Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vpn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 5.A OD1 no hydrogen 3.110 N/A GLU 6.A N VAL 3.A O no hydrogen 2.924 N/A LEU 9.A N GLU 6.A O no hydrogen 2.903 N/A ARG 10.A N GLU 6.A O no hydrogen 2.821 N/A ASN 12.A ND2 GLN 90.A O no hydrogen 2.818 N/A ARG 14.A N ASN 12.A OD1 no hydrogen 3.114 N/A ARG 14.A NH2 PHE 19.A O no hydrogen 3.185 N/A ARG 15.A N ASN 12.A O no hydrogen 2.956 N/A ARG 15.A NH1 GLN 90.A OE1 no hydrogen 2.947 N/A VAL 17.A N ARG 14.A O no hydrogen 3.050 N/A GLU 22.A N GLU 93.A OE2 no hydrogen 2.793 N/A TYR 23.A N GLU 93.A OE2 no hydrogen 2.964 N/A ILE 26.A N ASP 25.A OD1 no hydrogen 2.800 N/A TRP 27.A N TYR 23.A O no hydrogen 2.927 N/A GLN 28.A N HIS 24.A O no hydrogen 2.958 N/A MET 29.A N ASP 25.A O no hydrogen 3.389 N/A TYR 30.A N ILE 26.A O no hydrogen 3.334 N/A LYS 31.A N TRP 27.A O no hydrogen 2.994 N/A LYS 31.A NZ GLU 34.A OE1 no hydrogen 2.910 N/A LYS 32.A N GLN 28.A O no hydrogen 2.949 N/A ALA 33.A N MET 29.A O no hydrogen 2.854 N/A GLU 34.A N TYR 30.A O no hydrogen 2.806 N/A ALA 35.A N LYS 31.A O no hydrogen 2.927 N/A SER 36.A N ALA 33.A O no hydrogen 3.126 N/A SER 36.A OG LYS 32.A O no hydrogen 3.241 N/A SER 36.A OG ALA 33.A O no hydrogen 3.004 N/A PHE 37.A N GLU 34.A O no hydrogen 3.408 N/A TRP 38.A NE1 ASP 201.A OD2 no hydrogen 2.858 N/A THR 39.A N ASP 42.A OD2 no hydrogen 3.049 N/A THR 39.A OG1 GLU 41.A OE1 no hydrogen 3.390 N/A GLU 41.A N GLU 41.A OE1 no hydrogen 2.809 N/A ASP 42.A N THR 39.A O no hydrogen 2.980 N/A VAL 43.A N ALA 40.A O no hydrogen 2.966 N/A SER 46.A N ASP 44.A OD1 no hydrogen 2.892 N/A SER 46.A OG ASP 44.A OD1 no hydrogen 2.520 N/A SER 46.A OG ASP 44.A OD2 no hydrogen 3.136 N/A ASP 48.A N LEU 45.A O no hydrogen 3.152 N/A TRP 52.A N ASP 48.A O no hydrogen 2.822 N/A GLU 53.A N ILE 49.A O no hydrogen 2.875 N/A SER 54.A N GLN 50.A O no hydrogen 3.282 N/A SER 54.A N HIS 51.A O no hydrogen 3.027 N/A SER 54.A OG HIS 51.A O no hydrogen 2.743 N/A LEU 55.A N TRP 52.A O no hydrogen 3.421 N/A LYS 56.A N GLU 59.A OE1 no hydrogen 2.761 N/A GLU 59.A N LYS 56.A O no hydrogen 3.036 N/A ARG 60.A N LYS 56.A O no hydrogen 3.321 N/A ARG 60.A NH1 TRP 52.A O no hydrogen 3.007 N/A ARG 60.A NH1 LEU 55.A O no hydrogen 2.820 N/A TYR 61.A N PRO 57.A O no hydrogen 2.966 N/A PHE 62.A N GLU 58.A O no hydrogen 3.008 N/A ILE 63.A N GLU 59.A O no hydrogen 2.905 N/A SER 64.A N ARG 60.A O no hydrogen 2.923 N/A SER 64.A