Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tjd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N VAL 74.A O no hydrogen 3.329 N/A GLU 3.A N TYR 26.A OH no hydrogen 2.851 N/A HIS 6.A N GLU 3.A O no hydrogen 3.209 N/A LEU 7.A N GLU 4.A O no hydrogen 3.235 N/A LYS 8.A N ARG 25.A O no hydrogen 2.713 N/A LYS 8.A NZ ASP 27.A OD2 no hydrogen 3.437 N/A LEU 10.A N MET 23.A O no hydrogen 2.814 N/A GLN 11.A N MET 23.A O no hydrogen 3.174 N/A GLN 11.A NE2 GLN 12.A O no hydrogen 3.551 N/A LEU 13.A N VAL 21.A O no hydrogen 2.654 N/A GLY 14.A N VAL 21.A O no hydrogen 3.098 N/A LYS 15.A NZ GLY 16.A O no hydrogen 2.849 N/A GLY 16.A N GLY 19.A O no hydrogen 3.123 N/A SER 20.A OG GLN 12.A OE1 no hydrogen 3.368 N/A SER 20.A OG GLY 14.A O no hydrogen 3.336 N/A VAL 21.A N GLY 14.A O no hydrogen 3.109 N/A GLU 22.A N VAL 39.A O no hydrogen 2.776 N/A MET 23.A N GLN 11.A O no hydrogen 2.490 N/A CYS 24.A N VAL 37.A O no hydrogen 2.824 N/A ARG 25.A N LYS 8.A O no hydrogen 2.726 N/A ARG 25.A NE GLY 34.A O no hydrogen 3.091 N/A ARG 25.A NH2 GLY 34.A O no hydrogen 3.425 N/A TYR 26.A N GLU 35.A O no hydrogen 3.118 N/A ASP 27.A N HIS 6.A O no hydrogen 2.784 N/A GLN 30.A N ASP 27.A O no hydrogen 3.067 N/A ASP 31.A N ASP 27.A OD1 no hydrogen 3.316 N/A ASN 32.A N ASP 27.A OD2 no hydrogen 2.906 N/A THR 33.A N ASP 27.A OD1 no hydrogen 3.463 N/A THR 33.A OG1 ASP 31.A OD1 no hydrogen 2.261 N/A THR 33.A OG1 ASP 31.A OD2 no hydrogen 3.079 N/A VAL 37.A N CYS 24.A O no hydrogen 2.660 N/A ALA 38.A N MET 83.A O no hydrogen 3.008 N/A VAL 39.A N GLU 22.A O no hydrogen 2.854 N/A LYS 40.A N LEU 81.A O no hydrogen 2.962 N/A LYS 40.A NZ GLU 56.A OE1 no hydrogen 3.284 N/A LYS 40.A NZ GLU 56.A OE2 no hydrogen 2.405 N/A LYS 40.A NZ ASP 148.A OD1 no hydrogen 3.182 N/A LYS 40.A NZ ASP 148.A OD2 no hydrogen 3.565 N/A LYS 41.A N SER 20.A O no hydrogen 2.907 N/A THR 46.A OG1 HIS 44.A O no hydrogen 3.317 N/A THR 46.A OG1 HIS 49.A ND1 no hydrogen 3.358 N/A LEU 50.A N THR 46.A O no hydrogen 2.552 N/A ARG 51.A N GLU 47.A O no hydrogen 3.067 N/A ARG 51.A N GLU 48.A O no hydrogen 3.193 N/A ASP 52.A N GLU 48.A O no hydrogen 3.250 N/A PHE 53.A N HIS 49.A O no hydrogen 2.929 N/A GLU 54.A N LEU 50.A O no hydrogen 3.080 N/A ARG 55.A N ARG 51.A O no hydrogen 3.174 N/A GLU 56.A N ASP 52.A O no hydrogen 2.784 N/A ILE 57.A N PHE 53.A O no hydrogen 2.964 N/A GLU 58.A N GLU 54.A O no hydrogen 3.227 N/A GLU 58.A N ARG 55.A O no hydrogen 2.925 N/A ILE 59.A N ARG 55.A O no hydrogen 2.868 N/A LEU 60.A N GLU 56.A O no hydrogen 2.971 N/A LYS 61.A N ILE 57.A O no hydrogen 