Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dbu_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 6.A N ASN 11.A O no hydrogen 2.883 N/A GLY 8.A N ASN 11.A OD1 no hydrogen 2.919 N/A ASN 11.A ND2 HIS 4.A O no hydrogen 3.304 N/A HIS 15.A N GLY 12.A O no hydrogen 2.749 N/A HIS 15.A NE2 LYS 9.A O no hydrogen 3.047 N/A TRP 16.A N PRO 13.A O no hydrogen 3.322 N/A TRP 16.A NE1 GLY 6.A O no hydrogen 3.115 N/A TRP 16.A NE1 ASN 11.A O no hydrogen 3.182 N/A LYS 18.A N HIS 15.A O no hydrogen 3.164 N/A LYS 18.A NZ HIS 15.A ND1 no hydrogen 2.928 N/A ASP 19.A N TRP 16.A O no hydrogen 3.110 N/A PHE 20.A N TRP 16.A O no hydrogen 2.782 N/A ALA 23.A N PHE 20.A O no hydrogen 2.883 N/A LYS 24.A N PRO 21.A O no hydrogen 3.038 N/A GLY 25.A N ILE 22.A O no hydrogen 2.604 N/A ARG 27.A N GLU 205.A OE2 no hydrogen 2.957 N/A ARG 27.A NE GLY 196.A O no hydrogen 2.982 N/A ARG 27.A NH2 PRO 138.A O no hydrogen 3.281 N/A ARG 27.A NH2 GLY 196.A O no hydrogen 3.104 N/A ARG 27.A NH2 VAL 207.A O no hydrogen 2.953 N/A GLN 28.A NE2 LEU 203.A O no hydrogen 3.181 N/A GLN 28.A NE2 GLU 205.A OE2 no hydrogen 3.092 N/A SER 29.A N SER 197.A OG no hydrogen 2.892 N/A SER 29.A OG TYR 194.A OH no hydrogen 2.764 N/A SER 29.A OG SER 197.A O no hydrogen 3.527 N/A ILE 33.A N THR 108.A O no hydrogen 2.700 N/A THR 35.A N ASP 110.A OD1 no hydrogen 2.753 N/A THR 35.A OG1 ASP 110.A OD1 no hydrogen 3.266 N/A THR 35.A OG1 ASP 110.A OD2 no hydrogen 2.590 N/A HIS 36.A N ASP 34.A OD1.B no hydrogen 3.004 N/A THR 37.A N ASP 34.A O.A no hydrogen 3.057 N/A THR 37.A N ASP 34.A O.B no hydrogen 3.057 N/A ALA 38.A N ASP 34.A O.A no hydrogen 3.062 N/A ALA 38.A N ASP 34.A O.B no hydrogen 3.063 N/A LYS 39.A N ILE 256.A O no hydrogen 2.970 N/A ASP 41.A N ALA 258.A O no hydrogen 2.854 N/A SER 43.A N ASP 41.A OD1 no hydrogen 2.948 N/A SER 43.A OG ASP 41.A OD1 no hydrogen 2.622 N/A SER 43.A OG ASP 41.A OD2 no hydrogen 3.048 N/A LEU 44.A N ASP 41.A O no hydrogen 2.898 N/A LYS 45.A NZ SER 43.A O no hydrogen 3.479 N/A SER 48.A N LYS 80.A O no hydrogen 2.811 N/A SER 50.A N.A VAL 78.A O no hydrogen 2.942 N/A SER 50.A N.B VAL 78.A O no hydrogen 2.923 N/A SER 50.A OG.A ASP 52.A OD1.A no hydrogen 2.838 N/A TYR 51.A OH HIS 122.A NE2 no hydrogen 2.695 N/A GLN 53.A NE2 ASP 52.A OD1.B no hydrogen 2.519 N/A ALA 54.A N TYR 51.A O no hydrogen 3.190 N/A SER 56.A OG PHE 176.A O no hydrogen 2.731 N/A LEU 57.A N GLU 69.A O no hydrogen 2.773 N/A ARG 58.A NE GLU 69.A OE1 no hydrogen 2.568 N/A ARG 58.A NH2 GLU 69.A OE2 no hydrogen 3.446 N/A ILE 59.A N ALA 174.A O no hydrogen 2.851 N/A LEU 60.A N GLN 67.A O no hydrogen 