Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH HIS 3.A ND1 no hydrogen 2.790 N/A HIS 3.A ND1 TYR 1.A OH no hydrogen 2.790 N/A HIS 3.A NE2 PRO 14.A O no hydrogen 3.022 N/A ARG 4.A NH1 GLY 8.A O no hydrogen 2.956 N/A ASP 5.A N ALA 9.A O no hydrogen 2.798 N/A TRP 6.A N PHE 131.A O no hydrogen 3.233 N/A GLY 8.A N ASP 5.A O no hydrogen 2.870 N/A ALA 9.A N ASP 5.A OD1 no hydrogen 2.757 N/A LEU 11.A N HIS 3.A O no hydrogen 3.010 N/A LYS 17.A N ASP 181.A OD1 no hydrogen 3.210 N/A LYS 17.A NZ THR 176.A O no hydrogen 2.799 N/A LYS 17.A NZ ASP 181.A OD2 no hydrogen 2.761 N/A VAL 18.A N LYS 44.A O no hydrogen 2.951 N/A VAL 19.A N ILE 182.A O no hydrogen 2.950 N/A CYS 20.A N PHE 42.A O no hydrogen 2.803 N/A CYS 20.A SG VAL 18.A O no hydrogen 3.846 N/A GLY 22.A N VAL 40.A O no hydrogen 2.863 N/A ASN 24.A ND2 THR 163.A O no hydrogen 3.099 N/A ASN 24.A ND2 THR 185.A O no hydrogen 3.084 N/A HIS 28.A N TYR 25.A O no hydrogen 3.008 N/A HIS 28.A ND1 GLU 31.A OE2 no hydrogen 2.857 N/A ILE 29.A N TYR 25.A O no hydrogen 2.985 N/A LYS 30.A N ALA 26.A O no hydrogen 3.024 N/A GLU 31.A N GLU 27.A O no hydrogen 3.227 N/A SER 33.A N ILE 29.A O no hydrogen 3.068 N/A SER 33.A OG ILE 29.A O no hydrogen 3.475 N/A SER 36.A OG GLU 38.A O no hydrogen 3.071 N/A PHE 42.A N CYS 20.A O no hydrogen 3.096 N/A LYS 44.A N VAL 18.A O no hydrogen 2.810 N/A LYS 44.A NZ ASP 99.A OD1 no hydrogen 2.583 N/A LYS 44.A NZ LYS 120.A O no hydrogen 2.700 N/A LYS 44.A NZ SER 125.A O no hydrogen 3.129 N/A LYS 44.A NZ SER 125.A OG no hydrogen 3.427 N/A ALA 48.A N PRO 45.A O no hydrogen 2.909 N/A LEU 49.A N GLU 46.A O no hydrogen 3.074 N/A CYS 50.A N CYS 126.A O no hydrogen 3.287 N/A CYS 50.A SG GLY 124.A O no hydrogen 4.002 N/A ILE 52.A N ILE 128.A O no hydrogen 2.940 N/A ARG 53.A N ASP 51.A OD1 no hydrogen 2.788 N/A GLN 54.A N ASP 51.A O no hydrogen 3.086 N/A VAL 56.A N ARG 209.A O no hydrogen 2.898 N/A LYS 60.A NZ ILE 58.A O no hydrogen 2.910 N/A SER 64.A N GLU 104.A OE2 no hydrogen 2.815 N/A SER 64.A OG GLU 104.A OE2 no hydrogen 3.139 N/A HIS 66.A N THR 101.A O no hydrogen 3.003 N/A HIS 67.A N GLY 192.A O no hydrogen 2.845 N/A HIS 67.A ND1 GLN 155.A OE1 no hydrogen 2.963 N/A ILE 69.A N GLN 155.A OE1 no hydrogen 3.043 N/A GLU 70.A N ALA 97.A O no hydrogen 2.945 N/A ALA 72.A N GLY 95.A O no hydrogen 2.775 N/A VAL 73.A N VAL 183.A O no hydrogen 2.764 N/A LEU 74.A N GLY 93.A O no hydrogen 2.951 N/A ILE 75.A N ASP 181.A O no hydrogen 2.958 N/A GLY 76.A N ALA 90.A O no hydrogen 2.773 N/A LEU 79.A N LEU 177.A O no hydrogen 2.860 N/A GLN 81.A N SER 172.A O no hydrogen 2.814 N/A ALA 82.A N SER 172.A OG no hydrogen 