Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8p81_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG TYR 4.A O no hydrogen 3.721 N/A TRP 3.A NE1 ASP 133.A OD2 no hydrogen 2.977 N/A TRP 5.A N LEU 178.A O no hydrogen 2.922 N/A ASP 6.A N ASP 9.A OD2 no hydrogen 3.436 N/A LYS 7.A NZ GLN 179.A OE1 no hydrogen 2.687 N/A LYS 7.A NZ ASP 228.A OD1 no hydrogen 2.699 N/A LYS 7.A NZ ASP 228.A OD2 no hydrogen 3.142 N/A LYS 7.A NZ GLN 232.A OE1 no hydrogen 2.895 N/A LEU 10.A N ASP 6.A O no hydrogen 3.017 N/A ALA 11.A N LYS 7.A O no hydrogen 3.248 N/A HIS 12.A N ASP 9.A O no hydrogen 2.958 N/A THR 13.A OG1 GLU 25.A OE1 no hydrogen 2.954 N/A THR 13.A OG1 GLU 25.A OE2 no hydrogen 2.701 N/A GLN 16.A N THR 13.A OG1 no hydrogen 3.357 N/A GLN 16.A NE2 LEU 10.A O no hydrogen 3.676 N/A LEU 17.A N THR 13.A O no hydrogen 3.045 N/A GLU 18.A N SER 15.A O no hydrogen 3.247 N/A GLY 19.A N GLN 16.A O no hydrogen 3.317 N/A LEU 20.A N SER 15.A O no hydrogen 3.228 N/A THR 24.A N ASP 21.A O no hydrogen 3.230 N/A THR 24.A N ASP 21.A OD1 no hydrogen 3.411 N/A THR 24.A OG1 ASP 21.A OD1 no hydrogen 2.764 N/A GLU 25.A N ASP 21.A O no hydrogen 3.420 N/A ALA 26.A N PRO 22.A O no hydrogen 3.235 N/A ARG 27.A N ALA 23.A O no hydrogen 3.203 N/A TYR 28.A N THR 24.A O no hydrogen 2.773 N/A ARG 29.A N GLU 25.A O no hydrogen 2.828 N/A ARG 29.A NE GLU 25.A OE2 no hydrogen 3.423 N/A ARG 29.A NH1 HIS 58.A ND1 no hydrogen 3.362 N/A ARG 29.A NH1 HIS 58.A O no hydrogen 3.470 N/A ARG 29.A NH2 GLU 25.A OE2 no hydrogen 3.214 N/A ARG 30.A N ALA 26.A O no hydrogen 3.156 N/A GLU 31.A N ARG 27.A O no hydrogen 2.814 N/A GLY 32.A N TYR 28.A O no hydrogen 2.786 N/A ALA 33.A N ARG 29.A O no hydrogen 2.906 N/A ARG 34.A N ARG 30.A O no hydrogen 2.748 N/A PHE 35.A N GLU 31.A O no hydrogen 2.891 N/A ILE 36.A N GLY 32.A O no hydrogen 3.083 N/A PHE 37.A N ALA 33.A O no hydrogen 2.970 N/A ASP 38.A N ARG 34.A O no hydrogen 3.004 N/A VAL 39.A N PHE 35.A O no hydrogen 2.880 N/A GLY 40.A N ILE 36.A O no hydrogen 3.070 N/A THR 41.A N PHE 37.A O no hydrogen 3.212 N/A THR 41.A OG1 PHE 37.A O no hydrogen 2.608 N/A ARG 42.A N ASP 38.A O no hydrogen 3.257 N/A LEU 43.A N VAL 39.A O no hydrogen 3.199 N/A GLY 44.A N THR 41.A O no hydrogen 2.956 N/A LEU 45.A N GLY 40.A O no hydrogen 3.016 N/A HIS 46.A NE2 ASP 48.A OD2 no hydrogen 2.998 N/A THR 49.A OG1 THR 88.A OG1 no hydrogen 2.998 N/A LEU 50.A N HIS 46.A O no hydrogen 3.180 N/A ALA 51.A N TYR 47.A O no hydrogen 3.243 N/A THR 52.A N ASP 48.A O no hydrogen 2.945 N/A THR 52.A OG1 ASP 48.A O no hydrogen 2.768 N/A THR 52.A OG1 