Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4btk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N GLU 23.A OE1 no hydrogen 2.615 N/A LEU 3.A N TYR 25.A OH no hydrogen 3.265 N/A ASN 6.A N VAL 15.A O no hydrogen 2.727 N/A TYR 7.A N PRO 4.A O no hydrogen 3.285 N/A VAL 9.A N TRP 13.A O no hydrogen 2.807 N/A ARG 12.A N VAL 9.A O no hydrogen 3.058 N/A ARG 12.A NE ASP 29.A OD1 no hydrogen 2.984 N/A ARG 12.A NE ASP 29.A OD2 no hydrogen 3.375 N/A ARG 12.A NH2 ASP 29.A OD2 no hydrogen 3.020 N/A TRP 13.A N VAL 9.A O no hydrogen 2.990 N/A TRP 13.A NE1 ASP 29.A OD2 no hydrogen 3.004 N/A LYS 14.A N MET 28.A O no hydrogen 2.920 N/A VAL 15.A N TYR 7.A O no hydrogen 2.794 N/A LEU 16.A N GLU 26.A O no hydrogen 3.006 N/A LYS 17.A N GLU 26.A O no hydrogen 3.366 N/A LYS 18.A NZ ASP 1.A OD1 no hydrogen 2.732 N/A ILE 19.A N ILE 24.A O no hydrogen 2.752 N/A GLY 20.A N ILE 24.A O no hydrogen 3.416 N/A GLU 23.A N VAL 40.A O no hydrogen 3.155 N/A TYR 25.A N LEU 38.A O no hydrogen 2.709 N/A TYR 25.A OH LEU 3.A O no hydrogen 3.414 N/A TYR 25.A OH GLU 23.A OE1 no hydrogen 2.607 N/A GLU 26.A N LYS 17.A O no hydrogen 2.732 N/A ALA 27.A N VAL 36.A O no hydrogen 2.849 N/A MET 28.A N LYS 14.A O no hydrogen 2.771 N/A ASP 29.A N GLU 34.A O no hydrogen 3.004 N/A LEU 30.A N ARG 12.A O no hydrogen 2.666 N/A LEU 31.A N ASP 29.A OD1 no hydrogen 3.128 N/A THR 32.A N ASP 29.A OD1 no hydrogen 3.017 N/A ARG 33.A N ASP 29.A O no hydrogen 2.903 N/A ARG 33.A NH1 LEU 30.A O no hydrogen 2.990 N/A ASN 35.A ND2 GLU 26.A OE2 no hydrogen 2.643 N/A VAL 36.A N ALA 27.A O no hydrogen 2.753 N/A ALA 37.A N MET 83.A O no hydrogen 2.708 N/A LEU 38.A N TYR 25.A O no hydrogen 2.795 N/A LYS 39.A N VAL 81.A O no hydrogen 3.000 N/A LYS 39.A NZ GLU 53.A OE2 no hydrogen 2.773 N/A VAL 40.A N GLU 23.A O no hydrogen 2.853 N/A GLU 41.A N ASN 79.A O no hydrogen 2.951 N/A ALA 43.A N LYS 77.A O no hydrogen 3.061 N/A GLN 45.A N SER 42.A O no hydrogen 3.363 N/A GLN 48.A NE2 SER 42.A O no hydrogen 3.225 N/A GLN 48.A NE2 GLN 45.A O no hydrogen 3.399 N/A VAL 49.A N GLU 41.A OE2 no hydrogen 2.661 N/A LEU 50.A N GLU 41.A OE2 no hydrogen 2.965 N/A MET 52.A N VAL 49.A O no hydrogen 2.961 N/A GLU 53.A N VAL 49.A O no hydrogen 3.142 N/A VAL 54.A N LEU 50.A O no hydrogen 2.932 N/A ALA 55.A N LYS 51.A O no hydrogen 3.322 N/A VAL 56.A N MET 52.A O no hydrogen 2.967 N/A LEU 57.A N GLU 53.A O no hydrogen 2.890 N/A LYS 58.A N VAL 54.A O no hydrogen 2.791 N/A LYS 59.A N ALA 55.A O no hydrogen 2.962 N/A LYS 59.A NZ VAL 124.A O no hydrogen 3.245 N/A LEU 60.A N VAL 56.A O no hydrogen 3.094 N/A LEU 60.A N LEU 