Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8c1e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 6.A OD2 no hydrogen 2.949 N/A ASP 6.A N ALA 3.A O no hydrogen 3.099 N/A PHE 7.A N LEU 4.A O no hydrogen 3.157 N/A GLU 8.A N ARG 25.A O no hydrogen 2.707 N/A GLY 10.A N LEU 23.A O no hydrogen 2.755 N/A LEU 13.A N VAL 21.A O no hydrogen 2.782 N/A LYS 15.A NZ GLY 16.A O no hydrogen 3.195 N/A GLY 16.A N GLY 19.A O no hydrogen 2.515 N/A ASN 20.A N VAL 37.A O no hydrogen 3.078 N/A ASN 20.A ND2 VAL 37.A O no hydrogen 3.174 N/A VAL 21.A N GLY 14.A O no hydrogen 2.970 N/A TYR 22.A N LEU 35.A O no hydrogen 3.002 N/A LEU 23.A N ARG 11.A O no hydrogen 2.885 N/A ALA 24.A N LEU 33.A O no hydrogen 2.779 N/A ARG 25.A N GLU 8.A O no hydrogen 2.900 N/A GLU 26.A N PHE 31.A O no hydrogen 2.845 N/A LYS 27.A N ASP 6.A O no hydrogen 2.982 N/A LYS 27.A NZ GLU 5.A O no hydrogen 2.843 N/A SER 29.A N GLU 26.A OE2 no hydrogen 2.813 N/A SER 29.A OG GLU 26.A OE2 no hydrogen 2.941 N/A PHE 31.A N SER 29.A OG no hydrogen 3.273 N/A LEU 33.A N ALA 24.A O no hydrogen 2.827 N/A ALA 34.A N LEU 84.A O no hydrogen 2.891 N/A LEU 35.A N TYR 22.A O no hydrogen 2.809 N/A LYS 36.A N LEU 82.A O no hydrogen 2.866 N/A LYS 36.A NZ GLU 55.A OE1 no hydrogen 3.332 N/A LYS 36.A NZ GLU 55.A OE2 no hydrogen 2.847 N/A VAL 37.A N ASN 20.A O no hydrogen 2.974 N/A LEU 38.A N VAL 80.A O no hydrogen 2.708 N/A LYS 40.A N THR 78.A O no hydrogen 2.746 N/A LYS 40.A NZ HIS 75.A ND1 no hydrogen 2.639 N/A LYS 40.A NZ ASP 76.A O no hydrogen 2.485 N/A GLN 42.A N PHE 39.A O no hydrogen 3.134 N/A LEU 43.A N PHE 39.A O no hydrogen 3.169 N/A GLU 44.A N LYS 40.A O no hydrogen 2.841 N/A LYS 45.A N ALA 41.A O no hydrogen 2.823 N/A ALA 46.A N GLN 42.A O no hydrogen 2.970 N/A GLY 47.A N GLU 44.A O no hydrogen 3.207 N/A VAL 48.A N LEU 43.A O no hydrogen 3.141 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.814 N/A GLN 51.A N VAL 48.A O no hydrogen 2.972 N/A LEU 52.A N VAL 48.A O no hydrogen 3.254 N/A ARG 53.A N GLU 49.A O no hydrogen 3.042 N/A ARG 53.A NE GLU 57.A OE1 no hydrogen 3.084 N/A ARG 54.A N HIS 50.A O no hydrogen 2.785 N/A ARG 54.A NH2 SER 152.A O no hydrogen 2.914 N/A GLU 55.A N GLN 51.A O no hydrogen 2.772 N/A VAL 56.A N LEU 52.A O no hydrogen 2.913 N/A GLU 57.A N ARG 53.A O no hydrogen 2.925 N/A ILE 58.A N ARG 54.A O no hydrogen 2.841 N/A GLN 59.A N GLU 55.A O no hydrogen 2.861 N/A GLN 59.A NE2 LEU 68.A O no hydrogen 2.633 N/A SER 60.A N VAL 56.A O no hydrogen 3.090 N/A SER 60.A OG VAL 56.A O no hydrogen 2.342 N/A SER 60.A OG GLU 57.A O no hydrogen 3.486 N/A HIS 61.A N ILE 58.A O no hydrogen 3.346 N/A ARG 63.A N TYR 120.A OH no hydrogen 2.803 N/A ARG 63.A NH2 SER 60.A O no hydrogen 3.386 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 2.997 N/A ASN 66.A ND2 LEU 144.A O no hydrogen 2.845 N/A ILE 67.A N HIS 