Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1t80_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N ILE 101.A O no hydrogen 2.971 N/A TYR 4.A OH ASP 178.A OD1 no hydrogen 2.557 N/A SER 5.A N ASN 30.A OD1 no hydrogen 3.005 N/A LEU 6.A N CYS 99.A O no hydrogen 2.879 N/A THR 7.A N SER 28.A O no hydrogen 2.949 N/A TYR 8.A N PHE 97.A O no hydrogen 2.759 N/A ILE 9.A N LEU 26.A O no hydrogen 2.987 N/A TYR 10.A N GLY 95.A O no hydrogen 2.805 N/A TYR 10.A OH GLN 66.A OE1 no hydrogen 2.730 N/A THR 11.A N GLN 24.A O no hydrogen 2.814 N/A GLY 12.A N LEU 93.A O no hydrogen 2.861 N/A LEU 13.A N ALA 22.A O no hydrogen 2.724 N/A SER 14.A N HIS 91.A O no hydrogen 2.923 N/A SER 14.A OG HIS 91.A O no hydrogen 3.449 N/A LYS 15.A NZ SER 87.A O no hydrogen 2.595 N/A LYS 15.A NZ GLY 89.A O no hydrogen 3.162 N/A HIS 16.A ND1 VAL 17.A O no hydrogen 3.081 N/A VAL 20.A N VAL 17.A O no hydrogen 3.102 N/A PHE 23.A N SER 39.A OG no hydrogen 3.033 N/A GLN 24.A N THR 11.A O no hydrogen 2.813 N/A ALA 25.A N TYR 37.A O no hydrogen 2.735 N/A LEU 26.A N ILE 9.A O no hydrogen 3.076 N/A GLY 27.A N PHE 35.A O no hydrogen 3.222 N/A SER 28.A N THR 7.A O no hydrogen 2.794 N/A LEU 29.A N LEU 32.A O no hydrogen 2.795 N/A ASN 30.A N SER 5.A O no hydrogen 3.010 N/A ASN 30.A ND2 ARG 3.A O no hydrogen 3.651 N/A LEU 32.A N LEU 29.A O no hydrogen 3.051 N/A GLN 33.A N ASN 233.A OD1 no hydrogen 2.958 N/A PHE 34.A N GLY 27.A O no hydrogen 2.843 N/A ARG 36.A N GLN 45.A O no hydrogen 3.075 N/A ARG 36.A NE GLN 45.A OE1 no hydrogen 3.376 N/A ARG 36.A NH2 GLN 45.A OE1 no hydrogen 3.498 N/A TYR 37.A N ALA 25.A O no hydrogen 2.960 N/A TYR 37.A OH GLU 70.A OE1 no hydrogen 2.642 N/A ASN 38.A ND2 ASP 41.A OD2 no hydrogen 3.437 N/A SER 39.A N PHE 23.A O no hydrogen 2.842 N/A SER 39.A OG PHE 23.A O no hydrogen 3.432 N/A LYS 40.A N ASN 38.A OD1 no hydrogen 2.651 N/A ASP 41.A N ASN 38.A OD1 no hydrogen 2.974 N/A ARG 42.A N ASN 38.A O no hydrogen 2.895 N/A ARG 42.A NH1 SER 39.A O no hydrogen 2.758 N/A LYS 43.A NZ ARG 42.A O no hydrogen 3.372 N/A SER 44.A N SER 63.A OG no hydrogen 2.939 N/A SER 44.A OG ASP 62.A OD2 no hydrogen 3.031 N/A GLN 45.A N ARG 36.A O no hydrogen 2.945 N/A MET 47.A N PHE 34.A O no hydrogen 2.777 N/A TRP 50.A N MET 47.A O no hydrogen 3.093 N/A TRP 50.A NE1 SER 173.A OG no hydrogen 2.855 N/A ARG 51.A N GLY 48.A O no hydrogen 3.063 N/A ARG 51.A NE GLY 48.A O no hydrogen 