Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kex_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 7.A N LEU 80.A O no hydrogen 2.622 N/A GLU 11.A N LYS 8.A O no hydrogen 2.730 N/A LEU 12.A N LYS 8.A O no hydrogen 3.354 N/A ARG 13.A N VAL 30.A O no hydrogen 3.184 N/A LEU 15.A N LYS 28.A O no hydrogen 2.723 N/A LYS 16.A N LYS 28.A O no hydrogen 3.038 N/A LEU 18.A N VAL 26.A O no hydrogen 2.864 N/A GLY 19.A N VAL 26.A O no hydrogen 3.405 N/A THR 25.A N VAL 46.A O no hydrogen 3.083 N/A VAL 26.A N GLY 19.A O no hydrogen 2.851 N/A HIS 27.A N ILE 44.A O no hydrogen 2.716 N/A LYS 28.A N LYS 16.A O no hydrogen 2.631 N/A GLY 29.A N VAL 42.A O no hydrogen 3.003 N/A VAL 30.A N ARG 13.A O no hydrogen 2.927 N/A TRP 31.A N ILE 40.A O no hydrogen 2.692 N/A ILE 32.A N GLU 11.A O no hydrogen 2.777 N/A GLU 36.A N PRO 33.A O no hydrogen 2.832 N/A ILE 40.A N TRP 31.A O no hydrogen 3.190 N/A VAL 42.A N GLY 29.A O no hydrogen 2.623 N/A CYS 43.A N THR 90.A O no hydrogen 2.693 N/A CYS 43.A SG HIS 27.A O no hydrogen 3.540 N/A ILE 44.A N HIS 27.A O no hydrogen 2.906 N/A LYS 45.A N LEU 88.A O no hydrogen 2.728 N/A LYS 45.A NZ ASP 155.A OD2 no hydrogen 2.888 N/A VAL 46.A N THR 25.A O no hydrogen 2.900 N/A ILE 47.A N LEU 86.A O no hydrogen 2.760 N/A LYS 50.A NZ GLN 168.A OE1 no hydrogen 2.627 N/A SER 51.A OG ASP 49.A OD2 no hydrogen 2.504 N/A GLY 52.A N ASP 49.A O no hydrogen 2.720 N/A ARG 53.A N ASP 49.A OD2 no hydrogen 3.478 N/A HIS 62.A N THR 60.A OG1 no hydrogen 3.222 N/A HIS 62.A NE2 GLY 157.A O no hydrogen 3.062 N/A MET 63.A N THR 60.A OG1 no hydrogen 3.240 N/A ALA 65.A N ASP 61.A O no hydrogen 2.945 N/A ILE 66.A N HIS 62.A O no hydrogen 2.906 N/A GLY 67.A N MET 63.A O no hydrogen 2.780 N/A SER 68.A OG LEU 64.A O no hydrogen 2.462 N/A SER 68.A OG ALA 65.A O no hydrogen 3.228 N/A LEU 69.A N ILE 66.A O no hydrogen 3.353 N/A ASP 70.A N TYR 127.A OH no hydrogen 2.715 N/A HIS 73.A ND1 VAL 151.A O no hydrogen 3.276 N/A ILE 74.A N HIS 71.A O no hydrogen 3.085 N/A VAL 75.A N VAL 153.A O no hydrogen 2.684 N/A LEU 78.A N VAL 89.A O no hydrogen 2.781 N/A GLY 79.A N VAL 89.A O no hydrogen 3.373 N/A LEU 80.A N ARG 5.A O no hydrogen 3.076 N/A CYS 81.A N GLN 87.A O no hydrogen 3.056 N/A CYS 81.A SG PHE 7.A O no hydrogen 3.372 N/A GLY 83.A N PHE 56.A O no hydrogen 2.758 N/A LEU 86.A N ILE 47.A O no hydrogen 2.830 N/A GLN 87.A NE2 GLU 9.A OE1 no hydrogen 3.431 N/A LEU 88.A N LYS 45.A O no hydrogen 2.710 N/A VAL 89.A N GLY 79.A O no hydrogen 3.006 N/A THR 90.A N CYS 43.A O no hydrogen 2.983 N/A THR 90.A OG1 CYS 43.A O no hydrogen 3.486 N/A GLY 96.A N LEU 93.A O no hydrogen 3.130 N/A LEU 98.A N VAL 143.A O no hydrogen 2.612 N/A LEU 99.A N ALA 140.A O no hydrogen 3.190 N/A ASP 100.A N SER 97.A OG no hydrogen 3.089 N/A HIS 101.A N LEU 98.A O no hydrogen 3.187 N/A VAL 102.A N LEU 98.A O no hydrogen 3.077 N/A ARG 103.A NE GLY 206.A O no hydrogen 2.710 N/A ARG 103.A NH2 GLY 206.A O no hydrogen 3.204 N/A ALA 108.A N HIS 105.A O no hydrogen 3.159 N/A LEU 109.A N ARG 106.A O no hydrogen 3.170 N/A