57.A O no hydrogen 3.307 N/A GLN 61.A N LYS 58.A O no hydrogen 3.358 N/A LYS 63.A N LEU 60.A O no hydrogen 3.062 N/A HIS 65.A N ASP 64.A OD1 no hydrogen 2.880 N/A HIS 65.A ND1 CYS 148.A O no hydrogen 2.563 N/A HIS 65.A NE2 GLU 116.A OE1 no hydrogen 2.734 N/A CYS 67.A SG GLN 84.A O no hydrogen 3.365 N/A ARG 68.A N GLN 84.A OE1 no hydrogen 3.090 N/A ILE 70.A N VAL 82.A O no hydrogen 2.984 N/A GLY 71.A N VAL 82.A O no hydrogen 3.142 N/A GLY 73.A N TYR 80.A O no hydrogen 3.030 N/A ASN 75.A N PHE 78.A O no hydrogen 2.929 N/A LYS 77.A N ASN 75.A OD1 no hydrogen 2.792 N/A PHE 78.A N ASN 75.A OD1 no hydrogen 3.075 N/A ASN 79.A N GLU 41.A O no hydrogen 2.709 N/A ASN 79.A ND2 GLU 41.A OE1 no hydrogen 3.546 N/A ASN 79.A ND2 GLN 48.A OE1 no hydrogen 3.275 N/A TYR 80.A N GLY 73.A O no hydrogen 2.817 N/A VAL 81.A N LYS 39.A O no hydrogen 2.824 N/A VAL 82.A N GLY 71.A O no hydrogen 2.547 N/A MET 83.A N ALA 37.A O no hydrogen 2.881 N/A GLN 84.A N ARG 68.A O no hydrogen 2.950 N/A GLY 87.A N MET 138.A O no hydrogen 2.862 N/A LEU 90.A N PHE 136.A O no hydrogen 2.967 N/A ASP 92.A N ASN 89.A OD1 no hydrogen 3.128 N/A LEU 93.A N ASN 89.A O no hydrogen 3.100 N/A ARG 94.A N LEU 90.A O no hydrogen 3.036 N/A ARG 94.A NH1 GLY 100.A O no hydrogen 2.652 N/A ARG 95.A N ALA 91.A O no hydrogen 3.123 N/A SER 96.A N ASP 92.A O no hydrogen 3.044 N/A SER 96.A OG ASP 92.A O no hydrogen 3.195 N/A GLN 97.A N ARG 94.A O no hydrogen 3.094 N/A GLY 100.A N GLN 97.A O no hydrogen 2.999 N/A PHE 102.A N PHE 208.A O no hydrogen 2.766 N/A THR 103.A N ASP 285.A OD2 no hydrogen 2.629 N/A THR 103.A OG1 ASP 285.A OD1 no hydrogen 2.650 N/A THR 103.A OG1 ASP 285.A OD2 no hydrogen 3.321 N/A SER 105.A OG GLU 282.A OE2 no hydrogen 2.877 N/A THR 106.A OG1 ASP 285.A OD1 no hydrogen 2.714 N/A THR 107.A N THR 103.A O no hydrogen 3.139 N/A THR 107.A OG1 THR 103.A O no hydrogen 2.825 N/A LEU 108.A N LEU 104.A O no hydrogen 2.923 N/A ARG 109.A N SER 105.A O no hydrogen 3.209 N/A ARG 109.A NE SER 105.A O no hydrogen 3.110 N/A ARG 109.A NE SER 105.A OG no hydrogen 3.253 N/A ARG 109.A NH2 SER 105.A OG no hydrogen 2.881 N/A ARG 109.A NH2 ALA 283.A O no hydrogen 3.068 N/A LEU 110.A N THR 106.A O no hydrogen 2.775 N/A GLY 111.A N THR 107.A O no hydrogen 2.956 N/A LYS 112.A N LEU 108.A O no hydrogen 3.098 N/A LYS 112.A NZ GLU 270.A OE2 no hydrogen 2.816 N/A LYS 112.A NZ GLU 280.A OE2 no hydrogen 3.154 N/A GLN 113.A N ARG 109.A O no hydrogen 3.390 N/A GLN 113.A NE2 ARG 146.A O no hydrogen 3.192 N/A ILE 114.A N LEU 110.A O no hydrogen 2.926 N/A LEU 115.A N GLY 111.A O no hydrogen 2.959 N/A GLU 116.A N