Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1isq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N GLU 64.A O no hydrogen 3.285 N/A PRO 1.A N GLU 66.A OE2 no hydrogen 2.537 N/A PHE 2.A N LYS 92.A O no hydrogen 2.956 N/A GLU 3.A N GLU 61.A O no hydrogen 3.045 N/A ILE 4.A N LEU 90.A O no hydrogen 2.742 N/A VAL 5.A N LYS 59.A O no hydrogen 2.899 N/A PHE 6.A N LEU 88.A O no hydrogen 2.831 N/A GLY 8.A N ASP 86.A O no hydrogen 3.011 N/A ALA 9.A N ASP 86.A O no hydrogen 3.006 N/A LYS 10.A N LYS 83.A O no hydrogen 3.254 N/A PHE 12.A N GLY 8.A O no hydrogen 3.197 N/A ALA 13.A N ALA 9.A O no hydrogen 2.860 N/A GLN 14.A N LYS 10.A O no hydrogen 2.969 N/A LEU 15.A N GLU 11.A O no hydrogen 3.189 N/A ILE 16.A N PHE 12.A O no hydrogen 3.033 N/A ASP 17.A N ALA 13.A O no hydrogen 2.647 N/A THR 18.A N GLN 14.A O no hydrogen 2.767 N/A THR 18.A OG1 GLN 14.A O no hydrogen 3.209 N/A THR 18.A OG1 TYR 224.A OH no hydrogen 3.403 N/A ALA 19.A N LEU 15.A O no hydrogen 3.185 N/A SER 20.A N ILE 16.A O no hydrogen 2.967 N/A SER 20.A OG ASP 17.A O no hydrogen 2.894 N/A LYS 21.A N THR 18.A O no hydrogen 3.267 N/A LYS 21.A NZ ASP 17.A OD1 no hydrogen 2.739 N/A LYS 21.A NZ ASP 17.A OD2 no hydrogen 3.271 N/A LEU 22.A N ALA 19.A O no hydrogen 3.257 N/A ILE 23.A N ALA 19.A O no hydrogen 3.155 N/A ALA 26.A N VAL 70.A O no hydrogen 2.948 N/A PHE 28.A N ILE 68.A O no hydrogen 2.855 N/A LYS 29.A N SER 36.A O no hydrogen 2.860 N/A LYS 29.A NZ THR 67.A OG1 no hydrogen 3.135 N/A VAL 30.A N GLU 66.A O no hydrogen 2.832 N/A THR 31.A N GLY 34.A O no hydrogen 3.197 N/A THR 31.A OG1 GLY 34.A O no hydrogen 3.367 N/A ILE 35.A N LEU 52.A O no hydrogen 2.711 N/A SER 36.A N LYS 29.A O no hydrogen 3.062 N/A MET 37.A N LEU 50.A O no hydrogen 2.853 N/A ALA 39.A N ILE 48.A O no hydrogen 3.013 N/A ASP 41.A N VAL 46.A O no hydrogen 2.853 N/A SER 43.A N ASP 41.A OD2 no hydrogen 2.960 N/A SER 43.A OG ASP 41.A OD2 no hydrogen 2.659 N/A SER 43.A OG TYR 196.A OH no hydrogen 2.815 N/A ARG 44.A N ASP 41.A O no hydrogen 2.919 N/A ARG 44.A NE ASP 41.A O no hydrogen 3.197 N/A ARG 44.A NH2 ASP 41.A O no hydrogen 3.328 N/A VAL 45.A N ASP 41.A OD1 no hydrogen 2.799 N/A VAL 46.A N ASP 41.A OD1 no hydrogen 2.613 N/A LEU 47.A N LEU 235.A O no hydrogen 2.844 N/A ILE 48.A N ALA 39.A O no hydrogen 2.714 N/A ASP 49.A N THR 233.A O no hydrogen 2.683 N/A LEU 50.A N MET 37.A O no hydrogen 2.804 N/A ASN 51.A N ARG 231.A O no hydrogen 2.818 N/A LEU 52.A N ILE 35.A