2.947 N/A ARG 86.A N SER 83.A OG no hydrogen 3.159 N/A VAL 87.A N SER 83.A O no hydrogen 2.973 N/A ALA 88.A N GLU 84.A O no hydrogen 2.933 N/A ARG 89.A N ASP 85.A O no hydrogen 3.223 N/A ALA 90.A N VAL 87.A O no hydrogen 2.870 N/A ALA 92.A N LEU 74.A O no hydrogen 2.754 N/A TYR 94.A N ILE 132.A O no hydrogen 2.984 N/A GLY 95.A N ALA 72.A O no hydrogen 2.782 N/A VAL 96.A N SER 129.A OG no hydrogen 2.837 N/A ALA 97.A N GLU 70.A O no hydrogen 2.922 N/A LEU 98.A N PRO 127.A O no hydrogen 3.019 N/A ASP 99.A N GLU 68.A O no hydrogen 2.846 N/A LEU 100.A N SER 125.A O no hydrogen 2.972 N/A THR 101.A N HIS 66.A O no hydrogen 3.219 N/A THR 101.A OG1 ASP 99.A O no hydrogen 3.305 N/A LEU 102.A N ALA 119.A O no hydrogen 2.966 N/A ARG 103.A N SER 64.A O no hydrogen 3.411 N/A GLN 106.A N LEU 102.A O no hydrogen 2.886 N/A ALA 107.A N ARG 103.A O no hydrogen 2.931 N/A GLY 108.A N GLU 104.A O no hydrogen 3.162 N/A PHE 109.A N LEU 105.A O no hydrogen 2.850 N/A LYS 110.A N GLN 106.A O no hydrogen 2.932 N/A LYS 111.A N ALA 107.A O no hydrogen 3.208 N/A ALA 112.A N GLY 108.A O no hydrogen 3.036 N/A ALA 112.A N PHE 109.A O no hydrogen 3.213 N/A GLY 113.A N LYS 110.A O no hydrogen 3.278 N/A GLN 114.A N PHE 109.A O no hydrogen 2.809 N/A GLU 117.A N GLU 117.A OE1 no hydrogen 2.706 N/A ALA 119.A N TRP 116.A O no hydrogen 2.788 N/A LYS 120.A N TRP 116.A O no hydrogen 2.886 N/A LYS 120.A NZ ASP 99.A OD1 no hydrogen 3.414 N/A LYS 120.A NZ ASP 99.A OD2 no hydrogen 2.855 N/A LYS 120.A NZ THR 101.A OG1 no hydrogen 2.785 N/A ALA 121.A N GLU 117.A O no hydrogen 2.677 N/A GLY 124.A N THR 47.A O no hydrogen 3.133 N/A SER 125.A N PHE 122.A O no hydrogen 3.032 N/A SER 125.A OG LYS 120.A O no hydrogen 2.913 N/A SER 125.A OG PHE 122.A O no hydrogen 3.021 N/A CYS 126.A N ALA 48.A O no hydrogen 2.887 N/A ILE 128.A N CYS 50.A O no hydrogen 2.890 N/A SER 129.A N VAL 96.A O no hydrogen 2.983 N/A SER 129.A OG VAL 96.A O no hydrogen 3.314 N/A SER 129.A OG GLY 130.A O no hydrogen 2.814 N/A PHE 131.A N ARG 4.A O no hydrogen 2.776 N/A ILE 132.A N TYR 94.A O no hydrogen 2.771 N/A GLU 136.A N PRO 133.A O no hydrogen 3.078 N/A PHE 137.A N VAL 134.A O no hydrogen 3.273 N/A GLN 141.A N ASP 139.A OD1 no hydrogen 2.948 N/A GLN 141.A NE2 THR 159.A O no hydrogen 2.761 N/A GLN 142.A N ASP 139.A O no hydrogen 3.090 N/A GLN 142.A NE2 ASP 139.A OD2 no hydrogen 3.455 N/A ALA 143.A N ALA 140.A O no hydrogen 3.426 N/A ALA 143.A N THR 159.A OG1 no hydrogen 3.109 N/A ASP 144.A N ASN 202.A OD1 no hydrogen 2.894 N/A LEU 145.A N GLY 157.A O no hydrogen 2.912 N/A LEU 147.A N GLN 155.A O no hydrogen 2.715 N/A THR 148.A N LYS 