LYS 112.A O no hydrogen 3.134 N/A SER 117.A N GLN 113.A O no hydrogen 3.209 N/A ILE 118.A N ILE 114.A O no hydrogen 2.818 N/A GLU 119.A N LEU 115.A O no hydrogen 2.805 N/A ALA 120.A N GLU 116.A O no hydrogen 2.939 N/A ILE 121.A N SER 117.A O no hydrogen 3.099 N/A HIS 122.A N ILE 118.A O no hydrogen 3.116 N/A HIS 122.A ND1 TYR 262.A OH no hydrogen 2.724 N/A HIS 122.A NE2 ASP 197.A OD2 no hydrogen 2.611 N/A SER 123.A N GLU 119.A O no hydrogen 2.828 N/A SER 123.A OG ALA 120.A O no hydrogen 2.720 N/A VAL 124.A N ALA 120.A O no hydrogen 3.295 N/A VAL 124.A N ILE 121.A O no hydrogen 3.258 N/A GLY 125.A N HIS 122.A O no hydrogen 3.092 N/A PHE 126.A N ILE 121.A O no hydrogen 3.098 N/A LEU 127.A N ARG 157.A O no hydrogen 2.849 N/A HIS 128.A N ASP 197.A OD2 no hydrogen 3.048 N/A HIS 128.A NE2 LEU 151.A O no hydrogen 2.938 N/A ARG 129.A N ASP 197.A OD1 no hydrogen 2.944 N/A ARG 129.A NE LEU 155.A O no hydrogen 2.757 N/A ARG 129.A NH2 LEU 155.A O no hydrogen 2.806 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.047 N/A ASN 135.A N LYS 132.A O no hydrogen 3.091 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.867 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 2.919 N/A PHE 136.A N PRO 133.A O no hydrogen 3.203 N/A ALA 137.A N TYR 149.A O no hydrogen 3.050 N/A MET 138.A N ARG 88.A O no hydrogen 2.803 N/A GLY 139.A N LYS 147.A O no hydrogen 3.107 N/A LEU 141.A N THR 144.A OG1 no hydrogen 3.199 N/A THR 144.A N LEU 141.A O no hydrogen 2.799 N/A THR 144.A OG1 LEU 141.A O no hydrogen 3.454 N/A TYR 145.A N LEU 141.A O no hydrogen 2.837 N/A ARG 146.A NH1 GLU 282.A O no hydrogen 2.865 N/A ARG 146.A NH1 GLU 287.A OE1 no hydrogen 3.057 N/A ARG 146.A NH2 GLU 282.A O no hydrogen 2.630 N/A LYS 147.A N THR 144.A O no hydrogen 2.879 N/A CYS 148.A N GLN 113.A OE1 no hydrogen 2.772 N/A TYR 149.A N ALA 137.A O no hydrogen 2.802 N/A MET 150.A N HIS 65.A O no hydrogen 2.795 N/A LEU 151.A N ASN 135.A O no hydrogen 2.802 N/A PHE 153.A N GLU 53.A OE1 no hydrogen 3.074 N/A GLY 154.A N ASP 152.A OD1 no hydrogen 3.052 N/A ALA 156.A N PHE 153.A O no hydrogen 3.170 N/A ARG 157.A N LEU 127.A O no hydrogen 3.121 N/A GLN 158.A NE2 THR 160.A O no hydrogen 3.318 N/A TYR 159.A N GLY 125.A O no hydrogen 2.831 N/A TYR 159.A OH HIS 122.A O no hydrogen 2.565 N/A THR 160.A OG1 ASN 161.A O no hydrogen 3.314 N/A ASN 161.A N ASP 165.A O no hydrogen 3.154 N/A ASN 161.A ND2 ASP 165.A OD2 no hydrogen 2.742 N/A THR 163.A OG1 ASN 161.A OD1 no hydrogen 3.393 N/A THR 163.A OG1 ASP 165.A OD2 no hydrogen 2.934 N/A ASP 165.A N ASN 161.A OD1 no hydrogen 2.712 N/A ARG 167.A N