Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a8m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 13.A N PRO 9.A O no hydrogen 3.037 N/A ARG 13.A NE ALA 8.A O no hydrogen 2.804 N/A ARG 13.A NH2 ALA 8.A O no hydrogen 3.147 N/A ALA 14.A N VAL 10.A O no hydrogen 2.825 N/A TRP 15.A N SER 11.A O no hydrogen 2.920 N/A ALA 16.A N ASP 12.A O no hydrogen 2.939 N/A LEU 17.A N ARG 13.A O no hydrogen 3.004 N/A PHE 18.A N ALA 14.A O no hydrogen 3.062 N/A ARG 19.A N TRP 15.A O no hydrogen 2.846 N/A ALA 20.A N ALA 16.A O no hydrogen 2.841 N/A LEU 21.A N LEU 17.A O no hydrogen 3.213 N/A ASP 22.A N PHE 18.A O no hydrogen 2.791 N/A GLY 23.A N ARG 19.A O no hydrogen 2.844 N/A LYS 24.A N LEU 21.A O no hydrogen 3.108 N/A GLY 25.A N ASP 22.A O no hydrogen 2.930 N/A LEU 26.A N LEU 21.A O no hydrogen 3.219 N/A TYR 31.A N PRO 28.A O no hydrogen 3.019 N/A GLU 33.A N GLU 33.A OE2 no hydrogen 2.883 N/A GLY 34.A N GLY 30.A O no hydrogen 2.876 N/A TRP 35.A N TYR 31.A O no hydrogen 3.117 N/A TRP 35.A NE1 TYR 31.A OH no hydrogen 3.097 N/A LYS 36.A N VAL 32.A O no hydrogen 2.935 N/A LYS 36.A NZ GLU 40.A OE1 no hydrogen 2.742 N/A LYS 37.A N GLU 33.A O no hydrogen 3.084 N/A THR 38.A N GLY 34.A O no hydrogen 2.968 N/A THR 38.A OG1 GLY 34.A O no hydrogen 3.197 N/A PHE 39.A N TRP 35.A O no hydrogen 2.821 N/A GLU 40.A N LYS 36.A O no hydrogen 2.901 N/A GLU 41.A N LYS 37.A O no hydrogen 2.774 N/A ASP 42.A N THR 38.A O no hydrogen 3.002 N/A PHE 43.A N THR 38.A O no hydrogen 3.021 N/A SER 44.A N PRO 108.A O no hydrogen 3.355 N/A ARG 46.A N SER 44.A OG no hydrogen 3.014 N/A ARG 46.A NH1 VAL 180.A O no hydrogen 2.979 N/A ARG 46.A NH2 GLN 177.A O no hydrogen 2.884 N/A ARG 46.A NH2 VAL 180.A O no hydrogen 3.259 N/A ARG 47.A N SER 44.A O no hydrogen 3.079 N/A ARG 47.A NH1 PRO 108.A O no hydrogen 3.145 N/A GLY 48.A N ILE 109.A O no hydrogen 2.936 N/A ALA 49.A N PRO 45.A O no hydrogen 2.926 N/A GLU 50.A N ARG 46.A O no hydrogen 3.030 N/A LEU 51.A N ARG 47.A O no hydrogen 3.081 N/A VAL 52.A N GLY 48.A O no hydrogen 2.910 N/A ALA 53.A N ALA 49.A O no hydrogen 2.927 N/A ARG 54.A N GLU 50.A O no hydrogen 2.981 N/A ARG 54.A NE ASP 58.A OD1 no hydrogen 2.877 N/A ARG 54.A NH1 TYR 76.A OH no hydrogen 2.968 N/A ARG 54.A NH2 ASP 58.A OD1 no hydrogen 3.100 N/A ALA 55.A N LEU 51.A O no hydrogen 2.935 N/A TRP 56.A N VAL 52.A O no hydrogen 2.849 N/A TRP 56.A NE1 PRO 162.A O no hydrogen 2.902 N/A THR 57.A N ALA 53.A O no hydrogen 3.214 N/A THR 57.A N ARG 54.A O no hydrogen 3.058 N/A THR 57.A OG1 ALA 53.A O no hydrogen 3.032 N/A THR 57.A OG1 ARG 54.A O no hydrogen 3.370 N/A PHE 61.A N ASP 58.A OD2 no hydrogen 3.007 N/A ARG 62.A N ASP 58.A O no hydrogen 2.918 N/A ARG 62.A NH1.A GLU 90.A OE2 no hydrogen 3.079 N/A ARG 62.A NH2.A GLU 90.A OE2 no hydrogen 2.664 N/A ARG 62.A NH2.B GLU 90.A