Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6wak_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N LEU 77.A O no hydrogen 3.271 N/A LEU 6.A N ILE 79.A O no hydrogen 2.938 N/A LYS 7.A N GLU 10.A OE1 no hydrogen 3.026 N/A GLU 10.A N LYS 7.A O no hydrogen 2.905 N/A LYS 12.A N LEU 29.A O no hydrogen 3.161 N/A LYS 12.A NZ GLU 8.A O no hydrogen 3.489 N/A LYS 13.A NZ GLN 86.A OE1 no hydrogen 2.601 N/A ILE 14.A N LYS 27.A O no hydrogen 2.810 N/A LYS 15.A N LYS 27.A O no hydrogen 3.292 N/A LEU 17.A N VAL 25.A O no hydrogen 2.674 N/A GLY 18.A N VAL 25.A O no hydrogen 3.367 N/A SER 19.A OG THR 24.A OG1 no hydrogen 2.737 N/A GLY 20.A N GLY 23.A O no hydrogen 3.080 N/A THR 24.A N GLU 45.A O no hydrogen 2.854 N/A THR 24.A OG1 SER 19.A OG no hydrogen 2.737 N/A VAL 25.A N GLY 18.A O no hydrogen 2.864 N/A TYR 26.A N ILE 43.A O no hydrogen 2.515 N/A LYS 27.A N LYS 15.A O no hydrogen 2.836 N/A GLY 28.A N VAL 41.A O no hydrogen 2.692 N/A LEU 29.A N LYS 12.A O no hydrogen 3.074 N/A TRP 30.A N ILE 39.A O no hydrogen 2.587 N/A TRP 30.A NE1 GLU 10.A OE2 no hydrogen 3.258 N/A ILE 31.A N GLU 10.A O no hydrogen 3.180 N/A GLU 35.A N PRO 32.A O no hydrogen 3.165 N/A ILE 39.A N TRP 30.A O no hydrogen 2.720 N/A VAL 41.A N GLY 28.A O no hydrogen 2.686 N/A ALA 42.A N MET 89.A O no hydrogen 2.963 N/A ILE 43.A N TYR 26.A O no hydrogen 2.718 N/A LYS 44.A N LEU 87.A O no hydrogen 2.969 N/A LYS 44.A NZ ASP 154.A OD1 no hydrogen 3.208 N/A LYS 44.A NZ ASP 154.A OD2 no hydrogen 2.729 N/A GLU 45.A N THR 24.A O no hydrogen 2.757 N/A LEU 46.A N VAL 85.A O no hydrogen 2.924 N/A ARG 47.A N PHE 22.A O no hydrogen 2.875 N/A GLU 48.A N GLU 48.A OE2 no hydrogen 2.404 N/A LYS 53.A NZ GLU 61.A OE1 no hydrogen 3.158 N/A LYS 53.A NZ LEU 160.A O no hydrogen 2.584 N/A ILE 58.A N ALA 54.A O no hydrogen 3.094 N/A LEU 59.A N ASN 55.A O no hydrogen 2.986 N/A ASP 60.A N LYS 56.A O no hydrogen 2.973 N/A GLU 61.A N GLU 57.A O no hydrogen 2.923 N/A ALA 62.A N ILE 58.A O no hydrogen 2.805 N/A TYR 63.A N LEU 59.A O no hydrogen 2.915 N/A MET 65.A N GLU 61.A O no hydrogen 3.444 N/A ALA 66.A N ALA 62.A O no hydrogen 2.829 N/A SER 67.A N VAL 64.A O no hydrogen 3.041 N/A SER 67.A OG TYR 63.A O no hydrogen 3.460 N/A SER 67.A OG VAL 64.A O no hydrogen 2.951 N/A ASP 69.A N TYR 126.A OH no hydrogen 2.910 N/A HIS 72.A N ASN 70.A OD1 no hydrogen 2.804 N/A HIS 72.A ND1 VAL 150.A O no hydrogen 3.354 N/A VAL 73.A N ASN 70.A O no hydrogen 3.258 N/A CYS 74.A N ILE 152.A O no hydrogen 2.978 