Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jdt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N GLU 74.A OE2 no hydrogen 3.254 N/A HIS 4.A N GLU 74.A OE1 no hydrogen 3.139 N/A HIS 4.A N GLU 74.A OE2 no hydrogen 3.195 N/A HIS 4.A ND1 GLU 74.A OE2 no hydrogen 2.733 N/A ILE 5.A N GLU 74.A OE1 no hydrogen 2.623 N/A LEU 6.A N ASN 39.A OD1 no hydrogen 2.869 N/A LYS 8.A N GLU 11.A OE1 no hydrogen 2.784 N/A GLU 11.A N LYS 8.A O no hydrogen 3.063 N/A ALA 13.A N SER 57.A OG no hydrogen 3.069 N/A ARG 15.A NE LEU 229.A O no hydrogen 3.453 N/A VAL 16.A N VAL 82.A O no hydrogen 2.870 N/A LEU 17.A N SER 57.A O no hydrogen 2.800 N/A VAL 18.A N ILE 84.A O no hydrogen 2.943 N/A VAL 19.A N ALA 59.A O no hydrogen 2.849 N/A GLY 23.A N ASP 21.A OD1 no hydrogen 2.811 N/A ARG 24.A N ASP 21.A O no hydrogen 2.869 N/A ARG 24.A NH1 TYR 86.A O no hydrogen 2.843 N/A ALA 25.A N ASP 21.A O no hydrogen 3.196 N/A ARG 26.A N PRO 22.A O no hydrogen 3.105 N/A LEU 27.A N GLY 23.A O no hydrogen 3.047 N/A LEU 28.A N ARG 24.A O no hydrogen 2.787 N/A SER 29.A N ALA 25.A O no hydrogen 2.972 N/A SER 29.A N ARG 26.A O no hydrogen 3.125 N/A SER 29.A OG ARG 26.A O no hydrogen 2.542 N/A THR 30.A N LEU 27.A O no hydrogen 3.221 N/A LEU 31.A N LEU 28.A O no hydrogen 2.924 N/A LEU 32.A N SER 29.A O no hydrogen 2.971 N/A GLN 33.A N LYS 50.A O no hydrogen 2.809 N/A LYS 36.A N THR 48.A O no hydrogen 2.913 N/A THR 38.A N VAL 46.A O no hydrogen 2.792 N/A THR 38.A OG1 VAL 46.A O no hydrogen 3.118 N/A ASN 39.A ND2 PHE 44.A O no hydrogen 2.729 N/A ASN 41.A N ASN 39.A OD1 no hydrogen 3.198 N/A ASN 41.A ND2 HIS 4.A O no hydrogen 2.554 N/A GLY 43.A N GLU 40.A O no hydrogen 3.002 N/A PHE 44.A N ASN 41.A O no hydrogen 2.937 N/A VAL 46.A N ASN 39.A O no hydrogen 3.059 N/A TYR 47.A N ILE 58.A O no hydrogen 2.874 N/A THR 48.A N LYS 36.A O no hydrogen 2.850 N/A THR 48.A OG1 GLU 11.A O no hydrogen 2.572 N/A THR 48.A OG1 SER 57.A OG no hydrogen 2.734 N/A GLY 49.A N VAL 56.A O no hydrogen 2.979 N/A LYS 50.A N GLN 33.A O no hydrogen 3.149 N/A TYR 51.A N GLU 54.A O no hydrogen 2.905 N/A ASN 52.A ND2 ASP 227.A OD1 no hydrogen 3.036 N/A VAL 56.A N GLY 49.A O no hydrogen 2.865 N/A SER 57.A N ARG 15.A O no hydrogen 3.173 N/A SER 57.A OG THR 48.A OG1 no hydrogen 2.734 N/A ILE 58.A N TYR 47.A O no hydrogen 2.806 N/A ALA 59.A N LEU 17.A O no hydrogen 2.878 N/A THR 60.A N LEU 45.A O no hydrogen 2.977 N/A THR 60.A OG1 LEU 45.A O no hydrogen 2.887 N/A HIS 61.A N VAL 19.A O no hydrogen 2.778 N/A HIS 61.A ND1 GLY 62.A O no hydrogen 2.697 N/A GLY 64.A N GLU 181.A OE1 no hydrogen 3.029 N/A SER 67.A OG