199.A O no hydrogen 2.869 N/A ILE 149.A N GLU 152.A O no hydrogen 2.901 N/A ASN 150.A ND2 ASP 197.A OD1 no hydrogen 3.018 N/A GLU 152.A N ILE 149.A O no hydrogen 3.033 N/A ARG 154.A N LEU 147.A O no hydrogen 2.836 N/A ARG 154.A NH2 PRO 193.A O no hydrogen 2.726 N/A GLN 155.A N LEU 147.A O no hydrogen 3.251 N/A GLN 155.A NE2 THR 187.A OG1 no hydrogen 2.956 N/A GLN 155.A NE2 PRO 188.A O no hydrogen 2.986 N/A GLN 155.A NE2 GLN 189.A O no hydrogen 3.348 N/A GLY 157.A N LEU 145.A O no hydrogen 2.786 N/A ASN 158.A ND2 GLN 142.A O no hydrogen 2.783 N/A ASN 158.A ND2 ASP 144.A OD1 no hydrogen 2.909 N/A THR 159.A N ALA 143.A O no hydrogen 2.881 N/A THR 159.A OG1 ALA 140.A O no hydrogen 2.530 N/A ARG 160.A N ASN 158.A OD1 no hydrogen 2.920 N/A ARG 160.A NH2 GLN 142.A OE1 no hydrogen 3.136 N/A ASP 161.A N ASN 158.A O no hydrogen 2.992 N/A THR 163.A N ASN 24.A OD1 no hydrogen 2.844 N/A ILE 165.A N GLN 141.A OE1 no hydrogen 2.884 N/A LEU 168.A N PRO 164.A O no hydrogen 3.015 N/A ILE 169.A N ILE 165.A O no hydrogen 2.947 N/A SER 170.A N ILE 166.A O no hydrogen 2.880 N/A SER 170.A OG ALA 82.A O no hydrogen 2.728 N/A TYR 171.A N PRO 167.A O no hydrogen 2.869 N/A SER 172.A OG SER 170.A O no hydrogen 2.693 N/A ARG 173.A N TYR 171.A O no hydrogen 2.913 N/A LEU 177.A N LEU 79.A O no hydrogen 2.860 N/A ARG 178.A N ASP 181.A OD2 no hydrogen 2.762 N/A GLY 180.A N ILE 75.A O no hydrogen 2.707 N/A ASP 181.A N ARG 178.A O no hydrogen 2.831 N/A ILE 182.A N LYS 17.A O no hydrogen 3.203 N/A VAL 183.A N VAL 73.A O no hydrogen 2.775 N/A LEU 184.A N VAL 19.A O no hydrogen 2.899 N/A THR 185.A N LEU 71.A O no hydrogen 3.097 N/A THR 185.A OG1 LEU 71.A O no hydrogen 2.933 N/A GLY 186.A N GLU 70.A OE1 no hydrogen 2.792 N/A THR 187.A OG1 ILE 69.A O no hydrogen 2.760 N/A THR 187.A OG1 PRO 188.A O no hydrogen 3.500 N/A GLY 190.A N GLU 31.A OE1 no hydrogen 2.852 N/A GLY 190.A N GLU 31.A OE2 no hydrogen 3.161 N/A VAL 191.A N GLU 31.A OE2 no hydrogen 3.213 N/A GLN 194.A N ASP 197.A OD2 no hydrogen 2.938 N/A GLY 196.A N ILE 210.A O no hydrogen 2.799 N/A ASP 197.A N GLN 194.A O no hydrogen 3.109 N/A LYS 199.A N THR 148.A O no hydrogen 2.828 N/A LYS 199.A NZ ASN 207.A OD1 no hydrogen 2.689 N/A ILE 200.A N VAL 206.A O no hydrogen 2.754 N/A ASN 202.A N ASP 144.A O no hydrogen 2.876 N/A LYS 204.A N LEU 201.A O no hydrogen 2.913 N/A VAL 206.A N ILE 200.A O no hydrogen 2.858 N/A THR 208.A N LEU 198.A O no hydrogen 2.988 N/A THR 208.A OG1 ILE 52.A O no hydrogen 3.074 N/A THR 208.A OG1 GLN 54.A O no hydrogen 2.774 N/A ILE 210.A N ASP 197.A O no hydrogen 2.866 N/A ILE 211.A N VAL 56.A O no hydrogen 3.010 N/A