Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kdt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N GLU 2.A O no hydrogen 3.386 N/A LYS 7.A N THR 3.A O no hydrogen 2.982 N/A LEU 9.A N ASP 5.A O no hydrogen 3.348 N/A ALA 10.A N LEU 6.A O no hydrogen 3.088 N/A LYS 11.A N SER 8.A O no hydrogen 2.758 N/A ARG 12.A N SER 8.A O no hydrogen 3.138 N/A ARG 12.A NH2 SER 8.A OG no hydrogen 3.281 N/A ILE 13.A N LEU 9.A O no hydrogen 3.072 N/A TYR 14.A N ALA 10.A O no hydrogen 3.267 N/A GLU 15.A N LYS 11.A O no hydrogen 2.771 N/A ALA 16.A N ARG 12.A O no hydrogen 3.202 N/A TYR 17.A N ILE 13.A O no hydrogen 2.758 N/A TYR 17.A OH ASP 169.A OD1 no hydrogen 3.154 N/A LEU 18.A N TYR 14.A O no hydrogen 2.883 N/A LYS 19.A N GLU 15.A O no hydrogen 2.759 N/A ASN 20.A N ALA 16.A O no hydrogen 2.942 N/A ASN 20.A ND2 ALA 16.A O no hydrogen 3.341 N/A ASN 22.A N GLU 83.A OE1 no hydrogen 2.611 N/A LYS 25.A N ASP 169.A OD1 no hydrogen 3.024 N/A LYS 25.A NZ ASN 163.A OD1 no hydrogen 3.013 N/A VAL 26.A N ASP 169.A OD2 no hydrogen 2.830 N/A LYS 27.A N ASN 24.A OD1 no hydrogen 2.815 N/A LYS 27.A NZ ASN 22.A O no hydrogen 3.327 N/A ALA 28.A N ASN 24.A O no hydrogen 2.710 N/A ARG 29.A N LYS 25.A O no hydrogen 2.725 N/A ARG 29.A NH1 MET 122.A O no hydrogen 3.511 N/A VAL 30.A N VAL 26.A O no hydrogen 3.209 N/A ILE 31.A N LYS 27.A O no hydrogen 3.171 N/A LEU 32.A N ALA 28.A O no hydrogen 3.386 N/A SER 33.A N VAL 30.A O no hydrogen 3.397 N/A SER 33.A OG ARG 29.A O no hydrogen 2.724 N/A SER 33.A OG VAL 30.A O no hydrogen 2.912 N/A SER 37.A OG ALA 36.A O no hydrogen 2.734 N/A PHE 42.A N ASN 133.A O no hydrogen 2.822 N/A ILE 44.A N PHE 135.A O no hydrogen 2.622 N/A ASP 46.A N THR 49.A OG1 no hydrogen 3.337 N/A THR 49.A OG1 ASP 46.A O no hydrogen 2.793 N/A LEU 50.A N ASP 46.A O no hydrogen 2.829 N/A CYS 51.A N MET 47.A O no hydrogen 2.737 N/A CYS 51.A SG MET 47.A O no hydrogen 3.354 N/A CYS 51.A SG GLU 54.A OE1 no hydrogen 3.326 N/A MET 52.A N GLU 48.A O no hydrogen 2.973 N/A ALA 53.A N THR 49.A O no hydrogen 2.912 N/A GLU 54.A N LEU 50.A O no hydrogen 2.699 N/A LYS 55.A N CYS 51.A O no hydrogen 3.309 N/A THR 56.A N MET 52.A O no hydrogen 3.277 N/A THR 56.A OG1 MET 52.A O no hydrogen 2.915 N/A LEU 57.A N ALA 53.A O no hydrogen 2.691 N/A LYS 63.A N ILE 60.A O no hydrogen 3.098 N/A ARG 68.A N GLU 64.A O no hydrogen 3.405 N/A ARG 68.A NE GLU 54.A OE2 no hydrogen 2.578 N/A PHE 70.A