2.922 N/A ARG 51.A NH2 GLY 234.A O no hydrogen 3.345 N/A GLN 52.A N LEU 49.A O no hydrogen 3.132 N/A VAL 53.A N TRP 50.A O no hydrogen 3.202 N/A ASP 58.A N GLU 57.A OE2 no hydrogen 3.251 N/A GLN 61.A N ASP 58.A O no hydrogen 2.996 N/A GLN 61.A N ASP 58.A OD1 no hydrogen 3.003 N/A ASP 62.A N ASP 58.A O no hydrogen 2.936 N/A SER 63.A N TRP 59.A O no hydrogen 2.903 N/A SER 63.A OG TRP 59.A O no hydrogen 2.782 N/A LEU 65.A N GLN 61.A O no hydrogen 3.172 N/A GLN 66.A N ASP 62.A O no hydrogen 2.866 N/A GLN 66.A NE2 ASP 62.A OD2 no hydrogen 3.272 N/A LYS 67.A N SER 63.A O no hydrogen 3.110 N/A ALA 68.A N GLN 64.A O no hydrogen 3.217 N/A ARG 69.A N LEU 65.A O no hydrogen 2.771 N/A ARG 69.A NH1 TYR 10.A OH no hydrogen 2.962 N/A GLU 70.A N GLN 66.A O no hydrogen 2.677 N/A ASP 71.A N LYS 67.A O no hydrogen 3.018 N/A ILE 72.A N ALA 68.A O no hydrogen 3.253 N/A PHE 73.A N ARG 69.A O no hydrogen 2.858 N/A MET 74.A N GLU 70.A O no hydrogen 2.892 N/A GLU 75.A N ASP 71.A O no hydrogen 3.159 N/A THR 76.A N ILE 72.A O no hydrogen 3.001 N/A THR 76.A OG1 ILE 72.A O no hydrogen 2.846 N/A LEU 77.A N PHE 73.A O no hydrogen 3.110 N/A LYS 78.A N MET 74.A O no hydrogen 2.755 N/A LYS 78.A NZ ASP 79.A OD1 no hydrogen 3.475 N/A ASP 79.A N GLU 75.A O no hydrogen 2.866 N/A ILE 80.A N THR 76.A O no hydrogen 3.087 N/A VAL 81.A N LEU 77.A O no hydrogen 2.990 N/A GLU 82.A N LYS 78.A O no hydrogen 2.940 N/A TYR 83.A N ASP 79.A O no hydrogen 2.922 N/A TYR 84.A N ILE 80.A O no hydrogen 3.144 N/A TYR 84.A OH ASP 134.A OD1 no hydrogen 2.489 N/A TYR 84.A OH ASP 134.A OD2 no hydrogen 3.176 N/A LYS 85.A N GLU 82.A O no hydrogen 2.940 N/A ASP 86.A N VAL 81.A O no hydrogen 3.264 N/A THR 88.A OG1 ASP 86.A OD1 no hydrogen 3.379 N/A GLY 89.A N ASP 86.A O no hydrogen 3.105 N/A HIS 91.A N SER 14.A OG no hydrogen 2.841 N/A HIS 91.A ND1 ASP 116.A OD2 no hydrogen 2.798 N/A HIS 91.A NE2 ASP 86.A OD2 no hydrogen 2.746 N/A VAL 92.A N ASP 116.A OD1 no hydrogen 2.946 N/A LEU 93.A N GLY 12.A O no hydrogen 3.003 N/A GLN 94.A N TYR 114.A O no hydrogen 2.836 N/A GLY 95.A N TYR 10.A O no hydrogen 2.822 N/A ARG 96.A N LYS 112.A O no hydrogen 2.863 N/A PHE 97.A N TYR 8.A O no hydrogen 3.003 N/A GLY 98.A N PHE 110.A O no hydrogen 3.123 N/A CYS 99.A N LEU 6.A O no hydrogen 2.962 N/A GLU 100.A N GLY 108.A O no hydrogen 2.847 N/A ILE 101.A N TYR 4.A O no hydrogen 2.862 N/A GLU 102.A N ARG 105.A O no