Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3llk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N TYR 8.A OH no hydrogen 2.865 N/A SER 5.A N ASP 3.A OD1 no hydrogen 2.952 N/A SER 5.A OG ASP 3.A OD1 no hydrogen 2.739 N/A LYS 6.A N ASP 3.A O no hydrogen 2.854 N/A LYS 6.A NZ ASN 238.A OD1 no hydrogen 3.427 N/A ILE 7.A N ASN 238.A O no hydrogen 3.073 N/A MET 9.A N ILE 240.A O no hydrogen 3.008 N/A ASP 11.A N TYR 8.A O no hydrogen 2.954 N/A LEU 12.A N TYR 8.A O no hydrogen 3.405 N/A GLU 13.A N MET 9.A O no hydrogen 2.886 N/A SER 14.A N ALA 10.A O no hydrogen 2.990 N/A SER 14.A OG ALA 10.A O no hydrogen 2.860 N/A SER 14.A OG ASN 97.A O no hydrogen 3.182 N/A ALA 15.A N ASP 11.A O no hydrogen 3.010 N/A LEU 16.A N LEU 12.A O no hydrogen 3.129 N/A HIS 17.A N GLU 13.A O no hydrogen 2.944 N/A HIS 17.A ND1 GLU 88.A OE1 no hydrogen 3.051 N/A TYR 18.A N SER 14.A O no hydrogen 2.850 N/A ILE 19.A N ALA 15.A O no hydrogen 2.866 N/A LEU 20.A N LEU 16.A O no hydrogen 3.049 N/A ARG 21.A N HIS 17.A O no hydrogen 2.948 N/A ARG 21.A NH1 ASP 84.A OD1 no hydrogen 2.860 N/A ARG 21.A NH2 ASP 84.A OD1 no hydrogen 2.736 N/A ILE 22.A N TYR 18.A O no hydrogen 2.842 N/A GLU 23.A N TYR 18.A O no hydrogen 3.049 N/A VAL 24.A N ILE 19.A O no hydrogen 2.834 N/A ARG 26.A N GLU 23.A O no hydrogen 3.227 N/A LEU 30.A N ILE 74.A O no hydrogen 2.918 N/A GLY 32.A N ASN 72.A OD1 no hydrogen 3.468 N/A ARG 34.A NE TYR 144.A O no hydrogen 2.842 N/A ARG 34.A NH2 TYR 144.A O no hydrogen 3.273 N/A LEU 35.A N GLU 31.A O no hydrogen 3.221 N/A VAL 36.A N GLY 32.A O no hydrogen 3.200 N/A ALA 37.A N GLN 33.A O no hydrogen 2.779 N/A LEU 38.A N ARG 34.A O no hydrogen 2.927 N/A LYS 39.A N LEU 35.A O no hydrogen 2.968 N/A LYS 39.A NZ GLN 69.A O no hydrogen 3.434 N/A LYS 40.A N VAL 36.A O no hydrogen 2.933 N/A PHE 41.A N ALA 37.A O no hydrogen 2.975 N/A VAL 42.A N LEU 38.A O no hydrogen 2.895 N/A ALA 43.A N LYS 39.A O no hydrogen 2.990 N/A VAL 44.A N LYS 40.A O no hydrogen 3.050 N/A LEU 45.A N PHE 41.A O no hydrogen 2.861 N/A ALA 46.A N VAL 42.A O no hydrogen 2.834 N/A LYS 47.A N ALA 43.A O no hydrogen 3.232 N/A TYR 48.A N VAL 44.A O no hydrogen 2.746 N/A TYR 48.A OH GLN 129.A OE1 no hydrogen 2.734 N/A PHE 49.A N LEU 45.A O no hydrogen 2.904 N/A GLY 51.A N PHE 49.A O no hydrogen 2.868 N/A GLY 51.A N GLN 56.A OE1 no hydrogen 3.096 N/A GLN 56.A N ARG 52.A O no hydrogen 2.831 N/A GLN 56.A NE2 LEU 45.A O no hydrogen 3.464 N/A GLN 56.A NE2 ALA 46.A O no hydrogen 2.805 N/A ASN 57.A N PRO 53.A O no hydrogen 2.941 N/A PHE 58.A N LEU 54.A O no hydrogen 2.987 N/A LEU 59.A N VAL 