OG ARG 60.A O no hydrogen 3.065 N/A SER 64.A OG TYR 61.A O no hydrogen 3.111 N/A SER 64.A OG HIS 65.A ND1 no hydrogen 3.354 N/A HIS 65.A N TYR 61.A O no hydrogen 3.061 N/A HIS 65.A ND1 SER 64.A OG no hydrogen 3.354 N/A VAL 66.A N PHE 62.A O no hydrogen 2.929 N/A LEU 67.A N ILE 63.A O no hydrogen 2.914 N/A ALA 68.A N SER 64.A O no hydrogen 3.018 N/A PHE 69.A N HIS 65.A O no hydrogen 2.855 N/A PHE 70.A N VAL 66.A O no hydrogen 2.965 N/A ALA 71.A N LEU 67.A O no hydrogen 3.047 N/A ALA 72.A N ALA 68.A O no hydrogen 3.087 N/A SER 73.A N PHE 69.A O no hydrogen 2.832 N/A SER 73.A OG PHE 69.A O no hydrogen 2.920 N/A ASP 74.A N PHE 70.A O no hydrogen 2.932 N/A ILE 76.A N SER 73.A O no hydrogen 2.937 N/A VAL 77.A N SER 73.A O no hydrogen 3.057 N/A ASN 78.A N ASP 74.A O no hydrogen 2.864 N/A GLU 79.A N GLY 75.A O no hydrogen 2.994 N/A ASN 80.A N ILE 76.A O no hydrogen 3.043 N/A LEU 81.A N VAL 77.A O no hydrogen 3.081 N/A VAL 82.A N ASN 78.A O no hydrogen 2.946 N/A GLU 83.A N GLU 79.A O no hydrogen 2.895 N/A ARG 84.A N ASN 80.A O no hydrogen 2.765 N/A ARG 84.A NH1 ILE 150.A O no hydrogen 3.202 N/A ARG 84.A NH1 ASP 152.A O no hydrogen 2.859 N/A PHE 85.A N ASN 80.A O no hydrogen 3.071 N/A SER 86.A N LEU 81.A O no hydrogen 2.892 N/A SER 86.A OG LEU 81.A O no hydrogen 2.547 N/A GLN 87.A N ARG 84.A O no hydrogen 2.925 N/A GLN 87.A NE2 VAL 82.A O no hydrogen 2.951 N/A GLN 87.A NE2 SER 86.A OG no hydrogen 3.373 N/A GLU 88.A N ARG 84.A O no hydrogen 2.931 N/A VAL 89.A N PHE 85.A O no hydrogen 3.225 N/A GLN 90.A N LEU 8.A O no hydrogen 2.852 N/A GLN 90.A NE2 GLU 88.A O no hydrogen 3.557 N/A THR 92.A OG1 ARG 14.A O no hydrogen 3.283 N/A THR 92.A OG1 ARG 15.A O no hydrogen 2.695 N/A THR 92.A OG1 VAL 17.A O no hydrogen 3.508 N/A GLU 93.A N GLU 93.A OE1 no hydrogen 2.715 N/A ALA 94.A N ILE 91.A O no hydrogen 3.248 N/A ARG 95.A N ILE 91.A O no hydrogen 3.098 N/A ARG 95.A NE VAL 89.A O no hydrogen 3.018 N/A CYS 96.A N THR 92.A O no hydrogen 3.005 N/A CYS 96.A SG THR 92.A O no hydrogen 3.452 N/A PHE 97.A N GLU 93.A O no hydrogen 3.179 N/A TYR 98.A N ALA 94.A O no hydrogen 2.805 N/A TYR 98.A OH TYR 157.A OH no hydrogen 2.780 N/A GLY 99.A N ARG 95.A O no hydrogen 2.879 N/A PHE 100.A N CYS 96.A O no hydrogen 3.110 N/A GLN 101.A N PHE 97.A O no hydrogen 2.847 N/A GLN 101.A NE2 GLU 105.A OE2 no hydrogen 3.388 N/A GLN 101.A NE2 GLU 168.A OE1 no hydrogen 3.182 N/A ILE 102.A N TYR 98.A O no hydrogen 2.968 N/A ALA 103.A N GLY 99.A