GLU 86.A OE2 no hydrogen 3.183 N/A THR 52.A OG1 HIS 138.A NE2 no hydrogen 2.746 N/A GLY 53.A N THR 49.A O no hydrogen 3.281 N/A ILE 54.A N LEU 50.A O no hydrogen 3.145 N/A ILE 55.A N ALA 51.A O no hydrogen 2.943 N/A TYR 56.A N THR 52.A O no hydrogen 2.942 N/A TYR 56.A OH LEU 134.A O no hydrogen 2.772 N/A PHE 57.A N GLY 53.A O no hydrogen 2.856 N/A HIS 58.A N ILE 54.A O no hydrogen 2.858 N/A HIS 58.A NE2 LEU 172.A O no hydrogen 2.468 N/A ARG 59.A N ILE 55.A O no hydrogen 2.929 N/A PHE 60.A N TYR 56.A O no hydrogen 2.991 N/A PHE 60.A N PHE 57.A O no hydrogen 3.217 N/A TYR 61.A N PHE 57.A O no hydrogen 3.456 N/A TYR 61.A OH PHE 69.A O no hydrogen 2.969 N/A MET 62.A N ARG 59.A O no hydrogen 3.474 N/A PHE 63.A N PHE 60.A O no hydrogen 3.109 N/A HIS 64.A N PHE 60.A O no hydrogen 3.168 N/A HIS 64.A NE2 THR 129.A OG1 no hydrogen 3.003 N/A SER 65.A OG GLU 18.A OE1 no hydrogen 2.881 N/A PHE 66.A N SER 15.A OG no hydrogen 3.148 N/A LYS 67.A N SER 65.A OG no hydrogen 3.022 N/A LYS 67.A NZ GLU 18.A O no hydrogen 2.331 N/A PHE 69.A N SER 65.A O no hydrogen 3.399 N/A TYR 72.A N GLN 110.A OE1 no hydrogen 3.223 N/A THR 74.A N PRO 70.A O no hydrogen 3.151 N/A THR 74.A OG1 TYR 61.A OH no hydrogen 3.106 N/A THR 74.A OG1 PRO 70.A O no hydrogen 3.079 N/A GLY 75.A N ARG 71.A O no hydrogen 2.707 N/A ALA 76.A N TYR 72.A O no hydrogen 3.011 N/A CYS 77.A N VAL 73.A O no hydrogen 2.973 N/A CYS 77.A SG VAL 119.A O no hydrogen 3.588 N/A CYS 78.A N THR 74.A O no hydrogen 2.855 N/A CYS 78.A SG THR 74.A O no hydrogen 3.152 N/A LEU 79.A N GLY 75.A O no hydrogen 3.322 N/A PHE 80.A N ALA 76.A O no hydrogen 2.993 N/A LEU 81.A N CYS 77.A O no hydrogen 2.955 N/A ALA 82.A N CYS 78.A O no hydrogen 2.873 N/A GLY 83.A N LEU 79.A O no hydrogen 3.129 N/A LYS 84.A NZ GLU 123.A OE2 no hydrogen 2.424 N/A VAL 85.A N LEU 81.A O no hydrogen 3.136 N/A GLU 86.A N ALA 82.A O no hydrogen 2.983 N/A THR 88.A N GLY 83.A O no hydrogen 2.788 N/A THR 88.A OG1 THR 49.A OG1 no hydrogen 2.998 N/A LYS 90.A NZ LEU 43.A O no hydrogen 3.181 N/A ASP 94.A N LYS 91.A O no hydrogen 2.962 N/A ILE 95.A N LYS 91.A O no hydrogen 3.230 N/A ILE 96.A N CYS 92.A O no hydrogen 3.111 N/A LYS 97.A N LYS 93.A O no hydrogen 3.196 N/A THR 98.A N ASP 94.A O no hydrogen 3.177 N/A THR 98.A OG1 ASP 94.A O no hydrogen 2.889 N/A ALA 99.A N ILE 95.A O no hydrogen 2.836 N/A ARG 100.A N ILE 96.A O no hydrogen 2.911 N/A SER 101.A OG LYS 97.A O no hydrogen 2.895 N/A LEU 102.A N THR 98.A O no hydrogen 3.394 N/A LEU 102.A N ALA 99.A O no hydrogen 3.163 N/A LEU 103.A N ALA 99.A O no hydrogen 2.859 N/A