N GLU 66.A O no hydrogen 2.971 N/A HIS 71.A N VAL 67.A O no hydrogen 2.783 N/A CYS 72.A N ARG 68.A O no hydrogen 2.921 N/A CYS 73.A N ILE 69.A O no hydrogen 2.849 N/A CYS 73.A SG ILE 69.A O no hydrogen 3.367 N/A GLN 74.A N HIS 71.A O no hydrogen 2.811 N/A GLN 74.A NE2 ALA 252.A O no hydrogen 3.011 N/A CYS 75.A N HIS 71.A O no hydrogen 3.177 N/A CYS 75.A SG HIS 71.A NE2 no hydrogen 3.542 N/A CYS 75.A SG HIS 71.A O no hydrogen 3.777 N/A THR 76.A N CYS 72.A O no hydrogen 3.334 N/A SER 77.A N CYS 73.A O no hydrogen 3.043 N/A SER 77.A OG CYS 73.A O no hydrogen 3.392 N/A SER 77.A OG GLN 74.A O no hydrogen 3.165 N/A VAL 78.A N GLN 74.A O no hydrogen 2.925 N/A GLU 79.A N CYS 75.A O no hydrogen 3.400 N/A THR 80.A N THR 76.A O no hydrogen 3.009 N/A THR 80.A OG1 THR 76.A O no hydrogen 2.854 N/A VAL 81.A N SER 77.A O no hydrogen 2.760 N/A THR 82.A N VAL 78.A O no hydrogen 2.999 N/A THR 82.A OG1 VAL 78.A O no hydrogen 2.767 N/A GLU 83.A N GLU 79.A O no hydrogen 2.872 N/A LEU 84.A N THR 80.A O no hydrogen 2.709 N/A THR 85.A N VAL 81.A O no hydrogen 3.070 N/A THR 85.A N THR 82.A O no hydrogen 3.129 N/A THR 85.A OG1 VAL 81.A O no hydrogen 2.750 N/A GLU 86.A N THR 82.A O no hydrogen 3.211 N/A PHE 87.A N GLU 83.A O no hydrogen 3.072 N/A ALA 88.A N LEU 84.A O no hydrogen 2.899 N/A LYS 89.A N THR 85.A O no hydrogen 3.003 N/A LYS 89.A NZ GLU 86.A OE1 no hydrogen 3.021 N/A LYS 89.A NZ GLU 86.A OE2 no hydrogen 2.857 N/A ALA 90.A N PHE 87.A O no hydrogen 3.200 N/A ILE 91.A N ALA 88.A O no hydrogen 3.013 N/A PHE 94.A N ILE 91.A O no hydrogen 3.000 N/A LEU 97.A N PHE 94.A O no hydrogen 3.205 N/A ASN 100.A N ASP 98.A OD2 no hydrogen 2.615 N/A ASP 101.A N ASP 98.A O no hydrogen 2.813 N/A GLN 102.A N ASP 98.A O no hydrogen 2.945 N/A GLN 102.A NE2 LEU 97.A O no hydrogen 2.886 N/A VAL 103.A N LEU 99.A O no hydrogen 3.137 N/A THR 104.A N ASP 101.A O no hydrogen 3.247 N/A THR 104.A OG1 ASN 100.A O no hydrogen 2.813 N/A LEU 105.A N ASP 101.A O no hydrogen 3.183 N/A LYS 107.A N VAL 103.A O no hydrogen 3.059 N/A LYS 107.A NZ ILE 260.A O no hydrogen 2.536 N/A LYS 107.A NZ ARG 262.A O no hydrogen 2.834 N/A TYR 108.A N THR 104.A O no hydrogen 3.166 N/A TYR 108.A OH ASP 263.A O no hydrogen 3.253 N/A GLY 109.A N LEU 105.A O no hydrogen 2.908 N/A VAL 110.A N LEU 106.A O no hydrogen 3.242 N/A ALA 113.A N GLY 109.A O no hydrogen 2.895 N/A ILE 114.A N VAL 110.A O no hydrogen 2.638 N/A