Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vsp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A OG ASN 3.A OD1 no hydrogen 2.894 N/A ALA 7.A N ASN 3.A O no hydrogen 3.357 N/A ASP 8.A N PRO 4.A O no hydrogen 2.949 N/A LEU 9.A N GLU 5.A O no hydrogen 3.087 N/A ARG 10.A N SER 6.A O no hydrogen 2.889 N/A ARG 10.A NH1 GLN 209.A OE1 no hydrogen 3.006 N/A ARG 10.A NH2 GLN 209.A OE1 no hydrogen 3.319 N/A ALA 11.A N ALA 7.A O no hydrogen 3.029 N/A LEU 12.A N ASP 8.A O no hydrogen 3.187 N/A ALA 13.A N LEU 9.A O no hydrogen 3.039 N/A LYS 14.A N ARG 10.A O no hydrogen 2.907 N/A HIS 15.A N ALA 11.A O no hydrogen 2.932 N/A HIS 15.A NE2 SER 91.A O no hydrogen 2.806 N/A LEU 16.A N LEU 12.A O no hydrogen 2.918 N/A TYR 17.A N ALA 13.A O no hydrogen 2.885 N/A ASP 18.A N LYS 14.A O no hydrogen 2.916 N/A SER 19.A N HIS 15.A O no hydrogen 3.047 N/A SER 19.A OG HIS 15.A O no hydrogen 2.723 N/A TYR 20.A N LEU 16.A O no hydrogen 2.874 N/A TYR 20.A OH ASP 170.A OD1 no hydrogen 2.520 N/A ILE 21.A N TYR 17.A O no hydrogen 3.004 N/A LYS 22.A N ASP 18.A O no hydrogen 3.135 N/A LYS 22.A NZ ASP 18.A OD1 no hydrogen 3.250 N/A LYS 22.A NZ ASP 18.A OD2 no hydrogen 2.741 N/A SER 23.A N SER 19.A O no hydrogen 2.843 N/A SER 23.A N TYR 20.A O no hydrogen 3.223 N/A SER 23.A OG SER 19.A O no hydrogen 2.948 N/A SER 23.A OG GLU 87.A OE2 no hydrogen 3.555 N/A PHE 24.A N TYR 20.A O no hydrogen 3.008 N/A LYS 28.A N ASP 170.A OD1 no hydrogen 2.924 N/A LYS 28.A NZ LEU 168.A O no hydrogen 2.695 N/A ALA 29.A N ASP 170.A OD2 no hydrogen 2.961 N/A LYS 30.A N THR 27.A OG1 no hydrogen 3.093 N/A ALA 31.A N THR 27.A O no hydrogen 2.994 N/A ARG 32.A N LYS 28.A O no hydrogen 2.838 N/A ARG 32.A NH1 MET 123.A O no hydrogen 3.488 N/A ARG 32.A NH2 SER 121.A O no hydrogen 2.815 N/A ARG 32.A NH2 MET 123.A O no hydrogen 2.470 N/A ALA 33.A N ALA 29.A O no hydrogen 3.188 N/A ILE 34.A N LYS 30.A O no hydrogen 3.019 N/A LEU 35.A N ALA 31.A O no hydrogen 2.939 N/A THR 36.A N ARG 32.A O no hydrogen 2.898 N/A THR 36.A OG1 ARG 32.A O no hydrogen 3.162 N/A GLY 37.A N ILE 34.A O no hydrogen 3.140 N/A LYS 42.A N THR 39.A OG1 no hydrogen 3.072 N/A LYS 42.A NZ ASP 41.A OD2 no hydrogen 3.337 N/A PHE 45.A N GLN 134.A O no hydrogen 2.887 N/A ILE 47.A N PHE 136.A O no hydrogen 2.906 N/A SER 52.A N ASP 49.A OD1 no hydrogen 2.640 N/A SER 52.A OG ASP 49.A OD1 no hydrogen 2.744 N/A LEU 53.A N ASP 49.A O no hydrogen 2.834 N/A MET 54.A N MET 50.A O no hydrogen 