hydrogen 2.813 N/A ASN 103.A N GLY 2.A O no hydrogen 3.242 N/A ASN 103.A ND2 ASP 1.A O no hydrogen 2.679 N/A ARG 105.A N GLU 102.A O no hydrogen 2.949 N/A SER 107.A N GLU 100.A O no hydrogen 2.863 N/A SER 107.A OG GLU 100.A OE1 no hydrogen 3.417 N/A PHE 110.A N GLY 98.A O no hydrogen 3.084 N/A TRP 111.A NE1 TYR 113.A OH no hydrogen 2.935 N/A LYS 112.A N ARG 96.A O no hydrogen 2.910 N/A LYS 112.A NZ ASP 119.A OD1 no hydrogen 3.220 N/A LYS 112.A NZ ASP 119.A OD2 no hydrogen 3.048 N/A TYR 113.A N ILE 121.A O no hydrogen 2.789 N/A TYR 114.A N GLN 94.A O no hydrogen 2.734 N/A TYR 115.A N LYS 118.A O no hydrogen 2.810 N/A ASP 116.A N VAL 92.A O no hydrogen 2.851 N/A LYS 118.A N TYR 115.A O no hydrogen 2.928 N/A LYS 118.A NZ ASP 116.A O no hydrogen 2.752 N/A TYR 120.A N TYR 113.A O no hydrogen 2.801 N/A TYR 120.A OH THR 140.A OG1 no hydrogen 2.600 N/A ILE 121.A N TYR 113.A O no hydrogen 3.468 N/A GLU 122.A N VAL 131.A O no hydrogen 3.106 N/A PHE 123.A N TRP 111.A O no hydrogen 2.932 N/A ASN 124.A N ALA 129.A O no hydrogen 2.872 N/A LYS 125.A NZ GLU 159.A OE2 no hydrogen 3.414 N/A GLU 126.A N ASN 124.A OD1 no hydrogen 2.972 N/A ILE 127.A N ASN 124.A O no hydrogen 3.346 N/A ALA 129.A N ASN 124.A O no hydrogen 2.961 N/A TRP 130.A N GLU 145.A OE2 no hydrogen 2.880 N/A VAL 131.A N GLU 122.A O no hydrogen 2.737 N/A PHE 133.A N TYR 120.A O no hydrogen 2.945 N/A ASP 134.A N TYR 120.A O no hydrogen 3.398 N/A ALA 136.A N ASP 134.A OD1 no hydrogen 2.858 N/A ALA 137.A N ASP 134.A O no hydrogen 2.858 N/A GLN 138.A N PRO 135.A O no hydrogen 3.121 N/A ILE 139.A N ALA 136.A O no hydrogen 3.027 N/A THR 140.A N ALA 136.A O no hydrogen 3.309 N/A THR 140.A OG1 TYR 120.A OH no hydrogen 2.600 N/A THR 140.A OG1 ALA 136.A O no hydrogen 3.495 N/A LYS 141.A N ALA 137.A O no hydrogen 2.761 N/A LYS 141.A NZ TRP 130.A O no hydrogen 2.999 N/A LYS 141.A NZ GLU 145.A OE1 no hydrogen 2.734 N/A LYS 141.A NZ GLU 145.A OE2 no hydrogen 2.989 N/A GLN 142.A N GLN 138.A O no hydrogen 3.097 N/A LYS 143.A N ILE 139.A O no hydrogen 3.019 N/A LYS 143.A NZ ASP 79.A OD2 no hydrogen 3.307 N/A TRP 144.A N THR 140.A O no hydrogen 2.847 N/A GLU 145.A N GLN 142.A O no hydrogen 3.416 N/A ALA 146.A N LYS 143.A O no hydrogen 3.455 N/A TYR 150.A N GLU 147.A O no hydrogen 3.042 N/A ARG 153.A N VAL 149.A O no hydrogen 2.780 N/A ALA 154.A N TYR 150.A O no hydrogen 3.040 N/A LYS 155.A N VAL 151.A