Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2di3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N SER 1.A OG no hydrogen 3.034 N/A HIS 5.A N SER 1.A O no hydrogen 3.281 N/A GLU 6.A N VAL 2.A O no hydrogen 3.098 N/A SER 7.A N LYS 3.A O no hydrogen 2.614 N/A SER 7.A OG LYS 3.A O no hydrogen 2.795 N/A VAL 8.A N ALA 4.A O no hydrogen 2.910 N/A MET 9.A N HIS 5.A O no hydrogen 2.852 N/A ASP 10.A N GLU 6.A O no hydrogen 2.859 N/A TRP 11.A N SER 7.A O no hydrogen 3.026 N/A VAL 12.A N VAL 8.A O no hydrogen 2.842 N/A THR 13.A N MET 9.A O no hydrogen 2.908 N/A THR 13.A OG1 MET 9.A O no hydrogen 2.815 N/A GLU 14.A N ASP 10.A O no hydrogen 3.203 N/A GLU 15.A N TRP 11.A O no hydrogen 3.010 N/A LEU 16.A N VAL 12.A O no hydrogen 3.025 N/A ARG 17.A N THR 13.A O no hydrogen 2.899 N/A ARG 17.A NE GLU 14.A OE1 no hydrogen 3.151 N/A ARG 17.A NE GLU 14.A OE2 no hydrogen 3.127 N/A ARG 17.A NH2 GLU 14.A OE2 no hydrogen 2.734 N/A SER 18.A N GLU 14.A O no hydrogen 2.936 N/A SER 18.A OG GLU 14.A O no hydrogen 3.198 N/A SER 18.A OG GLU 15.A O no hydrogen 3.114 N/A GLY 19.A N GLU 15.A O no hydrogen 3.208 N/A ARG 20.A N SER 18.A OG no hydrogen 3.286 N/A ARG 20.A NE GLU 15.A OE1 no hydrogen 2.873 N/A ARG 20.A NE GLU 15.A OE2 no hydrogen 3.320 N/A ARG 20.A NH2 GLU 15.A OE2 no hydrogen 2.806 N/A LEU 21.A N GLU 15.A O no hydrogen 3.201 N/A LYS 22.A N ASP 25.A OD2 no hydrogen 2.697 N/A GLY 24.A N ILE 71.A O no hydrogen 2.655 N/A ASP 25.A N LYS 22.A O no hydrogen 2.956 N/A LEU 27.A N THR 69.A O no hydrogen 2.815 N/A ARG 31.A NH1 ARG 31.A O no hydrogen 3.078 N/A ARG 31.A NH1 GLU 35.A OE1 no hydrogen 2.673 N/A ARG 31.A NH2 GLU 35.A OE1 no hydrogen 3.442 N/A ALA 32.A N SER 29.A OG no hydrogen 3.159 N/A LEU 33.A N SER 29.A O no hydrogen 2.922 N/A SER 34.A N GLU 30.A O no hydrogen 2.777 N/A SER 34.A OG VAL 39.A O no hydrogen 2.726 N/A GLU 35.A N ARG 31.A O no hydrogen 3.445 N/A THR 36.A N ALA 32.A O no hydrogen 3.089 N/A THR 36.A OG1 ALA 32.A O no hydrogen 2.964 N/A LEU 37.A N LEU 33.A O no hydrogen 2.839 N/A GLY 38.A N GLU 35.A O no hydrogen 3.004 N/A VAL 39.A N SER 34.A O no hydrogen 3.139 N/A SER 40.A OG SER 43.A OG no hydrogen 2.420 N/A SER 43.A N SER 40.A OG no hydrogen 3.154 N/A SER 43.A OG SER 40.A O no hydrogen 3.001 N/A SER 43.A OG SER 40.A OG no hydrogen 2.420 N/A LEU 44.A N SER 40.A O no hydrogen 2.972 N/A ARG 45.A N ARG 41.A O no hydrogen 3.000 N/A ARG 45.A NE GLU 30.A OE1 no hydrogen 