Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a4i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A NE1 GLU 149.A OE1 no hydrogen 3.050 N/A ARG 5.A N ASP 2.A OD1 no hydrogen 2.956 N/A ARG 5.A NE ASP 2.A OD2 no hydrogen 3.391 N/A PHE 6.A N ASP 2.A O no hydrogen 3.074 N/A VAL 7.A N TRP 3.A O no hydrogen 2.904 N/A GLU 8.A N GLY 4.A O no hydrogen 2.916 N/A GLU 9.A N ARG 5.A O no hydrogen 2.880 N/A LYS 10.A N PHE 6.A O no hydrogen 2.852 N/A LYS 10.A NZ GLU 13.A OE1 no hydrogen 2.758 N/A VAL 11.A N VAL 7.A O no hydrogen 2.846 N/A ARG 12.A N GLU 8.A O no hydrogen 3.116 N/A ARG 12.A NH2 GLU 8.A OE2 no hydrogen 2.584 N/A GLU 13.A N GLU 9.A O no hydrogen 2.901 N/A ILE 14.A N LYS 10.A O no hydrogen 2.826 N/A ARG 15.A N VAL 11.A O no hydrogen 2.870 N/A ARG 15.A NE ALA 43.A O no hydrogen 2.758 N/A ARG 15.A NH1 LYS 42.A O no hydrogen 2.909 N/A GLU 16.A N ARG 12.A O no hydrogen 2.838 N/A THR 17.A N GLU 13.A O no hydrogen 2.909 N/A THR 17.A OG1 GLU 13.A O no hydrogen 2.954 N/A VAL 18.A N ILE 14.A O no hydrogen 2.865 N/A GLY 19.A N ARG 15.A O no hydrogen 2.926 N/A SER 21.A N VAL 18.A O no hydrogen 3.113 N/A SER 21.A OG VAL 18.A O no hydrogen 3.339 N/A SER 21.A OG GLU 122.A OE1 no hydrogen 2.941 N/A SER 21.A OG GLU 122.A OE2 no hydrogen 3.152 N/A LYS 22.A NZ ILE 119.A O no hydrogen 2.785 N/A ALA 23.A N ARG 47.A O no hydrogen 2.961 N/A ILE 24.A N TYR 123.A O no hydrogen 2.951 N/A ILE 25.A N HIS 49.A O no hydrogen 2.967 N/A LEU 27.A N VAL 51.A O no hydrogen 2.809 N/A SER 28.A N SER 33.A OG no hydrogen 3.237 N/A SER 28.A OG SER 33.A OG no hydrogen 2.923 N/A GLY 30.A N SER 28.A OG no hydrogen 2.887 N/A SER 33.A OG SER 28.A OG no hydrogen 2.923 N/A SER 34.A N GLY 30.A O no hydrogen 3.062 N/A SER 34.A OG GLY 30.A O no hydrogen 2.680 N/A THR 35.A N VAL 31.A O no hydrogen 2.959 N/A THR 35.A OG1 VAL 31.A O no hydrogen 2.742 N/A ALA 36.A N ASP 32.A O no hydrogen 3.020 N/A ALA 37.A N SER 33.A O no hydrogen 2.862 N/A VAL 38.A N SER 34.A O no hydrogen 3.033 N/A LEU 39.A N THR 35.A O no hydrogen 3.097 N/A ALA 40.A N ALA 36.A O no hydrogen 3.014 N/A HIS 41.A N ALA 37.A O no hydrogen 2.806 N/A LYS 42.A N VAL 38.A O no hydrogen 2.868 N/A ALA 43.A N LEU 39.A O no hydrogen 2.973 N/A ILE 44.A N ALA 40.A O no hydrogen 2.805 N/A GLY 45.A N HIS 41.A O no hydrogen 2.834 N/A ARG 47.A N ILE 44.A O no hydrogen 3.111 N/A ARG 47.A NH1 SER 21.A O no hydrogen 2.814 N/A LEU 48.A N GLY 45.A O no hydrogen 2.912 N/A HIS 49.A N ALA 23.A O no hydrogen 2.801 N/A HIS 49.A ND1 HIS 