SG ASN 185.A OD1 no hydrogen 3.321 N/A HIS 219.A N GLY 177.A O no hydrogen 2.713 N/A LYS 220.A N TYR 217.A O no hydrogen 2.727 N/A LYS 220.A NZ TRP 163.A O no hydrogen 2.628 N/A LYS 220.A NZ GLY 162B.A O no hydrogen 3.548 N/A SER 222.A OG SER 183.A OG no hydrogen 3.206 N/A VAL 223.A N PHE 209.A O no hydrogen 2.811 N/A PHE 224.A N ILE 173.A O no hydrogen 2.786 N/A THR 225.A N ILE 206.A O no hydrogen 2.809 N/A THR 225.A OG1 ASP 93.A O no hydrogen 2.779 N/A ARG 226.A N ASN 171.A O no hydrogen 2.985 N/A ARG 226.A NE THR 170.A O no hydrogen 3.012 N/A ARG 226.A NH1 SER 228.A OG no hydrogen 2.917 N/A ARG 226.A NH2 THR 170.A O no hydrogen 3.071 N/A VAL 227.A N HIS 204.A O no hydrogen 2.872 N/A SER 228.A OG THR 119.A O no hydrogen 2.739 N/A ASN 229.A N ARG 226.A O no hydrogen 2.963 N/A TYR 230.A N VAL 227.A O no hydrogen 2.825 N/A ILE 234.A N TYR 230.A O no hydrogen 2.840 N/A ASN 235.A N ILE 231.A O no hydrogen 3.098 N/A ASN 235.A ND2 ILE 231.A O no hydrogen 3.143 N/A SER 236.A N ASP 232.A O no hydrogen 2.968 N/A SER 236.A OG ASP 232.A O no hydrogen 3.566 N/A VAL 237.A N TRP 233.A O no hydrogen 2.918 N/A ILE 238.A N ILE 234.A O no hydrogen 3.112 N/A ALA 239.A N ASN 235.A O no hydrogen 2.920 N/A ASN 240.A N SER 236.A O no hydrogen 2.782 N/A ASN 241.A ND2 VAL 237.A O no hydrogen 2.888 N/A SER 22A.A N GLN 25.A O no hydrogen 2.595 N/A ARG 54A.A N GLN 19.A O no hydrogen 2.941 N/A ARG 54A.A NE GLN 19.A OE1 no hydrogen 2.964 N/A ARG 54A.A NH2 GLN 19.A OE1 no hydrogen 2.884 N/A ILE 181A.A N ASP 178.A OD1 no hydrogen 3.277 N/A GLY 196A.A N GLN 200.A O no hydrogen 2.747 N/A ASN 90B.A N GLN 87.A O no hydrogen 3.067 N/A