N/A CYS 74.A SG ILE 152.A O no hydrogen 3.848 N/A ARG 75.A NH1 LEU 2.A O no hydrogen 2.997 N/A ARG 75.A NH1 ALA 66.A O no hydrogen 3.060 N/A LEU 76.A N MET 65.A O no hydrogen 3.246 N/A LEU 77.A N ILE 88.A O no hydrogen 2.955 N/A GLY 78.A N ILE 88.A O no hydrogen 3.052 N/A ILE 79.A N ARG 4.A O no hydrogen 3.062 N/A CYS 80.A N GLN 86.A O no hydrogen 2.848 N/A CYS 80.A SG LEU 6.A O no hydrogen 3.171 N/A THR 82.A OG1 THR 84.A O no hydrogen 2.468 N/A THR 82.A OG1 THR 84.A OG1 no hydrogen 3.243 N/A THR 84.A N THR 82.A OG1 no hydrogen 2.232 N/A THR 84.A OG1 GLU 45.A OE2 no hydrogen 2.538 N/A THR 84.A OG1 THR 82.A OG1 no hydrogen 3.243 N/A GLN 86.A N CYS 80.A O no hydrogen 2.945 N/A LEU 87.A N LYS 44.A O no hydrogen 3.004 N/A ILE 88.A N GLY 78.A O no hydrogen 2.829 N/A MET 89.A N ALA 42.A O no hydrogen 3.015 N/A GLY 95.A N MET 92.A O no hydrogen 2.948 N/A LEU 97.A N VAL 142.A O no hydrogen 2.613 N/A LEU 98.A N ALA 139.A O no hydrogen 3.266 N/A TYR 100.A N CYS 96.A O no hydrogen 3.143 N/A VAL 101.A N LEU 97.A O no hydrogen 2.827 N/A ARG 102.A N LEU 98.A O no hydrogen 3.097 N/A ARG 102.A NE GLY 200.A O no hydrogen 2.678 N/A ARG 102.A NH2 GLY 200.A O no hydrogen 3.139 N/A GLU 103.A N ASP 99.A O no hydrogen 2.983 N/A HIS 104.A N TYR 100.A O no hydrogen 3.123 N/A HIS 104.A ND1 TYR 100.A O no hydrogen 3.127 N/A ASN 107.A N HIS 104.A O no hydrogen 3.000 N/A SER 110.A N ASP 273.A OD1 no hydrogen 3.174 N/A SER 110.A OG ASP 273.A OD1 no hydrogen 3.540 N/A SER 110.A OG ASP 273.A OD2 no hydrogen 2.720 N/A TYR 112.A N GLY 109.A O no hydrogen 3.123 N/A LEU 113.A N GLY 109.A O no hydrogen 3.208 N/A LEU 114.A N SER 110.A O no hydrogen 2.959 N/A ASN 115.A N GLN 111.A O no hydrogen 3.158 N/A ASN 115.A ND2 VAL 295.A O no hydrogen 3.066 N/A TRP 116.A N TYR 112.A O no hydrogen 2.822 N/A TRP 116.A NE1 PRO 147.A O no hydrogen 2.763 N/A CYS 117.A N LEU 113.A O no hydrogen 3.134 N/A CYS 117.A SG LEU 113.A O no hydrogen 3.051 N/A VAL 118.A N LEU 114.A O no hydrogen 3.096 N/A GLN 119.A N ASN 115.A O no hydrogen 2.957 N/A GLN 119.A NE2 GLN 148.A O no hydrogen 3.111 N/A ILE 120.A N TRP 116.A O no hydrogen 2.914 N/A ALA 121.A N CYS 117.A O no hydrogen 3.220 N/A LYS 122.A N VAL 118.A O no hydrogen 2.977 N/A GLY 123.A N GLN 119.A O no hydrogen 3.048 N/A MET 124.A N ILE 120.A O no hydrogen 2.947 N/A ASN 125.A N ALA 121.A O no hydrogen 2.711 N/A TYR 126.A N LYS 122.A O no hydrogen 2.826 N/A LEU 127.A N GLY 123.A O no hydrogen 3.002 N/A GLU 128.A N MET 124.A O no