Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3t45_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 MET 54.A O no hydrogen 3.243 N/A GLU 3.A N GLU 3.A OE1 no hydrogen 2.621 N/A TRP 4.A N ARG 1.A O no hydrogen 2.666 N/A TRP 6.A N GLU 3.A O no hydrogen 2.763 N/A LEU 7.A N GLU 3.A O no hydrogen 3.109 N/A ALA 8.A N TRP 4.A O no hydrogen 2.904 N/A LEU 9.A N ILE 5.A O no hydrogen 2.749 N/A GLY 10.A N TRP 6.A O no hydrogen 2.929 N/A THR 11.A N LEU 7.A O no hydrogen 2.740 N/A THR 11.A OG1 LEU 7.A O no hydrogen 2.326 N/A ALA 12.A N ALA 8.A O no hydrogen 2.799 N/A LEU 13.A N LEU 9.A O no hydrogen 3.036 N/A MET 14.A N GLY 10.A O no hydrogen 2.876 N/A GLY 15.A N THR 11.A O no hydrogen 2.867 N/A LEU 16.A N ALA 12.A O no hydrogen 2.883 N/A GLY 17.A N LEU 13.A O no hydrogen 2.925 N/A THR 18.A N MET 14.A O no hydrogen 2.769 N/A THR 18.A OG1 MET 14.A O no hydrogen 2.635 N/A LEU 19.A N GLY 15.A O no hydrogen 2.921 N/A TYR 20.A N LEU 16.A O no hydrogen 2.739 N/A PHE 21.A N GLY 17.A O no hydrogen 3.032 N/A LEU 22.A N THR 18.A O no hydrogen 2.726 N/A VAL 23.A N LEU 19.A O no hydrogen 2.861 N/A LYS 24.A N TYR 20.A O no hydrogen 2.772 N/A MET 26.A N VAL 23.A O no hydrogen 2.635 N/A ALA 33.A N ASP 30.A OD2 no hydrogen 2.904 N/A LYS 34.A N ASP 30.A O no hydrogen 2.855 N/A LYS 35.A N PRO 31.A O no hydrogen 3.263 N/A LYS 35.A NZ ASP 32.A OD1 no hydrogen 3.021 N/A PHE 36.A N ASP 32.A O no hydrogen 3.352 N/A TYR 37.A N ALA 33.A O no hydrogen 2.951 N/A ALA 38.A N LYS 34.A O no hydrogen 2.756 N/A ILE 39.A N LYS 35.A O no hydrogen 3.072 N/A THR 40.A N PHE 36.A O no hydrogen 2.858 N/A THR 40.A OG1 PHE 36.A O no hydrogen 2.540 N/A THR 40.A OG1 ASP 90.A OD1 no hydrogen 3.479 N/A THR 40.A OG1 ASP 90.A OD2 no hydrogen 3.007 N/A THR 41.A N TYR 37.A O no hydrogen 3.079 N/A THR 41.A OG1 TYR 37.A O no hydrogen 2.452 N/A LEU 42.A N ALA 38.A O no hydrogen 3.258 N/A LEU 42.A N ILE 39.A O no hydrogen 3.220 N/A VAL 43.A N ILE 39.A O no hydrogen 3.331 N/A ALA 45.A N THR 41.A O no hydrogen 3.225 N/A ILE 46.A N LEU 42.A O no hydrogen 2.794 N/A ALA 47.A N VAL 43.A O no hydrogen 2.721 N/A PHE 48.A N PRO 44.A O no hydrogen 2.542 N/A THR 49.A N ALA 45.A O no hydrogen 2.974 N/A THR 49.A OG1 ALA 45.A O no hydrogen 3.201 N/A THR 49.A OG1 ILE 46.A O no hydrogen 2.519 N/A MET 50.A N ILE 46.A O no hydrogen 3.085 N/A TYR 51.A N ALA 47.A O no hydrogen 2.813 N/A TYR 51.A OH ASP 206.A OD2 no hydrogen 2.983 N/A LEU 52.A N PHE 48.A O no hydrogen 2.938 N/A SER 53.A N THR 49.A O no hydrogen 2.924 N/A SER 53.A OG MET 50.A O no