Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bku_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 4.A OD1 no hydrogen 2.828 N/A GLY 1.A N ASP 4.A OD2 no hydrogen 3.346 N/A PHE 2.A N GLU 30.A OE1 no hydrogen 2.905 N/A LEU 3.A N GLU 30.A O no hydrogen 2.791 N/A ASP 4.A N GLY 1.A O no hydrogen 3.279 N/A GLY 5.A N GLY 31.A O no hydrogen 3.242 N/A LYS 6.A N LEU 3.A O no hydrogen 2.928 N/A LYS 6.A NZ ASP 137.A OD2 no hydrogen 3.387 N/A LYS 6.A NZ ASP 234.A OD1 no hydrogen 3.015 N/A ARG 7.A N ASP 85.A OD2 no hydrogen 2.757 N/A ARG 7.A NE GLU 33.A OE1 no hydrogen 2.821 N/A ARG 7.A NH2 GLU 33.A OE1 no hydrogen 3.347 N/A ILE 8.A N GLU 33.A O no hydrogen 2.933 N/A LEU 9.A N GLY 86.A O no hydrogen 2.910 N/A LEU 10.A N ALA 35.A O no hydrogen 2.853 N/A THR 11.A N VAL 88.A O no hydrogen 2.956 N/A THR 11.A OG1 VAL 88.A O no hydrogen 2.756 N/A LEU 14.A N SER 18.A OG no hydrogen 2.973 N/A SER 15.A N SER 18.A OG no hydrogen 3.029 N/A ARG 17.A N SER 15.A OG no hydrogen 2.991 N/A ARG 17.A NH2 LYS 192.A O no hydrogen 2.892 N/A SER 18.A N SER 15.A O no hydrogen 3.091 N/A SER 18.A OG SER 15.A O no hydrogen 3.351 N/A TYR 21.A N SER 18.A O no hydrogen 2.914 N/A TYR 21.A OH GLU 53.A OE2 no hydrogen 2.622 N/A GLY 22.A N SER 18.A O no hydrogen 3.428 N/A ILE 23.A N ILE 19.A O no hydrogen 2.996 N/A ALA 24.A N ALA 20.A O no hydrogen 2.865 N/A LYS 25.A N TYR 21.A O no hydrogen 2.959 N/A LYS 25.A NZ GLU 222.A OE2 no hydrogen 2.869 N/A ALA 26.A N GLY 22.A O no hydrogen 3.216 N/A CYS 27.A N ILE 23.A O no hydrogen 2.855 N/A CYS 27.A SG ILE 23.A O no hydrogen 3.340 N/A LYS 28.A N ALA 24.A O no hydrogen 2.914 N/A ARG 29.A N LYS 25.A O no hydrogen 3.110 N/A ARG 29.A NE GLU 30.A OE2 no hydrogen 3.050 N/A ARG 29.A NH1 ASN 226.A OD1 no hydrogen 2.972 N/A ARG 29.A NH2 GLU 30.A OE2 no hydrogen 3.111 N/A ARG 29.A NH2 ASN 226.A OD1 no hydrogen 2.709 N/A GLU 30.A N ALA 26.A O no hydrogen 3.082 N/A GLY 31.A N LYS 28.A O no hydrogen 3.105 N/A ALA 32.A N CYS 27.A O no hydrogen 3.001 N/A GLU 33.A N LYS 6.A O no hydrogen 2.750 N/A ALA 35.A N ILE 8.A O no hydrogen 2.994 N/A PHE 36.A N LEU 58.A O no hydrogen 2.857 N/A THR 37.A N LEU 10.A O no hydrogen 3.071 N/A TYR 38.A N PHE 60.A O no hydrogen 3.090 N/A PHE 43.A N GLY 40.A O no hydrogen 2.916 N/A LYS 44.A N ASP 41.A O no hydrogen 3.103 N/A ARG 46.A NH1 LEU 14.A O no hydrogen 2.946 N/A ILE 47.A N PHE 43.A O no