79.A NE2 no hydrogen 2.896 N/A ALA 50.A N ASN 77.A O no hydrogen 2.919 N/A VAL 51.A N ILE 25.A O no hydrogen 2.761 N/A PHE 52.A N HIS 79.A O no hydrogen 2.888 N/A ASN 54.A N VAL 81.A O no hydrogen 2.823 N/A PHE 57.A N THR 55.A OG1 no hydrogen 3.060 N/A LYS 60.A NZ GLU 189.A OE1 no hydrogen 3.442 N/A GLU 62.A N ARG 59.A O no hydrogen 3.014 N/A GLU 64.A N GLU 64.A OE2 no hydrogen 2.798 N/A PHE 65.A N GLY 61.A O no hydrogen 3.058 N/A VAL 66.A N GLU 62.A O no hydrogen 2.886 N/A VAL 67.A N PRO 63.A O no hydrogen 2.974 N/A LYS 68.A N GLU 64.A O no hydrogen 2.955 N/A THR 69.A N PHE 65.A O no hydrogen 2.880 N/A THR 69.A OG1 PHE 65.A O no hydrogen 2.888 N/A PHE 70.A N VAL 66.A O no hydrogen 2.914 N/A ARG 71.A N VAL 67.A O no hydrogen 2.750 N/A ARG 71.A NH2 LEU 78.A O no hydrogen 3.361 N/A ASP 72.A N VAL 67.A O no hydrogen 3.336 N/A GLU 73.A N LYS 68.A O no hydrogen 2.942 N/A PHE 74.A N THR 69.A O no hydrogen 2.947 N/A MET 76.A N PHE 70.A O no hydrogen 2.900 N/A ASN 77.A ND2 ASP 46.A O no hydrogen 2.788 N/A HIS 79.A N ALA 50.A O no hydrogen 2.734 N/A HIS 79.A NE2 HIS 49.A ND1 no hydrogen 2.896 N/A TYR 80.A OH ASN 54.A OD1 no hydrogen 2.844 N/A VAL 81.A N PHE 52.A O no hydrogen 2.873 N/A ALA 83.A N ASN 54.A O no hydrogen 3.005 N/A GLN 84.A N ASP 82.A OD2 no hydrogen 3.341 N/A ARG 86.A NH1 GLU 114.A OE1 no hydrogen 3.262 N/A ARG 86.A NH1 GLU 114.A OE2 no hydrogen 3.075 N/A ARG 86.A NH2 GLU 114.A OE2 no hydrogen 2.932 N/A PHE 87.A N ALA 83.A O no hydrogen 3.247 N/A PHE 88.A N GLN 84.A O no hydrogen 2.935 N/A SER 89.A N ASP 85.A O no hydrogen 2.864 N/A ALA 90.A N ARG 86.A O no hydrogen 3.068 N/A LEU 91.A N PHE 87.A O no hydrogen 3.256 N/A LEU 91.A N PHE 88.A O no hydrogen 3.085 N/A LYS 92.A N SER 89.A O no hydrogen 3.298 N/A GLY 93.A N GLU 178.A OE1 no hydrogen 2.789 N/A VAL 94.A N LEU 91.A O no hydrogen 3.069 N/A GLU 99.A N ASP 96.A OD1 no hydrogen 3.013 N/A LYS 100.A N ASP 96.A O no hydrogen 2.886 N/A LYS 100.A NZ ALA 172.A O no hydrogen 2.972 N/A LYS 100.A NZ GLY 177.A O no hydrogen 2.895 N/A LYS 100.A NZ GLU 286.A OE1 no hydrogen 2.617 N/A ARG 101.A N PRO 97.A O no hydrogen 3.014 N/A ARG 101.A NE GLU 286.A OXT no hydrogen 2.923 N/A ARG 101.A NH2 GLU 286.A O no hydrogen 2.942 N/A LYS 102.A N GLU 98.A O no hydrogen 2.942 N/A ILE 103.A N GLU 99.A O no hydrogen 2.896 N/A ILE 104.A N LYS 100.A O no hydrogen 3.007 N/A GLY 105.A N ARG 101.A O no hydrogen 2.981 N/A ARG 106.A N LYS 102.A O no hydrogen 3.026 N/A VAL 107.A N ILE 103.A O no hydrogen 2.901 N/A