O no hydrogen 3.401 N/A MET 104.A N PHE 100.A O no hydrogen 2.970 N/A GLU 105.A N GLN 101.A O no hydrogen 2.786 N/A ASN 106.A N ILE 102.A O no hydrogen 3.071 N/A ILE 107.A N ALA 103.A O no hydrogen 3.126 N/A HIS 108.A N MET 104.A O no hydrogen 2.776 N/A HIS 108.A NE2 ASP 201.A OD2 no hydrogen 2.674 N/A SER 109.A N GLU 105.A O no hydrogen 2.870 N/A SER 109.A OG GLU 105.A O no hydrogen 3.087 N/A GLU 110.A N ASN 106.A O no hydrogen 3.080 N/A MET 111.A N ILE 107.A O no hydrogen 2.857 N/A TYR 112.A N HIS 108.A O no hydrogen 2.977 N/A SER 113.A N SER 109.A O no hydrogen 2.932 N/A SER 113.A OG SER 109.A O no hydrogen 3.087 N/A LEU 114.A N GLU 110.A O no hydrogen 2.853 N/A LEU 115.A N MET 111.A O no hydrogen 2.966 N/A ILE 116.A N TYR 112.A O no hydrogen 3.066 N/A ASP 117.A N SER 113.A O no hydrogen 2.977 N/A THR 118.A N LEU 114.A O no hydrogen 2.892 N/A THR 118.A OG1 LEU 114.A O no hydrogen 2.511 N/A TYR 119.A N LEU 115.A O no hydrogen 3.026 N/A TYR 119.A OH ASP 48.A OD2 no hydrogen 2.542 N/A ILE 120.A N ILE 116.A O no hydrogen 2.799 N/A LYS 121.A NZ ASP 117.A O no hydrogen 3.462 N/A LYS 124.A N ASP 122.A OD1 no hydrogen 2.803 N/A GLU 125.A N ASP 122.A OD1 no hydrogen 3.451 N/A ARG 126.A N ASP 122.A O no hydrogen 2.990 N/A ARG 126.A NE ILE 120.A O no hydrogen 2.714 N/A ARG 126.A NH2 ASP 117.A O no hydrogen 2.665 N/A ARG 126.A NH2 ILE 120.A O no hydrogen 3.360 N/A GLU 127.A N PRO 123.A O no hydrogen 3.144 N/A PHE 128.A N LYS 124.A O no hydrogen 3.044 N/A LEU 129.A N GLU 125.A O no hydrogen 2.982 N/A PHE 130.A N ARG 126.A O no hydrogen 2.864 N/A ASN 131.A N GLU 127.A O no hydrogen 3.082 N/A ASN 131.A ND2 GLU 134.A OE1 no hydrogen 3.184 N/A ALA 132.A N LEU 129.A O no hydrogen 3.182 N/A GLU 134.A N ASN 131.A O no hydrogen 2.879 N/A THR 135.A N ASN 131.A O no hydrogen 2.780 N/A THR 135.A OG1 PHE 128.A O no hydrogen 2.650 N/A THR 135.A OG1 ASN 131.A O no hydrogen 3.079 N/A MET 136.A N ALA 132.A O no hydrogen 2.926 N/A VAL 139.A N MET 136.A O no hydrogen 3.176 N/A LYS 140.A N PRO 137.A O no hydrogen 3.109 N/A LYS 142.A NZ PHE 171.A O no hydrogen 2.912 N/A LYS 142.A NZ GLU 236.A OE1 no hydrogen 2.406 N/A ALA 143.A N VAL 139.A O no hydrogen 2.833 N/A ASP 144.A N LYS 140.A O no hydrogen 2.738 N/A TRP 145.A N LYS 141.A O no hydrogen 3.317 N/A ALA 146.A N LYS 142.A O no hydrogen 3.074 N/A LEU 147.A N ALA 143.A O no hydrogen 2.815 N/A ARG 148.A N ASP 144.A O no hydrogen 2.848 N/A TRP 149.A N ALA 146.A O no hydrogen 