55.A O no hydrogen 2.908 N/A HIS 60.A N GLN 56.A O no hydrogen 3.028 N/A SER 61.A N ASN 57.A O no hydrogen 2.986 N/A VAL 62.A N PHE 58.A O no hydrogen 2.971 N/A ASN 63.A N LEU 59.A O no hydrogen 2.822 N/A GLU 64.A N HIS 60.A O no hydrogen 2.922 N/A TRP 65.A N SER 61.A O no hydrogen 3.048 N/A LEU 66.A N VAL 62.A O no hydrogen 2.977 N/A LYS 67.A N ASN 63.A O no hydrogen 2.998 N/A LYS 67.A NZ GLU 64.A OE1 no hydrogen 3.211 N/A LYS 67.A NZ GLU 64.A OE2 no hydrogen 2.771 N/A ARG 68.A N GLU 64.A O no hydrogen 3.066 N/A ARG 68.A N TRP 65.A O no hydrogen 3.244 N/A ARG 68.A NE GLU 64.A O no hydrogen 3.345 N/A GLN 69.A N TRP 65.A O no hydrogen 3.301 N/A GLN 69.A N LEU 66.A O no hydrogen 3.148 N/A GLN 69.A NE2 TRP 65.A O no hydrogen 2.883 N/A ILE 74.A N LEU 30.A O no hydrogen 2.822 N/A TYR 76.A N PRO 28.A O no hydrogen 2.915 N/A TYR 76.A OH LEU 20.A O no hydrogen 2.690 N/A PHE 78.A N PRO 75.A O no hydrogen 2.927 N/A PHE 79.A N PRO 75.A O no hydrogen 3.131 N/A LYS 80.A N TYR 76.A O no hydrogen 2.730 N/A LYS 80.A NZ ASP 84.A OD2 no hydrogen 2.876 N/A THR 81.A N SER 77.A O no hydrogen 3.125 N/A THR 81.A OG1 SER 77.A O no hydrogen 3.080 N/A ALA 82.A N PHE 78.A O no hydrogen 3.293 N/A LEU 83.A N PHE 79.A O no hydrogen 3.030 N/A ASP 84.A N LYS 80.A O no hydrogen 2.879 N/A ASP 85.A N THR 81.A O no hydrogen 2.851 N/A ARG 86.A N ALA 82.A O no hydrogen 3.170 N/A ARG 86.A N LEU 83.A O no hydrogen 3.108 N/A ARG 86.A NE SER 61.A O no hydrogen 3.386 N/A ARG 86.A NH1 ALA 82.A O no hydrogen 2.854 N/A LYS 87.A N ASP 84.A O no hydrogen 2.942 N/A GLU 88.A N LEU 83.A O no hydrogen 3.204 N/A VAL 91.A N LYS 87.A O no hydrogen 2.889 N/A LEU 92.A N GLU 88.A O no hydrogen 2.691 N/A ASN 97.A N SER 14.A OG no hydrogen 2.926 N/A ILE 99.A N ASP 11.A OD1 no hydrogen 2.768 N/A GLY 100.A N ASP 11.A OD2 no hydrogen 2.704 N/A CYS 101.A N ASP 11.A OD1 no hydrogen 3.203 N/A SER 104.A N ASP 194.A OD1 no hydrogen 2.816 N/A SER 104.A OG ASP 194.A OD2 no hydrogen 2.457 N/A PHE 108.A N GLU 105.A O no hydrogen 2.806 N/A ARG 109.A NH1 GLY 100.A O no hydrogen 3.294 N/A ARG 109.A NH1 GLN 102.A O no hydrogen 2.987 N/A ARG 109.A NH2 GLY 100.A O no hydrogen 3.034 N/A GLY 110.A N CYS 101.A O no hydrogen 2.942 N/A CYS 113.A SG GLY 100.A O no hydrogen 4.039 N/A SER 114.A N GLY 110.A O no hydrogen 3.039 N/A SER 114.A OG PHE 111.A O no hydrogen 2.647 N/A LEU 115.A N PHE 111.A O no hydrogen 2.766 N/A TRP 116.A N PRO 112.A O no hydrogen 3.216 N/A VAL 117.A N CYS 113.A O no hydrogen 3.136 N/A LEU 118.A N SER 114.A O no hydrogen 2.952 N/A PHE 119.A N LEU 115.A O no hydrogen 2.842 N/A HIS 