Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a4n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N ASN 99.A O no hydrogen 2.994 N/A ILE 6.A N VAL 74.A O no hydrogen 2.692 N/A ILE 7.A N ALA 101.A O no hydrogen 2.949 N/A LEU 8.A N VAL 76.A O no hydrogen 3.150 N/A THR 9.A N ILE 103.A O no hydrogen 3.214 N/A THR 9.A OG1 THR 79.A O no hydrogen 3.164 N/A THR 9.A OG1 ASN 80.A O no hydrogen 3.092 N/A GLY 10.A N THR 79.A O no hydrogen 3.066 N/A VAL 14.A N LEU 11.A O no hydrogen 3.150 N/A LYS 16.A NZ GLY 10.A O no hydrogen 2.942 N/A LYS 16.A NZ LEU 11.A O no hydrogen 3.239 N/A SER 17.A OG ASP 77.A OD1 no hydrogen 2.903 N/A PHE 19.A N GLY 15.A O no hydrogen 3.077 N/A SER 20.A N LYS 16.A O no hydrogen 2.962 N/A SER 20.A OG LYS 16.A O no hydrogen 3.042 N/A LYS 21.A N SER 17.A O no hydrogen 2.959 N/A ASN 22.A N THR 18.A O no hydrogen 3.080 N/A LEU 23.A N PHE 19.A O no hydrogen 2.871 N/A ALA 24.A N SER 20.A O no hydrogen 2.803 N/A LYS 25.A N LYS 21.A O no hydrogen 3.180 N/A ILE 26.A N ASN 22.A O no hydrogen 2.980 N/A LEU 27.A N LEU 23.A O no hydrogen 2.859 N/A SER 28.A N ALA 24.A O no hydrogen 2.807 N/A SER 28.A OG ALA 24.A O no hydrogen 3.524 N/A SER 28.A OG LYS 25.A O no hydrogen 3.003 N/A LYS 29.A N LYS 25.A O no hydrogen 2.730 N/A ASN 30.A N ILE 26.A O no hydrogen 3.166 N/A ASN 31.A N SER 28.A O no hydrogen 2.923 N/A ILE 32.A N LEU 27.A O no hydrogen 2.846 N/A ILE 35.A N TRP 73.A O no hydrogen 3.036 N/A LEU 37.A N ILE 75.A O no hydrogen 2.971 N/A SER 39.A N ASP 78.A OD1 no hydrogen 3.122 N/A SER 39.A N ASP 78.A OD2 no hydrogen 2.874 N/A SER 39.A OG ASP 78.A OD1 no hydrogen 2.650 N/A LEU 41.A N GLY 38.A O no hydrogen 3.064 N/A ARG 43.A N SER 39.A O no hydrogen 2.923 N/A ARG 43.A NE GLU 54.A OE2 no hydrogen 2.787 N/A ARG 43.A NH1 SER 39.A OG no hydrogen 2.845 N/A ARG 43.A NH1 ASP 40.A OD2 no hydrogen 2.985 N/A ARG 43.A NH2 GLU 54.A OE1 no hydrogen 2.950 N/A ARG 43.A NH2 GLU 54.A OE2 no hydrogen 3.317 N/A GLU 44.A N ASP 40.A O no hydrogen 2.987 N/A SER 45.A N ILE 42.A O no hydrogen 3.044 N/A SER 45.A OG LEU 41.A O no hydrogen 2.984 N/A TRP 49.A NE1 GLU 54.A OE2 no hydrogen 2.706 N/A TYR 53.A N LYS 50.A O no hydrogen 2.939 N/A GLU 54.A N GLU 51.A O no hydrogen 3.367 N/A ILE 57.A N TYR 53.A O no hydrogen 3.060 N/A LYS 58.A N GLU 54.A O no hydrogen 2.844 N/A LYS 59.A N GLU 55.A O no hydrogen 3.005 N/A SER 60.A N PHE 56.A O no hydrogen 2.877 N/A SER 60.A OG PHE 56.A O no hydrogen 2.677 N/A THR 61.A N ILE 57.A O no hydrogen 3.084 N/A THR 61.A OG1 ILE 57.A O no hydrogen 2.780 N/A TYR 62.A N LYS 58.A O no hydrogen 3.212 N/A TYR 62.A OH ASP 88.A OD2 no hydrogen 2.704 N/A ARG 63.A N LYS 59.A O no hydrogen 2.894 N/A