HIS 61.A O no hydrogen 2.743 N/A ILE 68.A N GLY 64.A O no hydrogen 3.073 N/A ALA 69.A N GLY 65.A O no hydrogen 2.879 N/A ILE 70.A N PRO 66.A O no hydrogen 3.240 N/A VAL 71.A N SER 67.A O no hydrogen 3.148 N/A LEU 72.A N ILE 68.A O no hydrogen 2.876 N/A GLU 73.A N ALA 69.A O no hydrogen 3.044 N/A GLU 74.A N ILE 70.A O no hydrogen 3.043 N/A LEU 75.A N VAL 71.A O no hydrogen 2.877 N/A ALA 76.A N LEU 72.A O no hydrogen 2.908 N/A MET 77.A N GLU 73.A O no hydrogen 3.041 N/A LEU 78.A N GLU 74.A O no hydrogen 3.111 N/A LEU 78.A N LEU 75.A O no hydrogen 2.947 N/A GLY 79.A N ALA 76.A O no hydrogen 3.061 N/A ALA 80.A N LEU 75.A O no hydrogen 2.986 N/A ASN 81.A N GLU 14.A O no hydrogen 3.022 N/A ASN 81.A ND2 GLU 14.A OE1 no hydrogen 2.960 N/A VAL 82.A N GLU 14.A O no hydrogen 3.119 N/A PHE 83.A N LYS 195.A O no hydrogen 2.917 N/A ILE 84.A N VAL 16.A O no hydrogen 3.046 N/A ARG 85.A N ALA 197.A O no hydrogen 2.861 N/A ARG 85.A NH1 HIS 61.A NE2 no hydrogen 3.177 N/A ARG 85.A NH2 GLU 179.A OE1 no hydrogen 2.585 N/A TYR 86.A N VAL 18.A O no hydrogen 2.919 N/A TYR 86.A OH VAL 218.A O no hydrogen 2.660 N/A GLY 87.A N VAL 199.A O no hydrogen 3.328 N/A THR 89.A N VAL 201.A O no hydrogen 2.951 N/A THR 89.A OG1 VAL 178.A O no hydrogen 2.721 N/A GLY 90.A N VAL 178.A O no hydrogen 2.958 N/A ALA 91.A N ASP 204.A O no hydrogen 2.769 N/A LEU 92.A N ILE 176.A O no hydrogen 2.781 N/A ASN 97.A N GLU 100.A OE1 no hydrogen 2.723 N/A ASN 97.A ND2 GLU 100.A OE2 no hydrogen 3.406 N/A GLY 99.A N VAL 202.A O no hydrogen 2.851 N/A GLU 100.A N ASN 97.A O no hydrogen 3.112 N/A TYR 101.A N LYS 147.A O no hydrogen 3.075 N/A TYR 101.A OH SER 217.A O no hydrogen 2.580 N/A ILE 102.A N LEU 200.A O no hydrogen 2.838 N/A ILE 103.A N TYR 149.A O no hydrogen 2.795 N/A VAL 104.A N THR 198.A O no hydrogen 3.102 N/A THR 105.A N GLY 151.A O no hydrogen 2.887 N/A ALA 107.A N SER 127.A O no hydrogen 2.985 N/A SER 108.A N VAL 153.A O no hydrogen 2.747 N/A SER 108.A OG ASN 175.A OD1 no hydrogen 2.996 N/A GLN 111.A NE2 ALA 123.A O no hydrogen 3.449 N/A TYR 116.A N GLY 112.A O no hydrogen 2.924 N/A GLN 117.A N GLY 113.A O no hydrogen 2.858 N/A TYR 118.A N LEU 114.A O no hydrogen 3.112 N/A TYR 118.A OH GLU 73.A OE2 no hydrogen 2.590 N/A LEU 119.A N PHE 115.A O no hydrogen 2.780 N/A ARG 120.A N TYR 116.A O no hydrogen 2.772 N/A ASN 122.A ND2 GLN 111.A OE1 no hydrogen 3.062 N/A ALA 123.A N ASP 121.A OD2 no hydrogen 3.111 N/A SER 127.A OG ALA 183.A O no hydrogen 3.030 N/A SER 127.A OG THR 187.A OG1 no hydrogen 2.958 N/A ASP 130.A N SER 196.A O no hydrogen 2.752 N/A LEU 133.A N ASP 130.A OD2 no