Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1p2a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N MET 1.A O no hydrogen 2.990 N/A GLN 5.A N ARG 19.A O no hydrogen 3.099 N/A VAL 7.A N LYS 17.A O no hydrogen 2.683 N/A GLU 8.A N LYS 17.A O no hydrogen 3.439 N/A LYS 9.A NZ TYR 16.A OH no hydrogen 3.180 N/A ILE 10.A N VAL 15.A O no hydrogen 2.792 N/A GLY 11.A N VAL 15.A O no hydrogen 3.215 N/A VAL 14.A N LYS 31.A O no hydrogen 3.252 N/A VAL 15.A N GLY 11.A O no hydrogen 2.845 N/A TYR 16.A N LEU 29.A O no hydrogen 2.760 N/A LYS 17.A N GLU 8.A O no hydrogen 2.770 N/A ALA 18.A N VAL 27.A O no hydrogen 2.779 N/A ARG 19.A N GLN 5.A O no hydrogen 2.787 N/A ARG 19.A NE GLN 5.A OE1 no hydrogen 3.511 N/A ASN 20.A N GLU 25.A O no hydrogen 2.856 N/A LYS 21.A N ASN 3.A O no hydrogen 2.674 N/A LYS 21.A NZ GLU 2.A O no hydrogen 3.482 N/A LEU 22.A N ASN 20.A OD1 no hydrogen 2.738 N/A THR 23.A N ASN 20.A OD1 no hydrogen 2.685 N/A GLY 24.A N ASN 20.A O no hydrogen 2.617 N/A GLU 25.A N THR 23.A OG1 no hydrogen 3.223 N/A VAL 26.A N GLU 25.A OE2 no hydrogen 2.786 N/A VAL 27.A N ALA 18.A O no hydrogen 2.818 N/A ALA 28.A N PHE 67.A O no hydrogen 3.018 N/A LEU 29.A N TYR 16.A O no hydrogen 2.629 N/A LYS 30.A N LEU 65.A O no hydrogen 2.815 N/A LYS 30.A NZ ASP 132.A OD1 no hydrogen 3.527 N/A LYS 31.A N VAL 14.A O no hydrogen 2.808 N/A LYS 31.A NZ TYR 64.A OH no hydrogen 3.013 N/A ILE 32.A N LEU 63.A O no hydrogen 2.820 N/A SER 40.A N ARG 37.A O no hydrogen 2.659 N/A SER 40.A OG ARG 37.A O no hydrogen 2.262 N/A LEU 41.A N ARG 37.A O no hydrogen 3.404 N/A LEU 42.A N GLU 38.A O no hydrogen 3.302 N/A LYS 43.A N ILE 39.A O no hydrogen 3.009 N/A GLU 44.A N LEU 41.A O no hydrogen 2.796 N/A LEU 45.A N LEU 41.A O no hydrogen 3.122 N/A LEU 45.A N LEU 42.A O no hydrogen 3.020 N/A ASN 46.A N GLU 44.A O no hydrogen 2.762 N/A ASN 46.A ND2 LYS 43.A O no hydrogen 3.184 N/A ASN 49.A N HIS 47.A ND1 no hydrogen 2.746 N/A ASN 49.A ND2 GLN 97.A OE1 no hydrogen 2.960 N/A ASN 49.A ND2 ILE 128.A O no hydrogen 2.964 N/A ILE 50.A N HIS 47.A O no hydrogen 2.880 N/A VAL 51.A N LEU 130.A O no hydrogen 2.923 N/A LYS 52.A N GLU 68.A OE1 no hydrogen 3.022 N/A LEU 54.A N VAL 66.A O no hydrogen 2.532 N/A ASP 55.A N VAL 66.A O no hydrogen 3.114 N/A ILE 57.A N TYR 64.A O no hydrogen 2.832 N/A HIS 58.A ND1 LYS 62.A O no hydrogen 3.342 N/A THR 59.A N LYS 62.A O no hydrogen 3.406 N/A LYS 62.A N THR 59.A O no hydrogen 3.102 N/A LYS 62.A NZ TYR 64.A OH no hydrogen 3.328 N/A LEU 63.A N ILE 32.A O no hydrogen 3.011 N/A TYR 64.A N ILE 57.A O no hydrogen 3.037 N/A LEU 65.A N LYS 30.A O no hydrogen 