hydrogen 3.002 N/A THR 48.A N LYS 44.A O no hydrogen 3.024 N/A THR 48.A OG1 LYS 44.A O no hydrogen 2.685 N/A GLU 49.A N ASP 45.A O no hydrogen 3.031 N/A PHE 50.A N ARG 46.A O no hydrogen 3.039 N/A ALA 51.A N ILE 47.A O no hydrogen 2.848 N/A ALA 52.A N THR 48.A O no hydrogen 3.032 N/A GLU 53.A N GLU 49.A O no hydrogen 2.985 N/A PHE 54.A N PHE 50.A O no hydrogen 3.190 N/A PHE 54.A N ALA 51.A O no hydrogen 2.988 N/A GLY 55.A N ALA 52.A O no hydrogen 2.927 N/A SER 56.A N ALA 51.A O no hydrogen 2.835 N/A SER 56.A OG LEU 34.A O no hydrogen 2.740 N/A LEU 58.A N SER 56.A OG no hydrogen 2.950 N/A PHE 60.A N PHE 36.A O no hydrogen 2.890 N/A CYS 62.A N TYR 38.A O no hydrogen 2.832 N/A CYS 62.A SG GLN 69.A O no hydrogen 3.837 N/A ASP 63.A N GLN 69.A OE1 no hydrogen 2.821 N/A ALA 65.A N ASP 63.A OD1 no hydrogen 2.915 N/A ASP 66.A N ASP 63.A O no hydrogen 3.037 N/A ALA 68.A N ASP 66.A OD1 no hydrogen 2.846 N/A GLN 69.A N ASP 66.A O no hydrogen 3.111 N/A GLN 69.A N ASP 66.A OD1 no hydrogen 3.383 N/A GLN 69.A NE2 ASP 66.A OD2 no hydrogen 3.177 N/A ILE 70.A N ASP 66.A O no hydrogen 3.165 N/A ASP 71.A N ASP 67.A O no hydrogen 3.077 N/A ALA 72.A N ALA 68.A O no hydrogen 2.964 N/A LEU 73.A N GLN 69.A O no hydrogen 2.904 N/A ALA 75.A N ASP 71.A O no hydrogen 3.147 N/A SER 76.A N ALA 72.A O no hydrogen 2.869 N/A SER 76.A OG ALA 72.A O no hydrogen 3.041 N/A LEU 77.A N LEU 73.A O no hydrogen 2.871 N/A LYS 78.A N PHE 74.A O no hydrogen 2.829 N/A LYS 78.A NZ ASP 82.A O no hydrogen 2.689 N/A THR 79.A N SER 76.A O no hydrogen 3.123 N/A THR 79.A OG1 SER 76.A O no hydrogen 2.758 N/A HIS 80.A N LEU 77.A O no hydrogen 2.860 N/A TRP 81.A N LEU 77.A O no hydrogen 2.892 N/A SER 83.A OG.A ASP 82.A OD2 no hydrogen 2.708 N/A SER 83.A OG.B MET 133.A O no hydrogen 3.162 N/A SER 83.A OG.B SER 135.A OG.B no hydrogen 2.203 N/A SER 83.A OG.C SER 135.A OG.B no hydrogen 3.199 N/A LEU 84.A N MET 133.A O no hydrogen 2.834 N/A ASP 85.A N ARG 7.A O no hydrogen 2.774 N/A GLY 86.A N ARG 7.A O no hydrogen 2.992 N/A LEU 87.A N SER 139.A O no hydrogen 3.141 N/A VAL 88.A N LEU 9.A O no hydrogen 2.810 N/A HIS 89.A N LEU 141.A O no hydrogen 2.760 N/A HIS 89.A ND1 THR 142.A OG1 no hydrogen 2.725 N/A HIS 89.A NE2 SER 122.A OG no hydrogen 2.866 N/A SER 90.A N THR 11.A OG1 no hydrogen 3.032 N/A PHE 93.A N SER 119.A OG no hydrogen 2.979 N/A ALA 98.A N PRO 95.A O no hydrogen 2.864 