LEU 113.A N GLY 110.A O no hydrogen 2.929 N/A LEU 114.A N GLY 110.A O no hydrogen 3.252 N/A ASN 116.A N GLN 112.A O no hydrogen 2.902 N/A TRP 117.A N LEU 113.A O no hydrogen 2.659 N/A TRP 117.A NE1 SER 149.A O no hydrogen 2.876 N/A VAL 119.A N LEU 115.A O no hydrogen 3.101 N/A GLN 120.A N ASN 116.A O no hydrogen 3.213 N/A GLN 120.A NE2 SER 149.A O no hydrogen 3.447 N/A ILE 121.A N TRP 117.A O no hydrogen 3.006 N/A LYS 123.A N VAL 119.A O no hydrogen 3.105 N/A LYS 123.A N GLN 120.A O no hydrogen 3.132 N/A GLY 124.A N GLN 120.A O no hydrogen 3.268 N/A MET 125.A N ILE 121.A O no hydrogen 3.126 N/A TYR 126.A N ALA 122.A O no hydrogen 2.777 N/A TYR 127.A N LYS 123.A O no hydrogen 2.717 N/A LEU 128.A N GLY 124.A O no hydrogen 2.950 N/A GLU 129.A N MET 125.A O no hydrogen 3.001 N/A GLU 130.A N TYR 126.A O no hydrogen 2.914 N/A HIS 131.A N TYR 127.A O no hydrogen 3.273 N/A GLY 132.A N GLU 129.A O no hydrogen 3.041 N/A MET 133.A N LEU 128.A O no hydrogen 2.884 N/A HIS 135.A N ASP 191.A OD2 no hydrogen 2.950 N/A HIS 135.A NE2 ALA 154.A O no hydrogen 2.666 N/A ARG 136.A N ASP 191.A OD1 no hydrogen 3.329 N/A ARG 136.A NH1 ASP 160.A OD1 no hydrogen 2.739 N/A ASN 137.A N HIS 135.A ND1 no hydrogen 3.018 N/A ALA 140.A N GLU 201.A OE1 no hydrogen 2.776 N/A ARG 141.A NH2 ASN 137.A OD1 no hydrogen 2.837 N/A ASN 142.A N ALA 139.A O no hydrogen 2.830 N/A ASN 142.A ND2 ASN 137.A O no hydrogen 2.622 N/A VAL 143.A N ALA 140.A O no hydrogen 3.350 N/A LEU 144.A N GLN 152.A O no hydrogen 3.000 N/A LEU 145.A N GLY 96.A O no hydrogen 3.381 N/A LYS 146.A N GLN 150.A O no hydrogen 2.669 N/A LYS 146.A NZ GLN 91.A OE1 no hydrogen 3.275 N/A SER 147.A N GLN 150.A O no hydrogen 3.190 N/A SER 149.A OG GLN 150.A OE1 no hydrogen 3.389 N/A GLN 150.A N SER 147.A O no hydrogen 2.910 N/A VAL 151.A N GLN 120.A OE1 no hydrogen 2.898 N/A GLN 152.A N LEU 144.A O no hydrogen 2.721 N/A VAL 153.A N HIS 73.A O no hydrogen 3.143 N/A ALA 154.A N ASN 142.A O no hydrogen 3.231 N/A ASP 160.A N GLY 157.A O no hydrogen 2.944 N/A LEU 162.A N ALA 159.A O no hydrogen 3.191 N/A GLN 168.A N ASP 165.A O no hydrogen 3.509 N/A GLN 168.A NE2 ASP 165.A OD2 no hydrogen 3.461 N/A LYS 174.A NZ GLU 208.A OE2 no hydrogen 2.746 N/A TRP 175.A N PRO 172.A O no hydrogen 3.253 N/A MET 176.A N ILE 173.A O no hydrogen 3.206 N/A GLU 179.A N GLU 179.A OE2 no hydrogen 2.868 N/A SER 180.A N ALA 177.A O no hydrogen 3.071 N/A SER 180.A OG ALA 177.A O no hydrogen 3.544 N/A SER 180.A OG LYS 185.A O no hydrogen 3.097 N/A SER 180.A OG SER 190.A OG no hydrogen 2.355 N/A ILE 181.A N LEU 178.A O no hydrogen 2.964 N/A HIS 182.A N LEU 178.A O no hydrogen 2.926 N/A PHE 183.A N GLU 179.A O no hydrogen 2.836 N/A LYS 185.A NZ GLU 250.A OE1 no hydrogen 3.480 N/A SER 190.A N THR 187.A O no hydrogen 2.896 N/A SER 190.A OG SER 180.A OG no hydrogen 2.355 N/A ASP 191.A N THR 187.A O no hydrogen 3.070 N/A VAL 192.A N HIS 188.A O no hydrogen 3.170 N/A TRP 193.A N GLN 189.A O no hydrogen 3.447 N/A SER 194.A N SER 190.A O no hydrogen 3.237 N/A SER 194.A OG TRP 