2.830 N/A ASN 61.A N LYS 172.A O no hydrogen 2.992 N/A ASN 61.A ND2 ILE 167.A O no hydrogen 3.253 N/A ASN 61.A ND2 ASN 230.A O no hydrogen 3.207 N/A ASN 62.A N SER 65.A O.A no hydrogen 3.130 N/A ASN 62.A N SER 65.A O.B no hydrogen 3.005 N/A GLY 63.A N ASN 61.A OD1 no hydrogen 2.849 N/A HIS 64.A N ASN 62.A OD1 no hydrogen 2.806 N/A HIS 64.A NE2.B TRP 5.A O no hydrogen 3.262 N/A SER 65.A N.A ASN 62.A OD1 no hydrogen 2.986 N/A SER 65.A N.B ASN 62.A OD1 no hydrogen 2.962 N/A SER 65.A OG.A PHE 66.A O no hydrogen 3.378 N/A SER 65.A OG.A PHE 95.A O no hydrogen 2.595 N/A GLN 67.A N LEU 60.A O no hydrogen 2.846 N/A VAL 68.A N PHE 93.A O no hydrogen 2.865 N/A GLU 69.A N ARG 58.A O no hydrogen 2.894 N/A PHE 70.A N ILE 91.A O no hydrogen 2.888 N/A ASP 71.A N THR 55.A O no hydrogen 2.863 N/A SER 73.A N ASP 71.A OD1 no hydrogen 2.912 N/A SER 73.A OG ASP 71.A OD1 no hydrogen 2.761 N/A SER 73.A OG ASP 71.A OD2 no hydrogen 3.453 N/A LYS 76.A N GLN 74.A O no hydrogen 2.859 N/A LYS 76.A NZ ASP 71.A O no hydrogen 2.852 N/A LYS 76.A NZ GLN 74.A O no hydrogen 3.386 N/A VAL 78.A N SER 50.A O.A no hydrogen 3.060 N/A VAL 78.A N SER 50.A O.B no hydrogen 2.949 N/A LEU 79.A N TYR 88.A O no hydrogen 2.820 N/A LYS 80.A N SER 48.A O no hydrogen 2.958 N/A GLY 82.A N PRO 46.A O no hydrogen 2.985 N/A LEU 84.A N GLY 81.A O no hydrogen 3.021 N/A TYR 88.A N LEU 79.A O no hydrogen 3.047 N/A TYR 88.A OH ASP 139.A O no hydrogen 2.846 N/A ARG 89.A N TRP 123.A O no hydrogen 2.800 N/A ARG 89.A NE ASP 75.A OD1 no hydrogen 2.277 N/A ARG 89.A NH1 ASP 72.A O no hydrogen 2.841 N/A LEU 90.A N ALA 77.A O no hydrogen 2.962 N/A ILE 91.A N VAL 121.A O no hydrogen 2.998 N/A GLN 92.A NE2 HIS 94.A ND1 no hydrogen 2.790 N/A PHE 93.A N VAL 68.A O no hydrogen 3.013 N/A HIS 94.A N HIS 119.A O no hydrogen 3.044 N/A HIS 96.A N GLU 117.A O no hydrogen 2.875 N/A HIS 96.A ND1 ASN 244.A O no hydrogen 2.770 N/A TRP 97.A N ASN 244.A OD1 no hydrogen 2.683 N/A TRP 97.A NE1 MET 241.A O no hydrogen 2.781 N/A SER 99.A N ASP 243.A OD1 no hydrogen 3.049 N/A SER 99.A OG ASP 243.A OD1 no hydrogen 3.527 N/A SER 99.A OG ASP 243.A OD2 no hydrogen 2.609 N/A GLN 103.A N LEU 100.A O no hydrogen 3.189 N/A GLN 103.A NE2 ASP 243.A OD1 no hydrogen 2.731 N/A SER 105.A N TYR 114.A O no hydrogen 2.989 N/A SER 105.A OG HIS 107.A O no hydrogen 2.843 N/A GLU 106.A N GLU 117.A OE1 no hydrogen 2.792 N/A HIS 107.A N GLU 117.A OE1 no hydrogen 2.779 N/A HIS 107.A ND1 GLU 117.A OE2 no hydrogen 2.800 N/A HIS 107.A NE2 TYR 194.A OH no hydrogen 2.647 N/A THR 108.A OG1 ASP 32.A OD1 no hydrogen 2.510 N/A VAL 109.A N LYS 112.A O no