Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e9z_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 89.A OD1 no hydrogen 2.805 N/A ASN 7.A N ASN 4.A OD1 no hydrogen 2.895 N/A ASN 7.A ND2 THR 2.A O no hydrogen 2.773 N/A VAL 8.A N ASN 4.A O no hydrogen 2.995 N/A LYS 9.A N ILE 5.A O no hydrogen 2.912 N/A LYS 10.A N GLU 6.A O no hydrogen 3.115 N/A VAL 11.A N ASN 7.A O no hydrogen 2.982 N/A ALA 12.A N VAL 8.A O no hydrogen 2.831 N/A HIS 13.A N LYS 9.A O no hydrogen 2.668 N/A HIS 14.A N LYS 10.A O no hydrogen 2.948 N/A ILE 15.A N VAL 11.A O no hydrogen 2.972 N/A GLN 16.A N ALA 12.A O no hydrogen 2.885 N/A LYS 17.A N HIS 13.A O no hydrogen 3.137 N/A LYS 17.A N HIS 14.A O no hydrogen 2.987 N/A LEU 18.A N ILE 15.A O no hydrogen 2.872 N/A THR 19.A N ILE 15.A O no hydrogen 3.018 N/A ILE 21.A N THR 19.A OG1 no hydrogen 2.931 N/A GLU 24.A N LYS 72.A O no hydrogen 2.833 N/A ILE 25.A N LYS 72.A O no hydrogen 3.210 N/A GLY 26.A N ILE 105.A O no hydrogen 2.837 N/A ILE 27.A N VAL 74.A O no hydrogen 2.784 N/A ILE 28.A N MET 107.A O no hydrogen 2.813 N/A CYS 29.A N MET 76.A O no hydrogen 3.102 N/A CYS 29.A SG LEU 33.A O no hydrogen 3.183 N/A CYS 29.A SG MET 76.A O no hydrogen 3.676 N/A GLY 30.A N SER 109.A OG no hydrogen 2.897 N/A SER 31.A N SER 109.A OG no hydrogen 3.081 N/A LEU 36.A N LEU 33.A O no hydrogen 3.090 N/A ASP 38.A N LYS 35.A O no hydrogen 2.723 N/A GLY 39.A N LEU 36.A O no hydrogen 2.797 N/A VAL 40.A N ALA 37.A O no hydrogen 3.076 N/A LYS 41.A N THR 67.A O no hydrogen 2.864 N/A LYS 43.A NZ ALA 37.A O no hydrogen 3.090 N/A ILE 44.A N PHE 65.A O no hydrogen 2.756 N/A ILE 46.A N LEU 63.A O no hydrogen 2.751 N/A TYR 48.A N GLY 61.A O no hydrogen 2.790 N/A TYR 48.A OH GLY 78.A O no hydrogen 2.672 N/A LYS 50.A N PRO 47.A O no hydrogen 2.969 N/A ILE 51.A N TYR 48.A O no hydrogen 2.963 N/A PHE 54.A N ILE 51.A O no hydrogen 2.959 N/A GLN 56.A NE2 TYR 48.A O no hydrogen 3.098 N/A GLN 56.A NE2 PHE 54.A O no hydrogen 2.706 N/A SER 60.A OG GLY 61.A O no hydrogen 3.029 N/A ASN 62.A N GLN 77.A O no hydrogen 2.788 N/A ASN 62.A ND2 GLN 77.A OE1 no hydrogen 3.479 N/A LEU 63.A N ILE 46.A O no hydrogen 2.770 N/A ILE 64.A N VAL 75.A O no hydrogen 2.807 N/A PHE 65.A N ILE 44.A O no hydrogen 2.865 N/A GLY 66.A N VAL 73.A O no hydrogen 3.199 N/A THR 67.A N LYS 41.A O no hydrogen 2.889 N/A LEU 68.A N ARG 71.A O no hydrogen 2.776 