3.102 N/A ILE 150.A N LEU 147.A O no hydrogen 3.047 N/A GLY 151.A N LEU 147.A O no hydrogen 3.130 N/A GLU 154.A N ASP 152.A OD1 no hydrogen 3.125 N/A ALA 155.A N ASP 152.A OD1 no hydrogen 2.956 N/A THR 156.A N GLU 159.A OE1 no hydrogen 3.094 N/A THR 156.A OG1 GLU 159.A OE1 no hydrogen 3.449 N/A TYR 157.A OH TYR 98.A OH no hydrogen 2.780 N/A GLU 159.A N THR 156.A OG1 no hydrogen 3.102 N/A ARG 160.A N THR 156.A O no hydrogen 2.876 N/A ARG 160.A NE ALA 155.A O no hydrogen 3.082 N/A ARG 160.A NH1 GLU 88.A OE1 no hydrogen 2.736 N/A ARG 160.A NH2 GLU 88.A OE1 no hydrogen 3.302 N/A ARG 160.A NH2 GLU 88.A OE2 no hydrogen 2.604 N/A VAL 161.A N TYR 157.A O no hydrogen 2.820 N/A ALA 163.A N GLU 159.A O no hydrogen 2.979 N/A PHE 164.A N ARG 160.A O no hydrogen 2.984 N/A ALA 165.A N VAL 161.A O no hydrogen 2.975 N/A ALA 166.A N VAL 162.A O no hydrogen 2.822 N/A VAL 167.A N ALA 163.A O no hydrogen 2.940 N/A GLU 168.A N PHE 164.A O no hydrogen 2.906 N/A GLY 169.A N ALA 165.A O no hydrogen 2.799 N/A ILE 170.A N ALA 166.A O no hydrogen 2.587 N/A PHE 171.A N ALA 166.A O no hydrogen 2.903 N/A SER 173.A N ILE 170.A O no hydrogen 3.157 N/A SER 173.A OG ILE 170.A O no hydrogen 2.944 N/A GLY 174.A N GLU 236.A OE2 no hydrogen 3.106 N/A PHE 176.A N PHE 172.A O no hydrogen 2.864 N/A ALA 177.A N SER 173.A O no hydrogen 2.946 N/A SER 178.A N GLY 174.A O no hydrogen 2.897 N/A SER 178.A OG GLY 174.A O no hydrogen 2.911 N/A ILE 179.A N SER 175.A O no hydrogen 3.185 N/A PHE 180.A N PHE 176.A O no hydrogen 3.057 N/A TRP 181.A N ALA 177.A O no hydrogen 2.820 N/A TRP 181.A NE1 ILE 249.A O no hydrogen 3.016 N/A LEU 182.A N SER 178.A O no hydrogen 3.163 N/A LYS 183.A N ILE 179.A O no hydrogen 3.107 N/A LYS 183.A NZ GLU 196.A OE2 no hydrogen 3.308 N/A LYS 184.A N PHE 180.A O no hydrogen 3.029 N/A LYS 184.A NZ ASP 284.A OD2 no hydrogen 3.470 N/A ARG 185.A N TRP 181.A O no hydrogen 3.119 N/A ARG 185.A N LEU 182.A O no hydrogen 3.081 N/A ARG 185.A NH1 GLU 59.A OE2 no hydrogen 3.016 N/A ARG 185.A NH2 GLU 59.A OE2 no hydrogen 2.791 N/A GLY 186.A N LYS 183.A O no hydrogen 2.758 N/A LEU 187.A N LEU 182.A O no hydrogen 3.065 N/A MET 188.A N HIS 51.A ND1 no hydrogen 2.960 N/A GLY 190.A N ASP 48.A OD1 no hydrogen 2.777 N/A LEU 191.A N ASP 48.A OD2 no hydrogen 2.949 N/A THR 192.A N MET 188.A O no hydrogen 3.080 N/A THR 192.A OG1 MET 188.A O no hydrogen 3.417 N/A THR 192.A OG1 PRO 189.A O no hydrogen 3.372 N/A PHE 193.A N PRO 189.A O no