O no hydrogen 2.956 N/A LYS 155.A NZ LYS 125.A O no hydrogen 3.138 N/A LYS 155.A NZ GLU 159.A OE1 no hydrogen 3.383 N/A LYS 155.A NZ GLU 159.A OE2 no hydrogen 2.723 N/A ALA 156.A N GLN 152.A O no hydrogen 2.922 N/A TYR 157.A N ARG 153.A O no hydrogen 2.817 N/A LEU 158.A N ALA 154.A O no hydrogen 3.265 N/A GLU 159.A N LYS 155.A O no hydrogen 2.922 N/A GLU 160.A N ALA 156.A O no hydrogen 2.708 N/A GLU 161.A N ALA 156.A O no hydrogen 2.992 N/A CYS 162.A N TYR 157.A O no hydrogen 2.715 N/A CYS 162.A SG TYR 157.A OH no hydrogen 3.817 N/A ALA 164.A N GLU 160.A O no hydrogen 3.143 N/A THR 165.A N GLU 161.A O no hydrogen 2.904 N/A THR 165.A OG1 GLU 161.A O no hydrogen 3.158 N/A LEU 166.A N CYS 162.A O no hydrogen 2.904 N/A ARG 167.A N PRO 163.A O no hydrogen 2.917 N/A ARG 167.A NH1 ASN 104.A O no hydrogen 3.050 N/A ARG 167.A NH2 ASN 104.A O no hydrogen 2.477 N/A LYS 168.A N ALA 164.A O no hydrogen 2.986 N/A TYR 169.A N THR 165.A O no hydrogen 2.897 N/A TYR 169.A OH GLU 57.A OE1 no hydrogen 2.592 N/A LEU 170.A N LEU 166.A O no hydrogen 2.847 N/A LYS 171.A N ARG 167.A O no hydrogen 3.221 N/A LYS 171.A N LYS 168.A O no hydrogen 2.881 N/A TYR 172.A N TYR 169.A O no hydrogen 3.139 N/A SER 173.A N LEU 170.A O no hydrogen 3.369 N/A SER 173.A OG TYR 169.A O no hydrogen 2.704 N/A ILE 176.A N SER 173.A O no hydrogen 2.833 N/A LEU 177.A N SER 173.A O no hydrogen 2.831 N/A ASP 178.A N LYS 174.A O no hydrogen 3.198 N/A ARG 179.A NE ASP 181.A OD2 no hydrogen 3.004 N/A ARG 179.A NH1 ILE 176.A O no hydrogen 3.115 N/A ARG 179.A NH1 GLY 236.A O no hydrogen 3.112 N/A ARG 179.A NH2 ASP 181.A OD2 no hydrogen 2.931 N/A ARG 179.A NH2 GLY 236.A O no hydrogen 2.667 N/A GLN 180.A NE2 SER 261.A OG no hydrogen 2.967 N/A ASP 181.A N TYR 207.A O no hydrogen 2.879 N/A SER 184.A N TYR 204.A O no hydrogen 2.936 N/A VAL 186.A N LEU 202.A O no hydrogen 2.925 N/A THR 188.A N LYS 200.A O no hydrogen 2.806 N/A HIS 190.A N LYS 198.A O no hydrogen 2.939 N/A GLU 195.A N ALA 192.A O no hydrogen 2.708 N/A LYS 198.A N HIS 190.A O no hydrogen 2.896 N/A LYS 198.A NZ GLU 195.A OE1 no hydrogen 3.259 N/A LEU 199.A N VAL 244.A O no hydrogen 2.731 N/A LYS 200.A N THR 188.A O no hydrogen 2.609 N/A CYS 201.A N VAL 242.A O no hydrogen 2.928 N/A LEU 202.A N VAL 186.A O no hydrogen 3.038 N/A ALA 203.A N SER 240.A O no hydrogen 2.888 N/A TYR 204.A N SER 184.A O no hydrogen 2.854 N/A PHE 206.A N TYR 