Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8peh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N LEU 77.A O no hydrogen 3.053 N/A PHE 7.A N TYR 79.A O no hydrogen 2.732 N/A LEU 9.A N GLU 82.A OE1 no hydrogen 3.233 N/A TYR 11.A N THR 8.A OG1 no hydrogen 2.991 N/A TYR 11.A OH ASN 37.A OD1 no hydrogen 3.292 N/A ILE 12.A N THR 8.A O no hydrogen 3.125 N/A GLU 13.A N LEU 9.A O no hydrogen 2.885 N/A VAL 14.A N GLU 10.A O no hydrogen 2.984 N/A ALA 15.A N TYR 11.A O no hydrogen 2.842 N/A THR 16.A N ILE 12.A O no hydrogen 2.993 N/A THR 16.A OG1 ILE 12.A O no hydrogen 2.769 N/A THR 16.A OG1 GLU 13.A O no hydrogen 3.348 N/A GLU 17.A N VAL 14.A O no hydrogen 2.930 N/A ARG 18.A N GLU 13.A O no hydrogen 2.654 N/A TYR 19.A N THR 16.A OG1 no hydrogen 2.962 N/A LYS 20.A N THR 16.A O no hydrogen 3.130 N/A LYS 20.A NZ GLU 17.A OE1 no hydrogen 3.256 N/A ILE 23.A N VAL 31.A O no hydrogen 2.628 N/A GLY 24.A N VAL 31.A O no hydrogen 3.385 N/A GLY 29.A N GLY 26.A O no hydrogen 3.259 N/A SER 30.A N VAL 46.A O no hydrogen 3.066 N/A VAL 31.A N GLY 24.A O no hydrogen 2.758 N/A TYR 32.A N VAL 44.A O no hydrogen 2.778 N/A ARG 33.A N THR 21.A O no hydrogen 3.070 N/A ARG 33.A NE GLU 41.A OE2 no hydrogen 2.894 N/A GLY 34.A N VAL 42.A O no hydrogen 2.928 N/A THR 35.A N ALA 15.A O no hydrogen 3.024 N/A THR 35.A OG1 GLU 41.A OE1 no hydrogen 3.082 N/A THR 35.A OG1 GLU 41.A OE2 no hydrogen 3.407 N/A LEU 36.A N GLN 40.A O no hydrogen 2.897 N/A ASN 37.A N TYR 11.A OH no hydrogen 3.080 N/A GLY 39.A N LEU 36.A O no hydrogen 2.863 N/A GLN 40.A N ASP 38.A OD1 no hydrogen 3.013 N/A VAL 42.A N GLY 34.A O no hydrogen 2.859 N/A ALA 43.A N TYR 90.A O no hydrogen 2.722 N/A VAL 44.A N TYR 32.A O no hydrogen 2.670 N/A LYS 45.A N LEU 88.A O no hydrogen 2.788 N/A LYS 45.A NZ ASN 160.A OD1 no hydrogen 2.747 N/A VAL 46.A N SER 30.A O no hydrogen 2.809 N/A ARG 47.A N GLN 86.A O no hydrogen 2.998 N/A ARG 47.A NH1 GLU 61.A OE1 no hydrogen 2.835 N/A ARG 47.A NH1 GLN 86.A OE1 no hydrogen 3.441 N/A ARG 47.A NH2 GLU 61.A OE1 no hydrogen 3.166 N/A ARG 47.A NH2 GLU 61.A OE2 no hydrogen 2.309 N/A SER 48.A N PHE 28.A O no hydrogen 2.925 N/A SER 48.A OG GLY 27.A O no hydrogen 2.623 N/A SER 48.A OG THR 50.A OG1 no hydrogen 3.290 N/A SER 48.A OG SER 51.A OG no hydrogen 3.196 N/A THR 50.A OG1 SER 48.A OG no hydrogen 3.290 N/A SER 51.A N SER 48.A O no hydrogen 2.854 N/A SER 51.A OG PHE 28.A O no hydrogen 3.303 N/A SER 51.A OG SER 48.A OG no hydrogen 3.196 N/A THR 52.A N ALA 49.A O no hydrogen 3.200 N/A THR 52.A OG1 ALA 