Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pss_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ LYS 21.A O no hydrogen 3.333 N/A PHE 4.A N LEU 18.A O no hydrogen 2.858 N/A SER 5.A OG SER 17.A OG no hydrogen 2.738 N/A GLU 6.A N PHE 16.A O no hydrogen 3.049 N/A MET 10.A N SER 8.A OG no hydrogen 2.923 N/A TRP 11.A N SER 8.A O no hydrogen 3.259 N/A SER 17.A OG SER 5.A OG no hydrogen 2.738 N/A LEU 18.A N PHE 4.A O no hydrogen 3.009 N/A ILE 20.A N LYS 2.A O no hydrogen 2.766 N/A LYS 21.A N GLU 38.A O no hydrogen 2.831 N/A LYS 22.A N GLU 38.A O no hydrogen 3.237 N/A LEU 24.A N VAL 36.A O no hydrogen 2.927 N/A TYR 25.A N VAL 36.A O no hydrogen 3.368 N/A THR 27.A N VAL 34.A O no hydrogen 2.939 N/A SER 29.A N GLN 32.A O no hydrogen 2.899 N/A SER 29.A OG GLN 32.A O no hydrogen 3.113 N/A SER 29.A OG ASP 109.A OD2 no hydrogen 2.623 N/A TYR 31.A N SER 29.A OG no hydrogen 3.163 N/A GLN 32.A N SER 29.A OG no hydrogen 3.226 N/A GLN 32.A NE2 ASP 109.A OD2 no hydrogen 3.029 N/A ASN 33.A N ASP 49.A OD1 no hydrogen 3.108 N/A VAL 34.A N THR 27.A O no hydrogen 2.856 N/A LEU 35.A N VAL 47.A O no hydrogen 2.874 N/A VAL 36.A N TYR 25.A O no hydrogen 2.907 N/A PHE 37.A N VAL 45.A O no hydrogen 3.148 N/A GLU 38.A N LYS 22.A O no hydrogen 2.895 N/A SER 39.A N GLY 43.A O no hydrogen 2.796 N/A SER 39.A OG GLY 43.A O no hydrogen 2.716 N/A THR 40.A N LYS 19.A O no hydrogen 3.134 N/A TYR 42.A N SER 39.A OG no hydrogen 3.019 N/A LYS 44.A N GLU 56.A OE1 no hydrogen 2.791 N/A LYS 44.A NZ TYR 119.A O no hydrogen 2.697 N/A VAL 45.A N PHE 37.A O no hydrogen 2.770 N/A LEU 46.A N LEU 54.A O no hydrogen 2.949 N/A VAL 47.A N LEU 35.A O no hydrogen 2.749 N/A LEU 48.A N VAL 51.A O no hydrogen 2.892 N/A ASP 49.A N ASN 33.A O no hydrogen 2.921 N/A VAL 51.A N LEU 48.A O no hydrogen 3.130 N/A ILE 52.A N GLU 6.A OE2 no hydrogen 3.403 N/A GLN 53.A N LEU 46.A O no hydrogen 2.775 N/A LEU 54.A N LEU 46.A O no hydrogen 3.490 N/A THR 55.A OG1 ASP 58.A OD1 no hydrogen 2.843 N/A GLU 56.A N LYS 44.A O no hydrogen 3.057 N/A LYS 57.A N TYR 42.A O no hydrogen 3.149 N/A GLU 59.A N THR 55.A O no hydrogen 3.180 N/A ALA 61.A N ASP 58.A O no hydrogen 3.150 N/A TYR 62.A OH ASP 156.A OD1 no hydrogen 2.907 N/A HIS 63.A N GLU 59.A O no hydrogen 3.034 N/A HIS 63.A ND1 GLU 59.A OE1 no hydrogen 2.661 N/A GLU 64.A N PHE 60.A O no hydrogen 2.787 N/A MET 