PHE 115.A N TYR 111.A O no hydrogen 2.842 N/A ALA 116.A N GLU 112.A O no hydrogen 3.153 N/A MET 117.A N ALA 113.A O no hydrogen 3.053 N/A LEU 118.A N ILE 114.A O no hydrogen 2.737 N/A SER 119.A N ALA 116.A O no hydrogen 3.395 N/A SER 119.A OG PHE 115.A O no hydrogen 3.380 N/A SER 119.A OG ALA 116.A O no hydrogen 3.359 N/A SER 120.A N MET 117.A O no hydrogen 2.977 N/A SER 120.A OG MET 117.A O no hydrogen 3.216 N/A VAL 121.A N LEU 118.A O no hydrogen 3.231 N/A MET 122.A N SER 119.A O no hydrogen 3.091 N/A ASN 123.A N GLY 126.A O no hydrogen 2.964 N/A ASP 125.A N ASN 123.A OD1 no hydrogen 2.881 N/A GLY 126.A N ASN 123.A OD1 no hydrogen 3.026 N/A MET 127.A N ILE 136.A O no hydrogen 3.246 N/A LEU 128.A N VAL 121.A O no hydrogen 2.771 N/A VAL 129.A N GLY 134.A O no hydrogen 3.374 N/A TYR 131.A OH GLU 79.A OE1 no hydrogen 2.794 N/A TYR 131.A OH GLU 79.A OE2 no hydrogen 3.224 N/A GLY 132.A N VAL 129.A O no hydrogen 2.844 N/A ASN 133.A N ALA 130.A O no hydrogen 2.825 N/A GLY 134.A N VAL 129.A O no hydrogen 3.143 N/A ILE 136.A N MET 127.A O no hydrogen 3.209 N/A THR 137.A N ILE 44.A O no hydrogen 3.104 N/A ARG 138.A N ASP 125.A O no hydrogen 2.567 N/A ARG 138.A NE GLU 153.A OE1 no hydrogen 2.902 N/A ARG 138.A NE GLU 153.A OE2 no hydrogen 2.824 N/A ARG 138.A NH2 GLU 153.A OE2 no hydrogen 2.247 N/A PHE 140.A N THR 137.A OG1 no hydrogen 2.791 N/A LEU 141.A N THR 137.A O no hydrogen 3.223 N/A LYS 142.A N ARG 138.A O no hydrogen 2.948 N/A SER 143.A N GLU 139.A O no hydrogen 2.723 N/A SER 143.A OG GLU 139.A O no hydrogen 2.677 N/A ARG 145.A N GLU 66.A OE1 no hydrogen 2.774 N/A ARG 145.A NE GLU 64.A OE1 no hydrogen 2.812 N/A ARG 145.A NH1 GLU 248.A OE1 no hydrogen 2.894 N/A ARG 145.A NH2 GLU 64.A OE1 no hydrogen 2.902 N/A ARG 145.A NH2 GLU 64.A OE2 no hydrogen 3.024 N/A ARG 145.A NH2 GLU 248.A OE1 no hydrogen 3.261 N/A CYS 149.A SG ASP 150.A OD2 no hydrogen 3.590 N/A ASP 150.A N PRO 147.A O no hydrogen 3.135 N/A LYS 155.A N MET 152.A O no hydrogen 3.025 N/A LYS 155.A NZ ILE 151.A O no hydrogen 3.041 N/A LYS 155.A NZ GLU 236.A OE1 no hydrogen 3.357 N/A LYS 155.A NZ HIS 237.A ND1 no hydrogen 2.702 N/A PHE 156.A N MET 152.A O no hydrogen 3.289 N/A ASP 157.A N GLU 153.A O no hydrogen 3.108 N/A PHE 158.A N PRO 154.A O no hydrogen 3.093 N/A ALA 159.A N LYS 155.A O no hydrogen 2.849 N/A MET 160.A N PHE 156.A O no hydrogen 2.988 N/A LYS 161.A N ASP 157.A O no hydrogen 