hydrogen 2.994 N/A THR 134.A N ASP 130.A O no hydrogen 3.010 N/A THR 134.A OG1 ASP 130.A O no hydrogen 2.798 N/A ASN 135.A N PHE 131.A O no hydrogen 3.059 N/A LYS 136.A N GLU 132.A O no hydrogen 2.993 N/A LYS 136.A NZ SER 231.A OG no hydrogen 3.212 N/A LEU 137.A N LEU 133.A O no hydrogen 3.053 N/A VAL 138.A N THR 134.A O no hydrogen 3.077 N/A THR 139.A N ASN 135.A O no hydrogen 3.028 N/A THR 139.A OG1 ASN 135.A O no hydrogen 3.031 N/A SER 140.A N LYS 136.A O no hydrogen 2.907 N/A SER 140.A OG LYS 136.A O no hydrogen 3.387 N/A SER 140.A OG THR 228.A OG1 no hydrogen 2.782 N/A PHE 141.A N LEU 137.A O no hydrogen 2.915 N/A SER 142.A N VAL 138.A O no hydrogen 3.121 N/A SER 142.A OG VAL 138.A O no hydrogen 3.071 N/A LYS 143.A N THR 139.A O no hydrogen 2.958 N/A ARG 144.A N SER 140.A O no hydrogen 3.226 N/A ARG 144.A N PHE 141.A O no hydrogen 3.333 N/A ARG 144.A NE ASP 227.A OD2 no hydrogen 3.391 N/A ARG 144.A NH2 ASP 227.A OD2 no hydrogen 3.050 N/A ASN 145.A N SER 142.A O no hydrogen 2.867 N/A LEU 146.A N PHE 141.A O no hydrogen 3.035 N/A TYR 148.A OH SER 142.A OG no hydrogen 2.805 N/A TYR 149.A N TYR 101.A O no hydrogen 2.807 N/A TYR 149.A OH GLU 100.A OE1 no hydrogen 3.165 N/A GLY 151.A N ILE 103.A O no hydrogen 3.268 N/A VAL 153.A N GLY 106.A O no hydrogen 2.904 N/A PHE 154.A N ALA 177.A O no hydrogen 2.968 N/A SER 155.A N SER 108.A O no hydrogen 2.957 N/A SER 155.A OG GLU 179.A OE2 no hydrogen 2.629 N/A SER 156.A N GLU 179.A O no hydrogen 2.824 N/A SER 156.A OG GLU 162.A OE2 no hydrogen 3.298 N/A ALA 158.A N SER 156.A OG no hydrogen 3.224 N/A ALA 161.A N ALA 158.A O no hydrogen 3.043 N/A PHE 166.A N ASP 163.A OD1 no hydrogen 2.827 N/A LYS 169.A N GLU 165.A O no hydrogen 2.988 N/A TRP 170.A N PHE 166.A O no hydrogen 3.049 N/A SER 171.A N VAL 167.A O no hydrogen 3.024 N/A SER 171.A OG VAL 167.A O no hydrogen 2.792 N/A SER 171.A OG LYS 168.A O no hydrogen 3.283 N/A SER 172.A N LYS 168.A O no hydrogen 3.013 N/A SER 172.A OG LYS 168.A O no hydrogen 3.158 N/A SER 172.A OG LYS 169.A O no hydrogen 2.750 N/A ARG 173.A N TRP 170.A O no hydrogen 3.079 N/A GLY 174.A N SER 171.A O no hydrogen 3.169 N/A ASN 175.A N TRP 170.A O no hydrogen 3.317 N/A ASN 175.A ND2 TRP 170.A O no hydrogen 3.169 N/A ILE 176.A N ASN 152.A O no hydrogen 2.949 N/A VAL 178.A N GLY 90.A O no hydrogen 2.777 N/A GLU 179.A N PHE 154.A O no hydrogen 3.113 N/A GLU 181.A N GLU 179.A OE1 no hydrogen 2.908 N/A CYS 182.A N GLU 179.A OE1 no hydrogen 2.996 N/A CYS 182.A N GLU 179.A OE2 no hydrogen 2.809 N/A CYS 182.A SG THR 198.A OG1 no hydrogen 3.646 N/A ALA 183.A N SER 155.A OG no