2.855 N/A VAL 66.A N ASP 55.A O no hydrogen 2.863 N/A PHE 67.A N ALA 28.A O no hydrogen 2.844 N/A GLU 68.A N LYS 52.A O no hydrogen 2.755 N/A LEU 74.A N LEU 120.A O no hydrogen 2.805 N/A LYS 76.A N ASP 73.A OD1 no hydrogen 2.549 N/A PHE 77.A N ASP 73.A O no hydrogen 3.185 N/A MET 78.A N LEU 74.A O no hydrogen 2.917 N/A ASP 79.A N LYS 75.A O no hydrogen 3.090 N/A ALA 80.A N LYS 76.A O no hydrogen 3.119 N/A SER 81.A N MET 78.A O no hydrogen 3.053 N/A SER 81.A OG PHE 77.A O no hydrogen 3.031 N/A ALA 82.A N ASP 79.A O no hydrogen 3.233 N/A GLY 85.A N SER 81.A O no hydrogen 2.388 N/A ILE 91.A N PRO 87.A O no hydrogen 2.912 N/A LYS 92.A N LEU 88.A O no hydrogen 2.701 N/A LYS 92.A NZ PHE 258.A O no hydrogen 3.136 N/A LYS 92.A NZ ASP 261.A OD1 no hydrogen 2.487 N/A LYS 92.A NZ ASP 261.A OD2 no hydrogen 3.507 N/A SER 93.A N PRO 89.A O no hydrogen 2.986 N/A TYR 94.A N LEU 90.A O no hydrogen 2.983 N/A LEU 95.A N ILE 91.A O no hydrogen 2.864 N/A PHE 96.A N LYS 92.A O no hydrogen 2.847 N/A GLN 97.A N SER 93.A O no hydrogen 2.810 N/A GLN 97.A NE2 SER 93.A OG no hydrogen 3.199 N/A GLN 97.A NE2 GLY 126.A O no hydrogen 2.794 N/A LEU 98.A N TYR 94.A O no hydrogen 2.983 N/A LEU 99.A N LEU 95.A O no hydrogen 2.938 N/A GLN 100.A N PHE 96.A O no hydrogen 3.080 N/A GLN 100.A N GLN 97.A O no hydrogen 2.948 N/A GLN 100.A NE2 PHE 96.A O no hydrogen 3.609 N/A GLY 101.A N GLN 97.A O no hydrogen 3.062 N/A LEU 102.A N LEU 98.A O no hydrogen 2.892 N/A ALA 103.A N LEU 99.A O no hydrogen 2.955 N/A PHE 104.A N GLN 100.A O no hydrogen 3.013 N/A CYS 105.A N GLY 101.A O no hydrogen 3.010 N/A CYS 105.A SG GLY 101.A O no hydrogen 3.326 N/A CYS 105.A SG LEU 102.A O no hydrogen 3.780 N/A CYS 105.A SG VAL 110.A O no hydrogen 3.883 N/A HIS 106.A N LEU 102.A O no hydrogen 2.787 N/A HIS 106.A NE2 ASP 158.A OD2 no hydrogen 2.715 N/A SER 107.A N ALA 103.A O no hydrogen 3.141 N/A SER 107.A OG ALA 103.A O no hydrogen 3.255 N/A SER 107.A OG PHE 104.A O no hydrogen 2.686 N/A HIS 108.A N CYS 105.A O no hydrogen 3.054 N/A HIS 108.A ND1 PHE 104.A O no hydrogen 3.040 N/A ARG 109.A N HIS 106.A O no hydrogen 2.831 N/A VAL 110.A N CYS 105.A O no hydrogen 2.816 N/A HIS 112.A N ASP 158.A OD2 no hydrogen 2.918 N/A HIS 112.A NE2 ALA 131.A O no hydrogen 2.814 N/A ARG 113.A N ASP 158.A OD1 no hydrogen 2.985 N/A ARG 113.A NH1 TYR 153.A OH no hydrogen 3.562 N/A ASP 114.A N HIS 112.A ND1 no hydrogen 3.152 N/A LYS 116.A NZ ASP 114.A OD2 no hydrogen 3.442 N/A ASN 119.A N LYS 116.A O no hydrogen 2.834 N/A ASN 119.A ND2 ASP 114.A O no hydrogen 2.703 N/A LEU 120.A N PRO 117.A O no hydrogen 3.010 N/A LEU 121.A N