PHE 108.A N ILE 104.A O no hydrogen 2.906 N/A ILE 109.A N GLY 105.A O no hydrogen 3.069 N/A GLU 110.A N ARG 106.A O no hydrogen 2.915 N/A VAL 111.A N VAL 107.A O no hydrogen 2.922 N/A PHE 112.A N PHE 108.A O no hydrogen 2.818 N/A GLU 113.A N ILE 109.A O no hydrogen 2.774 N/A GLU 114.A N GLU 110.A O no hydrogen 3.019 N/A VAL 115.A N VAL 111.A O no hydrogen 3.143 N/A ALA 116.A N PHE 112.A O no hydrogen 2.828 N/A LYS 117.A N GLU 113.A O no hydrogen 2.936 N/A ILE 119.A N VAL 115.A O no hydrogen 3.100 N/A GLY 120.A N ALA 116.A O no hydrogen 2.953 N/A GLU 122.A N LYS 22.A O no hydrogen 2.964 N/A LEU 124.A N LYS 134.A O no hydrogen 2.783 N/A ILE 125.A N ILE 24.A O no hydrogen 2.803 N/A GLN 126.A N ILE 136.A O no hydrogen 2.943 N/A THR 128.A OG1 GLU 137.A OE2 no hydrogen 2.662 N/A ALA 130.A N LEU 142.A O no hydrogen 2.802 N/A LYS 134.A N GLU 122.A O no hydrogen 3.068 N/A LYS 134.A NZ TYR 123.A OH no hydrogen 3.363 N/A ILE 136.A N LEU 124.A O no hydrogen 2.764 N/A ARG 140.A N GLU 137.A O no hydrogen 3.218 N/A LEU 142.A N LEU 139.A O no hydrogen 2.940 N/A TYR 143.A N GLU 146.A OE1 no hydrogen 2.954 N/A LYS 144.A NZ ASP 32.A OD1 no hydrogen 2.978 N/A LYS 144.A NZ ASP 32.A OD2 no hydrogen 3.200 N/A VAL 147.A N TYR 143.A O no hydrogen 2.897 N/A ARG 148.A N LYS 144.A O no hydrogen 3.232 N/A ARG 148.A NH2 TYR 161.A O no hydrogen 3.095 N/A GLU 149.A N ASP 145.A O no hydrogen 3.256 N/A LEU 150.A N GLU 146.A O no hydrogen 2.947 N/A ALA 151.A N VAL 147.A O no hydrogen 2.834 N/A LYS 152.A N ARG 148.A O no hydrogen 3.113 N/A PHE 153.A N GLU 149.A O no hydrogen 3.007 N/A LEU 154.A N LEU 150.A O no hydrogen 2.862 N/A GLY 155.A N LYS 152.A O no hydrogen 2.998 N/A LEU 156.A N ALA 151.A O no hydrogen 3.081 N/A ILE 160.A N PRO 157.A O no hydrogen 2.886 N/A TYR 161.A N PRO 157.A O no hydrogen 3.098 N/A ASN 162.A N GLU 158.A O no hydrogen 2.907 N/A ASN 162.A ND2 GLU 158.A OE1 no hydrogen 3.278 N/A ARG 163.A N ILE 160.A O no hydrogen 3.064 N/A ARG 163.A NH1 GLU 62.A OE2 no hydrogen 3.472 N/A GLY 170.A N PRO 167.A O no hydrogen 2.871 N/A LEU 171.A N PHE 57.A O no hydrogen 2.810 N/A ALA 172.A N PRO 169.A O no hydrogen 3.148 N/A VAL 173.A N GLY 170.A O no hydrogen 3.290 N/A ARG 174.A N LEU 171.A O no hydrogen 2.845 N/A ARG 174.A NE GLU 284.A OE2 no hydrogen 2.952 N/A ARG 174.A NH1 GLU 284.A OE1 no hydrogen 2.909 N/A ILE 176.A N LEU 212.A O no hydrogen 2.922 N/A GLY 177.A N GLU 286.A OE2 no hydrogen 3.162 N/A LYS 183.A N THR 180.A OG1 no hydrogen 3.310 N/A LYS 183.A NZ GLU 178.A O no hydrogen 2.920 N/A ILE 184.A N THR 180.A O no hydrogen 2.948 N/A ARG 185.A N PRO 181.A O no hydrogen 2.803 N/A ARG 185.A NE GLU 182.A OE1 no hydrogen 2.875 N/A ARG 185.A NH2 GLU 182.A OE1 no hydrogen 3.332 N/A ARG 185.A NH2 GLU 182.A OE2 no hydrogen 2.821 N/A ILE 186.A N GLU 182.A O no hydrogen 2.980 N/A VAL 187.A N LYS 183.A O no hydrogen 2.932 N/A ARG 188.A N ILE 184.A O no hydrogen 2.795 N/A ARG 188.A NE LEU 58.A O no hydrogen 2.916 N/A ARG 188.A NH2 GLY 56.A O no hydrogen 2.824 N/A ARG 188.A NH2 LEU 58.A O no hydrogen 2.934 N/A GLU 189.A N ARG 185.A O no hydrogen 3.112 N/A ALA 190.A N ILE 186.A O no hydrogen 3.044 N/A ASN 191.A N VAL 187.A O no hydrogen 2.768 N/A ALA 192.A N ARG 188.A O no hydrogen 3.042 N/A ILE 193.A N GLU 189.A O no hydrogen 3.114 N/A VAL 194.A N ALA 190.A O no hydrogen 2.986 N/A GLU 195.A N ASN 191.A O no hydrogen 2.920 N/A GLU 196.A N ALA 192.A O no hydrogen 2.805 N/A GLU 197.A N ILE 193.A O no hydrogen 2.919 N/A VAL 198.A N VAL 194.A O no hydrogen 3.015 N/A GLU 199.A N GLU 195.A O no hydrogen 3.006 N/A ARG 200.A N GLU 196.A O no hydrogen 2.870 N/A ARG 200.A NE GLU 197.A OE1 no hydrogen 2.856 N/A ARG 200.A NE GLU 197.A OE2 no hydrogen 3.426 N/A ARG 200.A NH2 GLU 197.A OE2 no hydrogen 2.812 N/A ALA 201.A N GLU 197.A O no hydrogen 3.077 N/A GLY 202.A N GLU 199.A O no hydrogen 3.022 N/A LEU 203.A N VAL 198.A O no hydrogen 3.040 N/A TRP 206.A N VAL 236.A O no hydrogen 2.867 N/A GLN 207.A N VAL 236.A O no hydrogen 3.427 N/A GLN 207.A NE2 PRO 165.A O no hydrogen 3.114 N/A PHE 209.A N ARG 234.A O no hydrogen 2.809 N/A ALA 210.A N ASN 191.A OD1 no hydrogen 3.221 N/A VAL 211.A N ALA 232.A O no hydrogen 2.727 N/A LEU 212.A N ARG 174.A O no hydrogen 2.866 N/A LEU 213.A N THR 230.A O no hydrogen 2.924 N/A GLY 214.A N GLU 229.A OE1 no hydrogen 3.025 N/A LYS 216.A NZ GLU 229.A OE2 no hydrogen 2.819 N/A THR 217.A N LYS 228.A O no hydrogen 2.864 N/A GLY 219.A N ALA 226.A O no hydrogen 2.764 N/A GLN 221.A N ILE 224.A O no hydrogen 2.874 N/A ILE 224.A N GLN 221.A O no hydrogen 3.401 N/A ALA 226.A N GLY 219.A O no hydrogen 2.811 N/A LYS 228.A N THR 217.A O no hydrogen 2.778 N/A LYS 228.A NZ VAL 220.A O no hydrogen 2.686 N/A GLU 229.A N GLU 267.A O no hydrogen 2.777 N/A THR 230.A N GLU 229.A OE1 no hydrogen 2.931 N/A THR 230.A OG1 VAL 215.A O no hydrogen 2.743 N/A ILE 231.A N ARG 270.A O no hydrogen 2.944 N/A ALA 232.A N VAL 211.A O no hydrogen 2.805 N/A VAL 233.A N LEU 272.A O no hydrogen 2.693 N/A ARG 234.A N PHE 