Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2b52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N MET 1.A O no hydrogen 3.217 N/A VAL 7.A N LYS 20.A O no hydrogen 2.739 N/A GLU 8.A N LYS 20.A O no hydrogen 3.086 N/A LYS 9.A NZ TYR 19.A OH no hydrogen 3.552 N/A GLY 11.A N VAL 18.A O no hydrogen 2.852 N/A GLY 13.A N GLY 16.A O no hydrogen 2.750 N/A THR 14.A OG1 ASP 141.A OD1 no hydrogen 3.025 N/A THR 14.A OG1 ASP 141.A OD2 no hydrogen 3.022 N/A VAL 18.A N GLY 11.A O no hydrogen 2.802 N/A TYR 19.A N LEU 32.A O no hydrogen 2.922 N/A LYS 20.A N GLU 8.A O no hydrogen 2.605 N/A ALA 21.A N VAL 30.A O no hydrogen 3.015 N/A ARG 22.A N GLN 5.A O no hydrogen 3.183 N/A ASN 23.A N GLU 28.A O no hydrogen 2.702 N/A LYS 24.A N ASN 3.A O no hydrogen 2.668 N/A LYS 24.A NZ GLU 2.A O no hydrogen 2.890 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.646 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.800 N/A VAL 30.A N ALA 21.A O no hydrogen 2.846 N/A ALA 31.A N PHE 76.A O no hydrogen 2.848 N/A LEU 32.A N TYR 19.A O no hydrogen 2.877 N/A LYS 33.A N LEU 74.A O no hydrogen 2.763 N/A LYS 33.A NZ ASP 141.A OD1 no hydrogen 2.898 N/A LYS 34.A N VAL 17.A O no hydrogen 2.955 N/A ILE 35.A N LEU 72.A O no hydrogen 2.677 N/A THR 37.A OG1 ASN 70.A O no hydrogen 2.561 N/A ILE 45.A N PRO 41.A O no hydrogen 3.263 N/A GLU 47.A N THR 43.A O no hydrogen 3.192 N/A GLU 47.A N ALA 44.A O no hydrogen 2.949 N/A ILE 48.A N ALA 44.A O no hydrogen 3.041 N/A LEU 50.A N GLU 47.A O no hydrogen 3.232 N/A LYS 52.A NZ LYS 52.A O no hydrogen 3.283 N/A GLU 53.A N LEU 50.A O no hydrogen 2.696 N/A LEU 54.A N LEU 51.A O no hydrogen 2.947 N/A ASN 55.A N GLU 53.A O no hydrogen 2.886 N/A ASN 55.A ND2 LYS 52.A O no hydrogen 3.154 N/A ASN 58.A ND2 GLN 106.A OE1 no hydrogen 3.146 N/A ASN 58.A ND2 ILE 137.A O no hydrogen 3.090 N/A ILE 59.A N HIS 56.A O no hydrogen 3.024 N/A VAL 60.A N LEU 139.A O no hydrogen 3.020 N/A LYS 61.A N GLU 77.A OE2 no hydrogen 3.050 N/A LYS 61.A NZ ASN 55.A OD1 no hydrogen 3.508 N/A LEU 63.A N VAL 75.A O no hydrogen 2.780 N/A ASP 64.A N VAL 75.A O no hydrogen 3.253 N/A ILE 66.A N TYR 73.A O no hydrogen 2.903 N/A LYS 71.A N THR 68.A O no hydrogen 2.873 N/A LYS 71.A NZ ILE 35.A O no hydrogen 2.944 N/A TYR 73.A N ILE 66.A O no hydrogen 2.659 N/A LEU 74.A N LYS 33.A O no hydrogen 2.853 N/A VAL 75.A N ASP 64.A O no hydrogen 3.248 N/A PHE 76.A N ALA 31.A O no hydrogen 2.810 N/A GLU 77.A N LYS 61.A O no hydrogen 2.937 N/A LEU 83.A N LEU 129.A O no hydrogen 2.832 N/A LYS 85.A N ASP 82.A OD1 no hydrogen 2.665 N/A PHE 86.A N ASP 82.A O no hydrogen 3.053 N/A MET 87.A N LEU 83.A O no hydrogen 2.811 N/A ASP 88.A N LYS 84.A O no hydrogen 3.036 N/A ALA 89.A N LYS 