120.A N TRP 116.A O no hydrogen 2.923 N/A HIS 120.A NE2 HIS 180.A ND1 no hydrogen 2.798 N/A PHE 121.A N VAL 117.A O no hydrogen 2.965 N/A LEU 122.A N LEU 118.A O no hydrogen 2.939 N/A THR 123.A N PHE 119.A O no hydrogen 3.074 N/A THR 123.A OG1 HIS 120.A O no hydrogen 2.662 N/A VAL 124.A N HIS 120.A O no hydrogen 3.013 N/A GLN 125.A N PHE 121.A O no hydrogen 2.868 N/A GLN 125.A NE2 TYR 48.A O no hydrogen 2.834 N/A ALA 126.A N LEU 122.A O no hydrogen 3.123 N/A ALA 127.A N VAL 124.A O no hydrogen 2.924 N/A ARG 128.A N VAL 124.A O no hydrogen 3.023 N/A ARG 128.A N GLN 125.A O no hydrogen 3.289 N/A ARG 128.A NE VAL 124.A O no hydrogen 3.470 N/A GLU 133.A N LYS 130.A O no hydrogen 2.617 N/A VAL 134.A N ALA 131.A O no hydrogen 3.120 N/A ALA 137.A N GLU 133.A O no hydrogen 3.004 N/A ILE 138.A N VAL 134.A O no hydrogen 2.883 N/A ARG 139.A N LEU 135.A O no hydrogen 2.828 N/A ARG 139.A NE GLU 156.A OE1 no hydrogen 2.787 N/A ARG 139.A NE GLU 156.A OE2 no hydrogen 3.360 N/A ARG 139.A NH2 GLU 156.A OE2 no hydrogen 2.431 N/A GLY 140.A N PRO 136.A O no hydrogen 2.714 N/A TYR 141.A N ALA 137.A O no hydrogen 2.912 N/A TYR 141.A OH GLU 23.A OE1 no hydrogen 2.598 N/A VAL 142.A N ILE 138.A O no hydrogen 2.979 N/A HIS 143.A N ARG 139.A O no hydrogen 3.006 N/A TYR 144.A N GLY 140.A O no hydrogen 3.086 N/A PHE 145.A N TYR 141.A O no hydrogen 2.821 N/A PHE 146.A N TYR 141.A O no hydrogen 3.351 N/A PHE 146.A N VAL 142.A O no hydrogen 3.324 N/A GLY 147.A N GLU 23.A OE2 no hydrogen 2.706 N/A ALA 152.A N CYS 148.A O no hydrogen 2.921 N/A SER 153.A N ARG 149.A O no hydrogen 2.713 N/A SER 153.A OG ARG 149.A O no hydrogen 2.779 N/A SER 153.A OG ASP 150.A O no hydrogen 2.615 N/A PHE 155.A N ALA 152.A O no hydrogen 2.588 N/A GLU 156.A N ALA 152.A O no hydrogen 3.129 N/A GLN 157.A N SER 153.A O no hydrogen 3.153 N/A ALA 159.A N PHE 155.A O no hydrogen 3.182 N/A ALA 160.A N GLU 156.A O no hydrogen 3.288 N/A SER 162.A N MET 158.A O no hydrogen 2.981 N/A SER 162.A N ALA 159.A O no hydrogen 3.057 N/A MET 163.A N ALA 159.A O no hydrogen 2.514 N/A ARG 165.A N SER 162.A O no hydrogen 2.654 N/A VAL 166.A N MET 163.A O no hydrogen 3.263 N/A ALA 171.A N SER 168.A OG no hydrogen 3.277 N/A ALA 172.A N SER 168.A O no hydrogen 2.860 N/A VAL 173.A N PRO 169.A O no hydrogen 3.017 N/A LEU 174.A N ASN 170.A O no hydrogen 3.060 N/A TRP 175.A N ALA 171.A O no hydrogen 2.722 N/A TRP 175.A NE1 SER 162.A OG no hydrogen 3.067 N/A LEU 176.A N ALA 172.A O no hydrogen 3.117 N/A TRP 177.A N VAL 173.A O no hydrogen 3.124 N/A TRP 177.A NE1 TRP 202.A O no hydrogen 2.845 N/A SER 178.A