Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5d3f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N LYS 2.A O no hydrogen 3.242 N/A GLN 7.A N ASN 3.A O no hydrogen 3.426 N/A LYS 8.A N GLU 4.A O no hydrogen 2.752 N/A ALA 9.A N LEU 5.A O no hydrogen 2.586 N/A LYS 10.A N VAL 6.A O no hydrogen 3.255 N/A LEU 11.A N GLN 7.A O no hydrogen 3.370 N/A ALA 12.A N LYS 8.A O no hydrogen 3.180 N/A GLU 13.A N ALA 9.A O no hydrogen 2.902 N/A GLN 14.A N LYS 10.A O no hydrogen 3.149 N/A ALA 15.A N LEU 11.A O no hydrogen 2.933 N/A GLU 16.A N GLU 13.A O no hydrogen 3.258 N/A ARG 17.A N ALA 12.A O no hydrogen 2.935 N/A ARG 17.A NE ASP 20.A OD2 no hydrogen 3.014 N/A ARG 17.A NH2 ASP 20.A OD2 no hydrogen 3.022 N/A MET 21.A N ARG 17.A O no hydrogen 3.278 N/A ALA 22.A N TYR 18.A O no hydrogen 2.941 N/A ALA 23.A N ASP 19.A O no hydrogen 2.904 N/A CYS 24.A N ASP 20.A O no hydrogen 2.979 N/A CYS 24.A SG ASP 20.A O no hydrogen 3.770 N/A MET 25.A N MET 21.A O no hydrogen 2.957 N/A LYS 26.A N ALA 22.A O no hydrogen 2.738 N/A SER 27.A N ALA 23.A O no hydrogen 3.205 N/A VAL 28.A N CYS 24.A O no hydrogen 3.123 N/A THR 29.A N MET 25.A O no hydrogen 3.230 N/A THR 29.A OG1 MET 25.A O no hydrogen 3.027 N/A GLU 30.A N LYS 26.A O no hydrogen 2.883 N/A GLY 32.A N THR 29.A O no hydrogen 3.020 N/A SER 36.A N GLU 39.A OE1 no hydrogen 2.380 N/A GLU 38.A N SER 36.A OG no hydrogen 3.195 N/A ARG 40.A N SER 36.A O no hydrogen 2.725 N/A ARG 40.A NH1 SER 106.A OG no hydrogen 3.075 N/A ASN 41.A N ASN 37.A O no hydrogen 3.093 N/A LEU 42.A N GLU 38.A O no hydrogen 3.289 N/A LEU 43.A N GLU 39.A O no hydrogen 3.031 N/A SER 44.A N ARG 40.A O no hydrogen 2.802 N/A SER 44.A OG ARG 40.A O no hydrogen 3.049 N/A VAL 45.A N ASN 41.A O no hydrogen 2.710 N/A ALA 46.A N LEU 42.A O no hydrogen 3.251 N/A TYR 47.A N LEU 43.A O no hydrogen 3.164 N/A TYR 47.A OH ASP 88.A OD2 no hydrogen 3.072 N/A LYS 48.A N SER 44.A O no hydrogen 2.819 N/A ASN 49.A N VAL 45.A O no hydrogen 3.184 N/A ASN 49.A ND2 VAL 45.A O no hydrogen 2.865 N/A VAL 50.A N ALA 46.A O no hydrogen 3.166 N/A VAL 51.A N TYR 47.A O no hydrogen 3.088 N/A GLY 52.A N LYS 48.A O no hydrogen 2.748 N/A ALA 53.A N ASN 49.A O no hydrogen 3.177 N/A ARG 54.A N VAL 51.A O no hydrogen 3.095 N/A ARG 54.A NE GLU 81.A OE1 no hydrogen 2.896 N/A ARG 55.A N VAL 51.A O no hydrogen 3.110 N/A ARG 55.A NE GLU 123.A OE1 no hydrogen 3.137 N/A ARG 55.A NH2 GLU 123.A OE2 no hydrogen 3.522 N/A SER 56.A N GLY 52.A O no hydrogen 3.102 N/A SER 56.A OG GLY 52.A O no hydrogen 2.955 N/A SER 57.A N ALA 53.A O no hydrogen 3.274 N/A SER 