OE2 no hydrogen 2.951 N/A GLN 63.A N PRO 59.A O no hydrogen 2.997 N/A LEU 64.A N GLU 60.A O no hydrogen 3.129 N/A LEU 65.A N PHE 61.A O no hydrogen 2.807 N/A LEU 66.A N ARG 62.A O no hydrogen 2.984 N/A THR 67.A N LEU 64.A O no hydrogen 3.110 N/A THR 67.A OG1 GLN 63.A O no hydrogen 2.890 N/A THR 67.A OG1 LEU 64.A O no hydrogen 3.459 N/A ASP 68.A N LEU 64.A O no hydrogen 2.724 N/A ALA 71.A N ASP 68.A OD1 no hydrogen 3.068 N/A ALA 72.A N ASP 68.A O no hydrogen 3.135 N/A VAL 73.A N GLY 69.A O no hydrogen 2.905 N/A ALA 74.A N THR 70.A O no hydrogen 2.920 N/A GLN 75.A N ALA 71.A O no hydrogen 3.142 N/A GLN 75.A N ALA 72.A O no hydrogen 3.202 N/A TYR 76.A N VAL 73.A O no hydrogen 3.044 N/A GLY 77.A N ALA 74.A O no hydrogen 2.926 N/A TYR 78.A N VAL 73.A O no hydrogen 3.222 N/A TYR 78.A OH GLU 50.A OE2 no hydrogen 2.576 N/A GLY 80.A N GLY 83.A O no hydrogen 3.248 N/A ILE 86.A N THR 70.A OG1 no hydrogen 2.964 N/A VAL 87.A N ARG 157.A O no hydrogen 3.019 N/A VAL 89.A N MET 159.A O no hydrogen 2.962 N/A ASP 91.A N LEU 161.A O no hydrogen 3.052 N/A THR 92.A N LEU 95.A O no hydrogen 2.968 N/A THR 94.A N THR 92.A OG1 no hydrogen 3.059 N/A LEU 95.A N THR 92.A O no hydrogen 3.158 N/A LYS 96.A N GLU 146.A O no hydrogen 2.768 N/A LYS 96.A NZ ASP 91.A OD2 no hydrogen 2.779 N/A LYS 96.A NZ ASN 97.A O no hydrogen 2.870 N/A LYS 96.A NZ GLY 187.A O no hydrogen 3.073 N/A ASN 97.A N ASP 91.A OD1 no hydrogen 2.913 N/A ASN 97.A ND2 ASP 91.A OD1 no hydrogen 2.857 N/A VAL 98.A N ARG 148.A O no hydrogen 2.970 N/A ILE 99.A N ILE 186.A O no hydrogen 2.924 N/A VAL 100.A N TYR 150.A O no hydrogen 2.990 N/A CYS 101.A SG THR 152.A O no hydrogen 3.411 N/A SER 102.A N ASP 151.A OD1 no hydrogen 2.840 N/A SER 102.A OG ASP 151.A OD1 no hydrogen 3.294 N/A SER 102.A OG ASP 151.A OD2 no hydrogen 2.663 N/A THR 105.A OG1 SER 104.A O no hydrogen 2.813 N/A TRP 107.A N GLN 82.A O no hydrogen 3.308 N/A ILE 109.A N ALA 106.A O no hydrogen 3.197 N/A LEU 110.A N ALA 106.A O no hydrogen 2.907 N/A GLY 111.A N TRP 107.A O no hydrogen 2.825 N/A TYR 117.A N PRO 114.A O no hydrogen 2.998 N/A LYS 118.A N PRO 114.A O no hydrogen 3.411 N/A LYS 118.A N THR 115.A O no hydrogen 3.150 N/A LYS 118.A NZ PRO 113.A O no hydrogen 3.388 N/A SER 119.A N TRP 116.A O no hydrogen 3.233 N/A SER 119.A OG TRP 116.A O no hydrogen 2.731 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.794 N/A TYR 122.A N SER 119.A OG no hydrogen 3.077 N/A TYR 122.A OH ILE 99.A O no hydrogen 2.769 N/A ARG 123.A N SER 119.A O no hydrogen 3.031 N/A ARG 123.A NE SER 102.A O no hydrogen 2.863 N/A ARG 123.A NH2 SER 102.A O no hydrogen 3.147 N/A ALA 124.A N PHE 120.A O no hydrogen 2.901 N/A ARG 125.A N GLU 121.A O no hydrogen 2.988 N/A ARG 125.A NE GLU 129.A OE1 no hydrogen 2.829 N/A ARG 125.A NH1 GLU 136.A OE2 no hydrogen 2.906 N/A