Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pkd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 VAL 118.A O no hydrogen 3.037 N/A ARG 1.A NH1 ASP 123.A OD2 no hydrogen 2.699 N/A LEU 4.A N GLU 107.A OE2 no hydrogen 2.870 N/A GLY 7.A N ASP 115.A OD2 no hydrogen 2.783 N/A VAL 8.A N SER 116.A OG no hydrogen 2.830 N/A SER 10.A OG ASP 72.A OD1 no hydrogen 2.701 N/A ARG 13.A NH2 ASP 72.A OD2 no hydrogen 3.145 N/A ILE 19.A N PRO 16.A O no hydrogen 3.072 N/A ARG 21.A NH1 PRO 16.A O no hydrogen 2.938 N/A ARG 21.A NH1 ILE 19.A O no hydrogen 2.775 N/A ARG 21.A NH2 VAL 15.A O no hydrogen 2.899 N/A TYR 24.A OH SER 90.A O no hydrogen 2.612 N/A VAL 25.A N PRO 22.A O no hydrogen 3.202 N/A LYS 27.A N TYR 24.A O no hydrogen 3.061 N/A LYS 27.A NZ GLU 23.A O no hydrogen 3.187 N/A LYS 27.A NZ GLU 23.A OE2 no hydrogen 3.046 N/A GLN 31.A N GLU 23.A OE1 no hydrogen 2.721 N/A GLY 33.A N GLU 35.A OE1 no hydrogen 2.878 N/A SER 34.A N GLU 35.A OE2 no hydrogen 3.417 N/A GLN 39.A N GLY 229.A O no hydrogen 2.903 N/A GLN 39.A NE2 PRO 36.A O no hydrogen 3.083 N/A GLN 39.A NE2 TRP 37.A O no hydrogen 3.237 N/A GLN 39.A NE2 THR 231.A OG1 no hydrogen 3.319 N/A GLU 42.A N GLU 42.A OE1 no hydrogen 2.863 N/A VAL 43.A N THR 40.A OG1 no hydrogen 3.104 N/A ILE 44.A N THR 40.A O no hydrogen 2.921 N/A GLU 45.A N PRO 41.A O no hydrogen 3.012 N/A LYS 46.A N GLU 42.A O no hydrogen 3.126 N/A LYS 46.A NZ GLY 134.A O no hydrogen 2.745 N/A MET 47.A N VAL 43.A O no hydrogen 2.755 N/A ARG 48.A N ILE 44.A O no hydrogen 3.046 N/A ARG 48.A N GLU 45.A O no hydrogen 3.275 N/A ARG 48.A NE GLU 277.A OE2 no hydrogen 3.075 N/A ARG 48.A NH2 GLU 277.A OE1 no hydrogen 2.971 N/A ALA 50.A N LYS 46.A O no hydrogen 3.046 N/A GLY 51.A N MET 47.A O no hydrogen 2.792 N/A ARG 52.A N ARG 48.A O no hydrogen 3.022 N/A ILE 53.A N VAL 49.A O no hydrogen 3.033 N/A ALA 54.A N ALA 50.A O no hydrogen 3.005 N/A ALA 55.A N GLY 51.A O no hydrogen 2.936 N/A GLY 56.A N ARG 52.A O no hydrogen 2.942 N/A ALA 57.A N ILE 53.A O no hydrogen 2.906 N/A LEU 58.A N ALA 54.A O no hydrogen 2.957 N/A ALA 59.A N ALA 55.A O no hydrogen 2.954 N/A GLU 60.A N GLY 56.A O no hydrogen 2.885 N/A ALA 61.A N ALA 57.A O no hydrogen 2.952 N/A GLY 62.A N LEU 58.A O no hydrogen 2.817 N/A LYS 63.A N ALA 59.A O no hydrogen 3.061 N/A LYS 63.A NZ GLU 60.A OE1 no hydrogen 3.118 N/A ALA 64.A N ALA 61.A O no hydrogen 2.923 N/A VAL 65.A N GLY 62.A O no hydrogen 3.057 N/A GLY 68.A N ILE 