LEU 64.A N SER 60.A O no hydrogen 2.883 N/A ILE 65.A N THR 61.A O no hydrogen 2.972 N/A ASP 66.A N TYR 62.A O no hydrogen 2.827 N/A SER 67.A N ARG 63.A O no hydrogen 3.098 N/A ALA 68.A N LEU 64.A O no hydrogen 2.721 N/A LEU 69.A N ILE 65.A O no hydrogen 2.696 N/A LYS 70.A NZ TYR 96.A OH no hydrogen 3.301 N/A ASN 71.A N ALA 68.A O no hydrogen 2.753 N/A TYR 72.A N ALA 68.A O no hydrogen 2.803 N/A TRP 73.A N ASP 33.A O no hydrogen 2.890 N/A TRP 73.A NE1 ASP 2.A O no hydrogen 2.678 N/A VAL 74.A N MET 4.A O no hydrogen 3.218 N/A ILE 75.A N ILE 35.A O no hydrogen 2.877 N/A VAL 76.A N ILE 6.A O no hydrogen 2.707 N/A ASP 77.A N LEU 37.A O no hydrogen 2.787 N/A ASN 80.A ND2 LEU 8.A O no hydrogen 2.755 N/A TYR 81.A OH MET 131.A O no hydrogen 2.760 N/A TYR 82.A OH ASP 183.A OD1 no hydrogen 2.735 N/A SER 84.A OG ASP 180.A OD2 no hydrogen 2.810 N/A MET 85.A N TYR 82.A O no hydrogen 2.973 N/A ARG 86.A N TYR 82.A O no hydrogen 3.365 N/A ARG 86.A NE ASP 145.A OD1 no hydrogen 2.757 N/A ARG 86.A NH1 ASN 80.A O no hydrogen 2.885 N/A ARG 86.A NH1 TYR 81.A O no hydrogen 3.435 N/A ARG 86.A NH2 ASP 145.A OD2 no hydrogen 2.956 N/A ARG 87.A N ASN 83.A O no hydrogen 2.814 N/A ASP 88.A N SER 84.A O no hydrogen 2.986 N/A LEU 89.A N MET 85.A O no hydrogen 3.135 N/A ILE 90.A N ARG 86.A O no hydrogen 2.975 N/A ASN 91.A N ARG 87.A O no hydrogen 2.856 N/A ILE 92.A N ASP 88.A O no hydrogen 3.218 N/A ILE 92.A N LEU 89.A O no hydrogen 2.888 N/A ALA 93.A N LEU 89.A O no hydrogen 3.323 N/A LYS 94.A N ILE 90.A O no hydrogen 2.829 N/A LYS 94.A NZ ASN 91.A OD1 no hydrogen 3.281 N/A LYS 95.A N ASN 91.A O no hydrogen 3.004 N/A LYS 95.A NZ ASP 66.A OD2 no hydrogen 2.887 N/A LYS 95.A NZ TYR 96.A OH no hydrogen 3.400 N/A TYR 96.A N ALA 93.A O no hydrogen 3.204 N/A TYR 96.A OH ASP 66.A OD1 no hydrogen 2.569 N/A TYR 96.A OH ASP 66.A OD2 no hydrogen 3.165 N/A ASN 97.A N LYS 94.A O no hydrogen 3.028 N/A LYS 98.A N ALA 93.A O no hydrogen 2.892 N/A ASN 99.A ND2 GLU 172.A O no hydrogen 3.080 N/A TYR 100.A N ASN 99.A OD1 no hydrogen 3.001 N/A TYR 100.A OH TRP 144.A O no hydrogen 2.519 N/A ALA 101.A N LEU 5.A O no hydrogen 3.080 N/A ILE 103.A N ILE 7.A O no hydrogen 2.781 N/A TYR 104.A N LEU 149.A O no hydrogen 2.849 N/A TYR 104.A OH GLU 137.A OE2 no hydrogen 2.671 N/A LEU 105.A N THR 9.A O no hydrogen 3.111 N/A LYS 106.A N ILE 151.A O no hydrogen 3.052 N/A LYS 106.A NZ GLU 137.A OE2 no hydrogen 2.777 N/A VAL 111.A N SER 108.A OG no hydrogen 2.996 N/A LEU 112.A N SER 108.A O no hydrogen 3.088 N/A ILE 113.A N LEU 109.A O no hydrogen 3.073 N/A ARG 114.A N ASP 110.A O no hydrogen 3.304 N/A ARG 115.A N VAL 111.A O no hydrogen 3.089 N/A ASN 116.A N LEU 112.A O no