ARG 125.A NH2 GLU 129.A OE1 no hydrogen 3.249 N/A ARG 125.A NH2 GLU 136.A OE1 no hydrogen 3.223 N/A ARG 125.A NH2 GLU 136.A OE2 no hydrogen 3.204 N/A VAL 126.A N TYR 122.A O no hydrogen 3.040 N/A ARG 128.A N ARG 125.A O no hydrogen 3.094 N/A GLU 129.A N ARG 125.A O no hydrogen 2.812 N/A ARG 131.A NH1 ILE 141.A O no hydrogen 3.561 N/A ARG 131.A NH1 ILE 145.A O no hydrogen 3.202 N/A VAL 133.A N GLU 129.A O no hydrogen 2.946 N/A LEU 134.A N PRO 130.A O no hydrogen 2.880 N/A SER 135.A N ARG 131.A O no hydrogen 2.950 N/A SER 135.A OG GLU 140.A OE1 no hydrogen 2.393 N/A GLU 136.A N LYS 132.A O no hydrogen 2.914 N/A MET 137.A N VAL 133.A O no hydrogen 3.056 N/A GLY 138.A N SER 135.A O no hydrogen 3.027 N/A THR 139.A N LEU 134.A O no hydrogen 2.875 N/A THR 139.A OG1 VAL 188.A O no hydrogen 2.701 N/A ILE 145.A N ALA 142.A O no hydrogen 2.916 N/A GLU 146.A N THR 94.A O no hydrogen 2.862 N/A ARG 148.A N LYS 96.A O no hydrogen 2.847 N/A ARG 148.A NH2 GLU 146.A OE2 no hydrogen 2.990 N/A TYR 150.A N VAL 98.A O no hydrogen 2.781 N/A THR 152.A N VAL 100.A O no hydrogen 2.777 N/A THR 152.A OG1 VAL 100.A O no hydrogen 3.016 N/A THR 153.A OG1 ASP 151.A O no hydrogen 3.467 N/A ARG 157.A N TYR 85.A O no hydrogen 2.910 N/A ARG 157.A NE GLN 82.A OE1 no hydrogen 3.062 N/A ARG 157.A NH1 ALA 154.A O no hydrogen 2.779 N/A ARG 157.A NH1 THR 156.A O no hydrogen 2.843 N/A ARG 157.A NH2 GLN 82.A OE1 no hydrogen 2.893 N/A ARG 157.A NH2 ALA 154.A O no hydrogen 3.387 N/A MET 159.A N VAL 87.A O no hydrogen 3.132 N/A VAL 160.A N LEU 185.A O no hydrogen 2.924 N/A LEU 161.A N VAL 89.A O no hydrogen 2.891 N/A ARG 164.A NE THR 168.A OG1 no hydrogen 3.008 N/A ARG 164.A NH2 THR 168.A O no hydrogen 2.825 N/A GLY 167.A N GLU 169.A OE1 no hydrogen 3.000 N/A THR 168.A OG1 PRO 165.A O no hydrogen 2.775 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.820 N/A TRP 171.A N THR 168.A O no hydrogen 3.031 N/A SER 172.A N GLN 175.A OE1 no hydrogen 2.868 N/A SER 172.A OG GLN 175.A OE1 no hydrogen 3.436 N/A GLN 175.A N SER 172.A OG no hydrogen 3.075 N/A LEU 176.A N SER 172.A O no hydrogen 2.952 N/A GLN 177.A N GLN 173.A O no hydrogen 2.812 N/A GLU 178.A N GLU 174.A O no hydrogen 3.303 N/A ILE 179.A N LEU 176.A O no hydrogen 3.104 N/A VAL 180.A N GLN 177.A O no hydrogen 3.103 N/A LYS 182.A NZ LEU 110.A O no hydrogen 2.790 N/A LYS 182.A NZ LEU 112.A O no hydrogen 2.852 N/A CYS 184.A N THR 181.A OG1 no hydrogen 3.299 N/A CYS 184.A SG ILE 179.A O no hydrogen 3.949 N/A CYS 184.A SG THR 181.A OG1 no hydrogen 3.375 N/A CYS 184.A SG ALA 189.A O no hydrogen 3.864 N/A LEU 185.A N THR 181.A O no hydrogen 3.125 N/A ILE 186.A N LYS 182.A O no hydrogen 3.041 N/A GLY 187.A N ASP 183.A O no hydrogen 2.953 N/A ALA 189.A N ASP 183.A O no hydrogen 3.222 N/A GLN 192.A NE2 ILE 190.A O no hydrogen 2.797 N/A