64.A O no hydrogen 2.917 N/A LEU 68.A N ILE 146.A O no hydrogen 2.760 N/A ARG 69.A N GLU 85.A OE1 no hydrogen 3.193 N/A TYR 71.A N ILE 83.A O no hydrogen 2.735 N/A PHE 74.A N TYR 81.A O no hydrogen 3.053 N/A ASP 76.A N ARG 79.A O no hydrogen 2.952 N/A ARG 79.A N ASP 76.A OD1 no hydrogen 2.788 N/A ARG 79.A NE TYR 81.A OH no hydrogen 3.219 N/A VAL 80.A N LEU 38.A O no hydrogen 2.637 N/A TYR 81.A N PHE 74.A O no hydrogen 2.843 N/A TYR 81.A OH ASP 76.A OD2 no hydrogen 2.766 N/A LEU 82.A N LYS 36.A O no hydrogen 2.800 N/A ILE 83.A N GLY 72.A O no hydrogen 2.814 N/A LEU 84.A N ALA 34.A O no hydrogen 2.779 N/A GLU 85.A N ARG 69.A O no hydrogen 2.894 N/A LEU 89.A N LEU 138.A O no hydrogen 3.079 N/A VAL 92.A N LEU 136.A O no hydrogen 2.794 N/A TYR 93.A N PRO 133.A O no hydrogen 3.109 N/A ARG 94.A N THR 91.A O no hydrogen 3.095 N/A ARG 94.A N THR 91.A OG1 no hydrogen 2.862 N/A GLU 95.A N THR 91.A O no hydrogen 3.189 N/A LEU 96.A N VAL 92.A O no hydrogen 2.864 N/A GLN 97.A N TYR 93.A O no hydrogen 3.102 N/A LYS 98.A N ARG 94.A O no hydrogen 2.945 N/A LEU 99.A N GLU 95.A O no hydrogen 2.925 N/A SER 100.A N LEU 96.A O no hydrogen 2.718 N/A LYS 101.A N LEU 99.A O no hydrogen 2.817 N/A PHE 102.A N PHE 195.A O no hydrogen 2.846 N/A GLN 105.A NE2 ASN 259.A O no hydrogen 3.475 N/A ARG 106.A N ASP 103.A OD1 no hydrogen 2.697 N/A ARG 106.A NH1 TYR 110.A OH no hydrogen 3.290 N/A THR 107.A N ASP 103.A O no hydrogen 2.900 N/A THR 107.A OG1 PHE 102.A O no hydrogen 3.531 N/A THR 107.A OG1 ASP 103.A O no hydrogen 2.866 N/A ALA 108.A N GLU 104.A O no hydrogen 2.874 N/A THR 109.A N GLN 105.A O no hydrogen 3.003 N/A THR 109.A OG1 GLN 105.A O no hydrogen 2.555 N/A TYR 110.A N ARG 106.A O no hydrogen 2.877 N/A ILE 111.A N THR 107.A O no hydrogen 2.794 N/A THR 112.A N ALA 108.A O no hydrogen 3.018 N/A THR 112.A OG1 ALA 108.A O no hydrogen 2.782 N/A GLU 113.A N THR 109.A O no hydrogen 3.031 N/A LEU 114.A N TYR 110.A O no hydrogen 2.965 N/A ALA 115.A N ILE 111.A O no hydrogen 2.853 N/A ASN 116.A N THR 112.A O no hydrogen 2.830 N/A ALA 117.A N GLU 113.A O no hydrogen 3.133 N/A LEU 118.A N LEU 114.A O no hydrogen 2.734 N/A SER 119.A N ALA 115.A O no hydrogen 2.860 N/A TYR 120.A N ASN 116.A O no hydrogen 2.968 N/A CYS 121.A N ALA 117.A O no hydrogen 2.923 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.499 N/A HIS 122.A N LEU 118.A O no hydrogen 2.595 N/A HIS 122.A NE2 ASP 184.A OD2 no hydrogen 2.731 N/A SER 123.A N SER 119.A O no hydrogen 2.858 N/A SER 123.A OG TYR 120.A O no hydrogen 2.770 N/A LYS 124.A NZ TYR 120.A OH no hydrogen 3.255 N/A ARG 125.A N HIS 122.A O no hydrogen 2.607 N/A ARG 125.A NE ALA 155.A O no hydrogen 3.450 N/A VAL 126.A N CYS 121.A O no hydrogen 2.956 N/A ILE 127.A N VAL 153.A O no hydrogen 2.615 N/A HIS 128.A N ASP 184.A OD2 no hydrogen 3.175 N/A HIS 128.A NE2 ALA 147.A