N/A SER 69.A OG GLU 271.A O no hydrogen 2.581 N/A ARG 71.A N LEU 68.A O no hydrogen 2.885 N/A ARG 71.A NE GLU 24.A OE1 no hydrogen 2.862 N/A ARG 71.A NH1 PRO 278.A O no hydrogen 3.348 N/A ARG 71.A NH2 GLU 24.A OE1 no hydrogen 2.551 N/A VAL 73.A N GLY 66.A O no hydrogen 2.770 N/A VAL 74.A N ILE 25.A O no hydrogen 2.832 N/A VAL 75.A N ILE 64.A O no hydrogen 2.708 N/A MET 76.A N ILE 27.A O no hydrogen 2.651 N/A GLN 77.A N ASN 62.A O no hydrogen 2.784 N/A ARG 79.A NE GLU 219.A OE1 no hydrogen 3.381 N/A ARG 79.A NH1 SER 109.A O no hydrogen 2.628 N/A ARG 79.A NH2 THR 216.A OG1 no hydrogen 2.998 N/A ARG 79.A NH2 GLU 219.A OE1 no hydrogen 2.799 N/A GLU 84.A N HIS 81.A O no hydrogen 2.881 N/A GLY 85.A N MET 82.A O no hydrogen 2.852 N/A TYR 86.A OH GLN 56.A O no hydrogen 3.201 N/A SER 87.A OG THR 90.A OG1 no hydrogen 3.063 N/A THR 90.A N SER 87.A OG no hydrogen 2.958 N/A THR 90.A OG1 SER 87.A OG no hydrogen 3.063 N/A VAL 91.A N SER 87.A O no hydrogen 3.018 N/A ALA 92.A N ASN 88.A O no hydrogen 2.813 N/A LEU 93.A N ASP 89.A O no hydrogen 2.926 N/A ARG 96.A N ALA 92.A O no hydrogen 3.077 N/A ARG 96.A NH1 ALA 3.A O no hydrogen 2.770 N/A ARG 96.A NH2 HIS 225.A ND1 no hydrogen 3.413 N/A VAL 97.A N LEU 93.A O no hydrogen 2.719 N/A MET 98.A N PRO 94.A O no hydrogen 2.823 N/A LYS 99.A N ILE 95.A O no hydrogen 2.876 N/A LYS 99.A NZ CYS 226.A O no hydrogen 2.920 N/A LEU 100.A N ARG 96.A O no hydrogen 3.072 N/A LEU 101.A N VAL 97.A O no hydrogen 2.852 N/A GLY 102.A N LYS 99.A O no hydrogen 3.076 N/A VAL 103.A N MET 98.A O no hydrogen 2.902 N/A LYS 104.A N GLU 24.A O no hydrogen 2.739 N/A ILE 105.A N GLU 24.A O no hydrogen 3.270 N/A LEU 106.A N GLN 229.A O no hydrogen 2.638 N/A MET 107.A N GLY 26.A O no hydrogen 2.735 N/A VAL 108.A N PHE 231.A O no hydrogen 2.746 N/A SER 109.A N ILE 28.A O no hydrogen 3.322 N/A SER 109.A OG SER 31.A O no hydrogen 2.822 N/A ASN 110.A N VAL 233.A O no hydrogen 2.940 N/A ASN 110.A ND2 THR 216.A OG1 no hydrogen 2.842 N/A ALA 112.A N LEU 235.A O no hydrogen 2.861 N/A GLY 113.A N VAL 212.A O no hydrogen 2.770 N/A GLY 114.A N ASN 238.A O no hydrogen 2.706 N/A LEU 115.A N ASP 210.A O no hydrogen 2.708 N/A ASN 116.A N ASP 210.A O no hydrogen 2.878 N/A ASN 116.A ND2 ASP 210.A OD1 no hydrogen 2.937 N/A ARG 117.A NE LEU 115.A O no hydrogen 2.865 N/A ARG 117.A NH1 SER 240.A O no hydrogen 3.289 N/A ARG 117.A NH2 