Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7pek_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE ASP 224.A OD1 no hydrogen 2.845 N/A ARG 1.A NH1 GLU 199.A O no hydrogen 2.961 N/A ARG 1.A NH1 GLU 199.A OE2 no hydrogen 3.191 N/A ARG 1.A NH2 HIS 221.A O no hydrogen 2.928 N/A LYS 2.A NZ VAL 32.A O no hydrogen 2.686 N/A PHE 4.A N ASP 224.A O no hydrogen 2.983 N/A VAL 5.A N GLU 36.A O no hydrogen 2.814 N/A GLY 6.A N PHE 226.A O no hydrogen 2.868 N/A GLY 7.A N VAL 38.A O no hydrogen 2.829 N/A ASN 8.A N VAL 228.A O no hydrogen 2.710 N/A PHE 9.A N PHE 40.A O no hydrogen 3.113 N/A LYS 10.A N ASN 8.A OD1 no hydrogen 3.023 N/A LYS 10.A NZ GLU 95.A OE2 no hydrogen 2.835 N/A ASN 12.A ND2 PHE 9.A O no hydrogen 2.930 N/A SER 14.A N SER 17.A OG no hydrogen 2.835 N/A SER 14.A OG SER 17.A OG no hydrogen 3.157 N/A SER 17.A N SER 14.A OG no hydrogen 3.069 N/A SER 17.A OG SER 14.A O no hydrogen 3.319 N/A SER 17.A OG SER 14.A OG no hydrogen 3.157 N/A MET 18.A N SER 14.A O no hydrogen 2.827 N/A LYS 19.A N LEU 15.A O no hydrogen 3.037 N/A THR 20.A N GLU 16.A O no hydrogen 3.311 N/A THR 20.A OG1 SER 17.A O no hydrogen 3.297 N/A ILE 21.A N SER 17.A O no hydrogen 2.987 N/A ILE 22.A N MET 18.A O no hydrogen 3.061 N/A GLU 23.A N LYS 19.A O no hydrogen 2.933 N/A GLY 24.A N THR 20.A O no hydrogen 2.805 N/A LEU 25.A N ILE 21.A O no hydrogen 3.192 N/A ASN 26.A N ILE 22.A O no hydrogen 2.822 N/A ASN 26.A ND2 GLU 23.A OE1 no hydrogen 3.302 N/A ASN 26.A ND2 GLN 52.A O no hydrogen 2.799 N/A THR 27.A N GLU 23.A O no hydrogen 3.177 N/A THR 27.A OG1 GLU 23.A O no hydrogen 3.113 N/A THR 27.A OG1 GLY 24.A O no hydrogen 3.514 N/A THR 28.A N LEU 25.A O no hydrogen 3.163 N/A THR 28.A OG1 GLY 24.A O no hydrogen 2.568 N/A ASP 34.A N ASN 31.A O no hydrogen 2.954 N/A VAL 35.A N ASN 31.A O no hydrogen 3.022 N/A GLU 36.A N PHE 3.A O no hydrogen 2.775 N/A VAL 38.A N VAL 5.A O no hydrogen 2.985 N/A ILE 39.A N GLY 58.A O no hydrogen 2.995 N/A PHE 40.A N GLY 7.A O no hydrogen 2.850 N/A GLN 42.A NE2 ASN 12.A O no hydrogen 3.116 N/A TYR 45.A N GLN 42.A O no hydrogen 2.884 N/A LEU 46.A N ASN 43.A O no hydrogen 3.157 N/A THR 48.A OG1 TYR 45.A O no hydrogen 3.436 N/A THR 49.A N TYR 45.A O no hydrogen 2.788 N/A THR 49.A OG1 TYR 45.A O no hydrogen 2.583 N/A ARG 50.A N LEU 46.A O no hydrogen 3.082 N/A ARG 50.A NE ARG 50.A O no