LYS 129.A O no hydrogen 2.870 N/A ILE 122.A N GLN 72.A O no hydrogen 2.678 N/A ASN 123.A N ALA 127.A O no hydrogen 3.270 N/A GLU 125.A N ASN 123.A OD1 no hydrogen 2.816 N/A ALA 127.A N ASN 123.A OD1 no hydrogen 2.989 N/A ILE 128.A N GLN 97.A OE1 no hydrogen 3.192 N/A LYS 129.A N LEU 121.A O no hydrogen 2.672 N/A LYS 129.A NZ GLU 68.A OE1 no hydrogen 3.214 N/A LYS 129.A NZ GLU 68.A OE2 no hydrogen 2.624 N/A LEU 130.A N ASN 49.A O no hydrogen 3.033 N/A ALA 131.A N ASN 119.A O no hydrogen 2.741 N/A GLY 134.A N HIS 112.A O no hydrogen 2.889 N/A TYR 141.A OH GLU 168.A OE1 no hydrogen 2.501 N/A ARG 142.A N LEU 139.A O no hydrogen 3.004 N/A GLU 145.A N GLU 145.A OE1 no hydrogen 2.559 N/A LEU 147.A N ALA 143.A O no hydrogen 3.399 N/A LEU 148.A N PRO 144.A O no hydrogen 2.835 N/A LEU 148.A N GLU 145.A O no hydrogen 3.204 N/A GLY 149.A N ILE 146.A O no hydrogen 2.872 N/A CYS 150.A N GLU 145.A O no hydrogen 2.864 N/A ALA 156.A N SER 154.A OG no hydrogen 3.256 N/A VAL 157.A N SER 154.A O no hydrogen 3.183 N/A ASP 158.A N THR 155.A O no hydrogen 3.076 N/A TRP 160.A N ALA 156.A O no hydrogen 3.165 N/A SER 161.A N VAL 157.A O no hydrogen 3.126 N/A SER 161.A OG TYR 141.A O no hydrogen 2.739 N/A SER 161.A OG VAL 157.A O no hydrogen 2.864 N/A LEU 162.A N ASP 158.A O no hydrogen 2.832 N/A GLY 163.A N ILE 159.A O no hydrogen 2.739 N/A CYS 164.A N TRP 160.A O no hydrogen 2.979 N/A CYS 164.A SG TRP 160.A O no hydrogen 3.445 N/A ILE 165.A N SER 161.A O no hydrogen 3.018 N/A PHE 166.A N LEU 162.A O no hydrogen 2.739 N/A ALA 167.A N GLY 163.A O no hydrogen 2.917 N/A GLU 168.A N CYS 164.A O no hydrogen 2.935 N/A MET 169.A N ILE 165.A O no hydrogen 2.907 N/A VAL 170.A N PHE 166.A O no hydrogen 3.176 N/A THR 171.A N ALA 167.A O no hydrogen 2.982 N/A THR 171.A OG1 ALA 167.A O no hydrogen 3.112 N/A ARG 172.A N GLU 168.A O no hydrogen 2.632 N/A ARG 172.A NH1 ALA 82.A O no hydrogen 2.814 N/A ARG 172.A NH1 LEU 83.A O no hydrogen 3.154 N/A GLY 178.A N PHE 176.A O no hydrogen 2.816 N/A ASP 179.A N ASP 183.A OD2 no hydrogen 2.940 N/A ASP 183.A N SER 180.A OG no hydrogen 3.172 N/A GLN 184.A N SER 180.A O no hydrogen 2.879 N/A GLN 184.A NE2 PHE 176.A O no hydrogen 2.834 N/A LEU 185.A N GLU 181.A O no hydrogen 2.935 N/A PHE 186.A N ILE 182.A O no hydrogen 2.722 N/A ARG 187.A N ASP 183.A O no hydrogen 2.876 N/A ARG 187.A NE ASP 183.A OD2 no hydrogen 2.621 N/A ILE 188.A N GLN 184.A O no hydrogen 3.085 N/A PHE 189.A N LEU 185.A O no hydrogen 2.904 N/A ARG 190.A N PHE 186.A O no hydrogen 2.930 N/A THR 191.A N ARG 187.A O no hydrogen 3.380 N/A THR 191.A N ILE 188.A O no hydrogen 