65.A N ALA 61.A O no hydrogen 3.179 N/A MET 66.A N TYR 62.A O no hydrogen 3.078 N/A THR 67.A N HIS 63.A O no hydrogen 3.175 N/A THR 67.A OG1 HIS 63.A O no hydrogen 2.710 N/A HIS 68.A N GLU 64.A O no hydrogen 2.829 N/A HIS 68.A ND1 TYR 97.A OH no hydrogen 2.825 N/A HIS 68.A NE2 GLU 93.A OE1 no hydrogen 2.693 N/A VAL 69.A N MET 65.A O no hydrogen 3.262 N/A MET 71.A N THR 67.A O no hydrogen 3.116 N/A THR 72.A N HIS 68.A O no hydrogen 3.199 N/A THR 72.A OG1 HIS 68.A O no hydrogen 2.666 N/A THR 72.A OG1 VAL 69.A O no hydrogen 3.078 N/A THR 72.A OG1 TYR 247.A OH no hydrogen 3.041 N/A THR 72.A OG1 HIS 252.A ND1 no hydrogen 3.297 N/A VAL 73.A N PRO 70.A O no hydrogen 3.181 N/A SER 74.A N PRO 70.A O no hydrogen 2.857 N/A LYS 78.A N ASP 151.A OD2 no hydrogen 2.589 N/A LYS 78.A NZ GLU 76.A OE1 no hydrogen 2.806 N/A ASN 79.A N ASP 151.A OD2 no hydrogen 3.094 N/A ASN 79.A ND2 THR 149.A O no hydrogen 3.271 N/A VAL 80.A N ASN 102.A O no hydrogen 3.224 N/A LEU 81.A N VAL 152.A O no hydrogen 3.035 N/A VAL 82.A N ASP 104.A O no hydrogen 2.764 N/A VAL 83.A N ILE 154.A O no hydrogen 2.905 N/A GLY 84.A N CYS 106.A O no hydrogen 2.935 N/A GLY 88.A N GLY 85.A O no hydrogen 3.111 N/A GLY 89.A N ASP 87.A OD1 no hydrogen 2.818 N/A ARG 92.A N GLY 88.A O no hydrogen 2.789 N/A ARG 92.A NE GLU 93.A OE2 no hydrogen 2.993 N/A ARG 92.A NH1 GLU 59.A OE1 no hydrogen 3.555 N/A ARG 92.A NH1 GLU 59.A OE2 no hydrogen 2.913 N/A ARG 92.A NH1 ASN 122.A O no hydrogen 2.937 N/A ARG 92.A NH2 GLU 59.A OE1 no hydrogen 3.109 N/A ARG 92.A NH2 GLU 59.A OE2 no hydrogen 3.358 N/A ARG 92.A NH2 GLU 93.A OE2 no hydrogen 2.780 N/A GLU 93.A N GLY 89.A O no hydrogen 3.211 N/A GLU 93.A N ILE 90.A O no hydrogen 2.876 N/A LEU 94.A N ILE 90.A O no hydrogen 2.862 N/A CYS 95.A N ILE 91.A O no hydrogen 3.046 N/A CYS 95.A SG ILE 91.A O no hydrogen 3.345 N/A CYS 95.A SG GLY 126.A O no hydrogen 3.850 N/A LYS 96.A N GLU 93.A O no hydrogen 3.358 N/A LYS 96.A NZ GLU 93.A OE1 no hydrogen 2.717 N/A LYS 96.A NZ GLU 93.A OE2 no hydrogen 3.196 N/A TYR 97.A N LEU 94.A O no hydrogen 3.030 N/A TYR 97.A OH HIS 68.A ND1 no hydrogen 2.825 N/A LYS 98.A NZ LYS 96.A O no hydrogen 3.170 N/A SER 99.A OG PRO 77.A O no hydrogen 3.154 N/A GLU 101.A N LYS 78.A O no hydrogen 2.865 N/A ASN 102.A N LYS 78.A O no hydrogen 3.079 N/A ASN 102.A ND2 ASN 133.A OD1 no hydrogen 2.759 N/A ILE 