Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kbk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N TYR 7.A O no hydrogen 2.902 N/A GLY 4.A N GLU 64.A OE1 no hydrogen 2.764 N/A ARG 6.A N GLY 4.A O no hydrogen 2.875 N/A ARG 6.A NE ASP 24.A OD1 no hydrogen 2.895 N/A ARG 6.A NH2 ASP 24.A OD1 no hydrogen 3.155 N/A ARG 6.A NH2 ASP 24.A OD2 no hydrogen 2.781 N/A TYR 7.A N VAL 3.A O no hydrogen 2.927 N/A ARG 8.A N THR 23.A O no hydrogen 2.937 N/A LEU 9.A N LEU 1.A O no hydrogen 2.806 N/A GLY 10.A N LEU 21.A O no hydrogen 2.750 N/A ILE 13.A N ILE 19.A O no hydrogen 2.751 N/A GLY 14.A N ILE 19.A O no hydrogen 3.212 N/A GLY 16.A N GLY 17.A O no hydrogen 3.235 N/A ILE 19.A N GLY 14.A O no hydrogen 2.867 N/A TYR 20.A N ILE 33.A O no hydrogen 2.798 N/A LEU 21.A N ARG 11.A O no hydrogen 2.817 N/A GLY 22.A N VAL 31.A O no hydrogen 2.999 N/A THR 23.A N ARG 8.A O no hydrogen 2.938 N/A THR 23.A OG1 GLU 30.A OE1 no hydrogen 2.771 N/A ASP 24.A N GLU 29.A O no hydrogen 2.715 N/A ILE 25.A N ARG 6.A O no hydrogen 2.880 N/A ALA 27.A N ASP 24.A OD1 no hydrogen 3.277 N/A GLU 29.A N ASP 24.A O no hydrogen 3.164 N/A VAL 31.A N GLY 22.A O no hydrogen 2.846 N/A ALA 32.A N MET 72.A O no hydrogen 2.919 N/A ILE 33.A N TYR 20.A O no hydrogen 2.832 N/A LYS 34.A N MET 70.A O no hydrogen 2.811 N/A LYS 34.A NZ GLU 42.A OE1 no hydrogen 2.915 N/A LEU 35.A N ASP 18.A O no hydrogen 3.056 N/A GLU 36.A N ASN 68.A O no hydrogen 2.937 N/A CYS 37.A SG ASP 66.A O no hydrogen 3.878 N/A LEU 39.A N GLU 36.A OE2 no hydrogen 2.983 N/A GLU 42.A N GLN 38.A O no hydrogen 2.934 N/A SER 43.A N LEU 39.A O no hydrogen 2.897 N/A SER 43.A OG LEU 39.A O no hydrogen 3.386 N/A SER 43.A OG HIS 40.A O no hydrogen 2.714 N/A LYS 44.A N HIS 40.A O no hydrogen 3.213 N/A TYR 46.A N GLU 42.A O no hydrogen 3.041 N/A LYS 47.A N SER 43.A O no hydrogen 2.896 N/A MET 48.A N LYS 44.A O no hydrogen 3.035 N/A MET 49.A N ILE 45.A O no hydrogen 3.009 N/A GLN 50.A N LYS 47.A O no hydrogen 3.336 N/A GLN 50.A NE2 TYR 46.A O no hydrogen 2.827 N/A GLN 50.A NE2 PRO 56.A O no hydrogen 2.919 N/A GLY 52.A N MET 49.A O no hydrogen 3.321 N/A ILE 55.A N GLY 52.A O no hydrogen 3.199 N/A THR 57.A N GLU 73.A OE1 no hydrogen 2.922 N/A THR 57.A OG1 GLU 73.A OE1 no hydrogen 3.345 N/A ILE 58.A N GLN 50.A OE1 no hydrogen 2.992 N/A ARG 59.A N VAL 71.A O no hydrogen 2.775 N/A TRP 60.A N VAL 71.A O no hydrogen 3.443 N/A CYS 61.A SG VAL 69.A O no hydrogen 3.585 N/A GLY 62.A N VAL 69.A O no hydrogen 2.927 N/A GLU 64.A N TYR 67.A O no hydrogen 2.842 N/A TYR 67.A N GLU 64.A