hydrogen 2.998 N/A ASN 116.A ND2 ILE 123.A O no hydrogen 2.356 N/A ASN 116.A ND2 ASN 125.A OD1 no hydrogen 2.678 N/A ILE 117.A N ILE 113.A O no hydrogen 2.937 N/A GLU 118.A N ARG 114.A O no hydrogen 2.758 N/A ARG 119.A N ASN 116.A O no hydrogen 2.763 N/A GLY 120.A N ILE 117.A O no hydrogen 3.246 N/A GLU 121.A N ASN 116.A O no hydrogen 2.916 N/A ASN 125.A N GLU 121.A OE1 no hydrogen 3.255 N/A ILE 128.A N PRO 124.A O no hydrogen 3.203 N/A LYS 129.A N ASN 125.A O no hydrogen 2.919 N/A LYS 130.A N GLU 126.A O no hydrogen 2.845 N/A LYS 130.A NZ GLU 209.A OE2 no hydrogen 2.859 N/A MET 131.A N VAL 127.A O no hydrogen 2.643 N/A TYR 132.A N ILE 128.A O no hydrogen 2.881 N/A GLU 133.A N LYS 129.A O no hydrogen 3.131 N/A LYS 134.A N MET 131.A O no hydrogen 3.426 N/A PHE 135.A N TYR 132.A O no hydrogen 3.364 N/A GLY 139.A N ASP 145.A OD2 no hydrogen 2.646 N/A LYS 140.A N GLU 137.A O no hydrogen 3.325 N/A ASP 145.A N TYR 142.A O no hydrogen 2.668 N/A GLU 146.A N LYS 143.A O no hydrogen 3.051 N/A PHE 148.A N ILE 102.A O no hydrogen 2.845 N/A ILE 151.A N TYR 104.A O no hydrogen 2.847 N/A THR 153.A N LYS 106.A O no hydrogen 3.140 N/A THR 153.A OG1 VAL 14.A O no hydrogen 3.133 N/A THR 153.A OG1 LYS 106.A O no hydrogen 3.080 N/A THR 154.A N ASP 152.A OD1 no hydrogen 2.872 N/A THR 154.A OG1 ASP 152.A OD1 no hydrogen 2.781 N/A LYS 155.A N ASP 152.A O no hydrogen 3.195 N/A LYS 155.A NZ ASP 152.A OD2 no hydrogen 3.272 N/A ILE 162.A N ASP 158.A O no hydrogen 2.985 N/A ALA 163.A N PHE 159.A O no hydrogen 2.766 N/A LYS 164.A N ASN 160.A O no hydrogen 2.687 N/A LYS 164.A NZ GLU 161.A OE1 no hydrogen 2.874 N/A LYS 165.A N GLU 161.A O no hydrogen 2.843 N/A LYS 165.A NZ GLU 161.A OE2 no hydrogen 2.876 N/A LEU 166.A N ILE 162.A O no hydrogen 2.734 N/A ILE 167.A N ALA 163.A O no hydrogen 2.756 N/A GLU 168.A N LYS 164.A O no hydrogen 3.137 N/A LYS 169.A N LYS 165.A O no hydrogen 3.010 N/A SER 170.A N LEU 166.A O no hydrogen 2.850 N/A SER 170.A OG ILE 167.A O no hydrogen 2.633 N/A LYS 171.A N GLU 168.A O no hydrogen 3.124 N/A GLU 172.A N LYS 169.A O no hydrogen 3.090 N/A LYS 175.A NZ ILE 173.A O no hydrogen 3.016 N/A LYS 181.A N ASN 177.A O no hydrogen 3.285 N/A ILE 182.A N ILE 178.A O no hydrogen 3.011 N/A ASP 183.A N SER 179.A O no hydrogen 2.953 N/A LYS 184.A N ASP 180.A O no hydrogen 2.822 N/A GLU 185.A N LYS 181.A O no hydrogen 2.794 N/A THR 186.A N ILE 182.A O no hydrogen 2.985 N/A THR 186.A OG1 ILE 182.A O no hydrogen 2.545 N/A THR 186.A OG1 ASP 183.A O no hydrogen 3.303 N/A ARG 187.A N.A ASP 183.A O no hydrogen 3.191 N/A ARG 187.A N.B ASP 183.A O no hydrogen 3.189 N/A ARG 187.A NH1.A TYR 82.A OH no hydrogen 3.399 N/A ARG 187.A