hydrogen 2.906 N/A ARG 50.A NH1 ILE 57.A O no hydrogen 2.827 N/A ARG 50.A NH2 VAL 53.A O no hydrogen 3.034 N/A ARG 50.A NH2 LYS 54.A O no hydrogen 3.018 N/A ARG 50.A NH2 ILE 57.A O no hydrogen 2.979 N/A GLN 51.A N ILE 47.A O no hydrogen 2.856 N/A GLN 52.A N THR 48.A O no hydrogen 2.938 N/A VAL 53.A N THR 49.A O no hydrogen 2.885 N/A LYS 54.A N ASN 26.A OD1 no hydrogen 2.770 N/A LYS 54.A NZ LEU 25.A O no hydrogen 3.223 N/A LYS 54.A NZ ASN 26.A O no hydrogen 2.901 N/A LYS 54.A NZ THR 28.A O no hydrogen 2.632 N/A ILE 57.A N LYS 54.A O no hydrogen 2.980 N/A GLY 58.A N THR 37.A O no hydrogen 2.950 N/A GLY 60.A N ILE 39.A O no hydrogen 2.929 N/A ALA 61.A N TYR 88.A O no hydrogen 3.033 N/A GLN 62.A NE2 LYS 10.A O no hydrogen 2.843 N/A GLN 62.A NE2 PHE 40.A O no hydrogen 2.917 N/A PHE 65.A N ASN 76.A O no hydrogen 2.954 N/A ASN 69.A N GLN 79.A OE1 no hydrogen 2.912 N/A TYR 72.A N GLY 70.A O no hydrogen 2.988 N/A GLU 75.A N TYR 72.A O no hydrogen 3.127 N/A ASN 76.A ND2 ASN 43.A OD1 no hydrogen 2.860 N/A ASN 76.A ND2 ASN 63.A O no hydrogen 2.900 N/A SER 77.A OG ASN 69.A OD1 no hydrogen 2.793 N/A SER 77.A OG SER 80.A OG no hydrogen 3.317 N/A SER 80.A N SER 77.A OG no hydrogen 3.016 N/A SER 80.A OG ASN 69.A OD1 no hydrogen 3.322 N/A SER 80.A OG SER 77.A OG no hydrogen 3.317 N/A LEU 81.A N SER 77.A O no hydrogen 2.939 N/A ILE 82.A N ALA 78.A O no hydrogen 3.100 N/A ASP 83.A N GLN 79.A O no hydrogen 3.029 N/A ALA 84.A N SER 80.A O no hydrogen 3.233 N/A ALA 84.A N LEU 81.A O no hydrogen 3.232 N/A GLY 85.A N ILE 82.A O no hydrogen 3.050 N/A ILE 86.A N LEU 81.A O no hydrogen 2.854 N/A TYR 88.A N VAL 59.A O no hydrogen 3.353 N/A TYR 88.A OH GLU 36.A OE2 no hydrogen 2.430 N/A THR 89.A N THR 120.A O no hydrogen 2.996 N/A THR 89.A OG1 ALA 61.A O no hydrogen 3.362 N/A THR 89.A OG1 LEU 90.A O no hydrogen 2.914 N/A LEU 90.A N ALA 61.A O no hydrogen 2.855 N/A THR 91.A N VAL 122.A O no hydrogen 3.115 N/A THR 91.A OG1 THR 111.A OG1 no hydrogen 2.904 N/A GLU 95.A N HIS 93.A ND1 no hydrogen 3.068 N/A ARG 96.A N HIS 93.A O no hydrogen 2.800 N/A ARG 96.A NE GLU 102.A OE2 no hydrogen 2.887 N/A ARG 97.A N HIS 93.A O no hydrogen 2.990 N/A ARG 97.A NE GLY 92.A O no hydrogen 2.916 N/A ARG 97.A NE CYS 124.A O no hydrogen 3.450 N/A ARG 97.A NH1 ASP 104.A OD1 no hydrogen 2.926 N/A ARG 97.A NH2 CYS 124.A O no hydrogen 2.969 