3.274 N/A PHE 162.A N PHE 158.A O no hydrogen 2.757 N/A ASN 163.A N ALA 159.A O no hydrogen 2.631 N/A ASN 163.A ND2 SER 119.A O no hydrogen 2.936 N/A ALA 164.A N MET 160.A O no hydrogen 3.111 N/A LEU 165.A N PHE 162.A O no hydrogen 2.910 N/A GLU 166.A N ASN 163.A O no hydrogen 2.785 N/A ASP 168.A N ASP 171.A OD2 no hydrogen 2.734 N/A SER 170.A OG ASP 168.A OD1 no hydrogen 2.490 N/A SER 170.A OG HIS 208.A NE2 no hydrogen 2.928 N/A ASP 171.A N ASP 168.A OD1 no hydrogen 3.402 N/A ILE 172.A N ASP 168.A O no hydrogen 2.795 N/A SER 173.A N ASP 169.A O no hydrogen 2.824 N/A SER 173.A OG ASP 169.A O no hydrogen 2.911 N/A SER 173.A OG SER 170.A O no hydrogen 2.629 N/A PHE 175.A N ASP 171.A O no hydrogen 2.922 N/A VAL 176.A N ILE 172.A O no hydrogen 2.851 N/A ALA 177.A N SER 173.A O no hydrogen 2.913 N/A ALA 178.A N LEU 174.A O no hydrogen 2.838 N/A ILE 179.A N PHE 175.A O no hydrogen 3.153 N/A ILE 179.A N VAL 176.A O no hydrogen 2.988 N/A ILE 180.A N VAL 176.A O no hydrogen 3.082 N/A CYS 181.A N ALA 177.A O no hydrogen 3.007 N/A CYS 181.A SG ALA 177.A O no hydrogen 3.205 N/A CYS 182.A N ILE 180.A O no hydrogen 2.850 N/A GLY 183.A N GLN 198.A OE1 no hydrogen 3.395 N/A ARG 185.A NH1 GLU 112.A OE2 no hydrogen 2.774 N/A ARG 185.A NH2 GLU 112.A OE1 no hydrogen 3.045 N/A ARG 185.A NH2 ILE 179.A O no hydrogen 2.672 N/A LEU 189.A N ASP 101.A OD1 no hydrogen 2.771 N/A ASN 190.A N ASP 101.A OD2 no hydrogen 3.058 N/A HIS 193.A N ASN 190.A O no hydrogen 3.184 N/A ILE 194.A N ASN 190.A O no hydrogen 3.189 N/A GLU 195.A N VAL 191.A O no hydrogen 3.179 N/A LYS 196.A N GLY 192.A O no hydrogen 3.140 N/A MET 197.A N HIS 193.A O no hydrogen 2.750 N/A GLN 198.A N ILE 194.A O no hydrogen 2.685 N/A GLU 199.A N GLU 195.A O no hydrogen 2.768 N/A ILE 201.A N MET 197.A O no hydrogen 3.367 N/A VAL 202.A N GLN 198.A O no hydrogen 2.837 N/A HIS 203.A N GLU 199.A O no hydrogen 3.286 N/A VAL 204.A N GLY 200.A O no hydrogen 3.403 N/A LEU 205.A N ILE 201.A O no hydrogen 2.966 N/A ARG 206.A N VAL 202.A O no hydrogen 2.919 N/A LEU 207.A N HIS 203.A O no hydrogen 3.042 N/A HIS 208.A N VAL 204.A O no hydrogen 2.777 N/A HIS 208.A NE2 SER 170.A OG no hydrogen 2.928 N/A LEU 209.A N LEU 205.A O no hydrogen 3.069 N/A GLN 210.A N ARG 206.A O no hydrogen 3.294 N/A SER 211.A N LEU 207.A O no hydrogen 3.136 N/A SER 211.A OG LEU 207.A O no hydrogen 3.290 N/A ASN 212.A N HIS 208.A O no hydrogen 2.841 