49.A O no hydrogen 2.710 N/A PHE 58.A N GLY 54.A O no hydrogen 2.936 N/A ASP 59.A N THR 55.A O no hydrogen 2.936 N/A ASN 60.A N ARG 56.A O no hydrogen 3.027 N/A GLU 61.A N GLU 57.A O no hydrogen 3.007 N/A LEU 62.A N PHE 58.A O no hydrogen 2.889 N/A ASN 63.A N ASP 59.A O no hydrogen 2.882 N/A LEU 64.A N ASN 60.A O no hydrogen 2.855 N/A LEU 65.A N GLU 61.A O no hydrogen 2.750 N/A SER 66.A N LEU 62.A O no hydrogen 2.828 N/A SER 66.A OG LEU 62.A O no hydrogen 2.887 N/A SER 66.A OG ASN 63.A O no hydrogen 3.073 N/A ALA 67.A N LEU 64.A O no hydrogen 2.901 N/A ILE 68.A N LEU 65.A O no hydrogen 3.450 N/A GLN 69.A N.A TYR 130.A OH no hydrogen 3.209 N/A GLN 69.A N.B TYR 130.A OH no hydrogen 3.212 N/A ASN 72.A N HIS 70.A ND1 no hydrogen 2.952 N/A ASN 72.A ND2 ALA 156.A O no hydrogen 2.878 N/A LEU 73.A N HIS 70.A O no hydrogen 3.180 N/A VAL 74.A N VAL 158.A O no hydrogen 3.008 N/A LEU 77.A N VAL 89.A O no hydrogen 2.829 N/A GLY 78.A N VAL 89.A O no hydrogen 3.303 N/A TYR 79.A N GLN 5.A O no hydrogen 2.857 N/A CYS 80.A N ILE 87.A O no hydrogen 2.820 N/A CYS 80.A SG PHE 7.A O no hydrogen 3.196 N/A GLU 82.A N GLN 85.A O no hydrogen 3.092 N/A GLN 85.A N GLU 82.A O no hydrogen 2.890 N/A GLN 86.A NE2 GLN 53.A O no hydrogen 2.592 N/A ILE 87.A N CYS 80.A O no hydrogen 2.821 N/A LEU 88.A N LYS 45.A O no hydrogen 2.866 N/A VAL 89.A N GLY 78.A O no hydrogen 2.983 N/A TYR 90.A N ALA 43.A O no hydrogen 2.929 N/A PHE 92.A N GLU 41.A O no hydrogen 2.984 N/A ASN 95.A N LEU 151.A O no hydrogen 3.177 N/A ASN 95.A ND2 ASP 152.A O no hydrogen 2.659 N/A ASN 95.A ND2 HIS 153.A O no hydrogen 3.248 N/A GLY 96.A N MET 93.A O no hydrogen 3.183 N/A LEU 98.A N ILE 149.A O no hydrogen 2.730 N/A GLN 99.A N SER 146.A O no hydrogen 3.155 N/A ASP 100.A N SER 97.A OG no hydrogen 3.023 N/A ARG 101.A N SER 97.A O no hydrogen 3.272 N/A ARG 101.A N LEU 98.A O no hydrogen 3.116 N/A ARG 101.A NE ASN 95.A O no hydrogen 2.867 N/A ARG 101.A NH2 ASN 95.A O no hydrogen 3.363 N/A LEU 102.A N LEU 98.A O no hydrogen 3.004 N/A LEU 102.A N GLN 99.A O no hydrogen 3.164 N/A TYR 103.A N GLN 99.A O no hydrogen 3.070 N/A TYR 103.A OH GLN 99.A OE1 no hydrogen 3.336 N/A TYR 103.A OH GLU 195.A OE1 no hydrogen 2.873 N/A GLY 104.A N ASP 100.A O no hydrogen 2.985 N/A LYS 108.A N GLU 105.A O no hydrogen 3.027 N/A ARG 109.A N PRO 106.A O no hydrogen 2.862 N/A LYS 110.A N PRO 106.A O no hydrogen 3.020 N/A TRP 114.A NE1 GLU 279.A OE1 no hydrogen 2.954 N/A THR 116.A N ASP 113.A OD1 no hydrogen 2.938 N/A THR 116.A OG1 ASP 113.A OD1 no