2.732 N/A MET 55.A N ASN 51.A O no hydrogen 2.969 N/A GLY 56.A N SER 52.A O no hydrogen 2.738 N/A GLY 56.A N LEU 53.A O no hydrogen 2.962 N/A GLU 57.A N LEU 53.A O no hydrogen 3.363 N/A ASP 58.A N MET 55.A O no hydrogen 3.220 N/A LYS 59.A N MET 55.A O no hydrogen 3.249 N/A ILE 60.A N GLY 56.A O no hydrogen 2.908 N/A ARG 69.A N GLU 65.A O no hydrogen 2.872 N/A ILE 70.A N VAL 66.A O no hydrogen 3.144 N/A PHE 71.A N ALA 67.A O no hydrogen 3.117 N/A GLN 72.A N ILE 68.A O no hydrogen 2.815 N/A GLY 73.A N ARG 69.A O no hydrogen 2.960 N/A CYS 74.A N ILE 70.A O no hydrogen 3.091 N/A CYS 74.A SG ILE 70.A O no hydrogen 2.977 N/A GLN 75.A N PHE 71.A O no hydrogen 3.112 N/A GLN 75.A NE2 SER 253.A O no hydrogen 3.451 N/A PHE 76.A N GLN 72.A O no hydrogen 3.094 N/A ARG 77.A N GLY 73.A O no hydrogen 3.099 N/A ARG 77.A NH1 GLU 80.A OE2 no hydrogen 2.840 N/A ARG 77.A NH1 GLU 84.A OE1 no hydrogen 3.279 N/A ARG 77.A NH1 GLU 84.A OE2 no hydrogen 3.260 N/A ARG 77.A NH2 GLU 84.A OE1 no hydrogen 3.110 N/A SER 78.A N CYS 74.A O no hydrogen 2.702 N/A VAL 79.A N GLN 75.A O no hydrogen 2.852 N/A GLU 80.A N PHE 76.A O no hydrogen 3.020 N/A ALA 81.A N ARG 77.A O no hydrogen 2.895 N/A VAL 82.A N SER 78.A O no hydrogen 2.936 N/A GLN 83.A N VAL 79.A O no hydrogen 3.255 N/A GLU 84.A N GLU 80.A O no hydrogen 3.126 N/A ILE 85.A N ALA 81.A O no hydrogen 2.927 N/A THR 86.A N VAL 82.A O no hydrogen 2.846 N/A THR 86.A OG1 VAL 82.A O no hydrogen 2.710 N/A GLU 87.A N GLN 83.A O no hydrogen 3.063 N/A TYR 88.A N GLU 84.A O no hydrogen 2.812 N/A TYR 88.A OH ALA 174.A O no hydrogen 2.515 N/A ALA 89.A N ILE 85.A O no hydrogen 2.792 N/A LYS 90.A N THR 86.A O no hydrogen 3.388 N/A SER 91.A N TYR 88.A O no hydrogen 2.871 N/A SER 91.A OG TYR 88.A O no hydrogen 2.498 N/A ILE 92.A N ALA 89.A O no hydrogen 2.911 N/A PHE 95.A N ILE 92.A O no hydrogen 2.871 N/A ASN 97.A N GLY 94.A O no hydrogen 3.100 N/A LEU 98.A N PHE 95.A O no hydrogen 3.263 N/A ASN 101.A N ASP 99.A OD1 no hydrogen 2.644 N/A GLN 103.A N ASP 99.A O no hydrogen 3.086 N/A GLN 103.A NE2 VAL 96.A O no hydrogen 2.968 N/A GLN 103.A NE2 LEU 98.A O no hydrogen 2.847 N/A VAL 104.A N LEU 100.A O no hydrogen 3.141 N/A THR 105.A N ASN 101.A O no hydrogen 2.894 N/A THR 105.A OG1 ASN 101.A O no hydrogen 3.378 N/A LEU 106.A N ASP 102.A O no hydrogen 2.812 N/A LEU 107.A N GLN 103.A O no hydrogen 3.191 N/A LYS 108.A N VAL 104.A O no hydrogen 2.850 N/A LYS 108.A NZ ILE 261.A O no hydrogen 