ASP 105.A N ASN 104.A OD1 no hydrogen 2.763 N/A PHE 108.A N ASN 104.A O no hydrogen 2.573 N/A GLY 109.A N VAL 106.A O no hydrogen 3.165 N/A GLN 110.A N GLN 107.A O no hydrogen 3.409 N/A PHE 111.A N PHE 108.A O no hydrogen 3.233 N/A GLY 112.A N GLY 109.A O no hydrogen 3.161 N/A GLU 117.A N ASP 114.A OD1 no hydrogen 3.464 N/A GLU 118.A N ASP 114.A O no hydrogen 3.105 N/A VAL 119.A N LYS 116.A O no hydrogen 3.216 N/A MET 120.A N LYS 116.A O no hydrogen 3.079 N/A VAL 121.A N GLU 117.A O no hydrogen 2.990 N/A GLU 123.A N VAL 119.A O no hydrogen 3.185 N/A GLU 123.A N MET 120.A O no hydrogen 3.202 N/A ARG 124.A N VAL 121.A O no hydrogen 3.179 N/A LEU 126.A N LEU 122.A O no hydrogen 2.928 N/A LEU 127.A N GLU 123.A O no hydrogen 3.061 N/A GLN 128.A N ARG 124.A O no hydrogen 3.351 N/A THR 129.A N ILE 125.A O no hydrogen 2.913 N/A THR 129.A OG1 HIS 64.A NE2 no hydrogen 3.003 N/A THR 129.A OG1 ILE 125.A O no hydrogen 2.527 N/A ILE 130.A N LEU 126.A O no hydrogen 2.922 N/A LYS 131.A N GLN 128.A O no hydrogen 3.058 N/A PHE 132.A N LEU 127.A O no hydrogen 3.158 N/A ASP 133.A N ILE 130.A O no hydrogen 3.238 N/A HIS 138.A NE2 THR 52.A OG1 no hydrogen 2.746 N/A TYR 140.A OH ASN 169.A OD1 no hydrogen 2.855 N/A LEU 143.A N PRO 139.A O no hydrogen 2.828 N/A LEU 144.A N TYR 140.A O no hydrogen 3.028 N/A LYS 145.A N GLN 141.A O no hydrogen 3.158 N/A TYR 146.A N PHE 142.A O no hydrogen 2.917 N/A ALA 147.A N LEU 143.A O no hydrogen 3.142 N/A LYS 148.A N LEU 144.A O no hydrogen 3.013 N/A GLN 149.A N TYR 146.A O no hydrogen 3.157 N/A LEU 150.A N ALA 147.A O no hydrogen 3.044 N/A LYS 151.A N TRP 204.A O no hydrogen 3.296 N/A ASN 155.A N ASP 153.A OD1 no hydrogen 2.832 N/A LYS 156.A N ASP 153.A OD1 no hydrogen 3.265 N/A ILE 157.A N ASP 153.A O no hydrogen 2.917 N/A GLN 158.A N LYS 154.A O no hydrogen 3.097 N/A LYS 159.A N ASN 155.A O no hydrogen 2.890 N/A LEU 160.A N LYS 156.A O no hydrogen 3.067 N/A VAL 161.A N ILE 157.A O no hydrogen 3.034 N/A GLN 162.A N GLN 158.A O no hydrogen 3.054 N/A GLN 162.A NE2.B GLN 158.A OE1 no hydrogen 2.324 N/A MET 163.A N LYS 159.A O no hydrogen 3.156 N/A ALA 164.A N LEU 160.A O no hydrogen 3.019 N/A TRP 165.A N VAL 161.A O no hydrogen 2.686 N/A THR 166.A OG1 GLN 162.A O no hydrogen 3.040 N/A PHE 167.A N MET 163.A O no hydrogen 3.132 N/A VAL 168.A N ALA 164.A O no hydrogen 3.010 N/A ASN 169.A N TRP 165.A O no hydrogen 3.285 N/A ASP 170.A N THR 166.A O no hydrogen 3.053 N/A SER 171.A N PHE 167.A O no hydrogen 2.907 N/A SER 171.A OG PHE 167.A O no hydrogen 3.445 N/A SER 171.A OG VAL 168.A O no hydrogen 