103.A N ARG 131.A O no hydrogen 2.993 N/A ASP 104.A N VAL 80.A O no hydrogen 2.826 N/A ILE 105.A N ASN 133.A O no hydrogen 2.993 N/A CYS 106.A N VAL 82.A O no hydrogen 2.876 N/A CYS 106.A SG.A PHE 135.A O no hydrogen 4.005 N/A CYS 106.A SG.A GLU 137.A O no hydrogen 3.133 N/A GLU 107.A N PHE 135.A O no hydrogen 3.186 N/A ASP 109.A N GLU 107.A OE2 no hydrogen 2.968 N/A THR 111.A N ASP 109.A OD1 no hydrogen 3.011 N/A THR 111.A OG1 ASP 109.A OD1 no hydrogen 2.992 N/A VAL 112.A N ASP 109.A O no hydrogen 3.231 N/A GLU 114.A N GLU 110.A O no hydrogen 2.874 N/A VAL 115.A N THR 111.A O no hydrogen 2.670 N/A SER 116.A N VAL 112.A O no hydrogen 3.023 N/A SER 116.A OG ASP 87.A O no hydrogen 2.604 N/A LYS 117.A N ILE 113.A O no hydrogen 2.875 N/A ILE 118.A N GLU 114.A O no hydrogen 3.123 N/A ILE 118.A N VAL 115.A O no hydrogen 3.242 N/A TYR 119.A N VAL 115.A O no hydrogen 2.833 N/A PHE 120.A N SER 116.A O no hydrogen 3.115 N/A LYS 121.A NZ LYS 117.A O no hydrogen 3.155 N/A ILE 123.A N PHE 120.A O no hydrogen 2.944 N/A SER 124.A N PHE 120.A O no hydrogen 3.005 N/A SER 124.A OG SER 116.A O no hydrogen 2.820 N/A SER 124.A OG PHE 120.A O no hydrogen 3.045 N/A TYR 127.A N SER 124.A O no hydrogen 3.345 N/A TYR 127.A OH GLY 86.A O no hydrogen 2.631 N/A GLU 128.A N CYS 125.A O no hydrogen 3.227 N/A ASP 129.A N GLY 126.A O no hydrogen 3.147 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 3.110 N/A ARG 131.A NE ASP 129.A OD1 no hydrogen 2.929 N/A ARG 131.A NH1 TYR 97.A O no hydrogen 2.829 N/A ARG 131.A NH1 VAL 100.A O no hydrogen 3.001 N/A ARG 131.A NH2 CYS 95.A O no hydrogen 2.937 N/A ARG 131.A NH2 ASP 129.A OD1 no hydrogen 3.484 N/A ARG 131.A NH2 ASP 129.A OD2 no hydrogen 3.102 N/A VAL 132.A N ASP 129.A O no hydrogen 3.171 N/A ASN 133.A N ILE 103.A O no hydrogen 2.720 N/A PHE 135.A N ILE 105.A O no hydrogen 2.885 N/A GLU 137.A N GLU 107.A O no hydrogen 3.362 N/A LYS 141.A N ASP 138.A OD1 no hydrogen 3.251 N/A PHE 142.A N ASP 138.A O no hydrogen 2.766 N/A LEU 143.A N ALA 139.A O no hydrogen 2.818 N/A GLU 144.A N SER 140.A O no hydrogen 3.194 N/A ASN 145.A N LYS 141.A O no hydrogen 3.060 N/A ASN 145.A N PHE 142.A O no hydrogen 3.255 N/A TYR 150.A N ALA 167.A O no hydrogen 2.624 N/A TYR 150.A OH ASP 104.A OD2 no hydrogen 2.500 N/A ASP 151.A N ASN 79.A O no hydrogen 2.768 N/A ILE 153.A N TYR 173.A O no hydrogen 