Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nek_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ALA 27.A O no hydrogen 3.234 N/A PHE 5.A N TYR 23.A O no hydrogen 2.618 N/A SER 6.A N ILE 89.A O no hydrogen 2.624 N/A ILE 7.A N GLN 21.A O no hydrogen 3.032 N/A TYR 8.A N ILE 91.A O no hydrogen 3.148 N/A ARG 9.A N ARG 19.A O no hydrogen 2.823 N/A ARG 9.A NH2 SER 48.A OG no hydrogen 2.765 N/A ASN 11.A N ASP 15.A OD2 no hydrogen 3.109 N/A ASP 13.A N ASN 11.A OD1 no hydrogen 2.790 N/A VAL 14.A N ASN 11.A O no hydrogen 2.890 N/A ASP 15.A N ASN 11.A O no hydrogen 2.723 N/A ARG 19.A N ARG 9.A O no hydrogen 3.179 N/A ARG 19.A NE ASP 15.A OD1 no hydrogen 3.196 N/A ARG 19.A NH1 GLN 21.A OE1 no hydrogen 2.580 N/A ARG 19.A NH2 GLN 21.A OE1 no hydrogen 3.069 N/A GLN 21.A N ILE 7.A O no hydrogen 2.784 N/A TYR 23.A N PHE 5.A O no hydrogen 3.127 N/A TYR 23.A OH ASP 46.A OD2 no hydrogen 2.787 N/A THR 24.A OG1 GLU 4.A OE1 no hydrogen 3.526 N/A THR 24.A OG1 GLU 4.A OE2 no hydrogen 2.748 N/A LEU 25.A N LEU 3.A O no hydrogen 3.054 N/A ALA 27.A N MET 1.A O no hydrogen 3.074 N/A MET 34.A N ASP 37.A OD2 no hydrogen 3.093 N/A LEU 35.A N THR 77.A O no hydrogen 3.099 N/A LEU 36.A N ALA 74.A O no hydrogen 2.819 N/A ALA 38.A N MET 34.A O no hydrogen 3.488 N/A LEU 39.A N LEU 35.A O no hydrogen 3.056 N/A ILE 40.A N LEU 36.A O no hydrogen 2.748 N/A GLN 41.A N ASP 37.A O no hydrogen 3.054 N/A LEU 42.A N ALA 38.A O no hydrogen 2.902 N/A LYS 43.A N LEU 39.A O no hydrogen 2.780 N/A GLU 44.A N ILE 40.A O no hydrogen 3.189 N/A GLU 44.A N GLN 41.A O no hydrogen 2.550 N/A LYS 45.A N GLN 41.A O no hydrogen 3.240 N/A ASP 46.A N LEU 42.A O no hydrogen 2.674 N/A SER 48.A OG ASP 46.A OD1 no hydrogen 2.570 N/A SER 48.A OG ASP 46.A OD2 no hydrogen 3.124 N/A SER 50.A N ASP 102.A OD2 no hydrogen 2.618 N/A SER 50.A OG ASP 102.A OD2 no hydrogen 2.702 N/A CYS 60.A SG SER 62.A OG no hydrogen 3.104 N/A LEU 65.A N GLY 72.A O no hydrogen 2.767 N/A ASN 66.A N ARG 92.A O no hydrogen 2.940 N/A MET 67.A N LYS 70.A O no hydrogen 2.678 N/A ASN 68.A N VAL 90.A O no hydrogen 2.711 N/A ASN 68.A ND2 LEU 82.A O no hydrogen 3.507 N/A LYS 70.A N MET 67.A O no hydrogen 3.162 N/A LYS 70.A NZ SER 214.A O no hydrogen 3.073 N/A GLY 72.A N LEU 65.A O no hydrogen 2.768 N/A ALA 74.A N ASP 63.A O no hydrogen 2.884 N/A CYS 75.A N ASP 63.A OD2 no hydrogen 2.846 N/A CYS 75.A SG ASP 63.A OD2 no hydrogen 3.172 N/A ILE 76.A N LEU 73.A O no hydrogen 2.977 N/A THR 77.A OG1 LEU 73.A O no hydrogen 2.581 N/A ILE 79.A N MET 33.A O no hydrogen 2.976 N/A SER 80.A OG ASP 32.A OD2 no hydrogen 2.419 N/A LEU 82.A N ILE 79.A O no hydrogen 3.391 N/A ASN 83.A N SER 80.A O no hydrogen 3.259 N/A LYS 87.A N GLN 84.A O no hydrogen 2.930 N/A LYS 87.A NZ GLN 84.A OE1 no hydrogen 3.504 N/A LYS 88.A NZ ASP 22.A OD1 no hydrogen 2.514 N/A LYS 88.A NZ ASP 22.A OD2 no hydrogen 3.230 N/A