3.191 N/A LYS 108.A NZ LYS 263.A O no hydrogen 2.631 N/A TYR 109.A N THR 105.A O no hydrogen 3.167 N/A TYR 109.A OH LEU 265.A O no hydrogen 3.090 N/A GLY 110.A N LEU 106.A O no hydrogen 2.936 N/A GLY 110.A N LEU 107.A O no hydrogen 3.232 N/A VAL 111.A N LEU 107.A O no hydrogen 3.006 N/A ILE 114.A N GLY 110.A O no hydrogen 3.117 N/A ILE 115.A N VAL 111.A O no hydrogen 2.697 N/A TYR 116.A N HIS 112.A O no hydrogen 2.981 N/A THR 117.A N GLU 113.A O no hydrogen 3.085 N/A THR 117.A OG1 GLU 113.A O no hydrogen 2.846 N/A MET 118.A N ILE 114.A O no hydrogen 2.890 N/A LEU 119.A N ILE 115.A O no hydrogen 2.809 N/A ALA 120.A N TYR 116.A O no hydrogen 3.330 N/A SER 121.A N MET 118.A O no hydrogen 2.861 N/A SER 121.A OG MET 118.A O no hydrogen 3.150 N/A LEU 122.A N LEU 119.A O no hydrogen 2.931 N/A MET 123.A N ALA 120.A O no hydrogen 2.873 N/A ASN 124.A N GLY 127.A O no hydrogen 3.307 N/A LYS 125.A NZ ASP 126.A OD1 no hydrogen 3.337 N/A ASP 126.A N ASN 124.A OD1 no hydrogen 2.752 N/A GLY 127.A N ASN 124.A O no hydrogen 3.350 N/A GLY 127.A N ASN 124.A OD1 no hydrogen 2.955 N/A VAL 128.A N MET 137.A O no hydrogen 2.952 N/A LEU 129.A N LEU 122.A O no hydrogen 2.990 N/A ILE 130.A N GLY 135.A O no hydrogen 2.972 N/A GLY 133.A N ILE 130.A O no hydrogen 3.122 N/A GLN 134.A N SER 131.A O no hydrogen 3.022 N/A GLN 134.A NE2 SER 131.A O no hydrogen 3.402 N/A GLY 135.A N ILE 130.A O no hydrogen 3.145 N/A PHE 136.A N PHE 45.A O no hydrogen 2.959 N/A MET 137.A N VAL 128.A O no hydrogen 3.077 N/A THR 138.A N ILE 47.A O no hydrogen 3.201 N/A ARG 139.A N ASP 126.A O no hydrogen 2.586 N/A ARG 139.A NE GLU 154.A OE1 no hydrogen 2.893 N/A ARG 139.A NE GLU 154.A OE2 no hydrogen 3.239 N/A ARG 139.A NH1 LYS 125.A O no hydrogen 3.260 N/A ARG 139.A NH2 GLU 154.A OE1 no hydrogen 2.572 N/A PHE 141.A N THR 138.A OG1 no hydrogen 3.308 N/A LEU 142.A N THR 138.A O no hydrogen 3.381 N/A LYS 143.A N ARG 139.A O no hydrogen 2.944 N/A LYS 143.A NZ GLU 140.A OE2 no hydrogen 3.174 N/A SER 144.A N PHE 141.A O no hydrogen 3.016 N/A SER 144.A OG PHE 141.A O no hydrogen 2.701 N/A LEU 145.A N LEU 142.A O no hydrogen 3.203 N/A ARG 146.A NH1 GLU 249.A OE2 no hydrogen 2.807 N/A GLY 150.A N ARG 146.A O no hydrogen 2.934 N/A PHE 152.A N PHE 149.A O no hydrogen 3.067 N/A LYS 156.A N MET 153.A O no hydrogen 2.806 N/A LYS 156.A NZ TYR 116.A OH no hydrogen 3.157 N/A PHE 157.A N MET 153.A O no hydrogen 3.107 N/A GLU 158.A N GLU 154.A O no hydrogen 3.045 