GLY 114.A O no hydrogen 2.983 N/A ARG 117.A NH2 LEU 115.A O no hydrogen 3.153 N/A ARG 117.A NH2 SER 240.A O no hydrogen 2.946 N/A SER 118.A N ASN 116.A OD1 no hydrogen 2.712 N/A SER 118.A OG ASN 116.A OD1 no hydrogen 2.730 N/A LEU 119.A N ASN 116.A O no hydrogen 3.057 N/A LYS 120.A N ASP 123.A OD2 no hydrogen 2.665 N/A LYS 120.A NZ ASP 123.A OD1 no hydrogen 2.996 N/A LYS 120.A NZ ASP 123.A OD2 no hydrogen 3.475 N/A LYS 120.A NZ ASN 180.A O no hydrogen 3.415 N/A GLY 122.A N VAL 236.A O no hydrogen 2.625 N/A ASP 123.A N LYS 120.A O no hydrogen 2.883 N/A PHE 124.A N LEU 181.A O no hydrogen 2.715 N/A VAL 125.A N SER 234.A O no hydrogen 2.696 N/A ILE 126.A N HIS 183.A O no hydrogen 2.695 N/A LEU 127.A N ALA 232.A O no hydrogen 2.755 N/A LYS 128.A N GLY 185.A O no hydrogen 2.910 N/A HIS 130.A N ASP 129.A OD1 no hydrogen 2.904 N/A HIS 130.A ND1 TYR 161.A OH no hydrogen 2.634 N/A ILE 131.A N TYR 187.A O no hydrogen 2.728 N/A LEU 136.A N TYR 132.A O no hydrogen 2.819 N/A GLY 137.A N LEU 133.A O no hydrogen 3.041 N/A GLY 137.A N PRO 134.A O no hydrogen 3.158 N/A LEU 138.A N GLY 135.A O no hydrogen 3.494 N/A ASN 139.A N PRO 134.A O no hydrogen 2.642 N/A ILE 141.A N TYR 132.A OH no hydrogen 2.975 N/A LEU 142.A N ASN 140.A OD1 no hydrogen 2.872 N/A VAL 143.A N ASN 140.A O no hydrogen 2.972 N/A ASN 146.A ND2 GLU 148.A OE2 no hydrogen 2.872 N/A ASN 146.A ND2 GLY 151.A O no hydrogen 2.819 N/A PHE 150.A N GLN 147.A O no hydrogen 3.025 N/A GLY 151.A N GLN 147.A O no hydrogen 3.322 N/A ARG 153.A NE ARG 153.A O no hydrogen 2.921 N/A ARG 153.A NH1 GLY 144.A O no hydrogen 2.687 N/A ARG 153.A NH2 LEU 142.A O no hydrogen 2.838 N/A ARG 153.A NH2 GLY 144.A O no hydrogen 3.091 N/A ALA 160.A N LEU 157.A O no hydrogen 3.286 N/A TYR 161.A OH HIS 130.A ND1 no hydrogen 2.634 N/A ASP 162.A N VAL 230.A O no hydrogen 3.136 N/A ARG 163.A N ASN 159.A OD1 no hydrogen 2.879 N/A LEU 165.A N ASP 162.A OD2 no hydrogen 2.901 N/A ARG 166.A N ASP 162.A O no hydrogen 2.913 N/A ARG 166.A NH1 TYR 161.A O no hydrogen 3.211 N/A LYS 167.A N ARG 163.A O no hydrogen 2.845 N/A LEU 168.A N ASP 164.A O no hydrogen 2.924 N/A ALA 169.A N LEU 165.A O no hydrogen 2.907 N/A VAL 170.A N ARG 166.A O no hydrogen 3.015 N/A GLN 171.A N LYS 167.A O no hydrogen 2.896 N/A VAL 172.A N LEU 168.A O no hydrogen 2.796 N/A ALA 173.A N ALA 169.A O no hydrogen 2.983 N/A GLU 174.A N VAL 