N/A THR 98.A N SER 94.A O no hydrogen 2.804 N/A THR 98.A OG1 SER 94.A O no hydrogen 3.052 N/A ILE 99.A N GLU 95.A O no hydrogen 3.016 N/A PHE 100.A N ARG 96.A O no hydrogen 3.143 N/A LYS 101.A NZ THR 98.A O no hydrogen 2.928 N/A GLU 102.A N ARG 96.A O no hydrogen 3.293 N/A GLU 105.A N GLU 105.A OE1 no hydrogen 2.736 N/A PHE 106.A N SER 103.A OG no hydrogen 2.962 N/A VAL 107.A N SER 103.A O no hydrogen 2.955 N/A ALA 108.A N ASP 104.A O no hydrogen 2.933 N/A ASP 109.A N GLU 105.A O no hydrogen 2.865 N/A LYS 110.A N PHE 106.A O no hydrogen 2.891 N/A LYS 110.A NZ ASN 63.A OD1 no hydrogen 2.534 N/A LYS 110.A NZ VAL 64.A O no hydrogen 3.130 N/A LYS 110.A NZ GLU 102.A OE1 no hydrogen 3.296 N/A LYS 110.A NZ GLU 102.A OE2 no hydrogen 2.862 N/A THR 111.A N VAL 107.A O no hydrogen 2.906 N/A THR 111.A OG1 THR 91.A OG1 no hydrogen 2.904 N/A THR 111.A OG1 VAL 107.A O no hydrogen 2.707 N/A LYS 112.A N ALA 108.A O no hydrogen 2.939 N/A PHE 113.A N ASP 109.A O no hydrogen 3.053 N/A ALA 114.A N LYS 110.A O no hydrogen 2.918 N/A LEU 115.A N THR 111.A O no hydrogen 2.953 N/A GLU 116.A N LYS 112.A O no hydrogen 2.899 N/A GLN 117.A N PHE 113.A O no hydrogen 2.965 N/A GLY 118.A N LEU 115.A O no hydrogen 3.038 N/A LEU 119.A N ALA 114.A O no hydrogen 2.986 N/A THR 120.A N THR 87.A O no hydrogen 2.937 N/A VAL 121.A N LYS 156.A O no hydrogen 2.952 N/A VAL 122.A N THR 89.A O no hydrogen 2.842 N/A ALA 123.A N VAL 158.A O no hydrogen 2.808 N/A CYS 124.A N THR 91.A O no hydrogen 2.855 N/A CYS 124.A SG VAL 122.A O no hydrogen 3.852 N/A ILE 125.A N ALA 160.A O no hydrogen 2.847 N/A GLY 126.A N GLN 143.A OE1 no hydrogen 2.881 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.887 N/A THR 128.A N GLU 131.A OE1 no hydrogen 2.841 N/A GLU 131.A N THR 128.A OG1 no hydrogen 3.019 N/A ARG 132.A N THR 128.A O no hydrogen 3.066 N/A ARG 132.A N LEU 129.A O no hydrogen 3.295 N/A GLU 133.A N ALA 130.A O no hydrogen 3.234 N/A ASN 135.A N GLU 131.A O no hydrogen 2.848 N/A VAL 139.A N ASN 135.A O no hydrogen 3.022 N/A VAL 140.A N THR 136.A O no hydrogen 3.143 N/A VAL 141.A N ILE 137.A O no hydrogen 3.031 N/A ARG 142.A N ASN 138.A O no hydrogen 3.080 N/A ARG 142.A NH1 ASP 104.A OD2 no hydrogen 3.455 N/A GLN 143.A N VAL 139.A O no hydrogen 2.962 N/A GLN 143.A NE2 GLY 126.A O no hydrogen 3.683 N/A LEU 144.A N VAL 140.A O no