2.698 N/A ARG 45.A NH2 GLU 30.A OE1 no hydrogen 3.217 N/A GLU 46.A N SER 42.A O no hydrogen 3.028 N/A ALA 47.A N SER 43.A O no hydrogen 3.055 N/A LEU 48.A N LEU 44.A O no hydrogen 2.947 N/A ARG 49.A N ARG 45.A O no hydrogen 3.037 N/A VAL 50.A N GLU 46.A O no hydrogen 3.234 N/A LEU 51.A N ALA 47.A O no hydrogen 2.839 N/A GLU 52.A N LEU 48.A O no hydrogen 2.813 N/A ALA 53.A N ARG 49.A O no hydrogen 3.115 N/A LEU 54.A N VAL 50.A O no hydrogen 2.719 N/A GLY 55.A N LEU 51.A O no hydrogen 3.043 N/A GLY 55.A N GLU 52.A O no hydrogen 3.209 N/A ILE 57.A N LEU 51.A O no hydrogen 3.415 N/A SER 58.A N ILE 70.A O no hydrogen 2.971 N/A THR 59.A OG1 GLU 52.A OE2 no hydrogen 3.258 N/A ALA 60.A N SER 58.A OG no hydrogen 3.295 N/A SER 63.A N SER 67.A OG no hydrogen 2.441 N/A GLY 64.A N THR 61.A O no hydrogen 2.943 N/A ARG 66.A NE ARG 66.A O no hydrogen 2.885 N/A SER 67.A N GLY 64.A O no hydrogen 2.755 N/A GLY 68.A N PRO 65.A O no hydrogen 2.956 N/A ILE 70.A N SER 58.A O no hydrogen 2.863 N/A ILE 71.A N ASP 25.A O no hydrogen 2.888 N/A THR 72.A N THR 56.A O no hydrogen 2.747 N/A THR 72.A OG1 GLY 55.A O no hydrogen 2.762 N/A ALA 73.A N THR 56.A O no hydrogen 2.763 N/A ALA 74.A N GLY 55.A O no hydrogen 2.768 N/A SER 80.A OG ALA 165.A O no hydrogen 2.628 N/A SER 80.A OG SER 169.A OG no hydrogen 3.345 N/A LEU 81.A N GLN 77.A O no hydrogen 2.747 N/A SER 82.A N ALA 78.A O no hydrogen 2.985 N/A VAL 83.A N LEU 79.A O no hydrogen 2.761 N/A THR 84.A N SER 80.A O no hydrogen 2.853 N/A THR 84.A OG1 SER 80.A O no hydrogen 3.239 N/A THR 84.A OG1 SER 169.A OG no hydrogen 3.003 N/A THR 84.A OG1 ASP 172.A OD2 no hydrogen 2.890 N/A LEU 85.A N LEU 81.A O no hydrogen 3.166 N/A GLN 86.A N SER 82.A O no hydrogen 2.983 N/A GLN 86.A NE2 SER 82.A O no hydrogen 3.687 N/A GLN 86.A NE2 SER 82.A OG no hydrogen 3.043 N/A LEU 87.A N VAL 83.A O no hydrogen 2.844 N/A VAL 88.A N THR 84.A O no hydrogen 3.087 N/A THR 89.A N LEU 85.A O no hydrogen 3.331 N/A THR 89.A OG1 LEU 85.A O no hydrogen 3.364 N/A THR 89.A OG1 GLN 86.A O no hydrogen 3.172 N/A ASN 90.A N LEU 87.A O no hydrogen 3.051 N/A GLN 91.A N GLN 86.A O no hydrogen 2.745 N/A GLN 91.A NE2 GLN 86.A OE1 no hydrogen 2.671 N/A VAL 92.A N GLN 86.A O no hydrogen 2.989 N/A GLY 93.A N ASP 96.A OD2 no hydrogen 2.906 N/A HIS 94.A ND1 HIS 173.A ND1 no hydrogen 2.779 N/A ILE 97.A N GLY 93.A O no hydrogen 3.310 N/A TYR 98.A N HIS 94.A O no hydrogen 2.985 N/A GLU 99.A N HIS 