170.A O no hydrogen 2.785 N/A GLU 175.A N GLN 171.A O no hydrogen 2.802 N/A ASN 176.A N VAL 172.A O no hydrogen 3.027 N/A ASN 176.A N ALA 173.A O no hydrogen 3.156 N/A GLY 177.A N GLU 174.A O no hydrogen 3.246 N/A PHE 178.A N ALA 173.A O no hydrogen 2.976 N/A LEU 181.A N PHE 178.A O no hydrogen 3.016 N/A VAL 182.A N GLY 179.A O no hydrogen 3.020 N/A HIS 183.A N PHE 124.A O no hydrogen 2.743 N/A HIS 183.A NE2 ASP 123.A OD2 no hydrogen 2.843 N/A GLY 185.A N ILE 126.A O no hydrogen 2.868 N/A VAL 186.A N ASP 210.A OD2 no hydrogen 2.650 N/A TYR 187.A N ASP 129.A O no hydrogen 2.960 N/A TYR 187.A OH SER 215.A O no hydrogen 2.964 N/A VAL 188.A N VAL 211.A O no hydrogen 2.917 N/A MET 189.A N ILE 131.A O no hydrogen 2.997 N/A ASN 190.A N GLY 213.A O no hydrogen 2.721 N/A ASN 190.A ND2 CYS 194.A O no hydrogen 2.919 N/A ASN 190.A ND2 GLU 196.A OE2 no hydrogen 2.733 N/A GLY 192.A N ASN 190.A OD1 no hydrogen 2.817 N/A TYR 195.A OH HIS 252.A ND1 no hydrogen 3.115 N/A THR 197.A N GLU 200.A OE1 no hydrogen 2.740 N/A GLU 200.A N THR 197.A OG1 no hydrogen 2.909 N/A CYS 201.A N THR 197.A O no hydrogen 2.891 N/A CYS 201.A SG GLU 196.A O no hydrogen 3.876 N/A CYS 201.A SG THR 197.A O no hydrogen 3.285 N/A CYS 201.A SG VAL 241.A O no hydrogen 3.785 N/A THR 202.A N PRO 198.A O no hydrogen 2.922 N/A THR 202.A OG1 PRO 198.A O no hydrogen 2.800 N/A MET 203.A N ALA 199.A O no hydrogen 3.052 N/A LEU 204.A N GLU 200.A O no hydrogen 2.787 N/A LEU 205.A N CYS 201.A O no hydrogen 2.765 N/A ASN 206.A N THR 202.A O no hydrogen 2.910 N/A MET 207.A N MET 203.A O no hydrogen 2.837 N/A GLY 208.A N LEU 205.A O no hydrogen 2.834 N/A CYS 209.A N LEU 204.A O no hydrogen 3.003 N/A ASP 210.A N VAL 186.A O no hydrogen 2.852 N/A VAL 211.A N VAL 186.A O no hydrogen 3.191 N/A VAL 212.A N GLY 113.A O no hydrogen 2.928 N/A GLY 213.A N VAL 188.A O no hydrogen 3.084 N/A SER 215.A N TYR 187.A OH no hydrogen 2.952 N/A SER 215.A OG THR 216.A OG1 no hydrogen 2.921 N/A THR 216.A OG1 SER 215.A OG no hydrogen 2.921 N/A ILE 217.A N SER 215.A O no hydrogen 2.756 N/A GLU 219.A N GLU 219.A OE2 no hydrogen 2.987 N/A VAL 220.A N THR 216.A O no hydrogen 2.779 N/A VAL 221.A N ILE 217.A O no hydrogen 2.686 N/A ILE 222.A N PRO 218.A O no hydrogen 3.065 N/A ALA 223.A N GLU 219.A O no hydrogen 2.826 N/A ARG 224.A N VAL 220.A O no hydrogen 2.751 N/A ARG 224.A NH1 ILE 228.A O no