119.A O no hydrogen 2.771 N/A VAL 69.A N ALA 66.A O no hydrogen 3.204 N/A THR 71.A N THR 117.A O no hydrogen 3.005 N/A THR 71.A OG1 ASP 115.A O no hydrogen 3.166 N/A ASP 72.A N ASP 115.A O no hydrogen 2.871 N/A GLU 73.A N THR 70.A OG1 no hydrogen 3.021 N/A LEU 74.A N THR 70.A O no hydrogen 3.335 N/A ASP 75.A N THR 71.A O no hydrogen 3.084 N/A ARG 76.A N ASP 72.A O no hydrogen 2.917 N/A ARG 76.A NE GLU 73.A OE1 no hydrogen 2.837 N/A ARG 76.A NH1 GLU 73.A OE2 no hydrogen 2.852 N/A ARG 76.A NH2 GLU 80.A OE2 no hydrogen 3.207 N/A ILE 77.A N GLU 73.A O no hydrogen 2.989 N/A ALA 78.A N LEU 74.A O no hydrogen 2.876 N/A HIS 79.A N ASP 75.A O no hydrogen 2.830 N/A HIS 79.A ND1 SER 100.A OG no hydrogen 2.711 N/A HIS 79.A NE2 PRO 14.A O no hydrogen 2.862 N/A GLU 80.A N ARG 76.A O no hydrogen 2.873 N/A TYR 81.A N ILE 77.A O no hydrogen 3.024 N/A LEU 82.A N ALA 78.A O no hydrogen 2.970 N/A VAL 83.A N HIS 79.A O no hydrogen 2.942 N/A ASP 84.A N GLU 80.A O no hydrogen 2.809 N/A ASN 85.A N TYR 81.A O no hydrogen 3.143 N/A ASN 85.A N LEU 82.A O no hydrogen 3.035 N/A ASN 85.A ND2 TYR 81.A O no hydrogen 2.833 N/A GLY 86.A N VAL 83.A O no hydrogen 2.971 N/A ALA 87.A N LEU 82.A O no hydrogen 2.940 N/A TYR 88.A N TYR 132.A O no hydrogen 2.886 N/A TYR 88.A OH LEU 92.A O no hydrogen 2.678 N/A SER 90.A N THR 130.A O no hydrogen 2.963 N/A SER 90.A OG HIS 137.A ND1 no hydrogen 2.770 N/A THR 91.A OG1 LYS 99.A O no hydrogen 2.837 N/A LEU 92.A N PRO 89.A O no hydrogen 2.905 N/A GLY 93.A N PHE 97.A O no hydrogen 2.844 N/A TYR 94.A N THR 91.A O no hydrogen 3.017 N/A TYR 94.A OH GLU 32.A OE2 no hydrogen 2.576 N/A PHE 97.A N TYR 94.A O no hydrogen 2.889 N/A LYS 99.A NZ SER 10.A O no hydrogen 2.946 N/A LYS 99.A NZ SER 10.A OG no hydrogen 3.100 N/A LYS 99.A NZ PRO 11.A O no hydrogen 3.036 N/A SER 100.A N ASP 75.A OD1 no hydrogen 2.773 N/A SER 100.A OG HIS 79.A ND1 no hydrogen 2.711 N/A CYS 101.A SG ASP 75.A OD1 no hydrogen 3.590 N/A CYS 102.A N ASP 128.A O no hydrogen 2.968 N/A THR 103.A N GLY 112.A O no hydrogen 2.978 N/A SER 104.A N ASN 126.A O no hydrogen 2.848 N/A ASN 106.A N ILE 124.A O no hydrogen 2.955 N/A ASN 106.A ND2 ASP 123.A OD1 no hydrogen 3.049 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.821 N/A VAL 108.A N LEU 105.A O no hydrogen 2.792 N/A ILE 109.A N VAL 254.A O no hydrogen 2.742 N/A GLY 112.A N SER 104.A OG no hydrogen 3.223 N/A ASP 115.A N THR 71.A OG1 no hydrogen 2.921 N/A SER 116.A N VAL 