95.A O no hydrogen 2.993 N/A THR 100.A N ASP 96.A O no hydrogen 3.025 N/A THR 100.A OG1 ASP 96.A O no hydrogen 2.923 N/A ARG 101.A N ILE 97.A O no hydrogen 2.908 N/A ARG 101.A NE GLU 105.A OE2 no hydrogen 3.273 N/A ARG 101.A NH2 GLU 105.A OE2 no hydrogen 2.918 N/A GLN 102.A N TYR 98.A O no hydrogen 3.082 N/A GLN 102.A NE2 TYR 98.A OH no hydrogen 3.107 N/A GLN 102.A NE2 LYS 215.A O no hydrogen 3.030 N/A LEU 103.A N GLU 99.A O no hydrogen 3.103 N/A LEU 104.A N THR 100.A O no hydrogen 2.961 N/A GLU 105.A N ARG 101.A O no hydrogen 2.770 N/A GLY 106.A N GLN 102.A O no hydrogen 3.054 N/A TRP 107.A N LEU 103.A O no hydrogen 3.235 N/A ALA 108.A N LEU 104.A O no hydrogen 3.044 N/A ALA 109.A N GLU 105.A O no hydrogen 3.068 N/A LEU 110.A N GLY 106.A O no hydrogen 2.927 N/A HIS 111.A N TRP 107.A O no hydrogen 2.883 N/A SER 112.A OG ALA 109.A O no hydrogen 2.837 N/A SER 113.A N GLY 153.A O no hydrogen 2.948 N/A ARG 116.A N SER 113.A O no hydrogen 3.035 N/A ARG 116.A NE ALA 154.A O no hydrogen 2.761 N/A TRP 119.A NE1 ALA 114.A O no hydrogen 2.715 N/A VAL 121.A N ASP 118.A O no hydrogen 3.153 N/A ALA 122.A N ASP 118.A O no hydrogen 3.371 N/A GLU 123.A N TRP 119.A O no hydrogen 2.743 N/A ALA 124.A N ASP 120.A O no hydrogen 2.937 N/A LEU 125.A N VAL 121.A O no hydrogen 3.123 N/A LEU 126.A N ALA 122.A O no hydrogen 3.115 N/A GLU 127.A N GLU 123.A O no hydrogen 3.050 N/A GLU 127.A N ALA 124.A O no hydrogen 3.172 N/A LYS 128.A N ALA 124.A O no hydrogen 3.352 N/A MET 129.A N LEU 125.A O no hydrogen 3.095 N/A ASP 130.A N GLU 127.A O no hydrogen 3.106 N/A ASP 131.A N LYS 128.A O no hydrogen 3.364 N/A SER 133.A N ASP 131.A OD1 no hydrogen 2.605 N/A LEU 134.A N ASP 131.A O no hydrogen 3.116 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.630 N/A PHE 139.A N PRO 135.A O no hydrogen 3.075 N/A LEU 140.A N LEU 136.A O no hydrogen 2.945 N/A ARG 141.A N GLU 137.A O no hydrogen 2.999 N/A PHE 142.A N ASP 138.A O no hydrogen 2.991 N/A ASP 143.A N PHE 139.A O no hydrogen 2.817 N/A ALA 144.A N LEU 140.A O no hydrogen 3.078 N/A GLU 145.A N ARG 141.A O no hydrogen 3.375 N/A PHE 146.A N PHE 142.A O no hydrogen 2.777 N/A HIS 147.A N ASP 143.A O no hydrogen 3.067 N/A HIS 147.A ND1 GLU 105.A OE1 no hydrogen 2.673 N/A HIS 147.A NE2 HIS 195.A NE2 no hydrogen 3.177 N/A VAL 148.A N ALA 144.A O no hydrogen 3.140 N/A VAL 149.A N GLU 145.A O no hydrogen 2.798 N/A ILE 150.A N PHE 146.A O no hydrogen 3.019 N/A SER 