Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lpb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N VAL 75.A O no hydrogen 2.965 N/A GLU 4.A N TYR 27.A OH no hydrogen 3.015 N/A HIS 7.A N GLU 4.A O no hydrogen 2.907 N/A HIS 7.A ND1 GLN 31.A OE1 no hydrogen 3.069 N/A LEU 8.A N GLU 5.A O no hydrogen 3.179 N/A LYS 9.A N ARG 26.A O no hydrogen 2.846 N/A LYS 9.A NZ ASP 28.A OD2 no hydrogen 2.741 N/A LEU 11.A N MET 24.A O no hydrogen 2.815 N/A GLN 12.A N MET 24.A O no hydrogen 3.238 N/A GLN 12.A NE2 GLN 13.A O no hydrogen 3.504 N/A GLN 13.A NE2 SER 21.A OG no hydrogen 2.922 N/A LEU 14.A N VAL 22.A O no hydrogen 2.669 N/A GLY 15.A N VAL 22.A O no hydrogen 3.302 N/A GLY 17.A N GLY 20.A O no hydrogen 3.046 N/A ASN 18.A ND2 ASP 130.A OD2 no hydrogen 2.875 N/A GLY 20.A N GLY 17.A O no hydrogen 2.866 N/A SER 21.A N LYS 42.A O no hydrogen 2.815 N/A VAL 22.A N GLY 15.A O no hydrogen 2.939 N/A GLU 23.A N VAL 40.A O no hydrogen 2.783 N/A MET 24.A N GLN 12.A O no hydrogen 2.714 N/A CYS 25.A N VAL 38.A O no hydrogen 3.020 N/A CYS 25.A SG GLU 23.A OE1 no hydrogen 3.796 N/A ARG 26.A N LYS 9.A O no hydrogen 2.843 N/A ARG 26.A NH2 GLY 35.A O no hydrogen 2.786 N/A TYR 27.A N GLU 36.A O no hydrogen 2.886 N/A ASP 28.A N HIS 7.A O no hydrogen 2.870 N/A GLN 31.A N ASP 28.A O no hydrogen 2.830 N/A ASN 33.A N ASP 28.A OD2 no hydrogen 2.815 N/A THR 34.A N ASP 28.A OD1 no hydrogen 3.074 N/A THR 34.A N ASP 32.A OD1 no hydrogen 3.250 N/A THR 34.A OG1 ASP 32.A OD1 no hydrogen 2.628 N/A THR 34.A OG1 ASP 32.A OD2 no hydrogen 3.305 N/A GLY 35.A N ASP 28.A OD1 no hydrogen 3.143 N/A VAL 38.A N CYS 25.A O no hydrogen 2.772 N/A ALA 39.A N MET 83.A O no hydrogen 2.861 N/A VAL 40.A N GLU 23.A O no hydrogen 2.855 N/A LYS 41.A N LEU 81.A O no hydrogen 2.820 N/A LYS 41.A NZ GLU 57.A OE1 no hydrogen 3.525 N/A LYS 41.A NZ GLU 57.A OE2 no hydrogen 2.580 N/A LYS 41.A NZ ASP 148.A OD1 no hydrogen 2.926 N/A LYS 42.A N SER 21.A O no hydrogen 2.779 N/A GLN 44.A N PHE 19.A O no hydrogen 2.767 N/A GLN 44.A NE2 GLY 20.A O no hydrogen 2.943 N/A THR 47.A N HIS 45.A O no hydrogen 3.220 N/A THR 47.A OG1 HIS 50.A ND1 no hydrogen 3.289 N/A LEU 51.A N THR 47.A O no hydrogen 3.069 N/A ARG 52.A N GLU 48.A O no hydrogen 3.072 N/A ASP 53.A N GLU 49.A O no hydrogen 3.099 N/A PHE 54.A N HIS 50.A O no hydrogen 2.957 N/A GLU 55.A N LEU 51.A O no hydrogen 2.955 N/A ARG 56.A N ARG 52.A O no hydrogen 3.233 N/A GLU 57.A N ASP 53.A O no hydrogen 2.941 N/A ILE 58.A N PHE 54.A O no hydrogen 2.970 N/A GLU 59.A N GLU 55.A O no hydrogen 3.185 N/A ILE 60.A N ARG 56.A O no hydrogen 2.902 N/A LEU 61.A N GLU 57.A O no hydrogen 2.920 N/A LYS 62.A N ILE 58.A O no hydrogen 2.886 N/A SER 63.A N GLU 59.A O no hydrogen 3.039 N/A SER 63.A