hydrogen 2.912 N/A ASN 145.A N VAL 141.A O no hydrogen 2.772 N/A ALA 146.A N ARG 142.A O no hydrogen 3.220 N/A ILE 147.A N GLN 143.A O no hydrogen 3.473 N/A ALA 148.A N LEU 144.A O no hydrogen 2.875 N/A ASP 149.A N ASN 145.A O no hydrogen 2.858 N/A LYS 150.A N ILE 147.A O no hydrogen 2.940 N/A LYS 150.A NZ ASP 109.A OD1 no hydrogen 2.935 N/A VAL 151.A N ILE 147.A O no hydrogen 2.866 N/A SER 155.A N ASN 153.A OD1 no hydrogen 2.887 N/A SER 155.A OG ASN 153.A OD1 no hydrogen 3.193 N/A LYS 156.A NZ GLY 118.A O no hydrogen 2.876 N/A ILE 157.A N TRP 154.A O no hydrogen 3.154 N/A VAL 158.A N VAL 121.A O no hydrogen 2.825 N/A ILE 159.A N ARG 202.A O no hydrogen 2.900 N/A ALA 160.A N ALA 123.A O no hydrogen 2.933 N/A TYR 161.A N ILE 204.A O no hydrogen 2.849 N/A TYR 161.A OH GLU 127.A OE1 no hydrogen 2.651 N/A TYR 161.A OH GLU 127.A OE2 no hydrogen 3.229 N/A GLU 162.A N ILE 125.A O no hydrogen 2.946 N/A VAL 164.A N GLU 127.A O no hydrogen 2.882 N/A TRP 165.A NE1 GLU 127.A OE2 no hydrogen 2.778 N/A ALA 166.A N PRO 163.A O no hydrogen 2.829 N/A ILE 167.A N VAL 164.A O no hydrogen 3.029 N/A THR 169.A OG1 TRP 165.A O no hydrogen 2.543 N/A GLY 170.A N SER 208.A OG no hydrogen 3.121 N/A THR 172.A N GLY 170.A O no hydrogen 3.056 N/A THR 172.A OG1 SER 208.A O no hydrogen 2.961 N/A ALA 173.A N TYR 205.A OH no hydrogen 2.885 N/A THR 174.A N GLN 177.A OE1 no hydrogen 2.808 N/A ALA 178.A N THR 174.A O no hydrogen 2.968 N/A GLN 179.A N PRO 175.A O no hydrogen 2.603 N/A GLN 179.A NE2 ASP 222.A OD1 no hydrogen 2.737 N/A GLU 180.A N GLU 176.A O no hydrogen 3.380 N/A VAL 181.A N GLN 177.A O no hydrogen 3.144 N/A HIS 182.A N ALA 178.A O no hydrogen 2.883 N/A HIS 182.A ND1 ASP 222.A O no hydrogen 3.093 N/A ALA 183.A N GLN 179.A O no hydrogen 2.733 N/A GLU 184.A N GLU 180.A O no hydrogen 2.988 N/A ILE 185.A N VAL 181.A O no hydrogen 2.832 N/A ARG 186.A N HIS 182.A O no hydrogen 2.786 N/A ARG 186.A NE ASP 222.A OD2 no hydrogen 2.579 N/A ARG 186.A NH1 ALA 198.A O no hydrogen 2.940 N/A ARG 186.A NH1 LEU 201.A O no hydrogen 2.759 N/A ARG 186.A NH2 ASP 222.A O no hydrogen 3.281 N/A ARG 186.A NH2 ASP 224.A OD2 no hydrogen 2.685 N/A LYS 187.A N ALA 183.A O no hydrogen 2.821 N/A LYS 187.A NZ GLU 184.A OE2 no hydrogen 2.568 N/A TRP 188.A N GLU 184.A O no hydrogen 2.830 N/A TRP 188.A NE1 ASN 145.A OD1 no hydrogen 2.748 N/A