238.A O no hydrogen 3.427 N/A TYR 207.A N ASP 181.A O no hydrogen 3.202 N/A TYR 207.A OH ASP 31.A OD1 no hydrogen 2.615 N/A ASP 212.A N GLN 259.A O no hydrogen 3.045 N/A HIS 214.A N HIS 257.A O no hydrogen 2.977 N/A HIS 214.A ND1 ASP 212.A OD1 no hydrogen 2.839 N/A TRP 215.A NE1 VAL 242.A O no hydrogen 3.262 N/A THR 216.A N SER 255.A O no hydrogen 3.104 N/A THR 216.A OG1 SER 255.A O no hydrogen 2.851 N/A THR 216.A OG1 HIS 257.A NE2 no hydrogen 2.840 N/A ARG 217.A N GLU 220.A O no hydrogen 2.695 N/A ARG 217.A NE ASP 250.A OD2 no hydrogen 2.828 N/A ARG 217.A NH2 ASP 250.A OD2 no hydrogen 2.565 N/A ALA 218.A N PRO 253.A O no hydrogen 3.086 N/A GLU 220.A N ARG 217.A O no hydrogen 3.153 N/A GLN 222.A N TRP 215.A O no hydrogen 3.029 N/A GLN 222.A NE2 GLU 220.A O no hydrogen 2.800 N/A GLU 225.A N VAL 243.A O no hydrogen 2.657 N/A LEU 226.A N VAL 243.A O no hydrogen 3.368 N/A GLY 228.A N TRP 241.A O no hydrogen 3.150 N/A VAL 230.A N GLN 239.A O no hydrogen 2.918 N/A HIS 232.A N THR 237.A O no hydrogen 2.835 N/A ASN 233.A ND2 GLN 33.A O no hydrogen 3.055 N/A GLY 236.A N HIS 232.A O no hydrogen 2.705 N/A THR 237.A N HIS 232.A O no hydrogen 3.233 N/A TYR 238.A N PHE 206.A O no hydrogen 2.829 N/A TYR 238.A OH ASP 31.A OD2 no hydrogen 2.561 N/A GLN 239.A N VAL 230.A O no hydrogen 3.096 N/A SER 240.A N ALA 203.A O no hydrogen 2.768 N/A TRP 241.A N GLY 228.A O no hydrogen 2.892 N/A VAL 242.A N CYS 201.A O no hydrogen 3.074 N/A VAL 243.A N LEU 226.A O no hydrogen 2.785 N/A VAL 244.A N LEU 199.A O no hydrogen 2.973 N/A VAL 246.A N LYS 197.A O no hydrogen 2.786 N/A ASP 250.A N PRO 247.A O no hydrogen 2.865 N/A TYR 254.A OH ASP 250.A OD2 no hydrogen 3.365 N/A SER 255.A N THR 216.A O no hydrogen 3.336 N/A CYS 256.A N VAL 269.A O no hydrogen 2.928 N/A HIS 257.A N HIS 214.A O no hydrogen 2.770 N/A HIS 257.A NE2 THR 216.A OG1 no hydrogen 2.840 N/A VAL 258.A N LEU 267.A O no hydrogen 2.979 N/A GLN 259.A N ASP 212.A O no hydrogen 2.948 N/A HIS 260.A N GLN 259.A OE1 no hydrogen 2.921 N/A HIS 260.A ND1 SER 262.A OG no hydrogen 2.796 N/A HIS 260.A NE2 PRO 208.A O no hydrogen 2.952 N/A SER 262.A N HIS 260.A ND1 no hydrogen 3.091 N/A SER 262.A OG HIS 260.A ND1 no hydrogen 2.796 N/A LEU 263.A N HIS 260.A O no hydrogen 2.971 N/A LEU 267.A N VAL 258.A O no hydrogen 2.863 N/A VAL 269.A N CYS 256.A O no hydrogen 2.819 N/A TRP 271.A N TYR 254.A O no hydrogen 2.671 N/A