OG ILE 60.A O no hydrogen 2.674 N/A SER 63.A OG TYR 126.A OH no hydrogen 2.634 N/A LEU 64.A N LEU 61.A O no hydrogen 3.000 N/A GLN 65.A N TYR 120.A OH no hydrogen 2.931 N/A ASN 68.A N HIS 66.A ND1 no hydrogen 2.885 N/A ASN 68.A ND2 VAL 144.A O no hydrogen 2.938 N/A ILE 69.A N HIS 66.A O no hydrogen 3.091 N/A VAL 70.A N ILE 146.A O no hydrogen 3.005 N/A LYS 71.A N GLU 84.A OE2 no hydrogen 2.921 N/A LYS 73.A N ILE 82.A O no hydrogen 2.786 N/A LYS 73.A NZ GLU 36.A OE1 no hydrogen 3.421 N/A LYS 73.A NZ GLU 36.A OE2 no hydrogen 3.000 N/A GLY 74.A N ILE 82.A O no hydrogen 3.155 N/A VAL 75.A N THR 1.A O no hydrogen 3.010 N/A CYS 76.A N LYS 80.A O no hydrogen 2.880 N/A CYS 76.A SG PHE 3.A O no hydrogen 3.418 N/A LYS 80.A N CYS 76.A O no hydrogen 2.698 N/A LEU 81.A N LYS 41.A O no hydrogen 2.901 N/A ILE 82.A N GLY 74.A O no hydrogen 2.793 N/A MET 83.A N ALA 39.A O no hydrogen 2.810 N/A GLU 84.A N LYS 71.A O no hydrogen 3.062 N/A TYR 88.A N VAL 138.A O no hydrogen 3.253 N/A GLY 89.A N LEU 86.A O no hydrogen 3.236 N/A SER 90.A OG.A ASP 93.A OD2 no hydrogen 2.929 N/A SER 90.A OG.B THR 133.A O no hydrogen 3.147 N/A SER 90.A OG.B ARG 134.A O no hydrogen 3.108 N/A SER 90.A OG.B ILE 136.A O no hydrogen 3.394 N/A LEU 91.A N ILE 136.A O no hydrogen 2.706 N/A ARG 92.A N SER 90.A OG.B no hydrogen 3.235 N/A ASP 93.A N SER 90.A O.A no hydrogen 2.819 N/A ASP 93.A N SER 90.A OG.A no hydrogen 3.148 N/A TYR 94.A N SER 90.A O.A no hydrogen 2.934 N/A TYR 94.A N SER 90.A O.B no hydrogen 2.965 N/A LEU 95.A N LEU 91.A O no hydrogen 2.888 N/A GLN 96.A N ARG 92.A O no hydrogen 3.476 N/A LYS 97.A N ASP 93.A O no hydrogen 2.996 N/A HIS 98.A N TYR 94.A O no hydrogen 2.893 N/A HIS 98.A N LEU 95.A O no hydrogen 3.239 N/A HIS 98.A ND1 TYR 94.A O no hydrogen 3.073 N/A ARG 101.A N HIS 98.A O no hydrogen 2.807 N/A ILE 102.A N LYS 99.A O no hydrogen 3.432 N/A HIS 104.A NE2 GLY 240.A O no hydrogen 3.118 N/A LYS 106.A N ASP 103.A OD1 no hydrogen 2.994 N/A LYS 106.A NZ GLN 109.A OE1 no hydrogen 2.738 N/A LYS 106.A NZ GLU 141.A O no hydrogen 3.289 N/A LEU 107.A N ASP 103.A O no hydrogen 3.017 N/A LEU 108.A N HIS 104.A O no hydrogen 3.013 N/A GLN 109.A N ILE 105.A O no hydrogen 3.075 N/A TYR 110.A N LYS 106.A O no hydrogen 3.147 N/A TYR 110.A OH GLU 141.A O no hydrogen 2.695 N/A THR 111.A N LEU 107.A O no hydrogen 2.794 N/A THR 111.A OG1 LEU 107.A O no hydrogen 2.712 N/A SER 112.A N LEU 108.A O no hydrogen 2.882 N/A SER 112.A OG ASP 271.A OD1 no hydrogen 2.653 N/A GLN 113.A N GLN 109.A O no hydrogen 3.139 N/A GLN 113.A NE2 ASN 142.A O no hydrogen 2.888 N/A ILE 114.A N TYR 110.A O no hydrogen 2.940 N/A CYS 115.A N THR 111.A O no hydrogen 2.949 N/A CYS 115.A SG THR 111.A O no hydrogen 3.362 N/A LYS 116.A