8.A O no hydrogen 2.975 N/A THR 117.A N ASP 115.A OD1 no hydrogen 2.945 N/A THR 117.A OG1 ASP 115.A OD1 no hydrogen 2.625 N/A THR 117.A OG1 ASP 115.A OD2 no hydrogen 3.421 N/A ILE 119.A N VAL 69.A O no hydrogen 2.842 N/A THR 120.A N ASP 123.A OD2 no hydrogen 2.814 N/A GLY 122.A N ALA 146.A O no hydrogen 2.799 N/A ASP 123.A N THR 120.A O no hydrogen 3.171 N/A ILE 124.A N ASN 106.A OD1 no hydrogen 3.001 N/A VAL 125.A N PHE 144.A O no hydrogen 2.893 N/A ASN 126.A N SER 104.A O no hydrogen 2.871 N/A ASN 126.A ND2 ASN 141.A OD1 no hydrogen 2.973 N/A ASN 126.A ND2 THR 143.A OG1 no hydrogen 3.242 N/A ASN 126.A ND2 GLN 264.A O no hydrogen 2.937 N/A ILE 127.A N ALA 142.A O no hydrogen 2.983 N/A ASP 128.A N CYS 102.A O no hydrogen 2.865 N/A VAL 129.A N THR 140.A O no hydrogen 2.918 N/A THR 130.A OG1 ASP 139.A OD2 no hydrogen 2.924 N/A ALA 131.A N GLY 138.A O no hydrogen 2.886 N/A TYR 132.A N TYR 88.A O no hydrogen 2.867 N/A ILE 133.A N VAL 136.A O no hydrogen 2.998 N/A VAL 136.A N ILE 133.A O no hydrogen 3.229 N/A HIS 137.A N GLY 205.A O no hydrogen 2.967 N/A HIS 137.A ND1 SER 90.A OG no hydrogen 2.770 N/A GLY 138.A N ALA 131.A O no hydrogen 2.922 N/A ASP 139.A N THR 268.A OG1 no hydrogen 3.001 N/A THR 140.A N VAL 129.A O no hydrogen 3.111 N/A THR 140.A OG1 GLU 266.A O no hydrogen 2.848 N/A ASN 141.A N GLU 266.A O no hydrogen 3.137 N/A ASN 141.A ND2 ASP 128.A OD2 no hydrogen 2.931 N/A ALA 142.A N ILE 127.A O no hydrogen 3.160 N/A THR 143.A OG1 GLN 264.A O no hydrogen 2.704 N/A PHE 144.A N VAL 125.A O no hydrogen 2.806 N/A ALA 146.A N ASP 123.A O no hydrogen 2.854 N/A ASP 148.A N ASP 121.A OD1 no hydrogen 2.931 N/A ARG 154.A N ALA 150.A O no hydrogen 2.903 N/A ARG 154.A NE VAL 149.A O no hydrogen 2.810 N/A ARG 154.A NH2 VAL 149.A O no hydrogen 3.049 N/A ARG 154.A NH2 ASP 151.A OD1 no hydrogen 2.195 N/A LEU 155.A N ASP 151.A O no hydrogen 2.919 N/A LEU 156.A N GLU 152.A O no hydrogen 3.085 N/A VAL 157.A N HIS 153.A O no hydrogen 3.039 N/A ASP 158.A N ARG 154.A O no hydrogen 2.953 N/A ARG 159.A N LEU 155.A O no hydrogen 2.802 N/A ARG 159.A NH1 TYR 193.A OH no hydrogen 3.033 N/A THR 160.A N LEU 156.A O no hydrogen 2.903 N/A THR 160.A OG1 LEU 156.A O no hydrogen 2.812 N/A ARG 161.A N VAL 157.A O no hydrogen 3.035 N/A GLU 162.A N ASP 158.A O no hydrogen 2.924 N/A ALA 163.A N ARG 159.A O no hydrogen 2.802 N/A THR 164.A N THR 160.A O no hydrogen 2.988 N/A THR 164.A OG1 THR 160.A O no hydrogen 2.895 