Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bfu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N LYS 50.A O no hydrogen 2.849 N/A VAL 7.A N ASP 84.A OD2 no hydrogen 2.848 N/A VAL 8.A N LYS 52.A O no hydrogen 2.939 N/A THR 9.A N ILE 85.A O no hydrogen 2.808 N/A THR 10.A N THR 54.A O no hydrogen 3.059 N/A THR 10.A OG1 ILE 87.A O no hydrogen 2.885 N/A TYR 16.A N GLU 13.A O no hydrogen 2.758 N/A VAL 17.A N GLU 13.A O no hydrogen 3.064 N/A MET 18.A N GLU 33.A O no hydrogen 2.782 N/A LYS 20.A N ARG 31.A O no hydrogen 2.940 N/A LYS 20.A NZ GLU 30.A O no hydrogen 2.729 N/A HIS 23.A N LYS 20.A O no hydrogen 3.055 N/A HIS 23.A ND1 LYS 20.A O no hydrogen 2.826 N/A GLU 24.A N GLU 24.A OE1 no hydrogen 2.627 N/A MET 25.A N ASN 22.A O no hydrogen 3.034 N/A LEU 26.A N HIS 23.A O no hydrogen 2.832 N/A ASN 29.A ND2 TYR 51.A O no hydrogen 2.787 N/A ARG 31.A N GLY 28.A O no hydrogen 3.357 N/A ARG 31.A NE GLY 28.A O no hydrogen 2.626 N/A ARG 31.A NH2 GLY 28.A O no hydrogen 3.223 N/A TYR 32.A N ASN 29.A O no hydrogen 3.199 N/A GLU 33.A N MET 18.A O no hydrogen 2.932 N/A TYR 35.A N PRO 15.A O no hydrogen 2.949 N/A CYS 36.A N TYR 16.A O no hydrogen 2.880 N/A ASP 38.A N GLY 34.A O no hydrogen 2.920 N/A LEU 39.A N TYR 35.A O no hydrogen 2.859 N/A ALA 40.A N CYS 36.A O no hydrogen 2.844 N/A ALA 41.A N VAL 37.A O no hydrogen 3.260 N/A GLU 42.A N ASP 38.A O no hydrogen 3.064 N/A ILE 43.A N LEU 39.A O no hydrogen 2.826 N/A ALA 44.A N ALA 40.A O no hydrogen 2.959 N/A LYS 45.A N ALA 41.A O no hydrogen 3.023 N/A LYS 45.A NZ HIS 46.A NE2 no hydrogen 2.954 N/A HIS 46.A N GLU 42.A O no hydrogen 3.007 N/A CYS 47.A N ILE 43.A O no hydrogen 2.765 N/A CYS 47.A SG ILE 43.A O no hydrogen 3.395 N/A PHE 49.A N ALA 44.A O no hydrogen 3.123 N/A LYS 52.A N VAL 6.A O no hydrogen 2.971 N/A LEU 53.A N ASN 29.A OD1 no hydrogen 2.703 N/A THR 54.A N VAL 8.A O no hydrogen 2.827 N/A THR 54.A OG1 VAL 8.A O no hydrogen 2.901 N/A VAL 56.A N THR 10.A O no hydrogen 2.847 N/A GLY 59.A N VAL 56.A O no hydrogen 3.227 N/A LYS 60.A N ASP 58.A OD1 no hydrogen 2.821 N/A TYR 61.A OH GLU 13.A OE1 no hydrogen 2.575 N/A ALA 63.A N ASN 72.A OD1 no hydrogen 2.839 N/A ASP 65.A N ILE 70.A O no hydrogen 2.947 N/A ASP 67.A N ASP 65.A OD2 no hydrogen 3.134 N/A THR 68.A N ASP 65.A OD2 no hydrogen 3.154 N/A LYS 69.A N ASP 65.A O no hydrogen 2.721 N/A LYS 69.A NZ ALA 66.A O no hydrogen 2.900 N/A LYS 69.A NZ ASP 67.A O no hydrogen 2.725 N/A ILE 70.A N THR 68.A OG1 no hydrogen 3.234 N/A TRP 71.A N TYR 80.A OH no hydrogen 3.019 N/A ASN 72.A N ALA 63.A O no hydrogen 2.934 N/A GLY 73.A N ASP 58.A OD2 no hydrogen 2.632 N/A MET 74.A N LYS 60.A O no hydrogen 3.108 N/A VAL 75.A N TYR 61.A O no hydrogen 3.289 N/A GLY 76.A N ASN 