85.A O no hydrogen 2.948 N/A SER 90.A N MET 87.A O no hydrogen 2.853 N/A SER 90.A OG PHE 86.A O no hydrogen 2.999 N/A ALA 91.A N ASP 88.A O no hydrogen 3.475 N/A GLY 94.A N SER 90.A O no hydrogen 2.385 N/A LEU 99.A N PRO 96.A O no hydrogen 2.719 N/A ILE 100.A N PRO 96.A O no hydrogen 3.077 N/A LYS 101.A N LEU 97.A O no hydrogen 2.726 N/A LYS 101.A NZ PHE 270.A O no hydrogen 3.237 N/A LYS 101.A NZ ASP 273.A OD1 no hydrogen 2.967 N/A LYS 101.A NZ ASP 273.A OD2 no hydrogen 3.362 N/A SER 102.A N PRO 98.A O no hydrogen 3.016 N/A TYR 103.A N LEU 99.A O no hydrogen 2.917 N/A LEU 104.A N ILE 100.A O no hydrogen 3.112 N/A PHE 105.A N LYS 101.A O no hydrogen 3.032 N/A GLN 106.A N SER 102.A O no hydrogen 2.953 N/A GLN 106.A NE2 SER 102.A O no hydrogen 3.546 N/A GLN 106.A NE2 SER 102.A OG no hydrogen 3.009 N/A GLN 106.A NE2 GLY 135.A O no hydrogen 3.133 N/A LEU 107.A N TYR 103.A O no hydrogen 2.912 N/A LEU 108.A N LEU 104.A O no hydrogen 2.925 N/A GLN 109.A N PHE 105.A O no hydrogen 3.029 N/A GLN 109.A NE2 ASN 58.A OD1 no hydrogen 3.402 N/A GLY 110.A N GLN 106.A O no hydrogen 2.910 N/A LEU 111.A N LEU 107.A O no hydrogen 2.834 N/A ALA 112.A N LEU 108.A O no hydrogen 2.813 N/A PHE 113.A N GLN 109.A O no hydrogen 3.008 N/A CYS 114.A N GLY 110.A O no hydrogen 2.938 N/A CYS 114.A SG GLY 110.A O no hydrogen 3.512 N/A HIS 115.A N LEU 111.A O no hydrogen 2.757 N/A HIS 115.A NE2 ASP 170.A OD2 no hydrogen 2.758 N/A SER 116.A N ALA 112.A O no hydrogen 2.990 N/A SER 116.A OG ALA 112.A O no hydrogen 3.350 N/A SER 116.A OG PHE 113.A O no hydrogen 2.812 N/A SER 116.A OG HIS 117.A ND1 no hydrogen 3.190 N/A HIS 117.A N CYS 114.A O no hydrogen 2.713 N/A HIS 117.A ND1 PHE 113.A O no hydrogen 3.022 N/A HIS 117.A ND1 SER 116.A OG no hydrogen 3.190 N/A ARG 118.A N HIS 115.A O no hydrogen 3.062 N/A VAL 119.A N CYS 114.A O no hydrogen 3.081 N/A HIS 121.A N ASP 170.A OD2 no hydrogen 2.935 N/A HIS 121.A NE2 ALA 140.A O no hydrogen 2.637 N/A ARG 122.A N ASP 170.A OD1 no hydrogen 2.868 N/A ARG 122.A NH1 TYR 165.A OH no hydrogen 2.983 N/A ASP 123.A N HIS 121.A ND1 no hydrogen 3.135 N/A LYS 125.A NZ ASP 123.A OD2 no hydrogen 3.112 N/A ASN 128.A N LYS 125.A O no hydrogen 2.783 N/A ASN 128.A ND2 ASP 123.A O no hydrogen 2.576 N/A LEU 129.A N PRO 126.A O no hydrogen 3.061 N/A LEU 130.A N LYS 138.A O no hydrogen 2.873 N/A ILE 131.A N GLN 81.A O no hydrogen 2.744 N/A ASN 132.A N ALA 136.A O no hydrogen 3.193 N/A GLY 135.A N ASN 132.A O no hydrogen 3.102 N/A ALA 136.A N ASN 132.A OD1 no hydrogen 2.916 N/A ILE 137.A N GLN 106.A OE1 no hydrogen 3.138 N/A LYS 138.A N LEU 130.A O no hydrogen 2.660 N/A LYS 138.A NZ GLU 77.A OE1 no hydrogen 3.421 N/A LYS 138.A NZ GLU 77.A OE2 no hydrogen 