O no hydrogen 2.669 N/A SER 54.A N ASP 33.A O no hydrogen 2.976 N/A ILE 56.A N PRO 53.A O no hydrogen 3.102 N/A PHE 57.A N SER 54.A O no hydrogen 2.946 N/A SER 58.A N VAL 5.A O no hydrogen 2.924 N/A SER 58.A OG VAL 5.A O no hydrogen 3.364 N/A SER 58.A OG GLU 7.A OE1 no hydrogen 2.662 N/A TYR 60.A OH THR 31.A O no hydrogen 2.747 N/A GLU 61.A N GLU 3.A O no hydrogen 3.128 N/A VAL 63.A N PRO 1.A O no hydrogen 3.257 N/A GLU 66.A N VAL 30.A O no hydrogen 2.979 N/A ILE 68.A N PHE 28.A O no hydrogen 2.910 N/A VAL 70.A N ALA 26.A O no hydrogen 2.953 N/A LEU 72.A N ASP 24.A O no hydrogen 2.801 N/A HIS 74.A N ASN 71.A OD1 no hydrogen 2.692 N/A LEU 75.A N ASN 71.A O no hydrogen 2.957 N/A LYS 76.A N LEU 72.A O no hydrogen 2.774 N/A LYS 76.A NZ ASP 17.A OD2 no hydrogen 2.715 N/A LYS 77.A N ASP 73.A O no hydrogen 3.286 N/A ILE 78.A N HIS 74.A O no hydrogen 3.278 N/A LEU 79.A N LEU 75.A O no hydrogen 3.002 N/A LYS 80.A N LYS 77.A O no hydrogen 3.289 N/A GLY 82.A N LEU 79.A O no hydrogen 2.938 N/A LYS 83.A N ASP 86.A OD1 no hydrogen 2.632 N/A LYS 83.A NZ ARG 81.A O no hydrogen 3.075 N/A ASP 86.A N LYS 83.A O no hydrogen 3.074 N/A THR 87.A N GLN 103.A O no hydrogen 2.730 N/A THR 87.A OG1 GLU 7.A OE2 no hydrogen 2.676 N/A LEU 88.A N PHE 6.A O no hydrogen 2.871 N/A ILE 89.A N THR 101.A O no hydrogen 2.788 N/A LEU 90.A N ILE 4.A O no hydrogen 2.721 N/A LYS 91.A N GLU 99.A O no hydrogen 2.897 N/A LYS 92.A N PHE 2.A O no hydrogen 2.827 N/A LYS 92.A NZ GLU 66.A OE1 no hydrogen 2.866 N/A LYS 92.A NZ GLU 66.A OE2 no hydrogen 3.414 N/A LYS 92.A NZ GLY 93.A O no hydrogen 2.825 N/A LYS 92.A NZ GLU 95.A O no hydrogen 3.190 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 2.489 N/A LEU 98.A N VAL 112.A O no hydrogen 2.906 N/A GLU 99.A N LYS 91.A O no hydrogen 2.821 N/A ILE 100.A N PHE 110.A O no hydrogen 2.897 N/A THR 101.A N ILE 89.A O no hydrogen 2.916 N/A ILE 102.A N ARG 108.A O no hydrogen 2.796 N/A GLN 103.A N THR 87.A O no hydrogen 2.717 N/A GLY 104.A N ALA 106.A O no hydrogen 3.010 N/A ARG 108.A N ILE 102.A O no hydrogen 2.983 N/A ARG 108.A NH2 ARG 81.A O no hydrogen 3.273 N/A PHE 110.A N ILE 100.A O no hydrogen 2.759 N/A ARG 111.A NH1 GLU 95.A OE2 no hydrogen 3.347 N/A VAL 112.A N LEU 98.A O no hydrogen 2.973 N/A LEU 114.A N ASN 96.A O no hydrogen 2.968 N/A PHE 123.A N LEU 121.A O no hydrogen 2.990 N/A THR 124.A N PHE 214.A O no hydrogen 2.956 N/A THR 124.A OG1 THR 188.A OG1 no hydrogen 2.602 N/A ALA 125.A