O no hydrogen 2.858 N/A ASN 68.A N GLU 36.A O no hydrogen 2.724 N/A VAL 69.A N GLY 62.A O no hydrogen 2.797 N/A MET 70.A N LYS 34.A O no hydrogen 3.022 N/A VAL 71.A N TRP 60.A O no hydrogen 2.746 N/A MET 72.A N ALA 32.A O no hydrogen 2.805 N/A GLU 73.A N THR 57.A O no hydrogen 3.054 N/A GLY 76.A N MET 126.A O no hydrogen 2.651 N/A LEU 79.A N PHE 124.A O no hydrogen 2.933 N/A ASP 81.A N SER 78.A OG no hydrogen 3.052 N/A LEU 82.A N SER 78.A O no hydrogen 2.945 N/A PHE 83.A N LEU 79.A O no hydrogen 2.807 N/A ASN 84.A N GLU 80.A O no hydrogen 3.033 N/A PHE 85.A N ASP 81.A O no hydrogen 2.926 N/A CYS 86.A N LEU 82.A O no hydrogen 2.949 N/A CYS 86.A N PHE 83.A O no hydrogen 3.220 N/A CYS 86.A SG LEU 82.A O no hydrogen 3.276 N/A SER 87.A N ASN 84.A O no hydrogen 3.177 N/A ARG 88.A N PHE 83.A O no hydrogen 2.767 N/A ARG 88.A NH1 GLU 80.A OE2 no hydrogen 3.230 N/A ARG 88.A NH1 ASN 84.A OD1 no hydrogen 2.809 N/A ARG 88.A NH2 TYR 195.A OH no hydrogen 2.689 N/A ARG 88.A NH2 GLY 199.A O no hydrogen 3.036 N/A SER 91.A N ASP 279.A OD2 no hydrogen 2.702 N/A SER 91.A OG ASP 279.A OD1 no hydrogen 2.736 N/A SER 91.A OG ASP 279.A OD2 no hydrogen 3.390 N/A LYS 93.A NZ SER 273.A O no hydrogen 3.476 N/A LYS 93.A NZ ASP 275.A OD1 no hydrogen 2.769 N/A LYS 93.A NZ ASP 275.A OD2 no hydrogen 3.413 N/A THR 94.A N SER 91.A OG no hydrogen 3.330 N/A VAL 95.A N SER 91.A O no hydrogen 3.201 N/A LEU 96.A N LEU 92.A O no hydrogen 3.020 N/A LEU 97.A N LYS 93.A O no hydrogen 2.949 N/A LEU 98.A N THR 94.A O no hydrogen 2.952 N/A ALA 99.A N VAL 95.A O no hydrogen 2.784 N/A ASP 100.A N LEU 96.A O no hydrogen 3.190 N/A GLN 101.A NE2 ASN 133.A O no hydrogen 2.834 N/A MET 102.A N LEU 98.A O no hydrogen 2.940 N/A ILE 103.A N ALA 99.A O no hydrogen 3.017 N/A SER 104.A N ASP 100.A O no hydrogen 3.467 N/A SER 104.A OG ASP 100.A O no hydrogen 3.277 N/A ARG 105.A N GLN 101.A O no hydrogen 2.915 N/A ARG 105.A NE VAL 135.A O no hydrogen 2.719 N/A ARG 105.A NH2 GLN 101.A OE1 no hydrogen 2.855 N/A ARG 105.A NH2 VAL 135.A O no hydrogen 3.524 N/A ILE 106.A N MET 102.A O no hydrogen 3.153 N/A GLU 107.A N ILE 103.A O no hydrogen 2.951 N/A TYR 108.A N SER 104.A O no hydrogen 3.037 N/A TYR 108.A OH MET 49.A O no hydrogen 2.947 N/A ILE 109.A N ARG 105.A O no hydrogen 3.112 N/A HIS 110.A N ILE 106.A O no hydrogen 3.015 N/A HIS 110.A ND1 TYR 256.A OH no hydrogen 2.672 N/A HIS 110.A NE2 ASP 185.A OD2 no hydrogen 2.692 N/A SER 111.A N GLU 107.A O no hydrogen 2.900 N/A SER 111.A OG TYR 108.A O no hydrogen 2.713 N/A LYS 112.A N TYR 108.A O no