209.A O no hydrogen 2.852 N/A ARG 234.A NE ILE 283.A O no hydrogen 2.978 N/A ARG 234.A NH1 THR 276.A O no hydrogen 2.896 N/A ARG 234.A NH2 THR 276.A O no hydrogen 2.961 N/A ARG 234.A NH2 THR 282.A O no hydrogen 3.047 N/A VAL 236.A N GLN 207.A O no hydrogen 2.968 N/A GLU 237.A N ASN 245.A O no hydrogen 2.900 N/A SER 238.A OG THR 243.A O no hydrogen 2.540 N/A GLY 241.A N SER 238.A OG no hydrogen 2.758 N/A MET 242.A N ASP 240.A OD1 no hydrogen 3.125 N/A ALA 244.A N LYS 278.A O no hydrogen 2.894 N/A ASN 245.A N GLU 237.A O no hydrogen 2.966 N/A ASN 245.A ND2 GLU 237.A OE1 no hydrogen 2.763 N/A ASN 245.A ND2 ALA 246.A O no hydrogen 3.209 N/A ALA 246.A N ASN 277.A OD1 no hydrogen 2.941 N/A MET 247.A N ILE 235.A O no hydrogen 2.940 N/A VAL 253.A N PRO 250.A O no hydrogen 2.900 N/A LEU 254.A N PRO 250.A O no hydrogen 3.149 N/A GLN 255.A N TRP 251.A O no hydrogen 2.787 N/A ARG 256.A N GLU 252.A O no hydrogen 2.996 N/A ILE 257.A N VAL 253.A O no hydrogen 2.973 N/A ALA 258.A N LEU 254.A O no hydrogen 2.877 N/A PHE 259.A N GLN 255.A O no hydrogen 2.850 N/A ARG 260.A N ARG 256.A O no hydrogen 2.852 N/A ARG 260.A NE GLU 264.A OE2 no hydrogen 2.778 N/A ARG 260.A NH1 GLU 196.A OE1 no hydrogen 2.989 N/A ARG 260.A NH1 GLU 264.A OE1 no hydrogen 2.937 N/A ARG 260.A NH2 GLU 196.A OE1 no hydrogen 2.836 N/A ARG 260.A NH2 GLU 197.A OE2 no hydrogen 2.891 N/A ILE 261.A N ILE 257.A O no hydrogen 2.938 N/A THR 262.A N ALA 258.A O no hydrogen 3.157 N/A THR 262.A OG1 ALA 258.A O no hydrogen 3.005 N/A THR 262.A OG1 PHE 259.A O no hydrogen 3.395 N/A SER 263.A N PHE 259.A O no hydrogen 2.943 N/A SER 263.A OG PHE 259.A O no hydrogen 2.725 N/A SER 263.A OG ARG 260.A O no hydrogen 3.290 N/A GLU 264.A N ARG 260.A O no hydrogen 2.751 N/A ILE 265.A N ILE 261.A O no hydrogen 2.923 N/A GLU 267.A N GLU 267.A OE2 no hydrogen 2.903 N/A VAL 268.A N ILE 265.A O no hydrogen 2.858 N/A GLY 269.A N GLU 229.A O no hydrogen 2.862 N/A ARG 270.A N GLU 229.A O no hydrogen 3.339 N/A ARG 270.A NH2 THR 217.A OG1 no hydrogen 2.941 N/A LEU 272.A N ILE 231.A O no hydrogen 2.854 N/A TYR 273.A OH ILE 235.A O no hydrogen 3.174 N/A TYR 273.A OH MET 247.A O no hydrogen 2.558 N/A ASP 274.A N VAL 233.A O no hydrogen 2.929 N/A THR 276.A N ASP 274.A OD1 no hydrogen 2.883 N/A THR 276.A OG1 ASP 274.A OD1 no hydrogen 2.764 N/A LYS 278.A N ALA 244.A O no hydrogen 2.793 N/A LYS 278.A NZ GLY 241.A O no hydrogen 2.668 N/A ALA 281.A N ASN 277.A O no hydrogen 2.988 N/A THR 282.A OG1 GLU 284.A O no hydrogen 2.665 N/A