N PHE 214.A O no hydrogen 3.217 N/A LYS 126.A N GLU 183.A O no hydrogen 2.975 N/A LYS 126.A NZ GLU 183.A OE2 no hydrogen 3.270 N/A VAL 127.A N ILE 212.A O no hydrogen 3.092 N/A VAL 128.A N ASP 181.A O no hydrogen 2.908 N/A VAL 129.A N VAL 210.A O no hydrogen 2.784 N/A LEU 130.A N GLY 178.A O no hydrogen 3.127 N/A GLY 131.A N ASP 208.A O no hydrogen 2.816 N/A GLU 132.A N LYS 206.A O no hydrogen 2.923 N/A VAL 133.A N LEU 130.A O no hydrogen 2.718 N/A LYS 135.A N GLY 131.A O no hydrogen 3.002 N/A LYS 135.A NZ VAL 201.A O no hydrogen 3.078 N/A LYS 135.A NZ LEU 204.A O no hydrogen 3.025 N/A ASP 136.A N GLU 132.A O no hydrogen 2.912 N/A ALA 137.A N VAL 133.A O no hydrogen 2.863 N/A VAL 138.A N LEU 134.A O no hydrogen 2.851 N/A LYS 139.A N LYS 135.A O no hydrogen 3.361 N/A ASP 140.A N ASP 136.A O no hydrogen 2.824 N/A ALA 141.A N ALA 137.A O no hydrogen 2.999 N/A SER 142.A N VAL 138.A O no hydrogen 2.914 N/A SER 142.A OG LYS 139.A O no hydrogen 2.594 N/A LEU 143.A N LYS 139.A O no hydrogen 3.240 N/A LEU 143.A N ASP 140.A O no hydrogen 2.968 N/A VAL 144.A N ALA 141.A O no hydrogen 2.939 N/A SER 145.A N ALA 141.A O no hydrogen 2.753 N/A SER 145.A OG ASP 146.A OD2 no hydrogen 3.451 N/A SER 145.A OG SER 147.A O no hydrogen 3.178 N/A SER 147.A N SER 145.A OG no hydrogen 2.822 N/A ILE 148.A N TYR 192.A O no hydrogen 2.980 N/A LYS 149.A N LYS 160.A O no hydrogen 2.652 N/A PHE 150.A N SER 190.A O no hydrogen 2.664 N/A ILE 151.A N ILE 158.A O no hydrogen 2.510 N/A ALA 152.A N THR 188.A O no hydrogen 2.851 N/A ARG 153.A N GLU 156.A O no hydrogen 2.902 N/A ARG 153.A NE GLU 187.A OE1 no hydrogen 2.680 N/A ARG 153.A NH1 GLU 156.A OE1 no hydrogen 2.709 N/A GLU 156.A N ARG 153.A O no hydrogen 3.353 N/A PHE 157.A N LEU 172.A O no hydrogen 3.002 N/A ILE 158.A N ILE 151.A O no hydrogen 2.616 N/A MET 159.A N ILE 170.A O no hydrogen 2.976 N/A LYS 160.A N LYS 149.A O no hydrogen 2.864 N/A ALA 161.A N VAL 168.A O no hydrogen 2.941 N/A GLY 163.A N GLN 166.A O no hydrogen 2.916 N/A VAL 168.A N ALA 161.A O no hydrogen 2.788 N/A ILE 170.A N MET 159.A O no hydrogen 2.760 N/A LYS 171.A NZ GLU 156.A OE2 no hydrogen 2.695 N/A LEU 172.A N PHE 157.A O no hydrogen 2.932 N/A THR 173.A N ASP 176.A OD2 no hydrogen 2.721 N/A THR 173.A OG1 ASP 176.A OD2 no hydrogen 3.497 N/A GLU 175.A N THR 173.A OG1 no hydrogen 3.212 N/A ASP 176.A N THR 173.A O no hydrogen 2.976 N/A LEU 179.A N ASP 176.A O no hydrogen 3.209 N/A LEU 180.A N VAL 128.A O