hydrogen 2.916 N/A SER 194.A N GLY 190.A O no hydrogen 3.038 N/A SER 194.A OG GLY 190.A O no hydrogen 3.507 N/A SER 194.A OG LEU 191.A O no hydrogen 2.819 N/A ASN 195.A N LEU 191.A O no hydrogen 2.919 N/A ASN 195.A ND2 PHE 176.A O no hydrogen 3.574 N/A GLU 196.A N THR 192.A O no hydrogen 2.968 N/A LEU 197.A N PHE 193.A O no hydrogen 3.165 N/A ILE 198.A N SER 194.A O no hydrogen 2.884 N/A SER 199.A N ASN 195.A O no hydrogen 2.933 N/A SER 199.A OG ASN 195.A O no hydrogen 2.744 N/A SER 199.A OG GLU 196.A O no hydrogen 3.288 N/A ARG 200.A N GLU 196.A O no hydrogen 3.122 N/A ARG 200.A NE ASP 201.A OD1 no hydrogen 3.248 N/A ARG 200.A NH2 ASP 201.A OD1 no hydrogen 2.764 N/A ASP 201.A N LEU 197.A O no hydrogen 3.075 N/A GLU 202.A N ILE 198.A O no hydrogen 2.873 N/A GLY 203.A N SER 199.A O no hydrogen 2.817 N/A LEU 204.A N ARG 200.A O no hydrogen 3.029 N/A HIS 205.A N ASP 201.A O no hydrogen 2.851 N/A HIS 205.A ND1 GLU 202.A OE2 no hydrogen 3.171 N/A CYS 206.A N GLU 202.A O no hydrogen 2.963 N/A CYS 206.A SG ALA 165.A O no hydrogen 3.596 N/A CYS 206.A SG GLU 202.A O no hydrogen 3.393 N/A ASP 207.A N GLY 203.A O no hydrogen 2.807 N/A PHE 208.A N LEU 204.A O no hydrogen 2.839 N/A ALA 209.A N HIS 205.A O no hydrogen 3.194 N/A CYS 210.A N CYS 206.A O no hydrogen 3.102 N/A CYS 210.A SG CYS 206.A O no hydrogen 3.455 N/A LEU 211.A N ASP 207.A O no hydrogen 2.933 N/A MET 212.A N PHE 208.A O no hydrogen 2.926 N/A PHE 213.A N ALA 209.A O no hydrogen 3.017 N/A LYS 214.A N CYS 210.A O no hydrogen 2.925 N/A HIS 215.A N LEU 211.A O no hydrogen 3.177 N/A HIS 215.A NE2 ASP 25.A OD2 no hydrogen 2.668 N/A LEU 216.A N PHE 213.A O no hydrogen 3.007 N/A VAL 217.A N GLU 6.A OE1 no hydrogen 2.806 N/A HIS 218.A N GLU 6.A OE2 no hydrogen 2.777 N/A HIS 218.A NE2 ASP 5.A OD2 no hydrogen 2.631 N/A LYS 219.A NZ LYS 214.A O no hydrogen 3.122 N/A LYS 219.A NZ LEU 216.A O no hydrogen 2.959 N/A ARG 224.A N SER 221.A OG no hydrogen 3.249 N/A ARG 224.A NE GLU 159.A OE2 no hydrogen 2.930 N/A ARG 224.A NH2 GLU 227.A OE1 no hydrogen 3.038 N/A VAL 225.A N SER 221.A O no hydrogen 2.960 N/A ARG 226.A N GLU 222.A O no hydrogen 2.842 N/A ARG 226.A NH1 LYS 275.A O no hydrogen 3.512 N/A GLU 227.A N GLU 223.A O no hydrogen 3.035 N/A ILE 228.A N ARG 224.A O no hydrogen 3.136 N/A ILE 229.A N VAL 225.A O no hydrogen 2.930 N/A ILE 230.A N ARG 226.A O no hydrogen 2.851 N/A ASN 231.A N GLU 227.A O no hydrogen 3.305 N/A ALA 232.A N ILE 228.A O no hydrogen 