TYR 159.A O no hydrogen 2.852 N/A ARG 167.A NH1 GLN 158.A O no hydrogen 2.879 N/A ARG 170.A N GLU 191.A OE1 no hydrogen 2.712 N/A ARG 170.A NE GLU 191.A OE1 no hydrogen 2.745 N/A ARG 170.A NH2 GLU 191.A OE2 no hydrogen 2.762 N/A ALA 173.A N ASN 189.A O no hydrogen 2.885 N/A PHE 175.A N ASN 189.A OD1 no hydrogen 3.017 N/A ARG 180.A NH1 TYR 181.A OH no hydrogen 3.354 N/A ARG 180.A NH1 GLU 207.A OE2 no hydrogen 3.152 N/A TYR 181.A OH GLU 207.A OE1 no hydrogen 2.524 N/A TYR 181.A OH GLU 207.A OE2 no hydrogen 3.265 N/A ALA 182.A N VAL 179.A O no hydrogen 3.343 N/A SER 183.A OG ASP 196.A OD1 no hydrogen 2.640 N/A ASN 185.A ND2 ASP 196.A OD1 no hydrogen 2.880 N/A ALA 186.A N SER 183.A OG no hydrogen 3.231 N/A HIS 187.A N SER 183.A O no hydrogen 3.135 N/A LYS 188.A N VAL 184.A O no hydrogen 2.836 N/A LYS 188.A NZ GLU 229.A OE2 no hydrogen 3.234 N/A ASN 189.A N ALA 186.A O no hydrogen 2.990 N/A ARG 190.A N ASN 185.A O no hydrogen 3.222 N/A GLY 193.A N ASP 196.A OD2 no hydrogen 2.805 N/A ARG 194.A NH2 PHE 257.A O no hydrogen 3.157 N/A ASP 196.A N GLY 193.A O no hydrogen 2.984 N/A ASP 197.A N ARG 194.A O no hydrogen 3.188 N/A LEU 198.A N ARG 194.A O no hydrogen 3.399 N/A TRP 199.A N HIS 195.A O no hydrogen 2.817 N/A SER 200.A N ASP 196.A O no hydrogen 3.204 N/A SER 200.A OG TYR 181.A O no hydrogen 2.849 N/A SER 200.A OG ASP 196.A O no hydrogen 3.250 N/A LEU 201.A N ASP 197.A O no hydrogen 3.193 N/A PHE 202.A N LEU 198.A O no hydrogen 2.984 N/A TYR 203.A N TRP 199.A O no hydrogen 2.997 N/A TYR 203.A OH HIS 233.A NE2 no hydrogen 2.669 N/A MET 204.A N SER 200.A O no hydrogen 2.900 N/A LEU 205.A N LEU 201.A O no hydrogen 2.940 N/A VAL 206.A N PHE 202.A O no hydrogen 3.139 N/A GLU 207.A N TYR 203.A O no hydrogen 3.059 N/A PHE 208.A N MET 204.A O no hydrogen 2.878 N/A ALA 209.A N LEU 205.A O no hydrogen 3.197 N/A VAL 210.A N VAL 206.A O no hydrogen 2.853 N/A GLY 211.A N GLU 207.A O no hydrogen 2.623 N/A TRP 215.A NE1 ARG 180.A O no hydrogen 2.919 N/A ARG 216.A N LEU 213.A O no hydrogen 3.242 N/A ILE 218.A N TRP 215.A O no hydrogen 3.145 N/A LYS 221.A NZ PHE 175.A O no hydrogen 3.530 N/A GLN 223.A N ASP 220.A OD2 no hydrogen 2.978 N/A VAL 224.A N ASP 220.A O no hydrogen 3.211 N/A GLY 225.A N LYS 221.A O no hydrogen 3.195 N/A MET 226.A N GLU 222.A O no hydrogen 3.141 N/A ILE 227.A N GLN 223.A O no hydrogen 3.007 N/A LYS 228.A N VAL 224.A O no hydrogen 2.973 N/A LYS 228.A NZ VAL 179.A O no hydrogen 2.668 N/A LYS 228.A NZ ARG 180.A O no hydrogen 3.366 N/A LYS 228.A NZ ALA 182.A O no hydrogen 2.827 N/A LYS 228.A NZ HIS 187.A NE2 no hydrogen 2.865 N/A