2.802 N/A LEU 139.A N ASN 58.A O no hydrogen 2.864 N/A ALA 140.A N ASN 128.A O no hydrogen 2.954 N/A GLY 143.A N HIS 121.A O no hydrogen 2.793 N/A TYR 153.A OH GLU 180.A OE1 no hydrogen 2.636 N/A ARG 154.A N LEU 151.A O no hydrogen 2.820 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 2.765 N/A ILE 158.A N ALA 155.A O no hydrogen 3.133 N/A LEU 159.A N ALA 155.A O no hydrogen 3.276 N/A LEU 160.A N PRO 156.A O no hydrogen 2.947 N/A GLY 161.A N ILE 158.A O no hydrogen 3.229 N/A CYS 162.A N GLU 157.A O no hydrogen 2.958 N/A ALA 168.A N SER 166.A OG no hydrogen 3.191 N/A VAL 169.A N SER 166.A O no hydrogen 3.161 N/A ASP 170.A N THR 167.A O no hydrogen 3.181 N/A TRP 172.A N ALA 168.A O no hydrogen 3.074 N/A SER 173.A N VAL 169.A O no hydrogen 3.210 N/A SER 173.A OG TYR 153.A O no hydrogen 2.688 N/A SER 173.A OG VAL 169.A O no hydrogen 3.187 N/A LEU 174.A N ASP 170.A O no hydrogen 2.846 N/A GLY 175.A N ILE 171.A O no hydrogen 2.875 N/A CYS 176.A N TRP 172.A O no hydrogen 2.980 N/A CYS 176.A SG TRP 172.A O no hydrogen 3.515 N/A ILE 177.A N SER 173.A O no hydrogen 3.049 N/A PHE 178.A N LEU 174.A O no hydrogen 2.801 N/A ALA 179.A N GLY 175.A O no hydrogen 3.123 N/A GLU 180.A N CYS 176.A O no hydrogen 3.103 N/A MET 181.A N ILE 177.A O no hydrogen 3.022 N/A MET 181.A N PHE 178.A O no hydrogen 3.060 N/A VAL 182.A N PHE 178.A O no hydrogen 3.222 N/A THR 183.A N ALA 179.A O no hydrogen 2.909 N/A THR 183.A OG1 ALA 179.A O no hydrogen 3.258 N/A ARG 184.A N GLU 180.A O no hydrogen 2.768 N/A ARG 184.A NE ALA 91.A O no hydrogen 3.352 N/A ARG 184.A NH2 ALA 91.A O no hydrogen 2.920 N/A GLY 190.A N PHE 188.A O no hydrogen 2.966 N/A GLY 190.A N GLN 196.A OE1 no hydrogen 2.799 N/A ASP 191.A N ASP 195.A OD2 no hydrogen 2.786 N/A ASP 195.A N SER 192.A OG no hydrogen 3.063 N/A GLN 196.A N SER 192.A O no hydrogen 2.612 N/A GLN 196.A NE2 PHE 188.A O no hydrogen 3.010 N/A LEU 197.A N GLU 193.A O no hydrogen 2.874 N/A PHE 198.A N ILE 194.A O no hydrogen 2.979 N/A ARG 199.A N ASP 195.A O no hydrogen 2.991 N/A ARG 199.A NH1 ASP 195.A OD2 no hydrogen 3.498 N/A ILE 200.A N GLN 196.A O no hydrogen 3.208 N/A PHE 201.A N LEU 197.A O no hydrogen 2.928 N/A ARG 202.A N PHE 198.A O no hydrogen 2.873 N/A THR 203.A N ILE 200.A O no hydrogen 3.133 N/A THR 203.A OG1 ARG 199.A O no hydrogen 3.293 N/A LEU 204.A N ILE 200.A O no hydrogen 2.953 N/A THR 206.A N TRP 228.A O no hydrogen 2.978 N/A THR 206.A OG1 PRO 226.A O no hydrogen 2.614 N/A VAL 210.A N ASP 208.A OD1 no hydrogen 2.945 N/A VAL 211.A N ASP 208.A OD1 no hydrogen 3.118 N/A TRP 212.A N ASP 208.A O no hydrogen 2.794 N/A GLY 214.A N GLU 209.A OE1 no hydrogen 2.639 N/A VAL 215.A N TRP 212.A O no hydrogen 2.990 N/A THR 