hydrogen 2.812 N/A LEU 185.A N GLU 181.A O no hydrogen 3.048 N/A PHE 186.A N CYS 182.A O no hydrogen 2.818 N/A THR 187.A N ALA 183.A O no hydrogen 2.997 N/A THR 187.A OG1 SER 127.A OG no hydrogen 2.958 N/A THR 187.A OG1 ALA 183.A O no hydrogen 3.053 N/A LEU 188.A N THR 184.A O no hydrogen 2.989 N/A SER 189.A N LEU 185.A O no hydrogen 2.963 N/A SER 189.A OG LEU 185.A O no hydrogen 2.799 N/A SER 189.A OG SER 196.A OG no hydrogen 2.575 N/A LYS 190.A N PHE 186.A O no hydrogen 2.958 N/A VAL 191.A N THR 187.A O no hydrogen 3.076 N/A LYS 192.A N LEU 188.A O no hydrogen 2.833 N/A TRP 194.A N SER 189.A O no hydrogen 2.810 N/A LYS 195.A N ASN 81.A O no hydrogen 2.940 N/A SER 196.A OG SER 189.A OG no hydrogen 2.575 N/A ALA 197.A N PHE 83.A O no hydrogen 3.078 N/A VAL 199.A N ARG 85.A O no hydrogen 2.929 N/A LEU 200.A N ILE 102.A O no hydrogen 2.753 N/A VAL 201.A N GLY 87.A O no hydrogen 2.907 N/A VAL 202.A N GLU 100.A O no hydrogen 2.919 N/A SER 203.A N THR 89.A O no hydrogen 3.039 N/A SER 203.A OG THR 89.A O no hydrogen 3.386 N/A SER 203.A OG ASP 204.A OD1 no hydrogen 2.777 N/A ASN 205.A ND2 VAL 93.A O no hydrogen 2.902 N/A ASN 205.A ND2 ILE 96.A O no hydrogen 2.904 N/A LEU 206.A N ALA 91.A O no hydrogen 2.841 N/A LYS 208.A N ASN 205.A OD1 no hydrogen 2.787 N/A LYS 208.A NZ PRO 94.A O no hydrogen 3.099 N/A THR 210.A N GLU 213.A OE1 no hydrogen 3.057 N/A GLU 212.A N THR 210.A OG1 no hydrogen 3.250 N/A GLU 213.A N THR 210.A OG1 no hydrogen 3.100 N/A LEU 214.A N THR 210.A O no hydrogen 3.151 N/A GLU 215.A N LYS 211.A O no hydrogen 3.171 N/A LYS 216.A N GLU 212.A O no hydrogen 3.218 N/A LYS 216.A NZ ASP 220.A OD1 no hydrogen 2.955 N/A SER 217.A N GLU 213.A O no hydrogen 3.190 N/A SER 217.A OG GLY 99.A O no hydrogen 2.916 N/A VAL 218.A N LEU 214.A O no hydrogen 2.731 N/A MET 219.A N GLU 215.A O no hydrogen 2.716 N/A ASP 220.A N LYS 216.A O no hydrogen 2.731 N/A GLY 221.A N SER 217.A O no hydrogen 3.009 N/A ALA 222.A N MET 219.A O no hydrogen 3.125 N/A LYS 223.A NZ MET 219.A O no hydrogen 3.507 N/A VAL 225.A N GLY 221.A O no hydrogen 3.138 N/A LEU 226.A N ALA 222.A O no hydrogen 2.932 N/A ASP 227.A N LYS 223.A O no hydrogen 2.858 N/A THR 228.A N ALA 224.A O no hydrogen 3.040 N/A THR 228.A OG1 SER 140.A OG no hydrogen 2.782 N/A THR 228.A OG1 ALA 224.A O no hydrogen 2.850 N/A LEU 229.A N VAL 225.A O no hydrogen 2.887 N/A THR 230.A N LEU 226.A O no hydrogen 3.043 N/A THR 230.A OG1 LEU 226.A O no hydrogen 2.894 N/A THR 230.A OG1 ASP 227.A O no hydrogen 3.563 N/A SER 231.A N THR 228.A O no hydrogen 3.249 N/A SER 231.A OG THR 228.A O no hydrogen 3.094 N/A