hydrogen 2.717 N/A HIS 225.A N VAL 221.A O no hydrogen 2.859 N/A HIS 225.A NE2 ASN 146.A OD1 no hydrogen 2.843 N/A HIS 225.A NE2 THR 152.A O no hydrogen 2.737 N/A CYS 226.A N ILE 222.A O no hydrogen 3.051 N/A CYS 226.A SG ILE 222.A O no hydrogen 3.457 N/A CYS 226.A SG ALA 223.A O no hydrogen 3.551 N/A GLY 227.A N ARG 224.A O no hydrogen 2.910 N/A ILE 228.A N ALA 223.A O no hydrogen 2.843 N/A GLN 229.A N LYS 104.A O no hydrogen 2.830 N/A PHE 231.A N LEU 106.A O no hydrogen 2.681 N/A VAL 233.A N VAL 108.A O no hydrogen 2.857 N/A SER 234.A N VAL 125.A O no hydrogen 2.648 N/A SER 234.A OG ASN 110.A OD1 no hydrogen 2.634 N/A LEU 235.A N ASN 110.A O no hydrogen 2.776 N/A VAL 236.A N ASP 123.A O no hydrogen 2.836 N/A THR 237.A N ALA 112.A O no hydrogen 3.002 N/A THR 237.A OG1 ALA 112.A O no hydrogen 3.262 N/A ASN 238.A ND2 THR 237.A OG1 no hydrogen 3.197 N/A SER 240.A N GLY 114.A O no hydrogen 2.873 N/A SER 240.A OG GLY 114.A O no hydrogen 3.150 N/A GLU 245.A N ASP 243.A OD1 no hydrogen 2.758 N/A HIS 252.A ND1 TYR 195.A OH no hydrogen 3.115 N/A VAL 255.A N ASN 251.A O no hydrogen 2.871 N/A LEU 256.A N HIS 252.A O no hydrogen 2.836 N/A ALA 257.A N GLU 253.A O no hydrogen 2.825 N/A THR 258.A N GLU 254.A O no hydrogen 2.804 N/A THR 258.A OG1 THR 237.A O no hydrogen 3.438 N/A THR 258.A OG1 GLU 254.A O no hydrogen 2.709 N/A GLY 259.A N VAL 255.A O no hydrogen 2.877 N/A ALA 260.A N LEU 256.A O no hydrogen 2.790 N/A GLN 261.A N ALA 257.A O no hydrogen 2.881 N/A ARG 262.A N GLY 259.A O no hydrogen 3.173 N/A ARG 262.A NE GLY 122.A O no hydrogen 2.722 N/A ARG 262.A NH2 GLY 122.A O no hydrogen 3.052 N/A ALA 263.A N ALA 260.A O no hydrogen 3.030 N/A MET 266.A N ARG 262.A O no hydrogen 2.679 N/A GLN 267.A N ALA 263.A O no hydrogen 2.657 N/A SER 268.A N GLU 264.A O no hydrogen 2.861 N/A TRP 269.A N LEU 265.A O no hydrogen 2.758 N/A TRP 269.A NE1 ALA 169.A O no hydrogen 2.808 N/A PHE 270.A N MET 266.A O no hydrogen 2.929 N/A GLU 271.A N GLN 267.A O no hydrogen 2.829 N/A LYS 272.A N SER 268.A O no hydrogen 2.800 N/A ILE 273.A N TRP 269.A O no hydrogen 2.868 N/A ILE 274.A N PHE 270.A O no hydrogen 2.782 N/A GLU 275.A N GLU 271.A O no hydrogen 2.941 N/A LYS 276.A N ILE 273.A O no hydrogen 2.936 N/A LYS 276.A NZ GLU 175.A OE1 no hydrogen 2.661 N/A LYS 276.A NZ GLU 175.A OE2 no hydrogen 3.216 N/A LEU 277.A N ILE 274.A O no hydrogen 3.037 N/A