151.A N VAL 148.A O no hydrogen 3.055 N/A SER 151.A OG VAL 148.A O no hydrogen 2.625 N/A LYS 152.A N VAL 149.A O no hydrogen 3.323 N/A GLY 153.A N ILE 150.A O no hydrogen 3.147 N/A ALA 154.A N SER 151.A O no hydrogen 2.938 N/A GLU 155.A N HIS 111.A O no hydrogen 2.880 N/A LEU 158.A N ASN 156.A OD1 no hydrogen 3.008 N/A ILE 159.A N ASN 156.A O no hydrogen 3.217 N/A SER 160.A OG PRO 157.A O no hydrogen 2.643 N/A THR 161.A N PRO 157.A O no hydrogen 3.388 N/A LEU 162.A N LEU 158.A O no hydrogen 2.938 N/A MET 163.A N ILE 159.A O no hydrogen 2.873 N/A GLU 164.A N SER 160.A O no hydrogen 2.755 N/A ALA 165.A N THR 161.A O no hydrogen 2.971 N/A LEU 166.A N LEU 162.A O no hydrogen 3.075 N/A LEU 166.A N MET 163.A O no hydrogen 3.050 N/A ARG 167.A N GLU 164.A O no hydrogen 3.216 N/A ARG 167.A NE GLU 164.A OE1 no hydrogen 3.509 N/A ARG 167.A NE GLU 164.A OE2 no hydrogen 3.042 N/A ARG 167.A NH2 GLU 164.A OE2 no hydrogen 3.410 N/A SER 169.A N SER 80.A OG no hydrogen 3.286 N/A SER 169.A OG THR 84.A OG1 no hydrogen 3.003 N/A VAL 170.A N LEU 166.A O no hydrogen 2.989 N/A ALA 171.A N ARG 167.A O no hydrogen 3.073 N/A ASP 172.A N LEU 168.A O no hydrogen 2.929 N/A HIS 173.A N SER 169.A O no hydrogen 2.848 N/A HIS 173.A ND1 HIS 94.A ND1 no hydrogen 2.779 N/A THR 174.A N VAL 170.A O no hydrogen 2.895 N/A THR 174.A OG1 VAL 170.A O no hydrogen 3.483 N/A THR 174.A OG1 ALA 171.A O no hydrogen 3.228 N/A VAL 175.A N ALA 171.A O no hydrogen 2.963 N/A ALA 176.A N ASP 172.A O no hydrogen 3.059 N/A ARG 177.A N HIS 173.A O no hydrogen 3.271 N/A ARG 177.A NE THR 225.A OG1 no hydrogen 2.784 N/A ARG 177.A NH2 TYR 222.A O no hydrogen 3.030 N/A ARG 177.A NH2 THR 225.A OG1 no hydrogen 3.193 N/A ALA 178.A N THR 174.A O no hydrogen 2.959 N/A ALA 178.A N VAL 175.A O no hydrogen 3.025 N/A ARG 179.A N VAL 175.A O no hydrogen 3.360 N/A LEU 181.A N ALA 178.A O no hydrogen 2.614 N/A ALA 186.A N ASP 183.A OD1 no hydrogen 3.197 N/A THR 187.A N ASP 183.A O no hydrogen 3.161 N/A THR 187.A OG1 ASP 183.A O no hydrogen 3.156 N/A THR 187.A OG1 GLU 224.A OE2 no hydrogen 2.465 N/A SER 188.A N TRP 184.A O no hydrogen 2.849 N/A SER 188.A OG TRP 184.A O no hydrogen 2.783 N/A SER 188.A OG ARG 185.A O no hydrogen 3.206 N/A ALA 189.A N ARG 185.A O no hydrogen 3.316 N/A ALA 189.A N ALA 186.A O no hydrogen 3.237 N/A ARG 190.A N ALA 186.A O no hydrogen 3.143 N/A ARG 190.A NH2 GLU 224.A OE1 no hydrogen 2.657 N/A LEU 191.A N THR 187.A