hydrogen 3.221 N/A LYS 112.A N ILE 109.A O no hydrogen 3.073 N/A ASN 113.A N HIS 110.A O no hydrogen 3.028 N/A PHE 114.A N ILE 109.A O no hydrogen 3.261 N/A ILE 115.A N LYS 144.A O no hydrogen 2.951 N/A HIS 116.A N ASP 185.A OD2 no hydrogen 2.837 N/A HIS 116.A NE2 ILE 138.A O no hydrogen 2.902 N/A ARG 117.A N ASP 185.A OD1 no hydrogen 2.890 N/A ARG 117.A NE LEU 142.A O no hydrogen 2.810 N/A ARG 117.A NH2 LEU 142.A O no hydrogen 2.983 N/A ASP 118.A N HIS 116.A ND1 no hydrogen 3.127 N/A ASN 123.A N LYS 120.A O no hydrogen 3.036 N/A ASN 123.A ND2 ASP 118.A O no hydrogen 2.799 N/A PHE 124.A N PRO 121.A O no hydrogen 3.299 N/A LEU 125.A N TYR 136.A O no hydrogen 2.889 N/A MET 126.A N PRO 77.A O no hydrogen 2.972 N/A GLY 127.A N LEU 134.A O no hydrogen 2.898 N/A LYS 131.A N LEU 128.A O no hydrogen 3.143 N/A GLY 132.A N GLY 129.A O no hydrogen 3.209 N/A LEU 134.A N LYS 131.A O no hydrogen 3.065 N/A VAL 135.A N GLN 101.A OE1 no hydrogen 2.910 N/A TYR 136.A N LEU 125.A O no hydrogen 2.718 N/A ILE 137.A N GLY 54.A O no hydrogen 3.088 N/A ILE 138.A N ASN 123.A O no hydrogen 2.873 N/A ASP 139.A N TYR 46.A OH no hydrogen 2.892 N/A PHE 140.A N GLU 42.A OE2 no hydrogen 2.828 N/A GLY 141.A N ASP 139.A OD2 no hydrogen 3.239 N/A ALA 143.A N PHE 140.A O no hydrogen 3.210 N/A LYS 144.A N ILE 115.A O no hydrogen 3.200 N/A LYS 144.A NZ GLU 179.A OE1 no hydrogen 3.001 N/A TYR 146.A N ASN 113.A O no hydrogen 3.026 N/A TYR 146.A OH HIS 110.A O no hydrogen 2.563 N/A ARG 147.A NE ASN 113.A OD1 no hydrogen 2.682 N/A ARG 147.A NH2 SER 111.A O no hydrogen 3.329 N/A ARG 147.A NH2 ASN 113.A OD1 no hydrogen 3.218 N/A ASP 148.A N GLN 153.A O no hydrogen 3.038 N/A ARG 150.A N ASP 148.A OD2 no hydrogen 3.032 N/A THR 151.A N ASP 148.A OD2 no hydrogen 3.056 N/A HIS 152.A N ASP 148.A O no hydrogen 2.878 N/A GLN 153.A N THR 151.A OG1 no hydrogen 3.377 N/A HIS 154.A ND1 ILE 155.A O no hydrogen 3.090 N/A ILE 155.A N TYR 146.A O no hydrogen 2.765 N/A LYS 161.A N GLY 177.A O no hydrogen 2.846 N/A THR 166.A N ASP 118.A OD1 no hydrogen 3.089 N/A THR 166.A OG1 ASP 118.A OD1 no hydrogen 3.069 N/A ARG 168.A NH1 TYR 169.A OH no hydrogen 3.226 N/A TYR 169.A N THR 166.A O no hydrogen 3.350 N/A ALA 170.A N ALA 167.A O no hydrogen 3.288 N/A SER 171.A OG THR 174.A OG1 no hydrogen 2.800 N/A SER 171.A OG ASP 184.A OD1 no hydrogen 2.671 N/A ILE 172.A N GLU 187.A OE2 no hydrogen 3.056 N/A THR 174.A N SER 171.A OG no hydrogen 3.079 N/A THR 174.A OG1 SER 171.A OG no hydrogen 2.800 N/A HIS 175.A N SER 171.A O no hydrogen 3.181 N/A LEU 176.A