3.224 N/A THR 191.A OG1 ARG 187.A O no hydrogen 3.017 N/A LEU 192.A N ILE 188.A O no hydrogen 3.003 N/A THR 194.A N TRP 216.A O no hydrogen 3.027 N/A THR 194.A OG1 PRO 214.A O no hydrogen 2.733 N/A VAL 199.A N ASP 196.A OD1 no hydrogen 2.802 N/A TRP 200.A N ASP 196.A O no hydrogen 2.935 N/A GLY 202.A N GLU 197.A OE1 no hydrogen 2.477 N/A VAL 203.A N TRP 200.A O no hydrogen 3.081 N/A THR 204.A N GLU 197.A OE2 no hydrogen 3.026 N/A THR 204.A OG1 GLU 197.A OE2 no hydrogen 2.584 N/A SER 205.A N GLY 202.A O no hydrogen 3.019 N/A MET 206.A N VAL 203.A O no hydrogen 2.922 N/A ASP 208.A N LEU 148.A O no hydrogen 2.906 N/A TYR 209.A N MET 206.A O no hydrogen 2.907 N/A PHE 213.A N LYS 210.A O no hydrogen 2.948 N/A TRP 216.A N THR 194.A OG1 no hydrogen 2.912 N/A GLN 219.A N THR 191.A O no hydrogen 2.962 N/A LYS 223.A N ASP 220.A O no hydrogen 2.830 N/A LEU 228.A N VAL 225.A O no hydrogen 3.129 N/A GLY 232.A N ASP 229.A OD1 no hydrogen 2.915 N/A ARG 233.A N ASP 229.A O no hydrogen 3.005 N/A ARG 233.A NH1 LEU 228.A O no hydrogen 2.836 N/A SER 234.A N GLU 230.A O no hydrogen 2.935 N/A SER 234.A OG HIS 256.A NE2 no hydrogen 3.076 N/A LEU 235.A N ASP 231.A O no hydrogen 2.983 N/A LEU 236.A N GLY 232.A O no hydrogen 2.905 N/A SER 237.A N ARG 233.A O no hydrogen 3.009 N/A GLN 238.A N SER 234.A O no hydrogen 3.228 N/A MET 239.A N LEU 235.A O no hydrogen 3.062 N/A MET 239.A N LEU 236.A O no hydrogen 3.024 N/A LEU 240.A N LEU 236.A O no hydrogen 2.887 N/A TYR 242.A OH GLY 193.A O no hydrogen 2.520 N/A ASN 245.A N ASP 243.A OD1 no hydrogen 2.558 N/A LYS 246.A N ASP 243.A O no hydrogen 2.905 N/A LYS 246.A NZ VAL 199.A O no hydrogen 3.200 N/A ARG 247.A N ASP 243.A O no hydrogen 2.964 N/A ARG 247.A N PRO 244.A O no hydrogen 3.281 N/A ARG 247.A NE HIS 241.A O no hydrogen 2.778 N/A ARG 247.A NH1 GLU 145.A OE2 no hydrogen 2.999 N/A ARG 247.A NH1 ALA 156.A O no hydrogen 2.866 N/A ARG 247.A NH2 GLU 145.A OE1 no hydrogen 3.143 N/A ARG 247.A NH2 HIS 241.A O no hydrogen 2.997 N/A ARG 247.A NH2 TYR 242.A O no hydrogen 2.851 N/A ILE 248.A N GLN 238.A O no hydrogen 2.850 N/A ALA 252.A N SER 249.A OG no hydrogen 3.314 N/A ALA 253.A N SER 249.A O no hydrogen 2.834 N/A LEU 254.A N ALA 250.A O no hydrogen 3.058 N/A LEU 254.A N LYS 251.A O no hydrogen 3.137 N/A ALA 255.A N ALA 252.A O no hydrogen 3.114 N/A HIS 256.A N ALA 253.A O no hydrogen 3.092 N/A HIS 256.A NE2 SER 234.A OG no hydrogen 3.076 N/A PHE 258.A N HIS 256.A ND1 no hydrogen 3.027 N/A PHE 259.A N HIS 256.A O no hydrogen 3.010 N/A GLN 260.A N PRO 257.A O no hydrogen 2.914 N/A LYS 264.A NZ GLU 125.A O no hydrogen 3.248 N/A