hydrogen 2.665 N/A ARG 117.A N ASP 113.A O no hydrogen 3.026 N/A ARG 117.A NE LEU 112.A O no hydrogen 2.642 N/A ARG 117.A NH1 ILE 196.A O no hydrogen 2.862 N/A ARG 117.A NH1 ASP 232.A OD2 no hydrogen 3.039 N/A ARG 117.A NH2 LEU 112.A O no hydrogen 2.984 N/A ARG 117.A NH2 ASP 232.A OD2 no hydrogen 2.986 N/A LEU 118.A N TRP 114.A O no hydrogen 2.921 N/A SER 119.A N PRO 115.A O no hydrogen 3.074 N/A ILE 120.A N THR 116.A O no hydrogen 2.863 N/A ALA 121.A N ARG 117.A O no hydrogen 2.817 N/A LEU 122.A N LEU 118.A O no hydrogen 2.924 N/A GLY 123.A N SER 119.A O no hydrogen 2.998 N/A ALA 124.A N ILE 120.A O no hydrogen 2.910 N/A ALA 125.A N ALA 121.A O no hydrogen 2.945 N/A ARG 126.A N LEU 122.A O no hydrogen 2.942 N/A ARG 126.A NH2 GLU 273.A OE2 no hydrogen 2.704 N/A GLY 127.A N GLY 123.A O no hydrogen 2.997 N/A LEU 128.A N ALA 124.A O no hydrogen 2.987 N/A ALA 129.A N ALA 125.A O no hydrogen 2.776 N/A TYR 130.A N ARG 126.A O no hydrogen 2.962 N/A LEU 131.A N GLY 127.A O no hydrogen 3.134 N/A HIS 132.A N LEU 128.A O no hydrogen 2.968 N/A HIS 132.A NE2 ASP 185.A OD2 no hydrogen 2.781 N/A THR 133.A N ALA 129.A O no hydrogen 2.947 N/A THR 133.A OG1 ALA 129.A O no hydrogen 2.859 N/A THR 133.A OG1 TYR 130.A O no hydrogen 3.545 N/A PHE 134.A N LEU 131.A O no hydrogen 3.274 N/A SER 138.A OG HIS 132.A O no hydrogen 3.036 N/A VAL 139.A N LEU 131.A O no hydrogen 2.936 N/A HIS 141.A N ASP 185.A OD2 no hydrogen 2.703 N/A HIS 141.A NE2 ALA 159.A O no hydrogen 2.797 N/A ARG 142.A N ASP 185.A OD1 no hydrogen 2.872 N/A ASP 143.A N HIS 141.A ND1 no hydrogen 3.161 N/A LYS 145.A NZ ASP 143.A OD2 no hydrogen 3.219 N/A LYS 145.A NZ THR 166.A OG1 no hydrogen 3.077 N/A SER 146.A N TYR 169.A OH no hydrogen 3.333 N/A SER 146.A OG TYR 169.A OH no hydrogen 3.325 N/A SER 146.A OG GLU 195.A OE1 no hydrogen 2.735 N/A ASN 148.A N LYS 145.A O no hydrogen 2.934 N/A ASN 148.A ND2 ASP 143.A O no hydrogen 2.828 N/A ILE 149.A N SER 146.A O no hydrogen 3.475 N/A LEU 150.A N LYS 157.A O no hydrogen 2.877 N/A LEU 151.A N GLY 96.A O no hydrogen 2.915 N/A SER 154.A N ASP 152.A OD1 no hydrogen 2.987 N/A MET 155.A N ASP 152.A O no hydrogen 2.917 N/A LYS 157.A N LEU 150.A O no hydrogen 2.689 N/A LYS 157.A NZ GLU 71.A O no hydrogen 3.115 N/A LYS 157.A NZ ASP 152.A OD2 no hydrogen 3.255 N/A VAL 158.A N ASN 72.A O no hydrogen 2.892 N/A ALA 159.A N ASN 148.A O no hydrogen 2.779 N/A ASN 160.A ND2 ASN 148.A OD1 no hydrogen 2.695 N/A THR 166.A OG1 ASP 143.A OD1 no hydrogen 2.820 N/A THR 166.A OG1 ASP 143.A OD2 no hydrogen 