NH1.A ASP 183.A OD1 no hydrogen 3.337 N/A ARG 187.A NH2.A TYR 82.A OH no hydrogen 3.096 N/A ARG 187.A NH2.B ASP 183.A OD1 no hydrogen 3.005 N/A LYS 188.A N LYS 184.A O no hydrogen 3.028 N/A ILE 189.A N GLU 185.A O no hydrogen 2.870 N/A VAL 190.A N THR 186.A O no hydrogen 3.013 N/A SER 191.A N ARG 187.A O.A no hydrogen 2.956 N/A SER 191.A N ARG 187.A O.B no hydrogen 2.975 N/A GLU 192.A N LYS 188.A O no hydrogen 2.916 N/A TYR 193.A N ILE 189.A O no hydrogen 2.882 N/A ILE 194.A N VAL 190.A O no hydrogen 2.986 N/A LYS 195.A N SER 191.A O no hydrogen 3.167 N/A SER 196.A N GLU 192.A O no hydrogen 2.840 N/A LYS 197.A N TYR 193.A O no hydrogen 2.629 N/A LYS 198.A N LYS 195.A O no hydrogen 3.247 N/A LEU 199.A N ILE 194.A O no hydrogen 2.834 N/A LYS 201.A NZ ASP 202.A OD1 no hydrogen 3.239 N/A LYS 203.A N ASP 200.A OD2 no hydrogen 2.744 N/A LYS 203.A NZ GLU 206.A OE1 no hydrogen 3.194 N/A ILE 204.A N ASP 200.A O no hydrogen 2.728 N/A LYS 205.A N LYS 201.A O no hydrogen 3.120 N/A GLU 206.A N ASP 202.A O no hydrogen 3.160 N/A VAL 207.A N LYS 203.A O no hydrogen 2.885 N/A VAL 208.A N ILE 204.A O no hydrogen 3.027 N/A GLU 209.A N LYS 205.A O no hydrogen 2.935 N/A LEU 210.A N GLU 206.A O no hydrogen 2.673 N/A ARG 211.A N VAL 207.A O no hydrogen 2.962 N/A ARG 211.A NE THR 186.A OG1 no hydrogen 2.978 N/A ARG 211.A NH2 ASP 183.A O no hydrogen 2.760 N/A LYS 212.A N VAL 208.A O no hydrogen 3.092 N/A LYS 212.A NZ GLU 209.A OE2 no hydrogen 2.964 N/A GLU 213.A N GLU 209.A O no hydrogen 2.844 N/A PHE 214.A N LEU 210.A O no hydrogen 2.878 N/A LEU 215.A N ARG 211.A O no hydrogen 2.770 N/A LYS 216.A N LYS 212.A O no hydrogen 3.100 N/A LYS 217.A N GLU 213.A O no hydrogen 3.374 N/A LYS 217.A N PHE 214.A O no hydrogen 3.261 N/A ILE 218.A N PHE 214.A O no hydrogen 3.197 N/A LYS 219.A N LEU 215.A O no hydrogen 3.021 N/A LYS 220.A N LYS 216.A O no hydrogen 3.377 N/A ASP 224.A N ASP 222.A OD2 no hydrogen 3.043 N/A ARG 225.A NE ARG 225.A O no hydrogen 2.949 N/A VAL 226.A N ASP 222.A O no hydrogen 3.088 N/A LEU 227.A N ALA 223.A O no hydrogen 2.929 N/A LYS 228.A N ASP 224.A O no hydrogen 3.138 N/A GLU 229.A N ARG 225.A O no hydrogen 2.869 N/A PHE 230.A N VAL 226.A O no hydrogen 3.014 N/A LYS 231.A N LEU 227.A O no hydrogen 3.122 N/A ASP 232.A N LYS 228.A O no hydrogen 3.090 N/A LEU 233.A N GLU 229.A O no hydrogen 2.845 N/A LEU 234.A N PHE 230.A O no hydrogen 2.972 N/A ASN 235.A N LYS 231.A O no hydrogen 2.854 N/A SER 236.A N ASP 232.A O no hydrogen 2.729 N/A SER 236.A OG ASP 232.A O no hydrogen 3.246 N/A TYR 237.A N LEU 233.A O no hydrogen 2.922 N/A TYR 237.A N LEU 234.A O no hydrogen 3.115 N/A TYR 237.A OH GLU 206.A OE1 no hydrogen 3.094 N/A