no hydrogen 2.696 N/A GLU 183.A N LYS 126.A O no hydrogen 2.859 N/A GLN 185.A N THR 124.A O no hydrogen 2.948 N/A GLN 185.A NE2 GLN 185.A O no hydrogen 3.408 N/A THR 188.A N ALA 152.A O no hydrogen 2.840 N/A THR 188.A OG1 THR 124.A OG1 no hydrogen 2.602 N/A THR 188.A OG1 GLU 186.A O no hydrogen 2.791 N/A LYS 189.A N ASN 216.A OD1 no hydrogen 2.813 N/A SER 190.A N PHE 150.A O no hydrogen 3.120 N/A SER 190.A OG TYR 192.A OH no hydrogen 3.182 N/A SER 190.A OG MET 218.A O no hydrogen 3.102 N/A TYR 192.A N ILE 148.A O no hydrogen 2.828 N/A TYR 192.A OH MET 218.A O no hydrogen 2.643 N/A VAL 194.A N ASP 146.A O no hydrogen 3.002 N/A TYR 196.A OH SER 43.A OG no hydrogen 2.815 N/A LEU 197.A N GLY 193.A O no hydrogen 3.187 N/A SER 198.A N VAL 194.A O no hydrogen 2.721 N/A ASP 199.A N SER 195.A O no hydrogen 2.906 N/A MET 200.A N TYR 196.A O no hydrogen 2.857 N/A VAL 201.A N LEU 197.A O no hydrogen 2.772 N/A LYS 202.A N SER 198.A O no hydrogen 2.943 N/A LEU 204.A N VAL 201.A O no hydrogen 2.896 N/A GLY 205.A N ASP 208.A OD1 no hydrogen 3.161 N/A ASP 208.A N GLY 205.A O no hydrogen 3.305 N/A VAL 210.A N VAL 129.A O no hydrogen 2.848 N/A THR 211.A N GLU 223.A O no hydrogen 2.826 N/A ILE 212.A N VAL 127.A O no hydrogen 2.860 N/A LYS 213.A N GLN 221.A O no hydrogen 2.861 N/A PHE 214.A N ALA 125.A O no hydrogen 3.285 N/A GLU 217.A N LYS 189.A O no hydrogen 2.925 N/A MET 218.A N GLY 215.A O no hydrogen 3.106 N/A MET 220.A N LEU 236.A O no hydrogen 2.953 N/A GLN 221.A N LYS 213.A O no hydrogen 2.665 N/A MET 222.A N PHE 234.A O no hydrogen 2.787 N/A GLU 223.A N THR 211.A O no hydrogen 2.975 N/A TYR 224.A N LEU 232.A O no hydrogen 3.234 N/A TYR 224.A OH THR 18.A OG1 no hydrogen 3.403 N/A ILE 226.A N GLY 230.A O no hydrogen 2.998 N/A ARG 227.A NE GLU 11.A OE2 no hydrogen 3.128 N/A ARG 227.A NH1 GLU 7.A O no hydrogen 3.023 N/A ARG 227.A NH2 GLU 7.A O no hydrogen 2.842 N/A ARG 227.A NH2 GLU 11.A OE2 no hydrogen 2.872 N/A GLU 229.A N ARG 227.A O no hydrogen 2.516 N/A GLY 230.A N ILE 226.A O no hydrogen 2.625 N/A ARG 231.A N ASN 51.A O no hydrogen 2.892 N/A LEU 232.A N TYR 224.A O no hydrogen 3.104 N/A THR 233.A N ASP 49.A O no hydrogen 2.623 N/A THR 233.A OG1 GLU 223.A OE2 no hydrogen 2.886 N/A PHE 234.A N MET 222.A O no hydrogen 2.685 N/A LEU 235.A N LEU 47.A O no hydrogen 2.854 N/A LEU 236.A N MET 220.A O no hydrogen 2.917 N/A ALA 237.A N VAL 45.A O no hydrogen 2.993 N/A ARG 239.A N ALA 191.A O no hydrogen 2.895 N/A