N/A MET 165.A N ARG 161.A O no hydrogen 2.914 N/A ARG 166.A N GLU 162.A O no hydrogen 2.852 N/A ARG 166.A NE GLU 162.A OE2 no hydrogen 2.833 N/A ALA 167.A N ALA 163.A O no hydrogen 2.995 N/A ILE 168.A N THR 164.A O no hydrogen 2.929 N/A ASN 169.A N MET 165.A O no hydrogen 2.985 N/A ASN 169.A ND2 MET 165.A O no hydrogen 2.946 N/A THR 170.A N ALA 167.A O no hydrogen 3.055 N/A THR 170.A OG1 ALA 167.A O no hydrogen 2.818 N/A VAL 171.A N ILE 168.A O no hydrogen 3.038 N/A GLY 174.A N MET 226.A O no hydrogen 2.805 N/A ARG 175.A N LYS 172.A O no hydrogen 3.098 N/A ARG 175.A NE THR 170.A O no hydrogen 2.776 N/A LEU 177.A N THR 224.A O no hydrogen 2.822 N/A VAL 179.A N ALA 176.A O no hydrogen 2.976 N/A ILE 180.A N LEU 177.A O no hydrogen 3.096 N/A ARG 182.A N SER 178.A O no hydrogen 3.138 N/A ARG 182.A NH1 ASP 218.A OD2 no hydrogen 3.200 N/A VAL 183.A N VAL 179.A O no hydrogen 2.883 N/A ILE 184.A N ILE 180.A O no hydrogen 3.041 N/A GLU 185.A N GLY 181.A O no hydrogen 2.931 N/A SER 186.A N ARG 182.A O no hydrogen 2.930 N/A SER 186.A OG ARG 182.A O no hydrogen 2.722 N/A SER 186.A OG VAL 183.A O no hydrogen 3.354 N/A TYR 187.A N VAL 183.A O no hydrogen 3.158 N/A ALA 188.A N ILE 184.A O no hydrogen 2.918 N/A ASN 189.A N GLU 185.A O no hydrogen 2.871 N/A ARG 190.A N TYR 187.A O no hydrogen 3.078 N/A PHE 191.A N ALA 188.A O no hydrogen 3.148 N/A GLY 192.A N ASN 189.A O no hydrogen 3.067 N/A TYR 193.A N ALA 188.A O no hydrogen 3.255 N/A ASN 194.A N ASN 239.A O no hydrogen 2.981 N/A VAL 196.A N MET 237.A O no hydrogen 3.028 N/A THR 200.A OG1 GLY 201.A O no hydrogen 2.819 N/A GLY 201.A N VAL 214.A O no hydrogen 2.917 N/A HIS 202.A N THR 233.A OG1 no hydrogen 3.056 N/A HIS 202.A ND1 GLY 203.A O no hydrogen 3.003 N/A HIS 202.A NE2 ASP 139.A OD1 no hydrogen 3.098 N/A GLY 203.A N LEU 212.A O no hydrogen 2.886 N/A ILE 204.A N THR 231.A O no hydrogen 3.242 N/A GLY 205.A N THR 207.A O no hydrogen 2.898 N/A THR 207.A OG1 GLU 35.A OE1 no hydrogen 2.734 N/A HIS 209.A N GLU 32.A OE1 no hydrogen 3.042 N/A HIS 209.A ND1 TYR 94.A OH no hydrogen 3.086 N/A ASN 210.A N GLY 203.A O no hydrogen 3.029 N/A LEU 212.A N ASN 210.A OD1 no hydrogen 3.025 N/A VAL 214.A N GLY 201.A O no hydrogen 2.958 N/A ASP 218.A N GLU 185.A OE1 no hydrogen 2.853 N/A ALA 221.A N GLN 219.A OE1 no hydrogen 3.071 N/A VAL 222.A N GLN 219.A O no hydrogen 3.288 N/A MET 226.A N ARG 175.A O no hydrogen 2.843 N/A GLY 229.A N VAL 271.A O no hydrogen 