2.909 N/A ILE 154.A N LEU 81.A O no hydrogen 2.857 N/A VAL 155.A N VAL 175.A O no hydrogen 2.745 N/A ASP 156.A N VAL 83.A O no hydrogen 2.762 N/A LYS 163.A N ASN 159.A O no hydrogen 3.044 N/A LYS 163.A NZ ASN 159.A OD1 no hydrogen 2.836 N/A ILE 164.A N PHE 160.A O no hydrogen 2.983 N/A TYR 165.A N TYR 161.A O no hydrogen 3.015 N/A ASN 166.A N GLU 162.A O no hydrogen 3.073 N/A ALA 167.A N LYS 163.A O no hydrogen 3.040 N/A ALA 167.A N ILE 164.A O no hydrogen 3.130 N/A LEU 168.A N TYR 165.A O no hydrogen 3.158 N/A LYS 169.A N TYR 150.A O no hydrogen 2.915 N/A GLY 172.A N LYS 169.A O no hydrogen 2.802 N/A TYR 173.A N ASP 151.A O no hydrogen 3.013 N/A CYS 174.A N CYS 222.A O no hydrogen 3.047 N/A CYS 174.A SG ILE 153.A O no hydrogen 3.732 N/A VAL 175.A N ILE 153.A O no hydrogen 2.981 N/A ALA 176.A N LEU 220.A O no hydrogen 2.855 N/A GLN 177.A N VAL 155.A O no hydrogen 3.094 N/A GLN 177.A NE2 TYR 62.A OH no hydrogen 2.992 N/A CYS 178.A N GLY 218.A O no hydrogen 2.811 N/A TRP 182.A N SER 180.A OG no hydrogen 3.317 N/A ILE 183.A N SER 180.A O no hydrogen 3.184 N/A HIS 184.A N SER 180.A O no hydrogen 3.149 N/A HIS 184.A NE2 MET 10.A O no hydrogen 2.350 N/A ILE 188.A N HIS 184.A O no hydrogen 3.085 N/A LYS 189.A N VAL 185.A O no hydrogen 2.864 N/A ASN 190.A N GLY 186.A O no hydrogen 2.925 N/A MET 191.A N THR 187.A O no hydrogen 2.912 N/A ILE 192.A N ILE 188.A O no hydrogen 3.044 N/A GLY 193.A N LYS 189.A O no hydrogen 2.866 N/A TYR 194.A N ASN 190.A O no hydrogen 2.885 N/A ALA 195.A N MET 191.A O no hydrogen 2.963 N/A LYS 196.A N ILE 192.A O no hydrogen 3.018 N/A LEU 198.A N ALA 195.A O no hydrogen 3.065 N/A PHE 199.A N ALA 195.A O no hydrogen 2.678 N/A LYS 200.A NZ ASP 226.A OD2 no hydrogen 2.860 N/A LYS 201.A N SER 223.A O no hydrogen 3.362 N/A LYS 201.A NZ ASP 226.A O no hydrogen 3.118 N/A GLU 203.A N CYS 221.A O no hydrogen 2.854 N/A TYR 204.A OH CYS 178.A O no hydrogen 3.237 N/A TYR 204.A OH GLU 179.A O no hydrogen 2.790 N/A ALA 205.A N ILE 219.A O no hydrogen 3.083 N/A ASN 206.A N ALA 255.A O no hydrogen 2.943 N/A ILE 207.A N ILE 217.A O no hydrogen 2.787 N/A SER 208.A N TYR 246.A OH no hydrogen 3.246 N/A ILE 209.A N GLY 215.A O no hydrogen 3.005 N/A THR 211.A N ASP 58.A OD2 no hydrogen 3.240 N/A THR 211.A OG1 ASP 58.A OD1 no hydrogen 3.355 N/A THR 211.A OG1 ASP 58.A OD2 no hydrogen 2.800 N/A TYR 212.A