hydrogen 3.025 N/A ASP 110.A N ILE 33.A O no hydrogen 2.657 N/A LYS 111.A N ASP 32.A OD1 no hydrogen 2.745 N/A LYS 112.A N VAL 109.A O no hydrogen 2.847 N/A TYR 114.A N SER 105.A OG no hydrogen 2.965 N/A ALA 115.A N LEU 148.A O no hydrogen 3.049 N/A ALA 116.A N LEU 148.A O no hydrogen 3.416 N/A GLU 117.A N HIS 96.A O no hydrogen 2.915 N/A LEU 118.A N ILE 146.A O no hydrogen 2.808 N/A HIS 119.A N HIS 94.A O no hydrogen 2.925 N/A HIS 119.A NE2 GLU 117.A OE2 no hydrogen 2.626 N/A LEU 120.A N LEU 144.A O no hydrogen 2.866 N/A VAL 121.A N GLN 92.A O no hydrogen 2.866 N/A HIS 122.A N ALA 142.A O no hydrogen 2.886 N/A HIS 122.A ND1 ALA 142.A O no hydrogen 3.152 N/A HIS 122.A NE2 TYR 51.A OH no hydrogen 2.695 N/A TRP 123.A N ARG 89.A O no hydrogen 2.930 N/A TRP 123.A NE1 ASP 72.A OD2 no hydrogen 2.818 N/A ASN 124.A N GLY 140.A O no hydrogen 2.846 N/A ASN 124.A ND2 ASP 139.A O no hydrogen 3.290 N/A THR 125.A N THR 87.A O no hydrogen 3.040 N/A THR 125.A OG1 THR 87.A O no hydrogen 3.322 N/A LYS 127.A N ASN 124.A OD1 no hydrogen 3.185 N/A TYR 128.A N ASN 124.A O no hydrogen 3.086 N/A TYR 128.A OH ASP 139.A OD1 no hydrogen 2.600 N/A GLY 129.A N THR 125.A O no hydrogen 3.202 N/A ASP 130.A N TYR 128.A O no hydrogen 2.969 N/A LYS 133.A N ASP 130.A O no hydrogen 3.205 N/A LYS 133.A N ASP 130.A OD1 no hydrogen 3.006 N/A LYS 133.A NZ ASP 130.A OD2 no hydrogen 3.067 N/A ALA 134.A N ASP 130.A O no hydrogen 2.994 N/A VAL 135.A N PHE 131.A O no hydrogen 3.012 N/A GLN 136.A N LYS 133.A O no hydrogen 3.044 N/A GLN 137.A N ALA 134.A O no hydrogen 2.971 N/A GLY 140.A N GLN 137.A O no hydrogen 3.054 N/A LEU 141.A N CYS 206.A O no hydrogen 2.881 N/A ALA 142.A N HIS 122.A O no hydrogen 2.852 N/A VAL 143.A N THR 208.A O no hydrogen 3.188 N/A LEU 144.A N LEU 120.A O no hydrogen 2.915 N/A GLY 145.A N ILE 210.A O no hydrogen 2.874 N/A ILE 146.A N LEU 118.A O no hydrogen 2.851 N/A LEU 148.A N ALA 116.A O no hydrogen 2.997 N/A LYS 149.A N ILE 216.A O no hydrogen 2.928 N/A GLY 151.A N VAL 218.A O no hydrogen 2.822 N/A SER 152.A OG.B SER 217.A OG no hydrogen 2.911 N/A LYS 154.A N GLN 222.A OE1 no hydrogen 3.004 N/A LYS 154.A NZ LEU 185.A O no hydrogen 3.534 N/A LEU 157.A N LYS 154.A O no hydrogen 2.943 N/A GLN 158.A N PRO 155.A O no hydrogen 3.074 N/A GLN 158.A NE2 ASP 162.A OD1 no hydrogen 3.277 N/A VAL 161.A N LEU 157.A O no hydrogen 3.092 N/A ASP 162.A N GLN 158.A O no hydrogen 2.910 N/A VAL 163.A N.A VAL 160.A O no hydrogen 3.161 N/A VAL 163.A N.B VAL 160.A O no hydrogen 3.152 N/A LEU 164.A N VAL 161.A O no hydrogen 3.295 N/A SER 166.A N.A VAL 163.A O.A no hydrogen 