N ILE 172.A O no hydrogen 2.995 N/A GLY 177.A N THR 174.A O no hydrogen 3.065 N/A ILE 178.A N ASN 173.A O no hydrogen 2.947 N/A GLU 179.A N ARG 158.A O no hydrogen 2.859 N/A SER 181.A N ASP 184.A OD2 no hydrogen 2.723 N/A SER 181.A OG ASP 184.A OD2 no hydrogen 3.477 N/A SER 181.A OG PHE 250.A O no hydrogen 2.799 N/A ARG 182.A NH2 ASP 251.A O no hydrogen 3.050 N/A ARG 183.A NH1 LEU 248.A O no hydrogen 2.979 N/A ASP 184.A N SER 181.A O no hydrogen 3.144 N/A ASP 185.A N ARG 182.A O no hydrogen 3.250 N/A LEU 186.A N ARG 182.A O no hydrogen 3.451 N/A GLU 187.A N ARG 183.A O no hydrogen 2.880 N/A SER 188.A N ASP 184.A O no hydrogen 3.045 N/A SER 188.A OG TYR 169.A O no hydrogen 2.707 N/A SER 188.A OG ASP 184.A O no hydrogen 3.181 N/A LEU 189.A N ASP 185.A O no hydrogen 3.091 N/A GLY 190.A N LEU 186.A O no hydrogen 3.066 N/A TYR 191.A N GLU 187.A O no hydrogen 3.132 N/A TYR 191.A OH GLU 187.A OE2 no hydrogen 2.664 N/A VAL 192.A N SER 188.A O no hydrogen 2.974 N/A LEU 193.A N LEU 189.A O no hydrogen 2.947 N/A MET 194.A N GLY 190.A O no hydrogen 3.191 N/A TYR 195.A N TYR 191.A O no hydrogen 2.863 N/A TYR 195.A OH GLU 80.A OE1 no hydrogen 3.062 N/A TYR 195.A OH GLU 80.A OE2 no hydrogen 3.077 N/A PHE 196.A N VAL 192.A O no hydrogen 2.913 N/A ASN 197.A N LEU 193.A O no hydrogen 3.045 N/A LEU 198.A N MET 194.A O no hydrogen 2.875 N/A GLY 199.A N TYR 195.A O no hydrogen 2.780 N/A SER 200.A OG LEU 201.A O no hydrogen 3.371 N/A LEU 201.A N GLN 204.A OE1 no hydrogen 3.041 N/A TRP 203.A NE1 ARG 168.A O no hydrogen 2.775 N/A GLN 204.A N LEU 201.A O no hydrogen 3.042 N/A LYS 211.A NZ TYR 215.A OH no hydrogen 3.100 N/A LYS 214.A N THR 210.A O no hydrogen 3.064 N/A TYR 215.A N LYS 211.A O no hydrogen 2.949 N/A GLU 216.A N ARG 212.A O no hydrogen 3.200 N/A ARG 217.A N GLN 213.A O no hydrogen 3.051 N/A ILE 218.A N LYS 214.A O no hydrogen 2.826 N/A SER 219.A N TYR 215.A O no hydrogen 2.885 N/A GLU 220.A N GLU 216.A O no hydrogen 3.160 N/A LYS 221.A N ARG 217.A O no hydrogen 3.029 N/A LYS 222.A N ILE 218.A O no hydrogen 2.850 N/A LYS 222.A NZ ALA 167.A O no hydrogen 2.723 N/A LYS 222.A NZ ARG 168.A O no hydrogen 3.389 N/A LYS 222.A NZ ALA 170.A O no hydrogen 2.723 N/A LYS 222.A NZ HIS 175.A NE2 no hydrogen 2.752 N/A MET 223.A N SER 219.A O no hydrogen 2.928 N/A SER 224.A N GLU 220.A O no hydrogen 3.031 N/A SER 224.A N LYS 221.A O no hydrogen 3.324 N/A SER 224.A OG GLU 220.A O no hydrogen 3.074 N/A SER 224.A OG LYS 221.A O no hydrogen 3.351 N/A THR 225.A N LYS 222.A O no hydrogen 3.363 N/A THR 225.A OG1 