ILE 89.A N GLU 4.A O no hydrogen 3.050 N/A VAL 90.A N ASN 68.A OD1 no hydrogen 2.948 N/A ILE 91.A N SER 6.A O no hydrogen 2.799 N/A ARG 92.A N ASN 66.A O no hydrogen 2.971 N/A LEU 97.A N PRO 95.A O no hydrogen 2.882 N/A ILE 100.A N VAL 104.A O no hydrogen 2.825 N/A ARG 101.A N VAL 104.A O no hydrogen 3.319 N/A ARG 101.A NH1 SER 50.A OG no hydrogen 3.418 N/A ASP 102.A N TYR 10.A O no hydrogen 3.038 N/A VAL 104.A N ARG 101.A O no hydrogen 2.788 N/A ASP 106.A N PRO 98.A O no hydrogen 2.788 N/A GLY 108.A N ASP 106.A OD1 no hydrogen 2.577 N/A PHE 110.A N MET 107.A O no hydrogen 2.812 N/A TYR 111.A N MET 107.A O no hydrogen 3.206 N/A ALA 112.A N GLY 108.A O no hydrogen 3.057 N/A GLN 113.A N GLN 109.A O no hydrogen 3.393 N/A GLN 113.A NE2 PHE 169.A O no hydrogen 3.168 N/A TYR 114.A N PHE 110.A O no hydrogen 3.305 N/A GLU 115.A N TYR 111.A O no hydrogen 2.965 N/A LYS 116.A N ALA 112.A O no hydrogen 3.021 N/A ILE 117.A N TYR 114.A O no hydrogen 3.347 N/A LYS 118.A N GLU 115.A O no hydrogen 2.823 N/A TYR 120.A N LYS 118.A O no hydrogen 2.648 N/A LEU 122.A N ASP 187.A OD1 no hydrogen 2.628 N/A ASN 124.A N THR 188.A OG1 no hydrogen 2.863 N/A GLN 126.A N ASN 124.A OD1 no hydrogen 2.568 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 3.253 N/A MET 136.A N GLN 139.A OE1 no hydrogen 2.835 N/A GLN 139.A N MET 136.A O no hydrogen 2.542 N/A ARG 140.A N MET 136.A O no hydrogen 2.775 N/A GLU 141.A N PRO 137.A O no hydrogen 2.673 N/A LEU 143.A N ARG 140.A O no hydrogen 3.278 N/A ASP 144.A N GLU 141.A O no hydrogen 2.863 N/A GLY 145.A N GLU 148.A OE2 no hydrogen 3.099 N/A LEU 146.A N LEU 143.A O no hydrogen 2.960 N/A TYR 147.A N GLU 148.A OE1 no hydrogen 3.059 N/A GLU 148.A N GLU 148.A OE1 no hydrogen 2.699 N/A THR 157.A N ALA 153.A O no hydrogen 3.316 N/A THR 157.A OG1 ALA 153.A O no hydrogen 2.240 N/A SER 158.A N CYS 155.A O no hydrogen 2.916 N/A SER 158.A OG CYS 154.A O no hydrogen 2.631 N/A CYS 159.A N SER 156.A O no hydrogen 2.952 N/A SER 161.A OG ARG 205.A O no hydrogen 2.871 N/A TRP 163.A N CYS 159.A O no hydrogen 3.097 N/A TRP 163.A N PRO 160.A O no hydrogen 2.846 N/A TRP 163.A NE1 THR 157.A O no hydrogen 2.803 N/A TRP 164.A N PRO 160.A O no hydrogen 3.161 N/A ASN 165.A N SER 161.A O no hydrogen 3.119 N/A ASN 165.A ND2 SER 161.A O no hydrogen 3.696 N/A ASP 167.A N ASP 167.A OD1 no hydrogen 2.639 N/A LYS 168.A N ASN 165.A O no hydrogen 3.093 N/A PHE 169.A N ASN 165.A O no hydrogen 3.025 N/A ILE 170.A N SER 202.A O no hydrogen 3.283 N/A LEU 175.A N GLY 171.A O no hydrogen 3.148 N/A LEU 176.A N PRO 172.A O no hydrogen 2.970 N/A ALA 177.A N ALA 173.A O no hydrogen 3.090 N/A ALA 178.A N GLY 174.A O no hydrogen 2.818 N/A TYR 179.A N LEU 175.A O no hydrogen 2.791 N/A TYR 179.A OH HIS 228.A ND1 no hydrogen 2.854 N/A ARG 180.A N LEU 176.A O no hydrogen 3.055 N/A ARG 180.A NH1 ARG 180.A O no hydrogen 