3.074 N/A SER 166.A N.A VAL 163.A O.B no hydrogen 2.607 N/A SER 166.A N.B VAL 163.A O.A no hydrogen 3.296 N/A SER 166.A N.B VAL 163.A O.B no hydrogen 2.821 N/A SER 166.A OG.A VAL 163.A O.A no hydrogen 2.882 N/A SER 166.A OG.A VAL 163.A O.B no hydrogen 2.811 N/A SER 166.A OG.B VAL 163.A O.B no hydrogen 3.402 N/A SER 166.A OG.B ASP 165.A OD2.B no hydrogen 3.193 N/A ILE 167.A N LEU 164.A O no hydrogen 3.059 N/A LYS 170.A N ASN 232.A O no hydrogen 2.960 N/A GLY 171.A N ASN 61.A O no hydrogen 2.760 N/A LYS 172.A N THR 169.A O no hydrogen 3.120 N/A LYS 172.A NZ GLU 234.A OE1 no hydrogen 2.909 N/A ALA 174.A N ILE 59.A O no hydrogen 2.891 N/A PHE 176.A N LEU 57.A O no hydrogen 2.944 N/A THR 177.A OG1 ASN 178.A OD1 no hydrogen 3.205 N/A PHE 179.A N SER 56.A OG no hydrogen 2.955 N/A ARG 182.A N ASP 180.A OD1 no hydrogen 2.903 N/A ARG 182.A NE ASP 180.A OD1 no hydrogen 3.097 N/A ARG 182.A NE ASP 180.A OD2 no hydrogen 3.192 N/A ARG 182.A NH2 ASP 180.A OD2 no hydrogen 2.864 N/A GLY 183.A N ASP 180.A O no hydrogen 3.329 N/A LEU 184.A N PRO 181.A O no hydrogen 2.964 N/A LEU 185.A N ARG 182.A O no hydrogen 3.387 N/A GLU 187.A N GLU 214.A OE2 no hydrogen 3.103 N/A SER 188.A N GLU 214.A OE1 no hydrogen 2.889 N/A ASP 190.A N SER 188.A OG no hydrogen 3.195 N/A TYR 191.A N SER 259.A OG no hydrogen 2.977 N/A TYR 191.A OH LYS 45.A O no hydrogen 2.644 N/A TRP 192.A N VAL 211.A O no hydrogen 2.870 N/A THR 193.A N LYS 257.A O no hydrogen 2.803 N/A THR 193.A OG1 TRP 209.A O no hydrogen 2.770 N/A TYR 194.A N TRP 209.A O no hydrogen 3.246 N/A TYR 194.A OH SER 29.A OG no hydrogen 2.764 N/A TYR 194.A OH HIS 107.A NE2 no hydrogen 2.647 N/A GLY 196.A N VAL 207.A O no hydrogen 2.743 N/A SER 197.A N SER 29.A OG no hydrogen 2.987 N/A SER 197.A OG LEU 198.A O no hydrogen 2.716 N/A LEU 198.A N LEU 204.A O no hydrogen 2.944 N/A THR 199.A OG1 GLU 106.A OE1 no hydrogen 2.644 N/A THR 199.A OG1 GLU 106.A OE2 no hydrogen 3.422 N/A LEU 203.A N THR 200.A O no hydrogen 2.888 N/A CYS 206.A SG LEU 204.A O no hydrogen 3.783 N/A VAL 207.A N GLY 196.A O no hydrogen 3.321 N/A THR 208.A N LEU 141.A O no hydrogen 2.868 N/A TRP 209.A N TYR 194.A O no hydrogen 2.954 N/A TRP 209.A NE1 SER 197.A O no hydrogen 2.944 N/A ILE 210.A N VAL 143.A O no hydrogen 3.056 N/A VAL 211.A N TRP 192.A O no hydrogen 2.852 N/A LEU 212.A N GLY 145.A O no hydrogen 2.949 N/A LYS 213.A N ASP 190.A O no hydrogen 3.005 N/A LYS 213.A NZ ASP 190.A OD2 no hydrogen 3.056 N/A ILE 216.A N PHE 147.A O no hydrogen 2.792 N/A SER 217.A OG SER 152.A O.A no hydrogen 2.693 N/A SER 217.A OG SER 152.A O.B no hydrogen 3.114 N/A