175.A O no hydrogen 2.836 N/A SER 194.A OG SER 190.A O no hydrogen 3.155 N/A TYR 195.A N ASP 191.A O no hydrogen 2.672 N/A TYR 195.A OH GLY 118.A O no hydrogen 2.768 N/A GLY 196.A N VAL 192.A O no hydrogen 2.983 N/A VAL 197.A N TRP 193.A O no hydrogen 3.257 N/A THR 198.A N TYR 195.A O no hydrogen 2.961 N/A THR 198.A OG1 SER 194.A O no hydrogen 2.590 N/A VAL 199.A N TYR 195.A O no hydrogen 3.081 N/A TRP 200.A N GLY 196.A O no hydrogen 3.027 N/A TRP 200.A NE1 ALA 229.A O no hydrogen 2.898 N/A GLU 201.A N VAL 197.A O no hydrogen 3.100 N/A LEU 202.A N THR 198.A O no hydrogen 2.987 N/A MET 203.A N VAL 199.A O no hydrogen 2.841 N/A THR 204.A N TRP 200.A O no hydrogen 2.758 N/A PHE 205.A N LEU 202.A O no hydrogen 2.686 N/A GLY 206.A N GLU 201.A O no hydrogen 2.776 N/A LEU 213.A N TYR 210.A O no hydrogen 3.124 N/A GLU 217.A N ARG 214.A O no hydrogen 2.903 N/A VAL 218.A N ARG 214.A O no hydrogen 3.294 N/A VAL 218.A N LEU 215.A O no hydrogen 3.161 N/A LEU 221.A N GLU 217.A O no hydrogen 3.010 N/A LEU 222.A N VAL 218.A O no hydrogen 3.326 N/A GLU 223.A N PRO 219.A O no hydrogen 2.630 N/A LYS 224.A N ASP 220.A O no hydrogen 2.710 N/A LYS 224.A NZ GLU 217.A OE2 no hydrogen 3.437 N/A GLY 225.A N LEU 222.A O no hydrogen 2.733 N/A GLU 226.A N LEU 221.A O no hydrogen 3.060 N/A ARG 227.A NH1 LEU 222.A O no hydrogen 2.406 N/A GLN 230.A NE2 CYS 234.A O no hydrogen 2.456 N/A CYS 234.A N PRO 231.A O no hydrogen 3.429 N/A THR 235.A N TYR 273.A O no hydrogen 2.989 N/A THR 235.A OG1 TYR 273.A O no hydrogen 2.863 N/A TYR 239.A OH LEU 228.A O no hydrogen 2.596 N/A VAL 243.A N TYR 239.A O no hydrogen 3.357 N/A LYS 244.A N MET 240.A O no hydrogen 3.225 N/A CYS 245.A N VAL 241.A O no hydrogen 3.306 N/A CYS 245.A SG VAL 241.A O no hydrogen 3.394 N/A MET 247.A N LYS 244.A O no hydrogen 2.960 N/A GLU 250.A N GLU 250.A OE2 no hydrogen 2.472 N/A ASN 251.A N ASP 249.A OD1 no hydrogen 2.831 N/A ILE 252.A N ASP 249.A O no hydrogen 2.798 N/A ARG 253.A N ASP 249.A O no hydrogen 3.324 N/A ARG 253.A NE MET 247.A O no hydrogen 2.717 N/A ARG 253.A NH1 GLU 179.A OE1 no hydrogen 3.044 N/A ARG 253.A NH1 GLU 179.A OE2 no hydrogen 3.341 N/A ARG 253.A NH1 GLN 189.A O no hydrogen 2.908 N/A ARG 253.A NH2 GLU 179.A OE2 no hydrogen 3.083 N/A ARG 253.A NH2 MET 247.A O no hydrogen 3.431 N/A THR 255.A N GLU 258.A OE1 no hydrogen 2.989 N/A GLU 258.A N THR 255.A OG1 no hydrogen 3.001 N/A LEU 259.A N THR 255.A O no hydrogen 2.899 N/A ALA 260.A N PHE 256.A O no hydrogen 2.756 N/A ASN 261.A N LYS 257.A O no hydrogen 3.073 N/A ASN 261.A N GLU 258.A O no hydrogen 2.832 N/A GLU 262.A N GLU 258.A O no hydrogen 3.063 N/A PHE 263.A N LEU 259.A O no hydrogen 3.442 N/A THR 264.A N ASN 261.A O no hydrogen 3.189 N/A ARG 265.A N ASN 261.A O no hydrogen 3.106 N/A MET 266.A N GLU 262.A O no hydrogen 2.690 N/A ARG 268.A N ARG 265.A O no hydrogen 3.122 N/A ARG 272.A N ASP 269.A O no hydrogen 2.994 N/A TYR 273.A N PRO 270.A O no hydrogen 3.255 N/A LEU 274.A N PRO 270.A O no hydrogen 2.923 N/A VAL 275.A N ILE 233.A O no hydrogen 2.749 N/A