N/A PHE 159.A N PRO 155.A O no hydrogen 3.254 N/A ALA 160.A N LYS 156.A O no hydrogen 2.933 N/A VAL 161.A N PHE 157.A O no hydrogen 2.953 N/A LYS 162.A N GLU 158.A O no hydrogen 3.430 N/A LYS 162.A NZ ASP 230.A OD2 no hydrogen 2.917 N/A PHE 163.A N PHE 159.A O no hydrogen 2.784 N/A ASN 164.A N ALA 160.A O no hydrogen 2.715 N/A ASN 164.A ND2 ALA 120.A O no hydrogen 3.487 N/A ALA 165.A N LYS 162.A O no hydrogen 2.942 N/A LEU 166.A N PHE 163.A O no hydrogen 2.975 N/A GLU 167.A N ASN 164.A O no hydrogen 2.845 N/A ASP 169.A N ASP 172.A OD2 no hydrogen 2.999 N/A SER 171.A OG ASP 169.A OD1 no hydrogen 3.549 N/A SER 171.A OG ASP 169.A OD2 no hydrogen 2.626 N/A ASP 172.A N ASP 169.A O no hydrogen 2.979 N/A ASP 172.A N ASP 169.A OD2 no hydrogen 3.104 N/A LEU 173.A N ASP 169.A O no hydrogen 3.093 N/A ALA 174.A N ASP 170.A O no hydrogen 2.905 N/A PHE 176.A N ASP 172.A O no hydrogen 3.075 N/A ILE 177.A N LEU 173.A O no hydrogen 2.789 N/A ALA 178.A N ALA 174.A O no hydrogen 3.339 N/A VAL 179.A N ILE 175.A O no hydrogen 2.902 N/A ILE 180.A N PHE 176.A O no hydrogen 3.032 N/A ILE 181.A N ILE 177.A O no hydrogen 3.059 N/A LEU 182.A N ALA 178.A O no hydrogen 3.137 N/A SER 183.A N ILE 181.A O no hydrogen 2.906 N/A SER 183.A OG ILE 180.A O no hydrogen 2.786 N/A ARG 186.A NH1 GLU 113.A OE1 no hydrogen 3.004 N/A ARG 186.A NH2 GLU 113.A OE2 no hydrogen 3.204 N/A ARG 186.A NH2 ILE 180.A O no hydrogen 2.997 N/A LEU 189.A N ARG 186.A O no hydrogen 3.336 N/A LEU 190.A N ASP 102.A OD2 no hydrogen 2.862 N/A ASN 191.A N ASP 102.A OD1 no hydrogen 2.915 N/A GLU 196.A N VAL 192.A O no hydrogen 3.173 N/A ASP 197.A N LYS 193.A O no hydrogen 3.042 N/A ILE 198.A N PRO 194.A O no hydrogen 3.263 N/A GLN 199.A N ILE 195.A O no hydrogen 2.882 N/A ASP 200.A N GLU 196.A O no hydrogen 2.745 N/A ASN 201.A N ASP 197.A O no hydrogen 3.370 N/A LEU 202.A N ILE 198.A O no hydrogen 3.020 N/A LEU 203.A N GLN 199.A O no hydrogen 2.624 N/A GLN 204.A N ASP 200.A O no hydrogen 3.004 N/A ALA 205.A N ASN 201.A O no hydrogen 3.075 N/A LEU 206.A N LEU 202.A O no hydrogen 2.766 N/A GLU 207.A N LEU 203.A O no hydrogen 2.826 N/A LEU 208.A N GLN 204.A O no hydrogen 3.015 N/A GLN 209.A N ALA 205.A O no hydrogen 2.861 N/A GLN 209.A NE2 ASP 172.A OD1 no hydrogen 2.791 N/A LEU 210.A N LEU 206.A O no hydrogen 2.916 N/A LYS 211.A N GLU 207.A O no hydrogen 3.184 N/A LEU 212.A N LEU 208.A O no hydrogen 2.890 N/A ASN 213.A N GLN 209.A O no hydrogen 2.876 N/A