N SER 112.A O no hydrogen 3.059 N/A LYS 116.A NZ SER 112.A OG no hydrogen 3.176 N/A LYS 116.A NZ ASP 271.A OD2 no hydrogen 3.033 N/A GLY 117.A N GLN 113.A O no hydrogen 2.972 N/A MET 118.A N ILE 114.A O no hydrogen 2.903 N/A GLU 119.A N CYS 115.A O no hydrogen 2.793 N/A TYR 120.A N LYS 116.A O no hydrogen 3.085 N/A LEU 121.A N GLY 117.A O no hydrogen 3.100 N/A GLY 122.A N MET 118.A O no hydrogen 2.981 N/A THR 123.A N GLU 119.A O no hydrogen 3.061 N/A THR 123.A N TYR 120.A O no hydrogen 3.145 N/A THR 123.A OG1 TYR 120.A O no hydrogen 2.568 N/A LYS 124.A N LEU 121.A O no hydrogen 2.840 N/A ARG 125.A N GLY 122.A O no hydrogen 2.905 N/A ARG 125.A NH1 GLU 160.A OE2 no hydrogen 3.041 N/A ARG 125.A NH2 PRO 156.A O no hydrogen 2.904 N/A ARG 125.A NH2 LYS 159.A O no hydrogen 2.821 N/A ARG 125.A NH2 GLU 160.A OE2 no hydrogen 3.288 N/A TYR 126.A N LEU 121.A O no hydrogen 3.076 N/A TYR 126.A OH SER 63.A OG no hydrogen 2.634 N/A ILE 127.A N LYS 153.A O no hydrogen 2.835 N/A HIS 128.A N ASP 188.A OD2 no hydrogen 2.814 N/A HIS 128.A NE2 ASP 148.A O no hydrogen 2.629 N/A ARG 129.A N ASP 188.A OD1 no hydrogen 3.019 N/A ARG 129.A NH1 LEU 151.A O no hydrogen 2.947 N/A ARG 129.A NH1 GLU 164.A OE1 no hydrogen 3.485 N/A ARG 129.A NH1 GLU 164.A OE2 no hydrogen 3.067 N/A ARG 129.A NH2 GLU 164.A OE1 no hydrogen 3.189 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.155 N/A THR 133.A N GLU 198.A OE2 no hydrogen 2.923 N/A THR 133.A OG1 GLU 198.A OE1 no hydrogen 2.711 N/A ARG 134.A NH1 ASP 130.A OD1 no hydrogen 3.154 N/A ASN 135.A N ALA 132.A O no hydrogen 2.896 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.683 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 2.954 N/A ILE 136.A N THR 133.A O no hydrogen 3.100 N/A LEU 137.A N LYS 145.A O no hydrogen 2.814 N/A VAL 138.A N GLY 89.A O no hydrogen 2.763 N/A GLU 139.A N ARG 143.A O no hydrogen 2.944 N/A ASN 140.A N ARG 143.A O no hydrogen 3.375 N/A ASN 142.A N ASN 140.A OD1 no hydrogen 2.778 N/A ARG 143.A N ASN 140.A O no hydrogen 3.184 N/A VAL 144.A N GLN 113.A OE1 no hydrogen 2.865 N/A LYS 145.A N LEU 137.A O no hydrogen 2.885 N/A LYS 145.A NZ GLU 84.A OE1 no hydrogen 3.511 N/A LYS 145.A NZ GLU 84.A OE2 no hydrogen 2.638 N/A ILE 146.A N ASN 68.A O no hydrogen 2.867 N/A GLY 147.A N ASN 135.A O no hydrogen 2.833 N/A GLY 150.A N ASP 148.A OD2 no hydrogen 2.867 N/A THR 152.A N PHE 149.A O no hydrogen 3.116 N/A THR 152.A OG1 HIS 128.A O no hydrogen 3.383 N/A THR 152.A OG1 PHE 149.A O no hydrogen 3.392 N/A LYS 153.A N ILE 127.A O no hydrogen 2.915 N/A LEU 155.A N ARG 125.A O no hydrogen 2.888 N/A LYS 161.A NZ GLU 180.A O no hydrogen 3.455 N/A VAL 162.A N SER 181.A O no hydrogen 3.079 N/A SER 168.A OG TYR 173.A OH no hydrogen 