3.028 N/A SER 62.A N GLU 58.A O no hydrogen 2.966 N/A SER 62.A N ILE 59.A O no hydrogen 3.235 N/A SER 62.A OG ILE 59.A O no hydrogen 2.861 N/A SER 62.A OG TYR 126.A OH no hydrogen 2.507 N/A LEU 63.A N LEU 60.A O no hydrogen 3.047 N/A GLN 64.A N TYR 120.A OH no hydrogen 3.276 N/A ASN 67.A N HIS 65.A ND1 no hydrogen 2.902 N/A ILE 68.A N HIS 65.A O no hydrogen 2.951 N/A VAL 69.A N ILE 146.A O no hydrogen 3.036 N/A LYS 70.A N GLU 84.A OE1 no hydrogen 2.856 N/A LYS 72.A N ILE 82.A O no hydrogen 2.723 N/A LYS 72.A NZ GLU 35.A OE1 no hydrogen 2.957 N/A LYS 72.A NZ GLU 35.A OE2 no hydrogen 3.255 N/A GLY 73.A N ILE 82.A O no hydrogen 3.049 N/A CYS 75.A N LYS 80.A O no hydrogen 2.803 N/A CYS 75.A SG PHE 2.A O no hydrogen 3.169 N/A ASN 78.A ND2 ASN 78.A O no hydrogen 2.832 N/A LYS 80.A N CYS 75.A O no hydrogen 3.152 N/A LYS 80.A NZ GLU 4.A OE1 no hydrogen 3.056 N/A LYS 80.A NZ GLU 4.A OE2 no hydrogen 2.686 N/A LEU 81.A N LYS 40.A O no hydrogen 2.949 N/A ILE 82.A N GLY 73.A O no hydrogen 2.764 N/A MET 83.A N ALA 38.A O no hydrogen 2.810 N/A GLU 84.A N LYS 70.A O no hydrogen 3.153 N/A TYR 88.A N VAL 138.A O no hydrogen 3.185 N/A GLY 89.A N LEU 86.A O no hydrogen 3.156 N/A LEU 91.A N ILE 136.A O no hydrogen 2.673 N/A ARG 92.A N THR 133.A O no hydrogen 3.077 N/A ASP 93.A N SER 90.A OG no hydrogen 3.144 N/A TYR 94.A N SER 90.A O no hydrogen 2.889 N/A LEU 95.A N LEU 91.A O no hydrogen 2.940 N/A GLN 96.A N ARG 92.A O no hydrogen 3.211 N/A GLN 96.A NE2 ILE 203.A O no hydrogen 2.948 N/A LYS 97.A N ASP 93.A O no hydrogen 3.022 N/A HIS 98.A N TYR 94.A O no hydrogen 2.916 N/A ARG 101.A N HIS 98.A O no hydrogen 2.920 N/A LYS 106.A N ASP 103.A OD2 no hydrogen 3.100 N/A LYS 106.A NZ ASN 142.A OD1 no hydrogen 2.830 N/A LEU 107.A N ASP 103.A O no hydrogen 3.079 N/A LEU 108.A N HIS 104.A O no hydrogen 3.046 N/A GLN 109.A N ILE 105.A O no hydrogen 3.105 N/A GLN 109.A N LYS 106.A O no hydrogen 2.795 N/A TYR 110.A N LYS 106.A O no hydrogen 2.929 N/A TYR 110.A OH GLU 141.A O no hydrogen 2.705 N/A THR 111.A N LEU 107.A O no hydrogen 2.891 N/A THR 111.A OG1 LEU 107.A O no hydrogen 2.698 N/A SER 112.A N LEU 108.A O no hydrogen 3.083 N/A SER 112.A OG ASP 276.A OD1 no hydrogen 2.574 N/A SER 112.A OG ASP 276.A OD2 no hydrogen 3.481 N/A GLN 113.A N GLN 109.A O no hydrogen 3.124 N/A GLN 113.A NE2 ASN 142.A O no hydrogen 2.731 N/A ILE 114.A N TYR 110.A O no hydrogen 2.980 N/A CYS 115.A N THR 111.A O no hydrogen 3.165 N/A CYS 115.A SG THR 111.A O no hydrogen 3.398 N/A LYS 116.A N SER 112.A O no hydrogen 3.123 N/A LYS 116.A NZ ASP 276.A OD2 no