ALA 189.A N ILE 185.A O no hydrogen 2.901 N/A THR 190.A N ARG 186.A O no hydrogen 2.895 N/A THR 190.A OG1 ARG 186.A O no hydrogen 3.028 N/A ASN 191.A N LYS 187.A O no hydrogen 3.151 N/A LYS 192.A N TRP 188.A O no hydrogen 2.881 N/A LEU 193.A N ALA 189.A O no hydrogen 2.626 N/A GLY 194.A N THR 190.A O no hydrogen 2.902 N/A ALA 198.A N GLY 194.A O no hydrogen 2.948 N/A GLU 199.A N ALA 195.A O no hydrogen 2.860 N/A GLY 200.A N VAL 197.A O no hydrogen 3.147 N/A LEU 201.A N ALA 198.A O no hydrogen 3.242 N/A ARG 202.A NH1 LYS 2.A O no hydrogen 2.812 N/A ARG 202.A NH1 GLU 36.A OE1 no hydrogen 2.969 N/A ARG 202.A NH2 GLU 36.A OE1 no hydrogen 2.986 N/A VAL 203.A N ASP 224.A OD2 no hydrogen 2.878 N/A ILE 204.A N ILE 159.A O no hydrogen 2.741 N/A TYR 205.A N GLY 225.A O no hydrogen 2.893 N/A TYR 205.A OH GLY 207.A O no hydrogen 2.923 N/A GLY 206.A N TYR 161.A O no hydrogen 2.928 N/A SER 208.A OG ALA 166.A O no hydrogen 2.694 N/A ASN 210.A N ASN 213.A OD1 no hydrogen 2.889 N/A GLY 211.A N GLU 236.A OE1 no hydrogen 3.045 N/A GLY 212.A N ASN 210.A OD1 no hydrogen 2.998 N/A ASN 213.A N ASN 210.A O no hydrogen 3.198 N/A ASN 213.A N ASN 210.A OD1 no hydrogen 2.999 N/A ASN 213.A ND2 SER 208.A O no hydrogen 2.839 N/A PHE 217.A N ALA 214.A O no hydrogen 3.022 N/A LEU 218.A N LYS 215.A O no hydrogen 2.944 N/A PHE 220.A N PHE 217.A O no hydrogen 3.152 N/A ASP 222.A N GLN 179.A OE1 no hydrogen 2.908 N/A ILE 223.A N PHE 220.A O no hydrogen 3.348 N/A ASP 224.A N VAL 203.A O no hydrogen 2.847 N/A PHE 226.A N PHE 4.A O no hydrogen 2.942 N/A LEU 227.A N TYR 205.A O no hydrogen 2.935 N/A VAL 228.A N GLY 6.A O no hydrogen 2.783 N/A SER 232.A N GLY 229.A O no hydrogen 2.827 N/A SER 232.A OG ASN 8.A O no hydrogen 3.279 N/A SER 232.A OG GLY 229.A O no hydrogen 2.706 N/A LEU 233.A N GLY 230.A O no hydrogen 3.179 N/A LYS 234.A N ALA 231.A O no hydrogen 3.036 N/A PHE 237.A N LYS 234.A O no hydrogen 3.124 N/A HIS 238.A N PRO 235.A O no hydrogen 2.894 N/A ASN 239.A N GLU 236.A O no hydrogen 2.842 N/A ILE 240.A N GLU 236.A O no hydrogen 3.314 N/A VAL 241.A N PHE 237.A O no hydrogen 2.954 N/A ASN 242.A N ASN 239.A O no hydrogen 2.928 N/A HIS 244.A ND1 ASP 34.A OD2 no hydrogen 2.662 N/A SER 245.A N ASN 242.A O no hydrogen 2.899 N/A SER 245.A OG ASP 34.A OD2 no hydrogen 2.660 N/A LEU 246.A N VAL 243.A O no hydrogen 3.488 N/A