2.804 N/A MET 230.A N GLN 227.A O no hydrogen 3.085 N/A THR 231.A OG1 ILE 204.A O no hydrogen 2.668 N/A PHE 232.A N LEU 269.A O no hydrogen 3.029 N/A THR 233.A N HIS 202.A O no hydrogen 2.778 N/A THR 233.A OG1 GLU 235.A OE2 no hydrogen 3.052 N/A ILE 234.A N HIS 267.A O no hydrogen 3.184 N/A GLU 235.A N HIS 216.A NE2 no hydrogen 2.892 N/A ILE 238.A N ALA 263.A O no hydrogen 2.852 N/A ASN 239.A N ASN 194.A O no hydrogen 2.829 N/A ASN 239.A ND2 ALA 242.A O no hydrogen 3.180 N/A LEU 240.A N TRP 261.A O no hydrogen 3.153 N/A ALA 242.A N ASP 258.A OD2 no hydrogen 2.914 N/A TYR 245.A OH ASP 198.A OD2 no hydrogen 2.565 N/A GLU 246.A N VAL 255.A O no hydrogen 2.930 N/A TRP 248.A N THR 253.A O no hydrogen 2.958 N/A GLY 251.A N TRP 248.A O no hydrogen 2.928 N/A TRP 252.A N ASP 250.A OD1 no hydrogen 2.835 N/A THR 253.A N ASP 250.A OD1 no hydrogen 2.883 N/A THR 253.A OG1 ASP 250.A OD1 no hydrogen 3.387 N/A THR 253.A OG1 ASP 250.A OD2 no hydrogen 2.871 N/A VAL 254.A N CYS 110.A O no hydrogen 3.228 N/A VAL 255.A N GLU 246.A O no hydrogen 2.841 N/A THR 256.A N GLU 107.A O no hydrogen 2.905 N/A THR 256.A OG1 LYS 260.A O no hydrogen 2.854 N/A LYS 257.A N ASP 244.A O no hydrogen 2.846 N/A ARG 259.A N THR 256.A O no hydrogen 3.247 N/A ARG 259.A NH1 GLU 246.A OE1 no hydrogen 3.156 N/A ARG 259.A NH2 GLU 246.A OE1 no hydrogen 2.896 N/A ARG 259.A NH2 THR 256.A O no hydrogen 2.845 N/A LYS 260.A N ASP 258.A OD1 no hydrogen 3.033 N/A THR 262.A N ASN 106.A O no hydrogen 3.129 N/A THR 262.A OG1 ILE 238.A O no hydrogen 3.164 N/A THR 262.A OG1 ASN 239.A OD1 no hydrogen 2.686 N/A ALA 263.A N ILE 238.A O no hydrogen 3.013 N/A GLN 264.A N THR 143.A OG1 no hydrogen 3.196 N/A GLN 264.A NE2 GLU 235.A O no hydrogen 2.914 N/A GLU 266.A N ASN 141.A O no hydrogen 2.965 N/A HIS 267.A N ILE 234.A O no hydrogen 3.221 N/A HIS 267.A ND1 THR 280.A OG1 no hydrogen 2.681 N/A THR 268.A N THR 280.A OG1 no hydrogen 2.973 N/A THR 268.A OG1 ASP 139.A O no hydrogen 2.743 N/A LEU 269.A N PHE 232.A O no hydrogen 2.837 N/A LEU 270.A N GLU 277.A O no hydrogen 2.838 N/A VAL 271.A N MET 230.A O no hydrogen 2.843 N/A THR 272.A N GLY 275.A O no hydrogen 2.816 N/A THR 274.A N THR 272.A OG1 no hydrogen 3.349 N/A GLY 275.A N THR 272.A OG1 no hydrogen 2.846 N/A GLU 277.A N LEU 270.A O no hydrogen 2.889 N/A LEU 279.A N THR 268.A O no hydrogen 2.847 N/A THR 280.A OG1 HIS 267.A ND1 no hydrogen 2.681 N/A CYS 281.A SG ILE 278.A O no hydrogen 3.666 N/A