N LEU 174.A O no hydrogen 2.932 N/A SER 178.A OG LEU 174.A O no hydrogen 3.153 N/A SER 178.A OG TRP 175.A O no hydrogen 3.346 N/A SER 179.A N TRP 175.A O no hydrogen 2.937 N/A SER 179.A OG TRP 175.A O no hydrogen 2.861 N/A HIS 180.A N LEU 176.A O no hydrogen 2.861 N/A HIS 180.A ND1 HIS 120.A NE2 no hydrogen 2.798 N/A ASN 181.A N TRP 177.A O no hydrogen 3.083 N/A ASN 181.A ND2 TRP 202.A O no hydrogen 2.765 N/A ARG 182.A N SER 178.A O no hydrogen 3.007 N/A VAL 183.A N SER 179.A O no hydrogen 3.237 N/A ASN 184.A N HIS 180.A O no hydrogen 2.860 N/A ASN 184.A ND2 ASN 181.A OD1 no hydrogen 3.023 N/A ASN 184.A ND2 VAL 200.A O no hydrogen 3.301 N/A ALA 185.A N ASN 181.A O no hydrogen 2.929 N/A ARG 186.A N ARG 182.A O no hydrogen 3.471 N/A ARG 186.A NH1 ARG 182.A O no hydrogen 3.038 N/A LEU 187.A N VAL 183.A O no hydrogen 3.098 N/A ALA 188.A N ASN 184.A O no hydrogen 2.883 N/A GLY 189.A N GLU 193.A OE2 no hydrogen 2.737 N/A ALA 190.A N LEU 187.A O no hydrogen 2.998 N/A GLU 193.A N ALA 190.A O no hydrogen 2.841 N/A GLN 196.A N ASP 194.A OD2 no hydrogen 3.127 N/A PHE 197.A N ASP 194.A O no hydrogen 2.860 N/A LYS 199.A N GLU 193.A OE2 no hydrogen 2.812 N/A GLN 201.A NE2 ASN 181.A O no hydrogen 3.131 N/A TRP 202.A N ASN 181.A OD1 no hydrogen 2.819 N/A ARG 205.A NH2 GLU 214.A OE1 no hydrogen 2.618 N/A LEU 207.A N PRO 204.A O no hydrogen 2.961 N/A CYS 208.A N PRO 204.A O no hydrogen 3.040 N/A HIS 212.A N SER 209.A O no hydrogen 3.276 N/A HIS 212.A NE2 PRO 203.A O no hydrogen 2.764 N/A ASN 213.A N VAL 220.A O no hydrogen 2.985 N/A ASN 213.A ND2 PRO 219.A O no hydrogen 2.976 N/A ASP 222.A N CYS 211.A O no hydrogen 2.760 N/A ALA 225.A N ASP 222.A OD1 no hydrogen 2.899 N/A THR 226.A N ASP 222.A O no hydrogen 2.810 N/A THR 226.A OG1 ASP 222.A O no hydrogen 2.735 N/A LEU 227.A N VAL 223.A O no hydrogen 2.936 N/A ASN 228.A N GLU 224.A O no hydrogen 3.142 N/A PHE 229.A N ALA 225.A O no hydrogen 2.881 N/A LEU 230.A N THR 226.A O no hydrogen 2.848 N/A LYS 231.A N LEU 227.A O no hydrogen 2.974 N/A LYS 231.A NZ ASN 170.A OD1 no hydrogen 2.747 N/A ALA 232.A N ASN 228.A O no hydrogen 2.960 N/A HIS 233.A N PHE 229.A O no hydrogen 2.695 N/A PHE 234.A N LEU 230.A O no hydrogen 2.933 N/A SER 235.A OG ALA 232.A O no hydrogen 2.818 N/A SER 235.A OG SER 237.A OG no hydrogen 3.200 N/A SER 237.A OG SER 235.A OG no hydrogen 3.200 N/A ASN 238.A N SER 235.A O no hydrogen 2.862 N/A ASN 238.A ND2 SER 5.A O no hydrogen 2.887 N/A ASN 238.A ND2 HIS 233.A O no hydrogen 2.799 N/A ILE 239.A N PRO 236.A O no hydrogen 3.210 N/A ILE 240.A N ILE 7.A O no hydrogen 2.642 N/A