3.519 N/A TYR 169.A N THR 166.A O no hydrogen 2.947 N/A TYR 169.A OH GLU 195.A OE1 no hydrogen 3.087 N/A TYR 169.A OH GLU 195.A OE2 no hydrogen 2.480 N/A GLU 173.A N ASP 171.A OD1 no hydrogen 2.936 N/A TYR 174.A N ASP 171.A O no hydrogen 2.825 N/A TYR 175.A N PRO 172.A O no hydrogen 3.282 N/A LYS 176.A N GLU 173.A O no hydrogen 3.121 N/A LYS 176.A NZ PRO 172.A O no hydrogen 3.240 N/A THR 177.A N GLU 173.A O no hydrogen 3.196 N/A THR 177.A OG1 GLU 173.A O no hydrogen 3.170 N/A THR 177.A OG1 GLN 179.A O no hydrogen 3.317 N/A GLN 178.A N TYR 174.A O no hydrogen 2.733 N/A GLN 179.A N THR 177.A OG1 no hydrogen 3.241 N/A SER 181.A N SER 184.A OG no hydrogen 2.891 N/A LYS 183.A NZ SER 259.A O no hydrogen 3.433 N/A LYS 183.A NZ ARG 262.A O no hydrogen 2.980 N/A SER 184.A N SER 181.A O no hydrogen 2.777 N/A SER 184.A OG ASP 171.A OD2 no hydrogen 2.797 N/A VAL 186.A N GLU 182.A O no hydrogen 3.403 N/A PHE 187.A N LYS 183.A O no hydrogen 3.188 N/A SER 188.A N SER 184.A O no hydrogen 3.217 N/A SER 188.A OG TYR 169.A O no hydrogen 2.573 N/A SER 188.A OG SER 184.A O no hydrogen 3.402 N/A PHE 189.A N ASP 185.A O no hydrogen 2.904 N/A GLY 190.A N VAL 186.A O no hydrogen 2.934 N/A VAL 191.A N PHE 187.A O no hydrogen 3.223 N/A VAL 192.A N SER 188.A O no hydrogen 3.009 N/A LEU 193.A N PHE 189.A O no hydrogen 2.819 N/A LEU 194.A N GLY 190.A O no hydrogen 3.188 N/A GLU 195.A N VAL 191.A O no hydrogen 2.993 N/A ILE 196.A N VAL 192.A O no hydrogen 2.943 N/A VAL 197.A N LEU 193.A O no hydrogen 2.922 N/A SER 198.A N LEU 194.A O no hydrogen 2.831 N/A SER 198.A OG LEU 194.A O no hydrogen 2.716 N/A GLY 199.A N GLU 195.A O no hydrogen 2.701 N/A ARG 200.A N SER 198.A OG no hydrogen 3.014 N/A ARG 200.A NH1 GLU 211.A OE1 no hydrogen 3.130 N/A ASN 204.A N TRP 212.A O no hydrogen 2.994 N/A LYS 206.A N ASN 204.A OD1 no hydrogen 3.117 N/A ARG 207.A N ASN 204.A O no hydrogen 3.255 N/A GLU 211.A N PRO 208.A O no hydrogen 2.771 N/A TRP 212.A N ARG 209.A O no hydrogen 3.070 N/A SER 213.A OG GLU 216.A OE1 no hydrogen 2.237 N/A LEU 214.A N PRO 202.A O no hydrogen 2.812 N/A TRP 217.A N SER 213.A O no hydrogen 2.904 N/A ALA 218.A N LEU 214.A O no hydrogen 2.825 N/A THR 219.A N VAL 215.A O no hydrogen 3.103 N/A THR 219.A OG1 VAL 215.A O no hydrogen 2.800 N/A TYR 221.A N ALA 218.A O no hydrogen 2.923 N/A ILE 222.A N ALA 218.A O no hydrogen 3.174 N/A ARG 223.A N THR 219.A O no hydrogen 2.966 N/A GLY 224.A N PRO 220.A O no hydrogen 2.984 N/A LYS 226.A N TYR 221.A O no hydrogen 2.952 N/A GLU 229.A N LYS 226.A