72.A O no hydrogen 3.029 N/A GLU 77.A N GLY 73.A O no hydrogen 3.100 N/A LEU 78.A N MET 74.A O no hydrogen 3.199 N/A LEU 78.A N VAL 75.A O no hydrogen 3.148 N/A VAL 79.A N VAL 75.A O no hydrogen 2.913 N/A TYR 80.A N GLY 76.A O no hydrogen 2.917 N/A GLY 81.A N LEU 78.A O no hydrogen 3.060 N/A LYS 82.A N GLU 77.A O no hydrogen 2.730 N/A ALA 83.A N GLU 77.A O no hydrogen 3.044 N/A ASP 84.A N VAL 7.A O no hydrogen 2.815 N/A ILE 85.A N VAL 7.A O no hydrogen 3.261 N/A ALA 86.A N ALA 223.A O no hydrogen 2.769 N/A ILE 87.A N THR 9.A O no hydrogen 3.241 N/A LEU 90.A N ALA 88.A O no hydrogen 2.716 N/A THR 91.A OG1 SER 142.A OG no hydrogen 3.138 N/A THR 91.A OG1 GLU 193.A OE2 no hydrogen 2.644 N/A ILE 92.A N GLY 219.A O no hydrogen 2.947 N/A ARG 96.A N THR 93.A OG1 no hydrogen 3.340 N/A ARG 96.A NE GLY 62.A O no hydrogen 3.306 N/A ARG 96.A NH1 THR 91.A O no hydrogen 2.928 N/A ARG 96.A NH2 GLY 62.A O no hydrogen 2.956 N/A GLU 97.A N THR 93.A O no hydrogen 2.908 N/A GLU 98.A N LEU 94.A O no hydrogen 3.131 N/A VAL 99.A N ARG 96.A O no hydrogen 2.942 N/A ILE 100.A N ARG 96.A O no hydrogen 2.923 N/A ASP 101.A N THR 224.A O no hydrogen 2.936 N/A SER 103.A N ILE 222.A O no hydrogen 2.928 N/A SER 103.A OG LYS 104.A O no hydrogen 2.967 N/A LYS 104.A N ASN 235.A OD1 no hydrogen 2.717 N/A PHE 106.A N TYR 220.A O no hydrogen 2.919 N/A LEU 109.A N LYS 218.A O no hydrogen 2.967 N/A GLY 110.A N SER 194.A OG no hydrogen 3.148 N/A ILE 111.A N ASP 216.A OD1 no hydrogen 2.709 N/A SER 112.A N LEU 192.A O no hydrogen 2.645 N/A SER 112.A OG LEU 192.A O no hydrogen 2.914 N/A MET 114.A N TYR 190.A O no hydrogen 2.797 N/A ILE 115.A N MET 209.A O no hydrogen 2.972 N/A LYS 116.A NZ ARG 182.A O no hydrogen 2.840 N/A LYS 116.A NZ ASP 207.A OD2 no hydrogen 2.768 N/A LYS 117.A N ASP 207.A O no hydrogen 2.763 N/A LYS 117.A NZ CYS 206.A O no hydrogen 3.009 N/A THR 119.A N LYS 116.A O no hydrogen 3.111 N/A THR 119.A OG1 LYS 116.A O no hydrogen 2.785 N/A ILE 121.A N THR 119.A O no hydrogen 2.797 N/A GLU 122.A N ASP 126.A OD2 no hydrogen 3.008 N/A ASP 126.A N SER 123.A OG no hydrogen 3.034 N/A LEU 127.A N SER 123.A O no hydrogen 3.137 N/A SER 128.A N ALA 124.A O no hydrogen 2.880 N/A SER 128.A OG ALA 124.A O no hydrogen 3.453 N/A SER 128.A OG GLU 125.A O no hydrogen 2.640 N/A LYS 129.A N GLU 125.A O no hydrogen 3.063 N/A LYS 129.A N ASP 126.A O no hydrogen 3.299 N/A LYS 129.A NZ GLU 125.A OE2 no hydrogen 2.916 N/A GLN 130.A N LEU 127.A O no hydrogen 3.246 N/A GLN 130.A NE2 LEU 127.A O no hydrogen 3.123 N/A GLN 130.A NE2 ILE 133.A O no hydrogen 2.779 N/A ILE 133.A N GLN 130.A OE1 no hydrogen 2.717 N/A ALA 134.A N LYS 187.A O no hydrogen 2.972 N/A TYR 135.A N TYR 161.A OH no hydrogen 3.316 N/A GLY 136.A N