57.A OG ALA 53.A O no hydrogen 2.984 N/A TRP 58.A N ARG 54.A O no hydrogen 2.693 N/A TRP 58.A NE1 GLU 79.A OE2 no hydrogen 2.714 N/A ARG 59.A N ARG 55.A O no hydrogen 2.802 N/A VAL 60.A N SER 56.A O no hydrogen 2.970 N/A VAL 61.A N SER 57.A O no hydrogen 2.844 N/A SER 62.A N TRP 58.A O no hydrogen 2.801 N/A SER 63.A N ARG 59.A O no hydrogen 2.979 N/A SER 63.A OG VAL 60.A O no hydrogen 2.863 N/A ILE 64.A N VAL 60.A O no hydrogen 3.280 N/A GLU 65.A N VAL 61.A O no hydrogen 2.742 N/A GLN 66.A N SER 62.A O no hydrogen 3.329 N/A GLN 66.A NE2 SER 62.A O no hydrogen 3.302 N/A LYS 67.A N SER 63.A O no hydrogen 3.516 N/A ARG 72.A N GLN 68.A O no hydrogen 3.387 N/A ARG 72.A NH1 GLU 76.A OE2 no hydrogen 3.382 N/A GLU 73.A N GLN 69.A O no hydrogen 3.030 N/A TYR 74.A N MET 70.A O no hydrogen 3.146 N/A ARG 75.A N ALA 71.A O no hydrogen 3.052 N/A GLU 76.A N ARG 72.A O no hydrogen 2.913 N/A LYS 77.A N GLU 73.A O no hydrogen 2.793 N/A ILE 78.A N TYR 74.A O no hydrogen 3.071 N/A GLU 79.A N ARG 75.A O no hydrogen 2.996 N/A THR 80.A N GLU 76.A O no hydrogen 3.191 N/A THR 80.A OG1 GLU 76.A O no hydrogen 2.650 N/A LEU 82.A N ILE 78.A O no hydrogen 2.967 N/A ARG 83.A N GLU 79.A O no hydrogen 2.935 N/A ARG 83.A NH2 GLU 79.A OE1 no hydrogen 3.113 N/A ASP 84.A N THR 80.A O no hydrogen 3.057 N/A ILE 85.A N GLU 81.A O no hydrogen 3.067 N/A CYS 86.A N LEU 82.A O no hydrogen 3.066 N/A CYS 86.A SG LEU 82.A O no hydrogen 3.278 N/A CYS 86.A SG TYR 117.A O no hydrogen 3.690 N/A ASN 87.A N ARG 83.A O no hydrogen 2.943 N/A ASP 88.A N ASP 84.A O no hydrogen 2.849 N/A VAL 89.A N ILE 85.A O no hydrogen 3.082 N/A LEU 90.A N CYS 86.A O no hydrogen 2.856 N/A SER 91.A N ASN 87.A O no hydrogen 2.699 N/A SER 91.A OG ASN 87.A O no hydrogen 2.981 N/A SER 91.A OG ASP 88.A O no hydrogen 2.721 N/A LEU 92.A N ASP 88.A O no hydrogen 3.196 N/A LEU 93.A N VAL 89.A O no hydrogen 2.829 N/A GLU 94.A N LEU 90.A O no hydrogen 2.938 N/A LYS 95.A N SER 91.A O no hydrogen 2.606 N/A PHE 96.A N LEU 92.A O no hydrogen 2.777 N/A LEU 97.A N LEU 92.A O no hydrogen 3.003 N/A ILE 98.A N LEU 93.A O no hydrogen 2.915 N/A ASN 100.A ND2 GLY 32.A O no hydrogen 2.216 N/A ALA 101.A N ILE 98.A O no hydrogen 3.303 N/A SER 102.A OG ASN 100.A O no hydrogen 3.212 N/A LYS 107.A N GLN 103.A O no hydrogen 3.009 N/A VAL 108.A N ALA 104.A O no hydrogen 2.876 N/A PHE 109.A N GLU 105.A O no hydrogen 3.196 N/A TYR 110.A N SER 106.A O no hydrogen 3.073 N/A LEU 111.A N LYS 107.A O no hydrogen 3.160 N/A LYS 112.A N VAL 108.A O no hydrogen 2.695 N/A LYS 112.A NZ ASP 116.A OD2 no hydrogen 2.686 N/A