ASN 213.A ND2 ASP 169.A OD1 no hydrogen 2.875 N/A ASN 213.A ND2 ASP 172.A OD1 no hydrogen 3.173 N/A ASN 213.A ND2 ASP 172.A OD2 no hydrogen 3.197 N/A HIS 214.A N LEU 210.A O no hydrogen 2.806 N/A HIS 214.A NE2 GLU 167.A O no hydrogen 3.327 N/A SER 217.A N HIS 214.A O no hydrogen 2.916 N/A LEU 220.A N SER 217.A O no hydrogen 3.378 N/A LYS 223.A N GLN 219.A O no hydrogen 2.963 N/A LYS 223.A NZ SER 218.A O no hydrogen 2.993 N/A LEU 224.A N LEU 220.A O no hydrogen 2.703 N/A LEU 225.A N PHE 221.A O no hydrogen 2.959 N/A GLN 226.A N ALA 222.A O no hydrogen 2.941 N/A LYS 227.A N LEU 224.A O no hydrogen 2.964 N/A MET 228.A N LEU 225.A O no hydrogen 3.007 N/A THR 229.A N GLN 226.A O no hydrogen 3.231 N/A THR 229.A OG1 GLN 226.A O no hydrogen 3.409 N/A THR 229.A OG1 ASP 230.A OD1 no hydrogen 3.457 N/A ASP 230.A N LYS 227.A O no hydrogen 2.789 N/A LEU 231.A N LYS 227.A O no hydrogen 3.201 N/A ARG 232.A N MET 228.A O no hydrogen 3.437 N/A ARG 232.A NH2 ASP 185.A OD2 no hydrogen 3.165 N/A GLN 233.A N THR 229.A O no hydrogen 3.298 N/A GLN 233.A NE2 GLU 237.A OE1 no hydrogen 3.060 N/A ILE 234.A N ASP 230.A O no hydrogen 2.926 N/A VAL 235.A N LEU 231.A O no hydrogen 2.952 N/A THR 236.A N ARG 232.A O no hydrogen 2.980 N/A THR 236.A OG1 ARG 232.A O no hydrogen 3.039 N/A GLU 237.A N GLN 233.A O no hydrogen 3.000 N/A HIS 238.A N ILE 234.A O no hydrogen 3.139 N/A VAL 239.A N VAL 235.A O no hydrogen 2.897 N/A GLN 240.A N THR 236.A O no hydrogen 3.057 N/A LEU 241.A N GLU 237.A O no hydrogen 2.775 N/A LEU 242.A N HIS 238.A O no hydrogen 2.836 N/A LEU 242.A N VAL 239.A O no hydrogen 3.053 N/A GLN 243.A N VAL 239.A O no hydrogen 3.026 N/A VAL 244.A N GLN 240.A O no hydrogen 3.303 N/A LYS 246.A N LEU 242.A O no hydrogen 3.211 N/A LYS 247.A N VAL 244.A O no hydrogen 3.194 N/A THR 248.A N VAL 244.A O no hydrogen 3.265 N/A THR 248.A N ILE 245.A O no hydrogen 2.917 N/A THR 248.A OG1 VAL 244.A O no hydrogen 3.520 N/A GLU 249.A N ILE 245.A O no hydrogen 2.696 N/A MET 252.A N GLU 249.A O no hydrogen 2.876 N/A HIS 255.A N GLN 75.A OE1 no hydrogen 3.013 N/A LEU 257.A N HIS 255.A ND1 no hydrogen 2.897 N/A GLN 259.A N HIS 255.A O no hydrogen 2.948 N/A GLU 260.A N PRO 256.A O no hydrogen 2.881 N/A ILE 261.A N LEU 257.A O no hydrogen 3.060 N/A TYR 262.A N LEU 258.A O no hydrogen 3.029 N/A TYR 262.A OH HIS 112.A NE2 no hydrogen 2.896 N/A LYS 263.A N GLN 259.A O no hydrogen 2.962 N/A LEU 265.A N TYR 262.A O no hydrogen 3.046 N/A