N ILE 209.A O no hydrogen 3.313 N/A TYR 212.A OH GLN 53.A O no hydrogen 3.101 N/A CYS 214.A SG GLN 14.A OE1 no hydrogen 3.877 N/A GLY 215.A N TYR 212.A O no hydrogen 2.881 N/A CYS 216.A SG SER 180.A OG no hydrogen 3.273 N/A CYS 216.A SG ASN 206.A OD1 no hydrogen 3.495 N/A ILE 217.A N ILE 207.A O no hydrogen 2.939 N/A GLY 218.A N GLU 179.A O no hydrogen 2.794 N/A ILE 219.A N ALA 205.A O no hydrogen 2.796 N/A LEU 220.A N ALA 176.A O no hydrogen 2.745 N/A CYS 221.A N GLU 203.A O no hydrogen 2.716 N/A CYS 221.A SG ILE 219.A O no hydrogen 3.763 N/A CYS 222.A N CYS 174.A O no hydrogen 2.849 N/A SER 223.A N LYS 201.A O no hydrogen 2.959 N/A LYS 224.A NZ TYR 165.A O no hydrogen 2.826 N/A LYS 224.A NZ LEU 168.A O no hydrogen 3.123 N/A LYS 224.A NZ LYS 169.A O no hydrogen 3.356 N/A THR 225.A OG1 THR 227.A OG1 no hydrogen 3.087 N/A THR 227.A OG1 THR 225.A OG1 no hydrogen 3.087 N/A LEU 229.A N GLU 203.A OE1 no hydrogen 2.718 N/A ASN 233.A N THR 72.A O no hydrogen 2.631 N/A ASN 233.A ND2 VAL 73.A O no hydrogen 2.870 N/A LYS 234.A NZ MET 71.A O no hydrogen 2.664 N/A LYS 234.A NZ SER 74.A O no hydrogen 2.536 N/A LYS 234.A NZ LYS 75.A O no hydrogen 3.444 N/A SER 238.A OG GLU 240.A OE1 no hydrogen 2.821 N/A PHE 241.A N SER 238.A O no hydrogen 2.993 N/A ALA 242.A N LYS 239.A O no hydrogen 3.376 N/A LEU 244.A N PHE 241.A O no hydrogen 3.407 N/A LYS 245.A N GLU 64.A OE1 no hydrogen 3.262 N/A LYS 245.A N GLU 64.A OE2 no hydrogen 2.784 N/A TYR 246.A N GLU 64.A OE1 no hydrogen 2.803 N/A TYR 247.A N GLU 64.A OE1 no hydrogen 2.886 N/A TYR 247.A OH HIS 252.A ND1 no hydrogen 2.841 N/A ASN 248.A N ASN 251.A OD1 no hydrogen 2.867 N/A ASN 251.A N ASN 248.A OD1 no hydrogen 2.866 N/A ASN 251.A ND2 TYR 246.A O no hydrogen 3.102 N/A HIS 252.A N ASN 248.A O no hydrogen 3.141 N/A HIS 252.A ND1 TYR 247.A OH no hydrogen 2.841 N/A HIS 252.A NE2 LEU 229.A O no hydrogen 2.718 N/A SER 253.A OG THR 230.A O no hydrogen 3.270 N/A ALA 254.A N GLU 250.A O no hydrogen 3.174 N/A ALA 255.A N ASN 251.A O no hydrogen 3.019 N/A PHE 256.A N SER 253.A O no hydrogen 3.091 N/A LYS 257.A N ALA 254.A O no hydrogen 2.957 N/A LEU 262.A N PRO 259.A O no hydrogen 2.803 N/A LEU 263.A N PRO 259.A O no hydrogen 3.236 N/A LYS 264.A N ALA 260.A O no hydrogen 3.009 N/A GLU 265.A N PHE 261.A O no hydrogen 3.285 N/A ILE 266.A N LEU 262.A O no hydrogen 2.940 N/A