3.304 N/A ARG 180.A NH1 ASP 184.A OD2 no hydrogen 2.775 N/A ARG 180.A NH2 ASP 184.A OD2 no hydrogen 3.527 N/A PHE 181.A N ALA 177.A O no hydrogen 3.430 N/A PHE 181.A N ALA 178.A O no hydrogen 3.103 N/A LEU 182.A N ALA 178.A O no hydrogen 2.934 N/A ILE 183.A N TYR 179.A O no hydrogen 3.155 N/A ASP 184.A N PHE 181.A O no hydrogen 3.390 N/A ARG 186.A N ASP 184.A OD1 no hydrogen 2.954 N/A ARG 186.A NE ASP 184.A OD1 no hydrogen 3.232 N/A ASP 187.A N ASP 184.A O no hydrogen 2.677 N/A THR 188.A N LEU 122.A O no hydrogen 2.806 N/A THR 188.A OG1 LEU 122.A O no hydrogen 3.243 N/A THR 188.A OG1 GLU 189.A OE2 no hydrogen 3.236 N/A GLU 189.A N ASP 187.A OD2 no hydrogen 3.208 N/A THR 190.A OG1 LEU 182.A O no hydrogen 3.298 N/A ARG 193.A N GLU 189.A O no hydrogen 2.713 N/A ARG 193.A NE ASP 187.A OD2 no hydrogen 2.969 N/A ARG 193.A NH1 ILE 117.A O no hydrogen 3.217 N/A ARG 193.A NH1 LYS 118.A O no hydrogen 3.268 N/A ARG 193.A NH2 LYS 118.A O no hydrogen 3.426 N/A ARG 193.A NH2 ASP 187.A OD1 no hydrogen 3.485 N/A LEU 194.A N THR 190.A O no hydrogen 2.888 N/A ASP 195.A N ASP 191.A O no hydrogen 3.228 N/A GLY 196.A N SER 192.A O no hydrogen 3.403 N/A LEU 197.A N LEU 194.A O no hydrogen 3.210 N/A SER 198.A N ASP 195.A O no hydrogen 3.504 N/A SER 198.A OG LEU 194.A O no hydrogen 2.941 N/A SER 198.A OG ASN 237.A OD1 no hydrogen 2.939 N/A PHE 201.A N ASP 199.A OD2 no hydrogen 2.816 N/A SER 202.A N ASP 199.A OD2 no hydrogen 2.843 N/A SER 202.A OG ASP 199.A OD1 no hydrogen 2.650 N/A SER 202.A OG ASP 199.A OD2 no hydrogen 3.496 N/A CYS 206.A N VAL 203.A O no hydrogen 3.123 N/A SER 214.A N MET 210.A O no hydrogen 3.415 N/A VAL 215.A N ASN 211.A O no hydrogen 3.096 N/A CYS 216.A N CYS 212.A O no hydrogen 3.234 N/A LYS 218.A NZ GLY 58.A O no hydrogen 2.742 N/A GLY 219.A N CYS 216.A O no hydrogen 3.075 N/A THR 223.A OG1 ASN 221.A OD1 no hydrogen 2.333 N/A ARG 224.A N ASN 221.A OD1 no hydrogen 3.025 N/A ALA 225.A N ASN 221.A O no hydrogen 3.303 N/A ILE 226.A N PRO 222.A O no hydrogen 2.779 N/A GLY 227.A N THR 223.A O no hydrogen 2.973 N/A HIS 228.A N ARG 224.A O no hydrogen 3.236 N/A HIS 228.A N ALA 225.A O no hydrogen 3.194 N/A ILE 229.A N ALA 225.A O no hydrogen 3.147 N/A LYS 230.A N ILE 226.A O no hydrogen 3.069 N/A LYS 230.A NZ CYS 206.A O no hydrogen 3.113 N/A SER 231.A N GLY 227.A O no hydrogen 3.295 N/A SER 231.A OG GLY 227.A O no hydrogen 2.828 N/A MET 232.A N HIS 228.A O no hydrogen 3.005 N/A LEU 233.A N ILE 229.A O no hydrogen 3.031 N/A LEU 234.A N LYS 230.A O no hydrogen 3.134 N/A GLN 235.A N SER 231.A O no hydrogen 2.888 N/A ARG 236.A N MET 232.A O no hydrogen 2.940 N/A ARG 236.A NE ASP 195.A OD1 no hydrogen 2.771 N/A ARG 236.A NH2 ASP 195.A OD1 no hydrogen 3.182 N/A ARG 236.A NH2 ASP 195.A OD2 no hydrogen 2.744 N/A ASN 237.A N LEU 233.A O no hydrogen 2.651 N/A ASN 237.A ND2 ARG 236.A O no hydrogen 2.515 N/A