hydrogen 2.852 N/A ASP 129.A N ASN 125.A O no hydrogen 2.909 N/A ARG 130.A N TYR 126.A O no hydrogen 3.044 N/A ARG 130.A NH1 SER 67.A O no hydrogen 3.277 N/A ARG 130.A NH1 SER 67.A OG no hydrogen 3.420 N/A ARG 131.A N GLU 128.A O no hydrogen 3.013 N/A LEU 132.A N LEU 127.A O no hydrogen 2.978 N/A HIS 134.A N ASP 185.A OD2 no hydrogen 2.805 N/A HIS 134.A NE2 THR 153.A O no hydrogen 2.855 N/A ARG 135.A N ASP 185.A OD1 no hydrogen 3.187 N/A ASP 136.A N HIS 134.A ND1 no hydrogen 3.034 N/A ALA 139.A N GLU 195.A OE1 no hydrogen 2.872 N/A ARG 140.A NH1 ASP 136.A OD2 no hydrogen 3.568 N/A ASN 141.A N ALA 138.A O no hydrogen 2.821 N/A ASN 141.A ND2 ASP 136.A O no hydrogen 2.658 N/A ASN 141.A ND2 ASP 136.A OD2 no hydrogen 3.016 N/A VAL 142.A N ALA 139.A O no hydrogen 3.353 N/A LEU 143.A N LYS 151.A O no hydrogen 2.662 N/A VAL 144.A N GLY 95.A O no hydrogen 2.923 N/A LYS 145.A N HIS 149.A O no hydrogen 2.810 N/A LYS 145.A NZ GLN 90.A OE1 no hydrogen 3.208 N/A LYS 145.A NZ GLU 294.A OE2 no hydrogen 3.197 N/A THR 146.A N HIS 149.A O no hydrogen 3.239 N/A THR 146.A OG1 GLN 148.A OE1 no hydrogen 2.836 N/A GLN 148.A N THR 146.A OG1 no hydrogen 3.100 N/A GLN 148.A NE2 TYR 112.A OH no hydrogen 3.529 N/A HIS 149.A N THR 146.A O no hydrogen 2.865 N/A HIS 149.A ND1 ASP 292.A OD2 no hydrogen 2.511 N/A HIS 149.A NE2 PRO 71.A O no hydrogen 2.641 N/A VAL 150.A N GLN 119.A OE1 no hydrogen 3.003 N/A LYS 151.A N LEU 143.A O no hydrogen 2.853 N/A LYS 151.A NZ GLU 294.A OE2 no hydrogen 2.802 N/A ILE 152.A N HIS 72.A O no hydrogen 2.881 N/A THR 153.A N ASN 141.A O no hydrogen 2.919 N/A LEU 157.A N ASP 154.A O no hydrogen 3.503 N/A LYS 159.A NZ GLY 156.A O no hydrogen 3.191 N/A LEU 160.A N GLY 156.A O no hydrogen 2.861 N/A LEU 161.A N LEU 157.A O no hydrogen 2.899 N/A GLY 162.A N ALA 158.A O no hydrogen 3.226 N/A LYS 168.A NZ TYR 204.A O no hydrogen 3.249 N/A LYS 168.A NZ ILE 207.A O no hydrogen 2.689 N/A TRP 169.A N PRO 166.A O no hydrogen 2.936 N/A TRP 169.A NE1 GLU 195.A OE1 no hydrogen 2.949 N/A MET 170.A N ILE 167.A O no hydrogen 3.192 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.859 N/A SER 174.A N ALA 171.A O no hydrogen 2.979 N/A SER 174.A OG ILE 179.A O no hydrogen 2.686 N/A SER 174.A OG SER 184.A OG no hydrogen 3.268 N/A ILE 175.A N ALA 171.A O no hydrogen 3.273 N/A LEU 176.A N LEU 172.A O no hydrogen 2.937 N/A HIS 177.A N GLU 173.A O no hydrogen 2.898 N/A ARG 178.A N SER 174.A O no hydrogen 3.039 N/A ILE 179.A N GLU 173.A O no hydrogen 