ALA 189.A O no hydrogen 3.440 N/A THR 137.A OG1 LEU 138.A O no hydrogen 2.874 N/A ASP 139.A N VAL 171.A O no hydrogen 2.678 N/A SER 142.A OG THR 91.A OG1 no hydrogen 3.138 N/A SER 142.A OG GLU 193.A OE2 no hydrogen 3.159 N/A LYS 144.A NZ ASP 139.A O no hydrogen 3.138 N/A LYS 144.A NZ ASP 139.A OD1 no hydrogen 3.040 N/A GLU 145.A N GLY 141.A O no hydrogen 3.078 N/A PHE 146.A N SER 142.A O no hydrogen 2.942 N/A PHE 147.A N THR 143.A O no hydrogen 3.192 N/A ARG 148.A N LYS 144.A O no hydrogen 2.953 N/A ARG 149.A N GLU 145.A O no hydrogen 2.936 N/A SER 150.A N PHE 146.A O no hydrogen 2.908 N/A ILE 152.A N SER 150.A OG no hydrogen 3.142 N/A ASP 156.A N ILE 152.A O no hydrogen 2.878 N/A LYS 157.A N ALA 153.A O no hydrogen 3.033 N/A LYS 157.A NZ SER 128.A O no hydrogen 3.472 N/A MET 158.A N VAL 154.A O no hydrogen 3.130 N/A TRP 159.A N PHE 155.A O no hydrogen 2.873 N/A THR 160.A N ASP 156.A O no hydrogen 2.911 N/A THR 160.A OG1 ASP 156.A O no hydrogen 3.095 N/A TYR 161.A N LYS 157.A O no hydrogen 3.164 N/A MET 162.A N MET 158.A O no hydrogen 2.869 N/A ARG 163.A N TRP 159.A O no hydrogen 2.942 N/A ARG 163.A NH1 ARG 163.A O no hydrogen 3.038 N/A ALA 165.A N MET 162.A O no hydrogen 3.286 N/A PHE 170.A N SER 168.A OG no hydrogen 3.131 N/A VAL 171.A N THR 137.A O no hydrogen 3.179 N/A ARG 172.A N GLU 176.A OE1 no hydrogen 3.112 N/A ARG 172.A NE GLU 176.A OE1 no hydrogen 3.142 N/A THR 174.A OG1 GLU 13.A OE1 no hydrogen 2.845 N/A THR 174.A OG1 GLU 13.A OE2 no hydrogen 3.050 N/A GLU 176.A N THR 173.A OG1 no hydrogen 3.243 N/A GLY 177.A N THR 173.A O no hydrogen 3.177 N/A VAL 178.A N THR 174.A O no hydrogen 2.925 N/A ALA 179.A N ALA 175.A O no hydrogen 2.951 N/A ARG 180.A N GLU 176.A O no hydrogen 3.060 N/A ARG 180.A NH1 SER 168.A O no hydrogen 2.962 N/A ARG 180.A NH2 SER 168.A O no hydrogen 2.900 N/A VAL 181.A N GLY 177.A O no hydrogen 3.105 N/A ARG 182.A N VAL 178.A O no hydrogen 2.991 N/A ARG 182.A NE ASP 207.A OD1 no hydrogen 2.927 N/A LYS 183.A N ALA 179.A O no hydrogen 2.994 N/A SER 184.A OG ARG 180.A O no hydrogen 2.522 N/A LYS 187.A N SER 184.A O no hydrogen 2.835 N/A LYS 187.A NZ GLU 132.A OE2 no hydrogen 2.817 N/A TYR 188.A OH VAL 169.A O no hydrogen 2.680 N/A ALA 189.A N ALA 134.A O no hydrogen 2.949 N/A TYR 190.A N MET 114.A O no hydrogen 2.907 N/A LEU 191.A N GLY 136.A O no hydrogen 2.971 N/A LEU 192.A N SER 112.A O no hydrogen 3.055 N/A SER 194.A N GLY 110.A O no hydrogen 2.747 N/A SER 194.A OG GLY 110.A O no hydrogen 3.350 N/A THR 195.A OG1 TYR 16.A OH no hydrogen 3.118 N/A THR 195.A OG1 TYR 220.A OH no hydrogen 2.660 N/A ASN 197.A N GLU 193.A O no hydrogen 3.135 N/A ASN 197.A ND2 SER 112.A OG no hydrogen 2.944 N/A ASN 197.A ND2 ILE 113.A O no hydrogen 