N/A ASN 212.A ND2 ASP 168.A OD2 no hydrogen 2.785 N/A ASN 212.A ND2 ASP 171.A OD1 no hydrogen 2.977 N/A HIS 213.A N LEU 209.A O no hydrogen 2.698 N/A HIS 213.A NE2 ASP 171.A OD2 no hydrogen 3.088 N/A ASP 215.A N ASP 215.A OD1 no hydrogen 2.245 N/A ASP 216.A N HIS 213.A O no hydrogen 3.076 N/A PHE 218.A N ASP 216.A OD1 no hydrogen 3.329 N/A LEU 219.A N ASP 216.A O no hydrogen 3.332 N/A LYS 222.A N PHE 218.A O no hydrogen 3.171 N/A LYS 222.A NZ ASP 216.A OD2 no hydrogen 2.395 N/A LEU 223.A N LEU 219.A O no hydrogen 2.966 N/A LEU 223.A N PHE 220.A O no hydrogen 2.983 N/A LEU 224.A N PHE 220.A O no hydrogen 3.081 N/A GLN 225.A N PRO 221.A O no hydrogen 3.348 N/A LYS 226.A N LYS 222.A O no hydrogen 3.117 N/A MET 227.A N LEU 223.A O no hydrogen 2.867 N/A ALA 228.A N LEU 224.A O no hydrogen 3.268 N/A ASP 229.A N GLN 225.A O no hydrogen 2.704 N/A LEU 230.A N LYS 226.A O no hydrogen 2.824 N/A ARG 231.A N MET 227.A O no hydrogen 3.313 N/A ARG 231.A NH1 ASP 184.A OD1 no hydrogen 3.116 N/A GLN 232.A N ALA 228.A O no hydrogen 3.412 N/A LEU 233.A N ASP 229.A O no hydrogen 3.015 N/A VAL 234.A N LEU 230.A O no hydrogen 2.882 N/A THR 235.A N ARG 231.A O no hydrogen 2.998 N/A THR 235.A OG1 ARG 231.A O no hydrogen 2.897 N/A GLU 236.A N GLN 232.A O no hydrogen 2.770 N/A HIS 237.A N LEU 233.A O no hydrogen 2.883 N/A ALA 238.A N VAL 234.A O no hydrogen 2.649 N/A GLN 239.A N THR 235.A O no hydrogen 3.315 N/A LEU 240.A N GLU 236.A O no hydrogen 3.309 N/A VAL 241.A N HIS 237.A O no hydrogen 3.019 N/A GLN 242.A N ALA 238.A O no hydrogen 2.921 N/A ILE 243.A N GLN 239.A O no hydrogen 2.744 N/A ILE 244.A N LEU 240.A O no hydrogen 3.285 N/A LYS 245.A N VAL 241.A O no hydrogen 3.061 N/A LYS 246.A N GLN 242.A O no hydrogen 2.866 N/A THR 247.A N ILE 243.A O no hydrogen 2.814 N/A THR 247.A OG1 ILE 243.A O no hydrogen 3.198 N/A THR 247.A OG1 GLU 248.A OE2 no hydrogen 3.196 N/A GLU 248.A N THR 247.A OG1 no hydrogen 2.542 N/A ALA 251.A N GLU 248.A O no hydrogen 3.058 N/A HIS 254.A N GLN 74.A OE1 no hydrogen 2.667 N/A LEU 256.A N HIS 254.A ND1 no hydrogen 3.148 N/A GLN 258.A N HIS 254.A O no hydrogen 2.897 N/A GLN 258.A NE2 LEU 253.A O no hydrogen 3.459 N/A GLU 259.A N PRO 255.A O no hydrogen 3.168 N/A ILE 260.A N LEU 256.A O no hydrogen 3.090 N/A TYR 261.A N LEU 257.A O no hydrogen 3.052 N/A ARG 262.A N GLN 258.A O no hydrogen 2.861 N/A TYR 265.A N ASP 263.A O no hydrogen 2.860 N/A