hydrogen 3.551 N/A GLY 117.A N GLN 113.A O no hydrogen 2.918 N/A MET 118.A N ILE 114.A O no hydrogen 2.908 N/A GLU 119.A N CYS 115.A O no hydrogen 2.931 N/A TYR 120.A N LYS 116.A O no hydrogen 3.253 N/A GLY 122.A N MET 118.A O no hydrogen 3.008 N/A THR 123.A N GLU 119.A O no hydrogen 3.069 N/A THR 123.A N TYR 120.A O no hydrogen 3.169 N/A LYS 124.A N LEU 121.A O no hydrogen 2.724 N/A LYS 124.A NZ SER 62.A O no hydrogen 3.053 N/A ARG 125.A N GLY 122.A O no hydrogen 3.027 N/A ARG 125.A NH1 GLU 160.A OE1 no hydrogen 2.905 N/A ARG 125.A NH1 GLU 160.A OE2 no hydrogen 3.531 N/A ARG 125.A NH2 PRO 156.A O no hydrogen 2.912 N/A ARG 125.A NH2 GLU 160.A OE1 no hydrogen 2.920 N/A TYR 126.A N LEU 121.A O no hydrogen 3.065 N/A TYR 126.A OH SER 62.A OG no hydrogen 2.507 N/A ILE 127.A N LYS 153.A O no hydrogen 2.756 N/A HIS 128.A N ASP 188.A OD2 no hydrogen 3.012 N/A ARG 129.A N ASP 188.A OD1 no hydrogen 3.091 N/A ARG 129.A NH1 LEU 151.A O no hydrogen 2.959 N/A ARG 129.A NH1 GLU 164.A OE1 no hydrogen 3.090 N/A ARG 129.A NH1 GLU 164.A OE2 no hydrogen 3.202 N/A ARG 129.A NH2 GLU 164.A OE1 no hydrogen 2.846 N/A ALA 132.A N ASN 135.A OD1 no hydrogen 3.380 N/A THR 133.A N GLU 198.A OE2 no hydrogen 3.150 N/A THR 133.A OG1 GLU 198.A OE1 no hydrogen 2.754 N/A ARG 134.A NH2 ASP 130.A OD2 no hydrogen 3.526 N/A ASN 135.A N ALA 132.A O no hydrogen 2.907 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.884 N/A ILE 136.A N THR 133.A O no hydrogen 3.498 N/A LEU 137.A N LYS 145.A O no hydrogen 2.661 N/A VAL 138.A N GLY 89.A O no hydrogen 2.667 N/A GLU 139.A N ARG 143.A O no hydrogen 2.924 N/A ASN 140.A N ARG 143.A O no hydrogen 3.345 N/A ASN 142.A N ASN 140.A OD1 no hydrogen 2.560 N/A ARG 143.A N ASN 140.A O no hydrogen 2.765 N/A VAL 144.A N GLN 113.A OE1 no hydrogen 2.764 N/A LYS 145.A N LEU 137.A O no hydrogen 2.775 N/A LYS 145.A NZ GLU 84.A OE1 no hydrogen 2.667 N/A LYS 145.A NZ GLU 84.A OE2 no hydrogen 3.516 N/A ILE 146.A N ASN 67.A O no hydrogen 2.778 N/A GLY 147.A N ASN 135.A O no hydrogen 2.642 N/A GLY 150.A N ASP 148.A OD2 no hydrogen 2.985 N/A THR 152.A N PHE 149.A O no hydrogen 3.305 N/A LYS 153.A N ILE 127.A O no hydrogen 2.951 N/A LEU 155.A N ARG 125.A O no hydrogen 2.965 N/A LYS 159.A N PRO 156.A O no hydrogen 3.385 N/A VAL 162.A N SER 181.A O no hydrogen 3.250 N/A ILE 170.A N SER 168.A O no hydrogen 2.797 N/A TRP 172.A N PRO 169.A O no hydrogen 3.016 N/A TRP 172.A NE1 GLU 198.A OE2 no hydrogen 2.875 N/A TYR 173.A N ILE 170.A O no hydrogen 2.977 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.501 N/A SER 177.A N