N/A ILE 99.A N ARG 96.A O no hydrogen 3.157 N/A GLY 101.A N ASN 154.A OD1 no hydrogen 2.873 N/A ASP 105.A N ASP 102.A OD2 no hydrogen 2.875 N/A GLY 106.A N ASP 102.A O no hydrogen 3.390 N/A LEU 107.A N LEU 104.A O no hydrogen 3.152 N/A ASN 111.A N THR 108.A OG1 no hydrogen 2.996 N/A ASN 111.A ND2 GLU 97.A OE2 no hydrogen 2.919 N/A ASN 111.A ND2 GLY 106.A O no hydrogen 2.975 N/A PHE 112.A N THR 108.A O no hydrogen 2.951 N/A ARG 113.A N ARG 109.A O no hydrogen 2.824 N/A ARG 113.A NE GLU 110.A OE1 no hydrogen 3.034 N/A ARG 113.A NH2 GLU 110.A OE2 no hydrogen 2.673 N/A ILE 114.A N GLU 110.A O no hydrogen 2.937 N/A ALA 115.A N ASN 111.A O no hydrogen 3.085 N/A HIS 116.A N PHE 112.A O no hydrogen 3.064 N/A HIS 116.A ND1 PHE 112.A O no hydrogen 2.941 N/A ASP 117.A N ARG 113.A O no hydrogen 2.796 N/A ILE 118.A N ILE 114.A O no hydrogen 2.931 N/A SER 119.A N ALA 115.A O no hydrogen 2.977 N/A SER 119.A OG PHE 93.A O no hydrogen 2.966 N/A SER 119.A OG ALA 115.A O no hydrogen 3.137 N/A ALA 120.A N HIS 116.A O no hydrogen 3.046 N/A TYR 121.A N HIS 116.A O no hydrogen 2.862 N/A SER 122.A N ASP 117.A O no hydrogen 3.244 N/A SER 122.A OG HIS 89.A NE2 no hydrogen 2.866 N/A SER 122.A OG ILE 118.A O no hydrogen 2.502 N/A PHE 123.A N ALA 120.A O no hydrogen 3.173 N/A ALA 125.A N TYR 121.A O no hydrogen 3.023 N/A LEU 126.A N SER 122.A O no hydrogen 3.001 N/A ALA 127.A N PHE 123.A O no hydrogen 3.065 N/A LYS 128.A N PRO 124.A O no hydrogen 2.902 N/A ALA 129.A N ALA 125.A O no hydrogen 3.071 N/A ALA 130.A N LEU 126.A O no hydrogen 2.891 N/A LEU 131.A N LYS 128.A O no hydrogen 3.351 N/A MET 133.A N ALA 130.A O no hydrogen 2.862 N/A LEU 134.A N LEU 131.A O no hydrogen 3.081 N/A SER 135.A N LEU 84.A O no hydrogen 2.934 N/A SER 135.A OG.A LEU 84.A O no hydrogen 3.306 N/A SER 135.A OG.A ASP 85.A OD1 no hydrogen 2.857 N/A SER 135.A OG.A ASP 137.A OD1 no hydrogen 3.313 N/A SER 135.A OG.B SER 83.A OG.B no hydrogen 2.203 N/A SER 135.A OG.B SER 83.A OG.C no hydrogen 3.199 N/A SER 135.A OG.B LEU 84.A O no hydrogen 3.563 N/A SER 135.A OG.B ASP 85.A OD1 no hydrogen 2.597 N/A ALA 138.A N SER 135.A O no hydrogen 3.124 N/A SER 139.A N ASP 85.A O no hydrogen 2.888 N/A SER 139.A OG LEU 231.A O no hydrogen 2.865 N/A LEU 140.A N ARG 182.A O no hydrogen 2.802 N/A LEU 141.A N LEU 87.A O no hydrogen 2.865 N/A THR 142.A N ASN 184.A O no hydrogen 3.042 N/A THR 142.A