MET 113.A N PHE 109.A O no hydrogen 2.999 N/A LYS 114.A N TYR 110.A O no hydrogen 3.012 N/A LYS 114.A NZ GLU 94.A OE2 no hydrogen 2.669 N/A GLY 115.A N LEU 111.A O no hydrogen 2.920 N/A ASP 116.A N LYS 112.A O no hydrogen 2.839 N/A TYR 117.A N MET 113.A O no hydrogen 2.658 N/A TYR 118.A N LYS 114.A O no hydrogen 2.979 N/A ARG 119.A N GLY 115.A O no hydrogen 2.630 N/A ARG 119.A NE TYR 141.A OH no hydrogen 2.711 N/A ARG 119.A NH2 ASP 116.A OD1 no hydrogen 2.794 N/A TYR 120.A N ASP 116.A O no hydrogen 2.997 N/A LEU 121.A N TYR 117.A O no hydrogen 3.322 N/A ALA 122.A N TYR 118.A O no hydrogen 3.036 N/A GLU 123.A N TYR 120.A O no hydrogen 3.374 N/A VAL 124.A N LEU 121.A O no hydrogen 3.093 N/A LYS 130.A N GLY 127.A O no hydrogen 3.409 N/A ILE 133.A N ASP 129.A O no hydrogen 3.378 N/A VAL 134.A N LYS 130.A O no hydrogen 2.917 N/A ASP 135.A N LYS 131.A O no hydrogen 3.226 N/A GLN 136.A N GLY 132.A O no hydrogen 3.476 N/A SER 137.A N ILE 133.A O no hydrogen 3.421 N/A SER 137.A OG GLY 115.A O no hydrogen 3.084 N/A GLN 138.A N VAL 134.A O no hydrogen 3.056 N/A GLN 139.A N ASP 135.A O no hydrogen 2.881 N/A ALA 140.A N GLN 136.A O no hydrogen 3.056 N/A TYR 141.A N SER 137.A O no hydrogen 2.946 N/A TYR 141.A OH ASP 116.A OD1 no hydrogen 2.673 N/A GLN 142.A N GLN 138.A O no hydrogen 2.737 N/A GLU 143.A N GLN 139.A O no hydrogen 3.062 N/A ALA 144.A N ALA 140.A O no hydrogen 3.262 N/A PHE 145.A N TYR 141.A O no hydrogen 2.705 N/A GLU 146.A N GLN 142.A O no hydrogen 2.936 N/A ILE 147.A N GLU 143.A O no hydrogen 3.141 N/A SER 148.A N ALA 144.A O no hydrogen 2.987 N/A LYS 149.A N PHE 145.A O no hydrogen 3.251 N/A LYS 150.A N GLU 146.A O no hydrogen 3.224 N/A LYS 150.A N ILE 147.A O no hydrogen 3.040 N/A GLU 151.A N ILE 147.A O no hydrogen 3.004 N/A GLU 151.A N SER 148.A O no hydrogen 3.268 N/A MET 152.A N SER 148.A O no hydrogen 2.915 N/A HIS 156.A N GLN 153.A O no hydrogen 2.813 N/A ILE 158.A N HIS 156.A ND1 no hydrogen 2.923 N/A ARG 159.A NH1 SER 148.A O no hydrogen 3.448 N/A LEU 160.A N HIS 156.A O no hydrogen 2.846 N/A GLY 161.A N PRO 157.A O no hydrogen 2.800 N/A LEU 162.A N ILE 158.A O no hydrogen 2.746 N/A ALA 163.A N ARG 159.A O no hydrogen 2.934 N/A LEU 164.A N LEU 160.A O no hydrogen 3.104 N/A ASN 165.A N GLY 161.A O no hydrogen 3.176 N/A ASN 165.A ND2 ASP 116.A OD1 no hydrogen 2.672 N/A ASN 165.A ND2 ASP 116.A OD2 no hydrogen 3.037 N/A PHE 166.A N LEU 162.A O no hydrogen 2.863 N/A SER 167.A N ALA 163.A O no hydrogen 2.825 N/A SER 167.A OG LEU 164.A O no hydrogen 2.930 N/A VAL 168.A N LEU 164.A O no hydrogen 3.250 