ALA 174.A O no hydrogen 3.096 N/A SER 177.A OG LYS 182.A O no hydrogen 2.571 N/A LEU 178.A N ALA 174.A O no hydrogen 3.248 N/A LEU 178.A N PRO 175.A O no hydrogen 3.167 N/A THR 179.A N PRO 175.A O no hydrogen 2.935 N/A THR 179.A OG1 PRO 175.A O no hydrogen 2.861 N/A GLU 180.A N GLU 176.A O no hydrogen 2.792 N/A LYS 182.A N GLU 176.A O no hydrogen 3.305 N/A SER 184.A N SER 187.A OG no hydrogen 2.805 N/A SER 187.A N SER 184.A O no hydrogen 3.093 N/A SER 187.A OG SER 184.A O no hydrogen 2.900 N/A ASP 188.A N SER 184.A O no hydrogen 3.142 N/A ASP 188.A N VAL 185.A O no hydrogen 2.880 N/A VAL 189.A N VAL 185.A O no hydrogen 2.972 N/A TRP 190.A N ALA 186.A O no hydrogen 3.132 N/A SER 191.A N SER 187.A O no hydrogen 3.156 N/A SER 191.A OG TRP 172.A O no hydrogen 3.053 N/A SER 191.A OG SER 187.A O no hydrogen 2.949 N/A PHE 192.A N ASP 188.A O no hydrogen 2.874 N/A GLY 193.A N VAL 189.A O no hydrogen 3.143 N/A VAL 194.A N SER 191.A O no hydrogen 3.009 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 2.837 N/A TYR 197.A N GLY 193.A O no hydrogen 3.091 N/A TYR 197.A OH LYS 207.A O no hydrogen 2.711 N/A GLU 198.A N VAL 194.A O no hydrogen 2.875 N/A LEU 199.A N VAL 195.A O no hydrogen 3.002 N/A PHE 200.A N LEU 196.A O no hydrogen 3.228 N/A THR 201.A N GLU 198.A O no hydrogen 2.940 N/A THR 201.A OG1 GLU 198.A O no hydrogen 2.641 N/A TYR 202.A N LEU 199.A O no hydrogen 3.089 N/A TYR 202.A OH ILE 102.A O no hydrogen 2.747 N/A ILE 203.A N THR 201.A OG1 no hydrogen 3.189 N/A GLU 204.A N THR 201.A O no hydrogen 3.208 N/A LYS 207.A N GLU 204.A O no hydrogen 2.732 N/A ALA 211.A N SER 208.A OG no hydrogen 3.201 N/A GLU 212.A N SER 208.A O no hydrogen 2.793 N/A PHE 213.A N PRO 209.A O no hydrogen 2.890 N/A MET 214.A N PRO 210.A O no hydrogen 2.960 N/A ARG 215.A N ALA 211.A O no hydrogen 3.091 N/A ARG 215.A NH1 SER 206.A O no hydrogen 3.156 N/A ARG 215.A NH2 SER 206.A O no hydrogen 2.690 N/A MET 216.A N GLU 212.A O no hydrogen 3.210 N/A ILE 217.A N PHE 213.A O no hydrogen 2.730 N/A GLY 218.A N MET 214.A O no hydrogen 2.663 N/A HIS 229.A N MET 225.A O no hydrogen 3.024 N/A LEU 230.A N ILE 226.A O no hydrogen 2.964 N/A ILE 231.A N VAL 227.A O no hydrogen 2.796 N/A GLU 232.A N PHE 228.A O no hydrogen 3.142 N/A LEU 233.A N HIS 229.A O no hydrogen 2.904 N/A LEU 234.A N LEU 230.A O no hydrogen 3.158 N/A LYS 235.A N ILE 231.A O no hydrogen 3.000 N/A ASN 236.A N GLU 232.A O no hydrogen 2.972 N/A ASN 237.A N LEU 234.A O no hydrogen 3.242 N/A GLY 238.A N LEU 233.A O no hydrogen 2.566 N/A ARG 239.A NE TRP 258.A O no hydrogen 2.726 N/A