3.446 N/A HIS 182.A NE2 LEU 132.A O no hydrogen 3.151 N/A GLN 183.A NE2 ALA 244.A O no hydrogen 2.788 N/A GLN 183.A NE2 ARG 247.A O no hydrogen 3.269 N/A GLN 183.A NE2 PRO 248.A O no hydrogen 3.683 N/A SER 184.A N THR 181.A OG1 no hydrogen 3.042 N/A SER 184.A OG SER 174.A OG no hydrogen 3.268 N/A ASP 185.A N THR 181.A O no hydrogen 2.991 N/A VAL 186.A N HIS 182.A O no hydrogen 3.179 N/A VAL 186.A N GLN 183.A O no hydrogen 3.161 N/A TRP 187.A N SER 184.A O no hydrogen 3.163 N/A SER 188.A OG TRP 169.A O no hydrogen 2.904 N/A SER 188.A OG SER 184.A O no hydrogen 3.507 N/A TYR 189.A N ASP 185.A O no hydrogen 2.895 N/A TYR 189.A OH CYS 117.A O no hydrogen 2.546 N/A GLY 190.A N VAL 186.A O no hydrogen 2.931 N/A VAL 191.A N TRP 187.A O no hydrogen 2.955 N/A THR 192.A N SER 188.A O no hydrogen 2.746 N/A THR 192.A OG1 SER 188.A O no hydrogen 2.989 N/A VAL 193.A N TYR 189.A O no hydrogen 2.860 N/A TRP 194.A N GLY 190.A O no hydrogen 3.075 N/A TRP 194.A NE1 PRO 223.A O no hydrogen 2.821 N/A GLU 195.A N VAL 191.A O no hydrogen 2.953 N/A LEU 196.A N THR 192.A O no hydrogen 3.062 N/A MET 197.A N VAL 193.A O no hydrogen 2.840 N/A THR 198.A N TRP 194.A O no hydrogen 2.996 N/A THR 198.A OG1 TRP 194.A O no hydrogen 2.721 N/A THR 198.A OG1 GLU 195.A O no hydrogen 3.068 N/A PHE 199.A N LEU 196.A O no hydrogen 3.053 N/A GLY 200.A N GLU 195.A O no hydrogen 2.715 N/A SER 201.A N THR 198.A OG1 no hydrogen 3.316 N/A ILE 207.A N TYR 204.A O no hydrogen 2.959 N/A GLU 211.A N.A PRO 208.A O no hydrogen 3.158 N/A GLU 211.A N.B PRO 208.A O no hydrogen 3.153 N/A ILE 212.A N ALA 209.A O no hydrogen 3.013 N/A SER 214.A OG GLU 211.A O.B no hydrogen 3.335 N/A ILE 215.A N GLU 211.A O.A no hydrogen 3.148 N/A ILE 215.A N GLU 211.A O.B no hydrogen 3.047 N/A LEU 216.A N ILE 212.A O no hydrogen 3.011 N/A GLU 217.A N SER 213.A O no hydrogen 3.129 N/A LYS 218.A N SER 214.A O no hydrogen 3.173 N/A GLY 219.A N LEU 216.A O no hydrogen 2.817 N/A GLU 220.A N ILE 215.A O no hydrogen 3.307 N/A ARG 221.A NE TRP 240.A O no hydrogen 2.904 N/A ARG 221.A NH1 LEU 216.A O no hydrogen 3.070 N/A ARG 221.A NH1 GLU 220.A O no hydrogen 3.435 N/A ARG 221.A NH2 TRP 240.A O no hydrogen 2.837 N/A GLN 224.A NE2 CYS 228.A O no hydrogen 2.590 N/A CYS 228.A N PRO 225.A O no hydrogen 2.842 N/A THR 229.A N TYR 267.A O no hydrogen 3.328 N/A THR 229.A OG1 TYR 267.A O no hydrogen 2.762 N/A TYR 233.A N THR 229.A O no hydrogen 3.019 N/A TYR 233.A OH LEU 222.A O no hydrogen 2.711 N/A MET 234.A N