O no hydrogen 2.785 N/A ARG 129.A N ASP 184.A OD1 no hydrogen 2.886 N/A ARG 129.A NE TRP 151.A O no hydrogen 2.831 N/A ARG 129.A NH1 ARG 159.A O no hydrogen 3.021 N/A ARG 129.A NH1 HIS 179.A NE2 no hydrogen 3.173 N/A ARG 129.A NH2 TRP 151.A O no hydrogen 3.057 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 2.946 N/A LYS 132.A NZ ASP 130.A OD1 no hydrogen 2.640 N/A LYS 132.A NZ ASP 130.A OD2 no hydrogen 3.419 N/A ASN 135.A N LYS 132.A O no hydrogen 2.904 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 3.193 N/A LEU 136.A N PRO 133.A O no hydrogen 3.276 N/A LEU 137.A N LYS 145.A O no hydrogen 2.832 N/A LEU 138.A N GLY 90.A O no hydrogen 2.804 N/A GLY 139.A N GLU 143.A O no hydrogen 2.800 N/A ALA 141.A N GLU 143.A OE1 no hydrogen 2.892 N/A GLY 142.A N GLY 139.A O no hydrogen 2.833 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.697 N/A LEU 144.A N GLU 113.A OE1 no hydrogen 3.060 N/A LYS 145.A N LEU 137.A O no hydrogen 2.592 N/A LYS 145.A NZ PRO 65.A O no hydrogen 3.004 N/A LYS 145.A NZ GLU 85.A OE2 no hydrogen 2.328 N/A ILE 146.A N ASN 66.A O no hydrogen 2.960 N/A SER 152.A N PHE 149.A O no hydrogen 3.065 N/A SER 152.A OG PHE 149.A O no hydrogen 2.744 N/A VAL 153.A N ILE 127.A O no hydrogen 3.023 N/A ALA 155.A N ARG 125.A O no hydrogen 2.929 N/A SER 157.A N HIS 179.A O no hydrogen 2.910 N/A ARG 159.A N SER 157.A OG no hydrogen 3.310 N/A CYS 163.A SG CYS 163.A O no hydrogen 2.788 N/A TYR 168.A OH GLU 194.A OE1 no hydrogen 2.295 N/A TYR 168.A OH GLU 194.A OE2 no hydrogen 3.291 N/A LEU 169.A N LEU 166.A O no hydrogen 2.752 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.835 N/A ILE 174.A N PRO 170.A O no hydrogen 3.132 N/A GLU 175.A N GLU 172.A O no hydrogen 3.403 N/A GLY 176.A N MET 173.A O no hydrogen 3.333 N/A ARG 177.A N GLU 172.A O no hydrogen 3.286 N/A HIS 179.A N SER 157.A O no hydrogen 2.864 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.989 N/A LYS 182.A N ASP 180.A OD1 no hydrogen 3.256 N/A LYS 182.A NZ PRO 245.A O no hydrogen 3.120 N/A VAL 183.A N ASP 180.A O no hydrogen 2.839 N/A TRP 186.A N LYS 182.A O no hydrogen 3.251 N/A TRP 186.A N VAL 183.A O no hydrogen 2.981 N/A SER 187.A N VAL 183.A O no hydrogen 3.231 N/A SER 187.A OG TYR 168.A O no hydrogen 2.808 N/A SER 187.A OG VAL 183.A O no hydrogen 3.387 N/A LEU 188.A N ASP 184.A O no hydrogen 2.943 N/A GLY 189.A N LEU 185.A O no hydrogen 3.343 N/A VAL 190.A N TRP 186.A O no hydrogen 3.060 N/A LEU 191.A N SER 187.A O no hydrogen 2.894 N/A CYS 192.A N LEU 188.A O no hydrogen 2.823 N/A TYR 193.A N GLY 189.A O no hydrogen 2.975 N/A TYR 193.A OH THR 220.A O no hydrogen 2.649 N/A GLU 194.A N VAL 190.A O no hydrogen 2.745 N/A PHE 195.A N LEU 191.A O no hydrogen 2.731 N/A LEU 196.A N CYS 192.A O no hydrogen 3.096 N/A VAL 197.A N TYR 193.A O no hydrogen 2.767 N/A VAL 197.A N GLU 