OG1 HIS 89.A ND1 no hydrogen 2.725 N/A THR 142.A OG1 HIS 89.A O no hydrogen 3.397 N/A SER 144.A N ILE 186.A O no hydrogen 2.825 N/A SER 144.A OG.A TYR 145.A O no hydrogen 3.544 N/A SER 144.A OG.A GLU 166.A OE2 no hydrogen 2.655 N/A SER 144.A OG.B GLU 166.A OE2 no hydrogen 2.975 N/A TYR 145.A N SER 144.A OG.A no hydrogen 2.645 N/A ALA 148.A N TYR 145.A O no hydrogen 2.932 N/A GLU 149.A N LEU 146.A O no hydrogen 2.858 N/A ARG 150.A N LEU 146.A O no hydrogen 3.103 N/A ARG 150.A NH1 ASN 251.A O no hydrogen 3.552 N/A ARG 150.A NH2 ASN 251.A O no hydrogen 2.848 N/A TYR 155.A N ILE 152.A O no hydrogen 3.093 N/A ASN 156.A ND2 GLY 101.A O no hydrogen 2.971 N/A THR 157.A N ALA 98.A O no hydrogen 3.334 N/A MET 158.A N TYR 155.A O no hydrogen 2.879 N/A GLY 159.A N ASN 156.A O no hydrogen 2.899 N/A ALA 161.A N THR 157.A O no hydrogen 3.175 N/A LYS 162.A N MET 158.A O no hydrogen 2.830 N/A LYS 162.A NZ LEU 143.A O no hydrogen 2.833 N/A ALA 163.A N GLY 159.A O no hydrogen 3.023 N/A ALA 164.A N LEU 160.A O no hydrogen 3.092 N/A LEU 165.A N ALA 161.A O no hydrogen 2.853 N/A GLU 166.A N LYS 162.A O no hydrogen 2.897 N/A ALA 167.A N ALA 163.A O no hydrogen 3.025 N/A SER 168.A N ALA 164.A O no hydrogen 2.875 N/A SER 168.A OG LEU 165.A O no hydrogen 2.654 N/A VAL 169.A N LEU 165.A O no hydrogen 3.072 N/A TYR 171.A N ALA 167.A O no hydrogen 3.052 N/A LEU 172.A N SER 168.A O no hydrogen 2.798 N/A ALA 173.A N VAL 169.A O no hydrogen 2.969 N/A VAL 174.A N ARG 170.A O no hydrogen 3.201 N/A SER 175.A N TYR 171.A O no hydrogen 3.028 N/A LEU 176.A N LEU 172.A O no hydrogen 2.839 N/A LYS 179.A NZ LEU 134.A O no hydrogen 2.932 N/A LYS 179.A NZ ASP 136.A OD1 no hydrogen 2.800 N/A VAL 181.A N LEU 176.A O no hydrogen 3.136 N/A ARG 182.A N ALA 138.A O no hydrogen 2.938 N/A ARG 182.A NH1 LEU 231.A O no hydrogen 3.005 N/A ARG 182.A NH1 VAL 239.A O no hydrogen 3.147 N/A ARG 182.A NH2 LEU 231.A O no hydrogen 2.977 N/A VAL 183.A N THR 240.A OG1 no hydrogen 2.934 N/A ASN 184.A N LEU 140.A O no hydrogen 2.992 N/A ASN 184.A ND2 VAL 239.A O no hydrogen 3.046 N/A ALA 185.A N GLU 242.A O no hydrogen 2.820 N/A ILE 186.A N THR 142.A O no hydrogen 2.957 N/A SER 187.A N MET 244.A O no hydrogen 2.717 N/A ALA 188.A N SER 144.A O no hydrogen 3.096 N/A GLY 189.A N VAL 246.A O no hydrogen 3.015 N/A ILE 199.A N ALA 196.A O no hydrogen 2.885 N/A GLY 203.A N SER 201.A OG no