ARG 239.A NH1 LEU 234.A O no hydrogen 3.389 N/A ARG 239.A NH1 GLY 238.A O no hydrogen 2.841 N/A ARG 239.A NH2 TRP 258.A O no hydrogen 2.908 N/A ARG 239.A NH2 ASN 260.A OD1 no hydrogen 3.139 N/A ARG 242.A NE CYS 246.A O no hydrogen 2.542 N/A ARG 242.A NH2 CYS 246.A O no hydrogen 3.190 N/A CYS 246.A N PRO 243.A O no hydrogen 3.132 N/A CYS 246.A SG PRO 247.A O no hydrogen 3.534 N/A ILE 250.A N PRO 247.A O no hydrogen 2.813 N/A TYR 251.A N PRO 247.A O no hydrogen 3.050 N/A TYR 251.A OH LEU 240.A O no hydrogen 2.864 N/A MET 252.A N ASP 248.A O no hydrogen 3.201 N/A ILE 253.A N ILE 250.A O no hydrogen 3.012 N/A MET 254.A N ILE 250.A O no hydrogen 3.240 N/A THR 255.A N TYR 251.A O no hydrogen 2.904 N/A THR 255.A OG1 TYR 251.A O no hydrogen 3.143 N/A THR 255.A OG1 MET 252.A O no hydrogen 2.912 N/A GLU 256.A N MET 252.A O no hydrogen 2.985 N/A CYS 257.A N ILE 253.A O no hydrogen 3.118 N/A CYS 257.A SG ILE 253.A O no hydrogen 3.252 N/A TRP 258.A N MET 254.A O no hydrogen 3.055 N/A TRP 258.A N THR 255.A O no hydrogen 3.124 N/A ASN 259.A ND2 GLN 264.A OE1 no hydrogen 3.131 N/A ASN 260.A ND2 LEU 234.A O no hydrogen 3.061 N/A ASN 261.A N ASN 259.A OD1 no hydrogen 2.716 N/A ASN 261.A ND2 ASN 259.A OD1 no hydrogen 3.264 N/A ASN 261.A ND2 GLN 264.A OE1 no hydrogen 3.051 N/A GLN 264.A N ASN 261.A O no hydrogen 2.831 N/A ARG 265.A NE ASN 259.A O no hydrogen 2.814 N/A ARG 265.A NH1 GLU 176.A OE2 no hydrogen 2.870 N/A ARG 265.A NH1 ALA 186.A O no hydrogen 2.859 N/A ARG 265.A NH2 GLU 176.A OE1 no hydrogen 3.051 N/A ARG 265.A NH2 GLU 176.A OE2 no hydrogen 3.430 N/A ARG 265.A NH2 ASN 259.A O no hydrogen 3.049 N/A ASP 270.A N SER 267.A OG no hydrogen 3.132 N/A LEU 271.A N SER 267.A O no hydrogen 2.969 N/A ALA 272.A N PHE 268.A O no hydrogen 2.949 N/A LEU 273.A N ARG 269.A O no hydrogen 3.088 N/A ARG 274.A N ASP 270.A O no hydrogen 2.932 N/A ARG 274.A NH1 GLU 256.A OE1 no hydrogen 2.691 N/A ARG 274.A NH2 GLU 256.A OE2 no hydrogen 2.855 N/A VAL 275.A N LEU 271.A O no hydrogen 3.104 N/A ASP 276.A N ALA 272.A O no hydrogen 2.873 N/A GLN 277.A N LEU 273.A O no hydrogen 3.133 N/A ILE 278.A N ARG 274.A O no hydrogen 3.015 N/A ARG 279.A N VAL 275.A O no hydrogen 2.764 N/A ARG 279.A NH1 ASP 276.A OD1 no hydrogen 3.092 N/A ASP 280.A N ASP 276.A O no hydrogen 3.033 N/A ASN 281.A N GLN 277.A O no hydrogen 3.036 N/A MET 282.A N ILE 278.A O no hydrogen 3.036 N/A MET 282.A N ARG 279.A O no hydrogen 2.828 N/A ALA 283.A N ARG 279.A O no hydrogen 2.952 N/A ALA 283.A N ASP 280.A O no hydrogen 2.756 N/A GLY 284.A N ASP 280.A O no hydrogen 3.233 N/A