3.196 N/A ILE 170.A N SER 168.A O no hydrogen 2.753 N/A TRP 172.A N PRO 169.A O no hydrogen 3.014 N/A TRP 172.A NE1 GLU 198.A OE2 no hydrogen 2.821 N/A TYR 173.A N ILE 170.A O no hydrogen 3.121 N/A TYR 173.A OH SER 168.A OG no hydrogen 3.196 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.874 N/A SER 177.A N ALA 174.A O no hydrogen 2.937 N/A SER 177.A OG LYS 182.A O no hydrogen 2.729 N/A LEU 178.A N ALA 174.A O no hydrogen 3.108 N/A THR 179.A N PRO 175.A O no hydrogen 2.767 N/A THR 179.A OG1 PRO 175.A O no hydrogen 3.071 N/A GLU 180.A N GLU 176.A O no hydrogen 2.918 N/A LYS 182.A N GLU 176.A O no hydrogen 3.336 N/A SER 184.A N SER 187.A OG no hydrogen 2.834 N/A SER 187.A N SER 184.A OG no hydrogen 3.133 N/A SER 187.A OG SER 184.A O no hydrogen 2.989 N/A ASP 188.A N SER 184.A O no hydrogen 3.083 N/A VAL 189.A N VAL 185.A O no hydrogen 2.879 N/A TRP 190.A N ALA 186.A O no hydrogen 3.017 N/A SER 191.A N SER 187.A O no hydrogen 2.987 N/A SER 191.A OG TRP 172.A O no hydrogen 2.685 N/A SER 191.A OG SER 187.A O no hydrogen 3.270 N/A PHE 192.A N ASP 188.A O no hydrogen 2.748 N/A GLY 193.A N VAL 189.A O no hydrogen 3.015 N/A VAL 194.A N TRP 190.A O no hydrogen 3.311 N/A VAL 195.A N SER 191.A O no hydrogen 2.928 N/A LEU 196.A N PHE 192.A O no hydrogen 2.877 N/A TYR 197.A N GLY 193.A O no hydrogen 3.000 N/A TYR 197.A OH LYS 207.A O no hydrogen 2.616 N/A GLU 198.A N VAL 194.A O no hydrogen 2.827 N/A LEU 199.A N VAL 195.A O no hydrogen 2.853 N/A PHE 200.A N LEU 196.A O no hydrogen 3.130 N/A THR 201.A N TYR 197.A O no hydrogen 2.954 N/A THR 201.A OG1 TYR 197.A O no hydrogen 3.529 N/A THR 201.A OG1 GLU 198.A O no hydrogen 2.852 N/A TYR 202.A N LEU 199.A O no hydrogen 2.882 N/A TYR 202.A OH ILE 102.A O no hydrogen 2.614 N/A ILE 203.A N GLU 198.A O no hydrogen 3.346 N/A GLU 204.A N THR 201.A O no hydrogen 3.048 N/A LYS 207.A N GLU 204.A O no hydrogen 2.793 N/A SER 208.A N LYS 205.A O no hydrogen 3.231 N/A SER 208.A OG LYS 205.A O no hydrogen 3.404 N/A ALA 211.A N SER 208.A OG no hydrogen 3.093 N/A GLU 212.A N SER 208.A O no hydrogen 2.928 N/A PHE 213.A N PRO 209.A O no hydrogen 3.030 N/A MET 214.A N PRO 210.A O no hydrogen 2.935 N/A ARG 215.A N ALA 211.A O no hydrogen 3.133 N/A ARG 215.A NH1 SER 206.A O no hydrogen 3.143 N/A ARG 215.A NH2 SER 206.A O no hydrogen 2.871 N/A MET 216.A N GLU 212.A O no hydrogen 3.093 N/A ILE 217.A N PHE 213.A O no hydrogen 2.857 N/A GLY 218.A N ARG 215.A O no hydrogen 3.060 N/A HIS 224.A N MET 220.A O no hydrogen 3.235 N/A LEU 225.A N ILE 221.A O no hydrogen 2.853 N/A ILE 226.A N VAL 222.A O no hydrogen 2.910 N/A GLU 227.A N PHE 223.A O no hydrogen 3.201 N/A LEU 228.A N HIS 224.A O no hydrogen 2.975 N/A LEU 229.A N LEU 225.A O no hydrogen 