N/A PHE 169.A N ASN 165.A O no hydrogen 3.120 N/A TYR 170.A N PHE 166.A O no hydrogen 3.310 N/A TYR 171.A N SER 167.A O no hydrogen 2.968 N/A GLU 172.A N VAL 168.A O no hydrogen 2.742 N/A ILE 173.A N PHE 169.A O no hydrogen 2.877 N/A LEU 174.A N PHE 169.A O no hydrogen 3.089 N/A SER 176.A N TYR 170.A O no hydrogen 2.870 N/A SER 176.A OG LEU 174.A O no hydrogen 3.528 N/A ALA 180.A N SER 176.A O no hydrogen 3.171 N/A CYS 181.A N PRO 177.A O no hydrogen 2.947 N/A CYS 181.A SG PRO 177.A O no hydrogen 3.476 N/A SER 182.A N GLU 178.A O no hydrogen 2.960 N/A LEU 183.A N LYS 179.A O no hydrogen 3.092 N/A ALA 184.A N ALA 180.A O no hydrogen 3.184 N/A LYS 185.A N CYS 181.A O no hydrogen 2.977 N/A THR 186.A N SER 182.A O no hydrogen 3.256 N/A THR 186.A OG1 SER 182.A O no hydrogen 2.636 N/A ALA 187.A N LEU 183.A O no hydrogen 3.036 N/A PHE 188.A N ALA 184.A O no hydrogen 2.925 N/A ASP 189.A N LYS 185.A O no hydrogen 2.787 N/A GLU 190.A N THR 186.A O no hydrogen 3.158 N/A ILE 192.A N PHE 188.A O no hydrogen 3.174 N/A GLU 194.A N GLU 190.A O no hydrogen 3.015 N/A LEU 195.A N ILE 192.A O no hydrogen 3.144 N/A ASP 196.A N GLU 194.A O no hydrogen 2.608 N/A THR 197.A N GLU 194.A O no hydrogen 3.206 N/A THR 197.A OG1 GLU 194.A O no hydrogen 3.567 N/A SER 199.A OG SER 202.A OG no hydrogen 2.972 N/A SER 202.A OG SER 199.A OG no hydrogen 2.972 N/A TYR 203.A N SER 199.A O no hydrogen 2.926 N/A LYS 204.A N GLU 200.A O no hydrogen 3.072 N/A LYS 204.A N GLU 201.A O no hydrogen 2.789 N/A ASP 205.A N GLU 201.A O no hydrogen 3.147 N/A SER 206.A N SER 202.A O no hydrogen 2.940 N/A SER 206.A OG THR 155.A O no hydrogen 2.682 N/A SER 206.A OG SER 202.A O no hydrogen 3.112 N/A THR 207.A N TYR 203.A O no hydrogen 2.751 N/A LEU 208.A N LYS 204.A O no hydrogen 3.138 N/A ILE 209.A N ASP 205.A O no hydrogen 3.399 N/A MET 210.A N SER 206.A O no hydrogen 2.830 N/A GLN 211.A N THR 207.A O no hydrogen 2.905 N/A GLN 211.A NE2 ASP 215.A OD1 no hydrogen 3.569 N/A LEU 212.A N ILE 209.A O no hydrogen 2.925 N/A LEU 213.A N ILE 209.A O no hydrogen 3.062 N/A ARG 214.A N MET 210.A O no hydrogen 3.124 N/A ASP 215.A N GLN 211.A O no hydrogen 3.060 N/A ASN 216.A N LEU 212.A O no hydrogen 3.234 N/A LEU 217.A N LEU 213.A O no hydrogen 3.162 N/A THR 218.A N ARG 214.A O no hydrogen 2.747 N/A THR 218.A OG1 ARG 214.A O no hydrogen 2.804 N/A LEU 219.A N ASP 215.A O no hydrogen 3.118 N/A TRP 220.A N ASN 216.A O no hydrogen 2.448 N/A THR 221.A N LEU 217.A O no hydrogen 2.754 N/A THR 221.A N THR 218.A O no hydrogen 3.315 N/A THR 221.A OG1 LEU 217.A O no hydrogen 2.680 N/A