SER 217.A OG SER 152.A OG.B no hydrogen 2.911 N/A VAL 218.A N LYS 149.A O no hydrogen 2.869 N/A SER 219.A N GLN 222.A OE1 no hydrogen 3.075 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.691 N/A GLN 222.A N SER 219.A OG no hydrogen 3.126 N/A GLN 222.A NE2 LYS 154.A O no hydrogen 3.056 N/A GLN 222.A NE2 GLN 158.A OE1 no hydrogen 2.923 N/A VAL 223.A N.A SER 219.A O no hydrogen 3.107 N/A VAL 223.A N.B SER 219.A O no hydrogen 3.109 N/A LEU 224.A N SER 220.A O no hydrogen 2.966 N/A LYS 225.A N GLU 221.A O no hydrogen 3.339 N/A LYS 225.A N GLN 222.A O no hydrogen 3.167 N/A ARG 227.A N VAL 223.A O.A no hydrogen 3.387 N/A ARG 227.A N VAL 223.A O.B no hydrogen 3.305 N/A ARG 227.A N LEU 224.A O no hydrogen 3.082 N/A ARG 227.A NE GLY 98.A O no hydrogen 2.883 N/A ARG 227.A NH1 ASP 101.A OD1 no hydrogen 3.507 N/A ARG 227.A NH2 ASP 101.A OD1 no hydrogen 2.867 N/A LYS 228.A N LYS 225.A O no hydrogen 3.173 N/A LEU 229.A N PHE 226.A O no hydrogen 3.293 N/A ASN 230.A N LYS 168.A O no hydrogen 2.918 N/A ASN 230.A ND2 GLU 238.A OE1 no hydrogen 3.037 N/A PHE 231.A N GLU 239.A O.A no hydrogen 2.990 N/A PHE 231.A N GLU 239.A O.B no hydrogen 2.997 N/A ASN 232.A ND2 ASN 230.A OD1 no hydrogen 3.568 N/A ASN 232.A ND2 GLY 233.A O no hydrogen 3.036 N/A GLY 233.A N GLU 236.A OE1 no hydrogen 2.874 N/A GLU 236.A N GLY 233.A O no hydrogen 3.123 N/A GLU 239.A N.A ASN 232.A OD1 no hydrogen 2.827 N/A GLU 239.A N.B ASN 232.A OD1 no hydrogen 2.888 N/A MET 241.A N LEU 229.A O no hydrogen 2.679 N/A ASN 244.A N TRP 97.A O no hydrogen 3.375 N/A ASN 244.A ND2 HIS 64.A O no hydrogen 2.942 N/A TRP 245.A NE1 ASP 243.A OD1 no hydrogen 2.957 N/A ARG 246.A N GLU 106.A OE2 no hydrogen 2.847 N/A ARG 246.A NH1 GLN 28.A OE1 no hydrogen 2.767 N/A ARG 246.A NH1 SER 29.A O no hydrogen 2.850 N/A ARG 246.A NH2 ALA 23.A O no hydrogen 3.310 N/A ARG 246.A NH2 GLN 28.A OE1 no hydrogen 3.349 N/A GLN 249.A N PRO 30.A O no hydrogen 2.829 N/A GLN 249.A NE2 PRO 247.A O no hydrogen 2.736 N/A LYS 252.A NZ LYS 24.A O no hydrogen 3.381 N/A LYS 252.A NZ GLY 25.A O no hydrogen 2.894 N/A ASN 253.A ND2 GLU 26.A OE1 no hydrogen 3.026 N/A ARG 254.A NE LEU 251.A O no hydrogen 2.892 N/A ARG 254.A NH1 GLN 28.A O no hydrogen 3.038 N/A ARG 254.A NH1 PRO 195.A O no hydrogen 2.901 N/A ARG 254.A NH2 GLN 28.A O no hydrogen 2.765 N/A ARG 254.A NH2 PRO 250.A O no hydrogen 3.024 N/A LYS 257.A N THR 193.A O no hydrogen 2.954 N/A LYS 257.A NZ ASP 41.A OD2 no hydrogen 3.250 N/A ALA 258.A N LYS 39.A O no hydrogen 2.784 N/A SER 259.A N TYR 191.A O no hydrogen 2.923 N/A SER 259.A OG TYR 191.A O no hydrogen 3.426 N/A