194.A O no hydrogen 3.172 N/A GLY 198.A N GLU 194.A O no hydrogen 2.611 N/A TYR 207.A OH GLY 164.A O no hydrogen 3.061 N/A THR 210.A N THR 206.A O no hydrogen 3.507 N/A THR 210.A OG1 THR 206.A O no hydrogen 3.044 N/A TYR 211.A N TYR 207.A O no hydrogen 2.915 N/A LYS 212.A N GLN 208.A O no hydrogen 2.971 N/A ARG 213.A N GLU 209.A O no hydrogen 2.821 N/A ARG 213.A NH2 GLU 203.A O no hydrogen 3.297 N/A ILE 214.A N THR 210.A O no hydrogen 2.712 N/A SER 215.A N TYR 211.A O no hydrogen 2.883 N/A SER 215.A OG TYR 211.A O no hydrogen 2.689 N/A SER 215.A OG LYS 212.A O no hydrogen 3.114 N/A ARG 216.A N LYS 212.A O no hydrogen 2.893 N/A VAL 217.A N ILE 214.A O no hydrogen 2.837 N/A GLU 218.A N ARG 213.A O no hydrogen 2.858 N/A VAL 225.A N PRO 222.A O no hydrogen 3.228 N/A THR 226.A OG1 GLU 104.A OE2 no hydrogen 2.607 N/A ARG 230.A N THR 226.A O no hydrogen 2.878 N/A ARG 230.A NE VAL 225.A O no hydrogen 2.937 N/A ARG 230.A NH2 ASP 223.A O no hydrogen 3.332 N/A ARG 230.A NH2 VAL 225.A O no hydrogen 3.275 N/A ASP 231.A N GLU 227.A O no hydrogen 2.796 N/A LEU 232.A N GLY 228.A O no hydrogen 3.266 N/A ILE 233.A N ALA 229.A O no hydrogen 2.868 N/A SER 234.A N ARG 230.A O no hydrogen 2.955 N/A SER 234.A OG ARG 230.A O no hydrogen 2.942 N/A ARG 235.A N ASP 231.A O no hydrogen 3.071 N/A ARG 235.A NE ASP 231.A OD2 no hydrogen 2.643 N/A ARG 235.A NH2 ASP 231.A OD1 no hydrogen 2.854 N/A ARG 235.A NH2 ASP 231.A OD2 no hydrogen 3.559 N/A LEU 236.A N LEU 232.A O no hydrogen 3.115 N/A LEU 236.A N ILE 233.A O no hydrogen 3.018 N/A LEU 237.A N ILE 233.A O no hydrogen 2.939 N/A LYS 238.A NZ SER 234.A O no hydrogen 3.557 N/A SER 242.A OG ASN 240.A OD1 no hydrogen 2.738 N/A GLN 243.A N ASN 240.A O no hydrogen 3.003 N/A ARG 244.A N PRO 241.A O no hydrogen 3.124 N/A ARG 244.A NE LYS 238.A O no hydrogen 2.989 N/A ARG 244.A NH1 GLU 172.A OE2 no hydrogen 2.543 N/A ARG 244.A NH1 LYS 182.A O no hydrogen 2.811 N/A ARG 244.A NH2 GLU 172.A OE1 no hydrogen 2.825 N/A ARG 244.A NH2 GLU 172.A OE2 no hydrogen 2.915 N/A ARG 244.A NH2 LYS 238.A O no hydrogen 3.022 N/A MET 246.A N GLU 249.A OE1 no hydrogen 3.186 N/A VAL 250.A N MET 246.A O no hydrogen 3.251 N/A LEU 251.A N LEU 247.A O no hydrogen 3.135 N/A GLU 252.A N ARG 248.A O no hydrogen 3.110 N/A HIS 253.A N VAL 250.A O no hydrogen 3.018 N/A HIS 253.A NE2 ASP 231.A OD2 no hydrogen 2.530 N/A TRP 255.A N HIS 253.A ND1 no hydrogen 2.810 N/A TRP 255.A NE1 GLU 104.A OE1 no hydrogen 3.088 N/A TRP 255.A NE1 GLU 104.A OE2 no hydrogen 3.131 N/A THR 257.A N HIS 253.A O no hydrogen 3.143 N/A THR 257.A OG1 HIS 253.A O no hydrogen 3.352 N/A THR 257.A OG1 PRO 254.A O no hydrogen 3.182 N/A ALA 258.A N PRO 254.A O no hydrogen 2.983 N/A ASN 259.A N ILE 256.A O no hydrogen 2.660 N/A ASN 259.A ND2 TRP 255.A O no hydrogen 2.612 N/A SER 260.A N ILE 256.A O no hydrogen 2.777 N/A