216.A N GLU 209.A OE2 no hydrogen 2.765 N/A THR 216.A OG1 GLU 209.A OE2 no hydrogen 2.587 N/A SER 217.A N GLY 214.A O no hydrogen 3.001 N/A MET 218.A N VAL 215.A O no hydrogen 3.100 N/A ASP 220.A N LEU 160.A O no hydrogen 2.819 N/A TYR 221.A N MET 218.A O no hydrogen 3.236 N/A PHE 225.A N LYS 222.A O no hydrogen 2.856 N/A LYS 227.A NZ THR 206.A O no hydrogen 3.033 N/A TRP 228.A N THR 206.A OG1 no hydrogen 3.130 N/A ARG 230.A NH1 GLN 231.A O no hydrogen 3.435 N/A GLN 231.A N THR 203.A O no hydrogen 2.920 N/A SER 234.A N ASP 232.A OD1 no hydrogen 3.439 N/A LYS 235.A N ASP 232.A O no hydrogen 3.181 N/A VAL 236.A N ASP 232.A O no hydrogen 3.217 N/A VAL 237.A N PHE 233.A O no hydrogen 2.901 N/A LEU 240.A N VAL 237.A O no hydrogen 2.997 N/A GLY 244.A N ASP 241.A OD1 no hydrogen 2.821 N/A ARG 245.A N ASP 241.A O no hydrogen 2.866 N/A ARG 245.A NE LEU 240.A O no hydrogen 2.899 N/A ARG 245.A NH2 LEU 240.A O no hydrogen 2.845 N/A SER 246.A N GLU 242.A O no hydrogen 2.678 N/A SER 246.A OG HIS 268.A NE2 no hydrogen 3.281 N/A LEU 247.A N ASP 243.A O no hydrogen 3.027 N/A LEU 248.A N GLY 244.A O no hydrogen 2.862 N/A SER 249.A N ARG 245.A O no hydrogen 2.957 N/A SER 249.A OG SER 246.A O no hydrogen 2.859 N/A GLN 250.A N SER 246.A O no hydrogen 3.254 N/A MET 251.A N LEU 247.A O no hydrogen 3.105 N/A MET 251.A N LEU 248.A O no hydrogen 2.960 N/A LEU 252.A N LEU 248.A O no hydrogen 2.981 N/A LEU 252.A N SER 249.A O no hydrogen 3.268 N/A TYR 254.A OH GLY 205.A O no hydrogen 2.540 N/A ASN 257.A N ASP 255.A OD1 no hydrogen 2.907 N/A LYS 258.A N ASP 255.A O no hydrogen 2.656 N/A LYS 258.A NZ VAL 211.A O no hydrogen 3.177 N/A LYS 258.A NZ ASP 255.A OD2 no hydrogen 3.144 N/A ARG 259.A N ASP 255.A O no hydrogen 2.990 N/A ARG 259.A NE HIS 253.A O no hydrogen 2.823 N/A ARG 259.A NH1 GLU 157.A OE1 no hydrogen 3.538 N/A ARG 259.A NH1 GLU 157.A OE2 no hydrogen 2.823 N/A ARG 259.A NH1 ALA 168.A O no hydrogen 3.030 N/A ARG 259.A NH2 GLU 157.A OE1 no hydrogen 2.845 N/A ARG 259.A NH2 GLU 157.A OE2 no hydrogen 3.397 N/A ARG 259.A NH2 HIS 253.A O no hydrogen 3.051 N/A ARG 259.A NH2 TYR 254.A O no hydrogen 3.080 N/A ILE 260.A N GLN 250.A O no hydrogen 3.043 N/A ALA 264.A N SER 261.A OG no hydrogen 3.147 N/A ALA 265.A N SER 261.A O no hydrogen 2.907 N/A LEU 266.A N ALA 262.A O no hydrogen 3.187 N/A ALA 267.A N ALA 264.A O no hydrogen 3.051 N/A HIS 268.A N ALA 265.A O no hydrogen 3.018 N/A HIS 268.A NE2 SER 246.A OG no hydrogen 3.281 N/A PHE 270.A N HIS 268.A ND1 no hydrogen 2.995 N/A PHE 271.A N HIS 268.A O no hydrogen 2.928 N/A GLN 272.A N PRO 269.A O no hydrogen 3.098 N/A ARG 282.A NE LEU 283.A OXT no hydrogen 3.325 N/A ARG 282.A NH2 LEU 283.A OXT no hydrogen 3.341 N/A