3.086 N/A VAL 233.A N ILE 229.A O no hydrogen 3.061 N/A ARG 234.A N ILE 230.A O no hydrogen 3.084 N/A ARG 234.A NH1 GLN 237.A OE1 no hydrogen 2.898 N/A ARG 234.A NH1 GLU 261.A OE2 no hydrogen 3.008 N/A ILE 235.A N ASN 231.A O no hydrogen 3.139 N/A GLU 236.A N ALA 232.A O no hydrogen 2.902 N/A GLN 237.A N VAL 233.A O no hydrogen 2.789 N/A GLN 237.A NE2 LYS 257.A O no hydrogen 2.899 N/A GLN 237.A NE2 GLU 261.A OE2 no hydrogen 3.131 N/A GLU 238.A N ARG 234.A O no hydrogen 2.819 N/A PHE 239.A N ILE 235.A O no hydrogen 2.816 N/A LEU 240.A N GLU 236.A O no hydrogen 3.095 N/A THR 241.A N GLN 237.A O no hydrogen 3.123 N/A THR 241.A N GLU 238.A O no hydrogen 3.330 N/A THR 241.A OG1 GLN 237.A O no hydrogen 2.718 N/A GLU 242.A N GLU 238.A O no hydrogen 2.860 N/A ALA 243.A N GLU 238.A O no hydrogen 3.244 N/A LEU 244.A N PHE 239.A O no hydrogen 2.884 N/A VAL 246.A N LEU 240.A O no hydrogen 2.965 N/A LEU 248.A N PRO 245.A O no hydrogen 3.227 N/A ILE 249.A N VAL 246.A O no hydrogen 3.222 N/A GLY 250.A N LYS 247.A O no hydrogen 2.707 N/A MET 251.A N VAL 246.A O no hydrogen 3.014 N/A CYS 253.A SG LEU 240.A O no hydrogen 4.025 N/A LEU 255.A N ASN 252.A OD1 no hydrogen 2.758 N/A MET 256.A N ASN 252.A O no hydrogen 3.086 N/A LYS 257.A N CYS 253.A O no hydrogen 3.050 N/A GLN 258.A N THR 254.A O no hydrogen 3.148 N/A GLN 258.A NE2 GLU 280.A O no hydrogen 3.147 N/A TYR 259.A N LEU 255.A O no hydrogen 3.005 N/A ILE 260.A N MET 256.A O no hydrogen 3.158 N/A GLU 261.A N LYS 257.A O no hydrogen 3.431 N/A PHE 262.A N GLN 258.A O no hydrogen 3.071 N/A VAL 263.A N TYR 259.A O no hydrogen 2.994 N/A ALA 264.A N ILE 260.A O no hydrogen 2.938 N/A ASP 265.A N GLU 261.A O no hydrogen 2.997 N/A ARG 266.A N PHE 262.A O no hydrogen 3.151 N/A LEU 267.A N VAL 263.A O no hydrogen 3.011 N/A MET 268.A N ALA 264.A O no hydrogen 2.827 N/A LEU 269.A N ASP 265.A O no hydrogen 2.907 N/A GLU 270.A N ARG 266.A O no hydrogen 2.906 N/A LEU 271.A N LEU 267.A O no hydrogen 2.911 N/A LEU 271.A N MET 268.A O no hydrogen 3.191 N/A GLY 272.A N LEU 269.A O no hydrogen 3.155 N/A PHE 273.A N MET 268.A O no hydrogen 3.020 N/A SER 274.A N GLU 222.A OE2 no hydrogen 2.797 N/A VAL 276.A N ASP 265.A OD1 no hydrogen 2.866 N/A PHE 277.A N ASP 265.A OD1 no hydrogen 2.986 N/A ARG 278.A N ASP 265.A OD2 no hydrogen 2.863 N/A ASN 281.A ND2 MET 286.A OXT no hydrogen 2.673 N/A PHE 283.A N ASN 281.A OD1 no hydrogen 2.912 N/A MET 286.A N PHE 283.A O no hydrogen 3.271 N/A