LYS 221.A O no hydrogen 2.673 N/A VAL 229.A N PRO 226.A O no hydrogen 2.955 N/A LEU 230.A N PRO 226.A O no hydrogen 2.956 N/A CYS 231.A N ILE 227.A O no hydrogen 2.954 N/A CYS 231.A SG ILE 227.A O no hydrogen 3.504 N/A LYS 232.A N VAL 229.A O no hydrogen 3.248 N/A TYR 234.A N CYS 231.A O no hydrogen 3.116 N/A SER 236.A OG GLU 237.A OE2 no hydrogen 3.492 N/A GLU 237.A N GLU 237.A OE2 no hydrogen 2.775 N/A PHE 238.A N PRO 235.A O no hydrogen 3.309 N/A THR 240.A N SER 236.A O no hydrogen 2.932 N/A THR 240.A OG1 SER 236.A O no hydrogen 3.142 N/A TYR 241.A N GLU 237.A O no hydrogen 2.822 N/A TYR 241.A OH LEU 186.A O no hydrogen 2.688 N/A LEU 242.A N PHE 238.A O no hydrogen 3.204 N/A ASN 243.A N ALA 239.A O no hydrogen 2.840 N/A PHE 244.A N THR 240.A O no hydrogen 2.992 N/A CYS 245.A N TYR 241.A O no hydrogen 3.083 N/A CYS 245.A SG TYR 241.A O no hydrogen 3.376 N/A ARG 246.A N LEU 242.A O no hydrogen 3.017 N/A SER 247.A N ASN 243.A O no hydrogen 3.087 N/A SER 247.A N PHE 244.A O no hydrogen 3.217 N/A SER 247.A OG ASN 243.A O no hydrogen 2.823 N/A LEU 248.A N CYS 245.A O no hydrogen 3.270 N/A ARG 249.A N ASP 252.A OD2 no hydrogen 2.848 N/A ARG 249.A NE ASP 252.A OD1 no hydrogen 2.927 N/A ARG 249.A NE ASP 252.A OD2 no hydrogen 3.344 N/A ARG 249.A NH2 ASP 252.A OD1 no hydrogen 2.964 N/A ASP 252.A N ARG 249.A O no hydrogen 3.133 N/A TYR 256.A OH HIS 110.A ND1 no hydrogen 2.672 N/A TYR 258.A N ASP 255.A OD1 no hydrogen 3.202 N/A LEU 259.A N ASP 255.A O no hydrogen 3.261 N/A ARG 260.A N TYR 256.A O no hydrogen 2.944 N/A ARG 260.A NH1 GLU 107.A OE1 no hydrogen 2.752 N/A ARG 260.A NH2 GLU 107.A OE1 no hydrogen 2.921 N/A GLN 261.A N SER 257.A O no hydrogen 2.882 N/A LEU 262.A N TYR 258.A O no hydrogen 2.957 N/A ARG 264.A N ARG 260.A O no hydrogen 2.927 N/A ASN 265.A N GLN 261.A O no hydrogen 2.922 N/A ASN 265.A ND2 GLN 261.A OE1 no hydrogen 2.871 N/A LEU 266.A N LEU 262.A O no hydrogen 3.363 N/A PHE 267.A N PHE 263.A O no hydrogen 2.852 N/A HIS 268.A N ARG 264.A O no hydrogen 2.959 N/A ARG 269.A N ASN 265.A O no hydrogen 2.963 N/A ARG 269.A NH1 GLU 237.A OE1 no hydrogen 2.966 N/A GLN 270.A N LEU 266.A O no hydrogen 2.983 N/A GLY 271.A N HIS 268.A O no hydrogen 2.983 N/A PHE 272.A N PHE 267.A O no hydrogen 3.237 N/A SER 273.A OG ASP 275.A OD2 no hydrogen 3.331 N/A VAL 277.A N ASP 275.A OD1 no hydrogen 3.142 N/A PHE 278.A N ASN 281.A OD1 no hydrogen 2.958 N/A ASP 279.A N THR 94.A OG1 no hydrogen 2.932 N/A ASN 281.A N PHE 278.A O no hydrogen 3.066 N/A MET 282.A N ASP 279.A O no hydrogen 3.181 N/A