O no hydrogen 3.011 N/A GLN 192.A N SER 188.A O no hydrogen 3.185 N/A GLN 192.A NE2 LEU 126.A O no hydrogen 2.886 N/A GLN 192.A NE2 ASP 130.A OD1 no hydrogen 3.177 N/A LYS 193.A N ALA 189.A O no hydrogen 3.222 N/A GLU 194.A N ARG 190.A O no hydrogen 3.031 N/A HIS 195.A N LEU 191.A O no hydrogen 2.731 N/A HIS 195.A ND1 GLN 192.A OE1 no hydrogen 3.199 N/A ARG 196.A N GLN 192.A O no hydrogen 2.922 N/A ARG 196.A NE GLU 123.A OE2 no hydrogen 3.525 N/A ARG 196.A NH1 ASP 130.A OD1 no hydrogen 2.677 N/A ARG 196.A NH1 ASP 130.A OD2 no hydrogen 3.171 N/A ARG 196.A NH2 ASP 130.A OD2 no hydrogen 3.097 N/A ALA 197.A N LYS 193.A O no hydrogen 3.156 N/A ILE 198.A N GLU 194.A O no hydrogen 3.040 N/A LEU 199.A N HIS 195.A O no hydrogen 2.930 N/A ALA 200.A N ARG 196.A O no hydrogen 2.861 N/A ALA 201.A N ALA 197.A O no hydrogen 2.919 N/A LEU 202.A N ILE 198.A O no hydrogen 3.038 N/A ARG 203.A N LEU 199.A O no hydrogen 2.911 N/A ARG 203.A NH2 GLU 123.A OE1 no hydrogen 3.251 N/A ALA 204.A N ALA 200.A O no hydrogen 2.969 N/A GLY 205.A N LEU 202.A O no hydrogen 3.092 N/A GLU 206.A N ALA 201.A O no hydrogen 2.827 N/A SER 207.A N GLY 205.A O no hydrogen 2.859 N/A SER 207.A OG SER 112.A O no hydrogen 3.445 N/A ALA 210.A N GLU 206.A O no hydrogen 2.903 N/A ALA 211.A N SER 207.A O no hydrogen 2.991 N/A THR 212.A N THR 208.A O no hydrogen 3.165 N/A THR 212.A OG1 THR 208.A O no hydrogen 3.147 N/A LEU 213.A N VAL 209.A O no hydrogen 2.958 N/A ILE 214.A N ALA 210.A O no hydrogen 2.880 N/A LYS 215.A N ALA 211.A O no hydrogen 3.090 N/A GLU 216.A N THR 212.A O no hydrogen 3.122 N/A HIS 217.A N LEU 213.A O no hydrogen 2.780 N/A HIS 217.A ND1 GLU 194.A OE1 no hydrogen 2.750 N/A ILE 218.A N ILE 214.A O no hydrogen 2.897 N/A GLU 219.A N LYS 215.A O no hydrogen 2.896 N/A GLY 220.A N GLU 216.A O no hydrogen 2.708 N/A TYR 221.A N HIS 217.A O no hydrogen 3.202 N/A TYR 221.A OH THR 174.A O no hydrogen 2.765 N/A TYR 222.A N ILE 218.A O no hydrogen 3.101 N/A GLU 223.A N GLU 219.A O no hydrogen 3.015 N/A GLU 224.A N GLY 220.A O no hydrogen 3.031 N/A THR 225.A N TYR 221.A O no hydrogen 3.023 N/A THR 225.A OG1 TYR 221.A O no hydrogen 2.821 N/A THR 225.A OG1 TYR 222.A O no hydrogen 2.830 N/A ALA 226.A N TYR 222.A O no hydrogen 2.832 N/A ALA 227.A N GLU 223.A O no hydrogen 2.941 N/A ALA 227.A N GLU 224.A O no hydrogen 3.281 N/A ALA 228.A N GLU 224.A O no hydrogen 2.931 N/A LEU 231.A N GLU 229.A O no hydrogen 2.658 N/A