O no hydrogen 3.114 N/A ILE 230.A N VAL 227.A O no hydrogen 2.964 N/A ASP 232.A N VAL 197.A O no hydrogen 3.017 N/A GLY 234.A N ASP 232.A OD1 no hydrogen 2.778 N/A ILE 235.A N ASP 232.A O no hydrogen 2.990 N/A LYS 236.A N PRO 233.A O no hydrogen 3.384 N/A LYS 236.A NZ ASP 228.A O no hydrogen 3.197 N/A GLY 238.A N ILE 235.A O no hydrogen 2.861 N/A TYR 239.A OH ASP 228.A OD1 no hydrogen 2.594 N/A HIS 240.A N GLU 279.A OE1 no hydrogen 2.674 N/A GLU 242.A N HIS 240.A ND1 no hydrogen 3.044 N/A MET 244.A N HIS 240.A O no hydrogen 3.082 N/A TRP 245.A N ALA 241.A O no hydrogen 3.010 N/A ARG 246.A N GLU 242.A O no hydrogen 3.012 N/A ARG 246.A NE GLU 242.A OE2 no hydrogen 2.783 N/A ARG 246.A NH2 GLU 242.A OE2 no hydrogen 2.980 N/A VAL 247.A N ALA 243.A O no hydrogen 3.115 N/A VAL 248.A N MET 244.A O no hydrogen 3.001 N/A GLU 249.A N TRP 245.A O no hydrogen 3.022 N/A VAL 250.A N ARG 246.A O no hydrogen 3.040 N/A ALA 251.A N VAL 247.A O no hydrogen 2.983 N/A LEU 252.A N VAL 248.A O no hydrogen 2.988 N/A GLN 253.A N GLU 249.A O no hydrogen 3.155 N/A GLN 253.A NE2.B TYR 261.A O no hydrogen 3.264 N/A CYS 254.A N VAL 250.A O no hydrogen 2.984 N/A CYS 254.A SG VAL 250.A O no hydrogen 3.408 N/A LEU 255.A N ALA 251.A O no hydrogen 3.013 N/A LEU 255.A N LEU 252.A O no hydrogen 3.214 N/A GLU 256.A N GLN 253.A O no hydrogen 3.269 N/A SER 259.A N GLU 173.A OE1 no hydrogen 2.909 N/A SER 259.A OG GLU 173.A OE1 no hydrogen 3.254 N/A TYR 261.A N PHE 258.A O no hydrogen 3.172 N/A ARG 262.A N SER 259.A O no hydrogen 3.186 N/A ARG 262.A NE GLU 256.A O no hydrogen 2.723 N/A ARG 262.A NH1 ASP 171.A OD1 no hydrogen 3.386 N/A ARG 262.A NH1 ASP 171.A OD2 no hydrogen 3.085 N/A ARG 262.A NH1 LYS 183.A O no hydrogen 2.832 N/A ARG 262.A NH2 ASP 171.A OD1 no hydrogen 2.710 N/A ARG 262.A NH2 GLU 256.A O no hydrogen 2.929 N/A ALA 267.A N SER 264.A OG no hydrogen 3.072 N/A ILE 268.A N SER 264.A O no hydrogen 3.035 N/A VAL 269.A N MET 265.A O no hydrogen 2.829 N/A ARG 270.A N VAL 266.A O no hydrogen 3.200 N/A GLU 271.A N ALA 267.A O no hydrogen 3.204 N/A LEU 272.A N ILE 268.A O no hydrogen 2.968 N/A GLU 273.A N VAL 269.A O no hydrogen 2.887 N/A ASP 274.A N ARG 270.A O no hydrogen 3.068 N/A ALA 275.A N GLU 271.A O no hydrogen 2.937 N/A LEU 276.A N LEU 272.A O no hydrogen 2.854 N/A ILE 277.A N GLU 273.A O no hydrogen 2.995 N/A ILE 278.A N ASP 274.A O no hydrogen 2.995 N/A GLU 279.A N ALA 275.A O no hydrogen 2.959 N/A ASN 280.A N LEU 276.A O no hydrogen 3.017 N/A ASN 281.A N ILE 278.A O no hydrogen 3.205 N/A