3.012 N/A LYS 230.A N ILE 226.A O no hydrogen 3.018 N/A ASN 231.A N GLU 227.A O no hydrogen 2.942 N/A ASN 232.A N LEU 229.A O no hydrogen 2.927 N/A GLY 233.A N LEU 228.A O no hydrogen 2.829 N/A ARG 234.A NE TRP 253.A O no hydrogen 3.137 N/A ARG 234.A NH1 LEU 229.A O no hydrogen 3.010 N/A ARG 234.A NH1 GLY 233.A O no hydrogen 2.831 N/A ARG 234.A NH2 TRP 253.A O no hydrogen 2.786 N/A ARG 234.A NH2 ASN 255.A OD1 no hydrogen 3.056 N/A ARG 237.A NH2 CYS 241.A O no hydrogen 2.954 N/A CYS 241.A N PRO 238.A O no hydrogen 2.737 N/A CYS 241.A SG PRO 242.A O no hydrogen 3.362 N/A ILE 245.A N PRO 242.A O no hydrogen 3.251 N/A TYR 246.A N PRO 242.A O no hydrogen 3.013 N/A TYR 246.A OH LEU 235.A O no hydrogen 2.600 N/A MET 247.A N ASP 243.A O no hydrogen 2.839 N/A MET 249.A N ILE 245.A O no hydrogen 3.281 N/A THR 250.A N TYR 246.A O no hydrogen 2.884 N/A THR 250.A OG1 TYR 246.A O no hydrogen 3.310 N/A THR 250.A OG1 MET 247.A O no hydrogen 3.060 N/A GLU 251.A N MET 247.A O no hydrogen 3.019 N/A CYS 252.A N ILE 248.A O no hydrogen 3.064 N/A CYS 252.A SG ILE 248.A O no hydrogen 3.288 N/A TRP 253.A N MET 249.A O no hydrogen 3.041 N/A ASN 254.A ND2 GLN 259.A OE1 no hydrogen 3.297 N/A ASN 255.A ND2 LEU 229.A O no hydrogen 3.182 N/A ASN 256.A N ASN 254.A OD1 no hydrogen 2.871 N/A ASN 256.A ND2 ASN 254.A OD1 no hydrogen 3.162 N/A ASN 256.A ND2 GLN 259.A OE1 no hydrogen 3.032 N/A GLN 259.A N ASN 256.A O no hydrogen 2.969 N/A ARG 260.A N VAL 257.A O no hydrogen 3.518 N/A ARG 260.A NE ASN 254.A O no hydrogen 2.815 N/A ARG 260.A NH1 GLU 176.A OE2 no hydrogen 2.819 N/A ARG 260.A NH1 ALA 186.A O no hydrogen 3.007 N/A ARG 260.A NH2 GLU 176.A OE1 no hydrogen 2.746 N/A ARG 260.A NH2 GLU 176.A OE2 no hydrogen 3.508 N/A ARG 260.A NH2 ASN 254.A O no hydrogen 3.069 N/A ASP 265.A N SER 262.A OG no hydrogen 3.059 N/A LEU 266.A N SER 262.A O no hydrogen 2.915 N/A ALA 267.A N PHE 263.A O no hydrogen 2.960 N/A LEU 268.A N ARG 264.A O no hydrogen 3.087 N/A ARG 269.A N ASP 265.A O no hydrogen 3.030 N/A ARG 269.A NH1 GLU 251.A OE1 no hydrogen 2.622 N/A ARG 269.A NH2 GLU 251.A OE1 no hydrogen 3.090 N/A ARG 269.A NH2 GLU 251.A OE2 no hydrogen 3.088 N/A VAL 270.A N LEU 266.A O no hydrogen 2.963 N/A ASP 271.A N ALA 267.A O no hydrogen 2.840 N/A GLN 272.A N LEU 268.A O no hydrogen 2.924 N/A ILE 273.A N ARG 269.A O no hydrogen 3.033 N/A ARG 274.A N VAL 270.A O no hydrogen 2.916 N/A ARG 274.A NH1 ASP 271.A OD1 no hydrogen 2.652 N/A ASP 275.A N ASP 271.A O no hydrogen 3.114 N/A ASN 276.A N GLN 272.A O no hydrogen 2.987 N/A MET 277.A N ILE 273.A O no hydrogen 3.058 N/A MET 277.A N ARG 274.A O no hydrogen 3.121 N/A ALA 278.A N ARG 274.A O no hydrogen 3.086 N/A ALA 278.A N ASP 275.A O no hydrogen 3.018 N/A