ILE 230.A O no hydrogen 2.609 N/A ILE 235.A N VAL 232.A O no hydrogen 2.997 N/A MET 236.A N VAL 232.A O no hydrogen 3.327 N/A ARG 237.A N TYR 233.A O no hydrogen 2.923 N/A ARG 237.A NH2 TYR 233.A OH no hydrogen 2.867 N/A LYS 238.A N MET 234.A O no hydrogen 3.151 N/A CYS 239.A N ILE 235.A O no hydrogen 3.200 N/A CYS 239.A SG ILE 235.A O no hydrogen 3.490 N/A TRP 240.A N ARG 237.A O no hydrogen 3.058 N/A MET 241.A N LYS 238.A O no hydrogen 3.446 N/A ASP 245.A N ASP 243.A OD1 no hydrogen 3.377 N/A SER 246.A N ASP 243.A O no hydrogen 3.213 N/A SER 246.A OG ASP 243.A OD2 no hydrogen 2.387 N/A ARG 247.A N ALA 244.A O no hydrogen 3.337 N/A ARG 247.A NE MET 241.A O no hydrogen 2.799 N/A ARG 247.A NH1 GLU 173.A OE2 no hydrogen 2.959 N/A ARG 247.A NH1 GLN 183.A O no hydrogen 3.010 N/A ARG 247.A NH2 GLU 173.A OE1 no hydrogen 2.722 N/A ARG 247.A NH2 GLU 173.A OE2 no hydrogen 3.495 N/A ARG 247.A NH2 MET 241.A O no hydrogen 3.041 N/A ARG 247.A NH2 ILE 242.A O no hydrogen 3.301 N/A LEU 253.A N LYS 249.A O no hydrogen 2.925 N/A ILE 254.A N PHE 250.A O no hydrogen 2.664 N/A ILE 255.A N ARG 251.A O no hydrogen 3.169 N/A GLU 256.A N GLU 252.A O no hydrogen 2.964 N/A PHE 257.A N LEU 253.A O no hydrogen 3.057 N/A SER 258.A N ILE 254.A O no hydrogen 3.051 N/A SER 258.A OG ILE 254.A O no hydrogen 2.662 N/A LYS 259.A N ILE 255.A O no hydrogen 2.893 N/A MET 260.A N GLU 256.A O no hydrogen 2.908 N/A ALA 261.A N PHE 257.A O no hydrogen 2.978 N/A ARG 262.A N LYS 259.A O no hydrogen 3.167 N/A ASP 263.A N MET 260.A O no hydrogen 2.938 N/A ARG 266.A N ASP 263.A O no hydrogen 2.956 N/A TYR 267.A N PRO 264.A O no hydrogen 3.146 N/A LEU 268.A N PRO 264.A O no hydrogen 3.113 N/A VAL 269.A N ILE 227.A O no hydrogen 2.896 N/A MET 276.A N ASP 273.A O no hydrogen 2.914 N/A HIS 277.A ND1 LEU 278.A O no hydrogen 2.628 N/A SER 280.A OG THR 282.A OG1 no hydrogen 2.898 N/A THR 282.A OG1 SER 280.A OG no hydrogen 2.898 N/A ASP 283.A N SER 280.A OG no hydrogen 3.148 N/A SER 284.A N SER 280.A O no hydrogen 3.228 N/A ASN 285.A N PRO 281.A O no hydrogen 3.015 N/A PHE 286.A N THR 282.A O no hydrogen 2.963 N/A TYR 287.A N ASP 283.A O no hydrogen 2.896 N/A ARG 288.A N SER 284.A O no hydrogen 2.753 N/A ALA 289.A N ASN 285.A O no hydrogen 3.084 N/A LEU 290.A N PHE 286.A O no hydrogen 3.167 N/A MET 291.A N TYR 287.A O no hydrogen 2.876 N/A ASP 292.A N ARG 288.A O no hydrogen 2.960 N/A VAL 295.A N ASN 115.A OD1 no hydrogen 3.082 N/A ALA 297.A N GLN 111.A OE1 no hydrogen 3.282 N/A