3.019 N/A GLU 198.A N SER 194.A O no hydrogen 2.755 N/A TYR 199.A N THR 195.A O no hydrogen 3.087 N/A ILE 200.A N MET 196.A O no hydrogen 2.941 N/A GLU 201.A N ASN 197.A O no hydrogen 3.010 N/A GLN 202.A N TYR 199.A O no hydrogen 2.998 N/A ARG 203.A N ILE 200.A O no hydrogen 3.114 N/A LYS 204.A N GLU 260.A OE1 no hydrogen 3.107 N/A CYS 206.A N ARG 203.A O no hydrogen 2.888 N/A CYS 206.A SG ARG 203.A O no hydrogen 3.828 N/A CYS 206.A SG GLU 260.A O no hydrogen 3.736 N/A MET 209.A N ILE 115.A O no hydrogen 2.890 N/A LYS 210.A N GLU 201.A OE1 no hydrogen 2.922 N/A LYS 210.A NZ GLY 212.A O no hydrogen 3.519 N/A LYS 210.A NZ ASN 214.A OD1 no hydrogen 2.842 N/A VAL 211.A N ILE 113.A O no hydrogen 3.128 N/A LEU 215.A N ILE 111.A O no hydrogen 2.933 N/A LYS 218.A N LEU 109.A O no hydrogen 2.838 N/A LYS 218.A NZ ASP 216.A OD2 no hydrogen 2.845 N/A TYR 220.A N MET 107.A O no hydrogen 3.048 N/A TYR 220.A OH GLU 193.A OE1 no hydrogen 2.621 N/A TYR 220.A OH THR 195.A OG1 no hydrogen 2.660 N/A GLY 221.A N LEU 90.A O no hydrogen 3.090 N/A ILE 222.A N SER 103.A OG no hydrogen 3.013 N/A ALA 223.A N ALA 86.A O no hydrogen 3.064 N/A THR 224.A N ASP 101.A O no hydrogen 3.058 N/A LYS 226.A NZ GLU 98.A O no hydrogen 2.727 N/A GLY 227.A N ASP 101.A OD2 no hydrogen 2.829 N/A SER 228.A N PRO 225.A O no hydrogen 2.846 N/A LEU 230.A N SER 228.A OG no hydrogen 3.259 N/A GLY 231.A N SER 228.A O no hydrogen 3.276 N/A VAL 234.A N LEU 230.A O no hydrogen 3.110 N/A ASN 235.A N GLY 231.A O no hydrogen 3.023 N/A LEU 236.A N ASN 232.A O no hydrogen 3.144 N/A ALA 237.A N ALA 233.A O no hydrogen 2.940 N/A VAL 238.A N VAL 234.A O no hydrogen 2.907 N/A LEU 239.A N ASN 235.A O no hydrogen 3.107 N/A LYS 240.A N LEU 236.A O no hydrogen 2.957 N/A LEU 241.A N ALA 237.A O no hydrogen 2.979 N/A ASN 242.A N VAL 238.A O no hydrogen 3.021 N/A GLU 243.A N LEU 239.A O no hydrogen 2.955 N/A GLN 244.A N LYS 240.A O no hydrogen 3.001 N/A GLY 245.A N ASN 242.A O no hydrogen 2.952 N/A LEU 246.A N LEU 241.A O no hydrogen 3.009 N/A LYS 249.A N GLY 245.A O no hydrogen 3.283 N/A LEU 250.A N LEU 246.A O no hydrogen 3.042 N/A LYS 251.A N LEU 247.A O no hydrogen 2.959 N/A ASN 252.A N ASP 248.A O no hydrogen 3.083 N/A LYS 253.A N LYS 249.A O no hydrogen 2.863 N/A LYS 253.A NZ ASP 38.A OD2 no hydrogen 2.968 N/A TRP 254.A N LEU 250.A O no hydrogen 3.137 N/A TRP 254.A NE1 ASP 38.A OD2 no hydrogen 2.742 N/A TRP 255.A N LYS 251.A O no hydrogen 2.967 N/A TRP 255.A NE1 THR 195.A O no hydrogen 2.966 N/A TYR 256.A N ASN 252.A O no hydrogen 3.090 N/A ASP 257.A N ASN 252.A O no hydrogen 2.755 N/A GLY 259.A N TYR 256.A O no hydrogen 3.088 N/A GLU 260.A N GLN 202.A O no hydrogen 2.674 N/A CYS 261.A SG GLU 201.A O no hydrogen 3.545 N/A