2.593 N/A CYS 173.A N ASP 170.A O no hydrogen 3.283 N/A THR 174.A N SER 171.A O no hydrogen 3.215 N/A THR 174.A OG1 SER 171.A O no hydrogen 2.801 N/A LEU 178.A N THR 175.A O no hydrogen 2.979 N/A GLN 179.A N LEU 176.A O no hydrogen 2.985 N/A GLN 179.A NE2 THR 175.A O no hydrogen 3.596 N/A GLN 179.A NE2 THR 175.A OG1 no hydrogen 3.364 N/A GLN 179.A NE2 GLN 232.A OE1 no hydrogen 3.261 N/A TRP 180.A N LEU 176.A O no hydrogen 3.107 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.620 N/A ILE 185.A N GLU 181.A O no hydrogen 3.027 N/A ALA 186.A N PRO 182.A O no hydrogen 2.775 N/A VAL 187.A N GLU 183.A O no hydrogen 3.074 N/A ALA 188.A N ILE 184.A O no hydrogen 2.818 N/A VAL 189.A N ILE 185.A O no hydrogen 3.025 N/A TYR 191.A N VAL 187.A O no hydrogen 2.945 N/A TYR 191.A OH GLU 227.A OE2 no hydrogen 2.895 N/A LEU 192.A N ALA 188.A O no hydrogen 2.867 N/A ALA 193.A N VAL 189.A O no hydrogen 3.030 N/A GLY 194.A N MET 190.A O no hydrogen 2.921 N/A ARG 195.A N LEU 192.A O no hydrogen 3.031 N/A ARG 195.A NH2 GLU 227.A OE1 no hydrogen 2.755 N/A LEU 196.A N LEU 192.A O no hydrogen 3.274 N/A CYS 197.A N ALA 193.A O no hydrogen 3.286 N/A CYS 197.A SG ALA 193.A O no hydrogen 3.357 N/A LYS 198.A N ARG 195.A O no hydrogen 3.071 N/A PHE 199.A N GLY 194.A O no hydrogen 2.874 N/A GLN 202.A N GLN 202.A OE1 no hydrogen 2.883 N/A GLU 203.A N GLU 200.A O no hydrogen 3.231 N/A TRP 204.A N ILE 201.A O no hydrogen 3.102 N/A THR 205.A N GLN 202.A O no hydrogen 3.334 N/A THR 205.A OG1 GLN 202.A O no hydrogen 2.562 N/A THR 205.A OG1 LYS 207.A O no hydrogen 3.005 N/A TYR 210.A OH GLU 215.A OE1 no hydrogen 2.380 N/A ARG 212.A NH2 TYR 210.A OH no hydrogen 3.557 N/A TRP 213.A N ARG 211.A O no hydrogen 3.052 N/A TRP 214.A NE1 VAL 221.A O no hydrogen 2.957 N/A PHE 217.A N TRP 214.A O no hydrogen 3.042 N/A VAL 218.A N TRP 214.A O no hydrogen 2.966 N/A GLU 227.A N VAL 223.A O no hydrogen 2.915 N/A ASP 228.A N ASP 224.A O no hydrogen 2.952 N/A ILE 229.A N VAL 225.A O no hydrogen 3.127 N/A CYS 230.A N LEU 226.A O no hydrogen 2.893 N/A CYS 230.A SG ALA 188.A O no hydrogen 3.913 N/A CYS 230.A SG LEU 226.A O no hydrogen 3.160 N/A HIS 231.A N GLU 227.A O no hydrogen 2.883 N/A GLN 232.A N ASP 228.A O no hydrogen 3.156 N/A ILE 233.A N ILE 229.A O no hydrogen 3.105 N/A LEU 234.A N CYS 230.A O no hydrogen 3.019 N/A ASP 235.A N HIS 231.A O no hydrogen 3.074 N/A LEU 236.A N ILE 233.A O no hydrogen 3.217 N/A TYR 237.A N LEU 234.A O no hydrogen 3.265 N/A TYR 237.A OH ASP 170.A OD2 no hydrogen 2.448 N/A GLN 239.A NE2 ASP 235.A O no hydrogen 3.532 N/A