GLU 229.A N GLY 225.A O no hydrogen 3.062 N/A LYS 230.A N MET 226.A O no hydrogen 3.334 N/A TYR 231.A N ILE 227.A O no hydrogen 2.801 N/A HIS 233.A ND1 TYR 231.A O no hydrogen 3.103 N/A HIS 233.A NE2 TYR 203.A OH no hydrogen 2.669 N/A ARG 234.A N GLU 232.A OE2 no hydrogen 3.323 N/A ARG 234.A NE HIS 245.A ND1 no hydrogen 2.864 N/A MET 235.A N GLU 232.A O no hydrogen 2.917 N/A LEU 236.A N HIS 233.A O no hydrogen 3.145 N/A LEU 237.A N ARG 234.A O no hydrogen 3.010 N/A LYS 238.A NZ HIS 239.A NE2 no hydrogen 3.196 N/A MET 240.A N LEU 237.A O no hydrogen 3.241 N/A SER 242.A OG GLU 243.A OE2 no hydrogen 3.240 N/A PHE 244.A N PRO 241.A O no hydrogen 3.355 N/A HIS 245.A N SER 242.A O no hydrogen 3.361 N/A LEU 246.A N GLU 243.A O no hydrogen 2.749 N/A LEU 248.A N PHE 244.A O no hydrogen 2.797 N/A ASP 249.A N HIS 245.A O no hydrogen 2.872 N/A HIS 250.A N LEU 246.A O no hydrogen 2.862 N/A ILE 251.A N PHE 247.A O no hydrogen 3.078 N/A ALA 252.A N LEU 248.A O no hydrogen 3.006 N/A SER 253.A N ASP 249.A O no hydrogen 3.228 N/A SER 253.A N HIS 250.A O no hydrogen 3.181 N/A SER 253.A OG HIS 250.A O no hydrogen 2.656 N/A LEU 254.A N ILE 251.A O no hydrogen 3.288 N/A TYR 256.A OH ARG 167.A O no hydrogen 2.706 N/A THR 258.A N ASP 255.A OD1 no hydrogen 3.019 N/A THR 258.A OG1 ASP 255.A OD1 no hydrogen 2.767 N/A LYS 259.A NZ PRO 260.A O no hydrogen 2.910 N/A ASP 261.A N HIS 250.A NE2 no hydrogen 2.883 N/A TYR 262.A OH HIS 122.A ND1 no hydrogen 2.724 N/A LEU 264.A N ASP 261.A OD1 no hydrogen 2.921 N/A ILE 265.A N ASP 261.A O no hydrogen 3.361 N/A MET 266.A N TYR 262.A O no hydrogen 2.858 N/A SER 267.A N GLN 263.A O no hydrogen 2.886 N/A SER 267.A OG GLN 263.A O no hydrogen 2.936 N/A SER 267.A OG GLN 263.A OE1 no hydrogen 3.160 N/A VAL 268.A N LEU 264.A O no hydrogen 3.119 N/A PHE 269.A N ILE 265.A O no hydrogen 3.300 N/A GLU 270.A N MET 266.A O no hydrogen 2.875 N/A ASN 271.A N SER 267.A O no hydrogen 2.710 N/A SER 272.A N VAL 268.A O no hydrogen 3.188 N/A SER 272.A OG VAL 268.A O no hydrogen 2.586 N/A MET 273.A N PHE 269.A O no hydrogen 3.068 N/A LYS 274.A N GLU 270.A O no hydrogen 3.023 N/A GLU 275.A N ASN 271.A O no hydrogen 2.946 N/A ARG 276.A N MET 273.A O no hydrogen 2.959 N/A ARG 276.A NH1 SER 272.A O no hydrogen 2.982 N/A GLY 277.A N LYS 274.A O no hydrogen 3.415 N/A ILE 278.A N MET 273.A O no hydrogen 3.011 N/A ALA 279.A N GLU 282.A OE1 no hydrogen 2.912 N/A GLU 282.A N ALA 279.A O no hydrogen 3.188 N/A PHE 284.A N GLU 287.A OE1 no hydrogen 3.371 N/A ASP 285.A N THR 106.A OG1 no hydrogen 3.135 N/A GLU 287.A N PHE 284.A O no hydrogen 2.982 N/A