hydrogen 3.383 N/A LEU 206.A N PHE 202.A O no hydrogen 2.967 N/A ASP 207.A N GLY 203.A O no hydrogen 2.936 N/A PHE 208.A N LYS 204.A O no hydrogen 2.917 N/A VAL 209.A N ILE 205.A O no hydrogen 2.846 N/A GLU 210.A N LEU 206.A O no hydrogen 2.951 N/A SER 211.A N ASP 207.A O no hydrogen 2.969 N/A SER 211.A OG.A ASP 207.A O no hydrogen 3.143 N/A ASN 212.A N PHE 208.A O no hydrogen 2.862 N/A ASN 212.A ND2 PHE 208.A O no hydrogen 3.056 N/A SER 213.A N VAL 209.A O no hydrogen 2.909 N/A SER 213.A OG VAL 209.A O no hydrogen 2.740 N/A SER 213.A OG ARG 217.A O no hydrogen 3.451 N/A LEU 215.A N SER 248.A O no hydrogen 3.321 N/A LYS 216.A N SER 213.A O no hydrogen 2.970 N/A LYS 216.A NZ SER 213.A O no hydrogen 2.935 N/A ARG 217.A N SER 213.A OG no hydrogen 3.359 N/A ASN 218.A ND2 LEU 206.A O no hydrogen 2.969 N/A THR 220.A N GLN 223.A OE1 no hydrogen 3.154 N/A GLN 223.A N THR 220.A OG1 no hydrogen 3.133 N/A VAL 224.A N THR 220.A O no hydrogen 3.067 N/A GLY 225.A N ILE 221.A O no hydrogen 2.707 N/A ASN 226.A N GLU 222.A O no hydrogen 2.955 N/A ALA 227.A N GLN 223.A O no hydrogen 3.233 N/A GLY 228.A N VAL 224.A O no hydrogen 2.895 N/A ALA 229.A N GLY 225.A O no hydrogen 2.827 N/A PHE 230.A N ASN 226.A O no hydrogen 2.980 N/A LEU 231.A N ALA 227.A O no hydrogen 3.024 N/A LEU 232.A N GLY 228.A O no hydrogen 2.949 N/A SER 233.A N PHE 230.A O no hydrogen 3.007 N/A SER 233.A OG PHE 230.A O no hydrogen 2.643 N/A LEU 235.A N SER 233.A OG no hydrogen 3.139 N/A ALA 236.A N SER 233.A O no hydrogen 3.048 N/A SER 237.A N ASP 234.A O no hydrogen 3.211 N/A SER 237.A OG ASP 234.A O no hydrogen 3.271 N/A VAL 239.A N ALA 236.A O no hydrogen 2.858 N/A THR 240.A OG1 VAL 183.A O no hydrogen 3.434 N/A ALA 241.A N VAL 183.A O no hydrogen 2.710 N/A GLU 242.A N ASN 184.A OD1 no hydrogen 2.998 N/A MET 244.A N ALA 185.A O no hydrogen 2.836 N/A HIS 245.A NE2 GLU 149.A OE2 no hydrogen 2.721 N/A VAL 246.A N SER 187.A O no hydrogen 2.936 N/A SER 248.A OG ARG 217.A O no hydrogen 2.711 N/A GLY 249.A N ASP 247.A OD1 no hydrogen 2.782 N/A PHE 250.A N ASP 247.A O no hydrogen 3.149 N/A ASN 251.A N ASP 247.A OD2 no hydrogen 2.875 N/A ASN 251.A ND2 ASP 247.A OD1 no hydrogen 3.312 N/A ASN 251.A ND2 ASP 247.A OD2 no hydrogen 2.836 N/A ALA 252.A N GLY 249.A O no hydrogen 3.031 N/A VAL 253.A N PHE 250.A O no hydrogen 3.305 N/A GLY 256.A N ASN 212.A OD1 no hydrogen 2.720 N/A