hydrogen 2.667 N/A MET 54.A N MET 50.A O no hydrogen 2.921 N/A LEU 55.A N TYR 51.A O no hydrogen 2.847 N/A LEU 56.A N LEU 52.A O no hydrogen 2.804 N/A GLY 59.A N SER 53.A O no hydrogen 2.625 N/A THR 61.A N ILE 72.A O no hydrogen 3.157 N/A VAL 63.A N ASN 70.A O no hydrogen 2.714 N/A ASN 70.A N VAL 63.A O no hydrogen 2.900 N/A ASN 70.A ND2 VAL 63.A O no hydrogen 3.446 N/A ASN 70.A ND2 PHE 65.A O no hydrogen 2.470 N/A ILE 72.A N THR 61.A O no hydrogen 2.666 N/A TYR 73.A OH GLU 3.A OE2 no hydrogen 2.975 N/A ALA 75.A N GLY 59.A O no hydrogen 3.109 N/A ARG 76.A N TYR 73.A O no hydrogen 3.362 N/A ARG 76.A NH1 TYR 51.A OH no hydrogen 3.552 N/A TYR 77.A N TRP 74.A O no hydrogen 2.796 N/A ALA 78.A N TRP 74.A O no hydrogen 3.401 N/A ASP 79.A N ALA 75.A O no hydrogen 2.819 N/A TRP 80.A N ARG 76.A O no hydrogen 2.781 N/A TRP 80.A NE1 ASP 206.A OD1 no hydrogen 3.109 N/A LEU 81.A N TYR 77.A O no hydrogen 2.827 N/A PHE 82.A N ASP 79.A O no hydrogen 3.008 N/A THR 83.A N ASP 79.A O no hydrogen 2.975 N/A THR 83.A OG1 ASP 79.A O no hydrogen 2.845 N/A THR 83.A OG1 ASP 79.A OD1 no hydrogen 2.651 N/A THR 84.A N TRP 80.A O no hydrogen 2.917 N/A THR 84.A OG1 TRP 80.A O no hydrogen 2.559 N/A THR 84.A OG1 ASP 109.A OD1 no hydrogen 2.603 N/A THR 84.A OG1 ASP 109.A OD2 no hydrogen 3.534 N/A LEU 86.A N PHE 82.A O no hydrogen 3.342 N/A LEU 87.A N THR 83.A O no hydrogen 2.867 N/A LEU 88.A N THR 84.A O no hydrogen 3.152 N/A LEU 89.A N PRO 85.A O no hydrogen 2.847 N/A ASP 90.A N LEU 86.A O no hydrogen 3.005 N/A LEU 91.A N LEU 87.A O no hydrogen 3.340 N/A ALA 92.A N LEU 88.A O no hydrogen 2.735 N/A LEU 93.A N LEU 89.A O no hydrogen 2.700 N/A LEU 94.A N ASP 90.A O no hydrogen 3.241 N/A VAL 95.A N LEU 91.A O no hydrogen 3.270 N/A ASP 96.A N LEU 93.A O no hydrogen 3.029 N/A ALA 97.A N ALA 92.A O no hydrogen 2.894 N/A THR 101.A OG1 ASP 98.A O no hydrogen 2.871 N/A ILE 102.A N ASP 98.A O no hydrogen 3.198 N/A LEU 103.A N GLN 99.A O no hydrogen 3.327 N/A ALA 104.A N GLY 100.A O no hydrogen 3.020 N/A LEU 105.A N THR 101.A O no hydrogen 3.036 N/A VAL 106.A N ILE 102.A O no hydrogen 2.909 N/A GLY 107.A N LEU 103.A O no hydrogen 2.915 N/A ALA 108.A N ALA 104.A O no hydrogen 2.927 N/A ASP 109.A N LEU 105.A O no hydrogen 2.594 N/A GLY 110.A N VAL 106.A O no hydrogen 2.644 N/A ILE 111.A N GLY 107.A O no hydrogen 2.990 N/A MET 112.A N ALA 108.A O no hydrogen 2.872 N/A ILE 113.A N ASP 109.A O no hydrogen 3.007 N/A GLY 114.A N GLY 110.A O no hydrogen 2.610 N/A THR 115.A N ILE 111.A O no hydrogen 2.732 N/A THR 115.A OG1 ILE 111.A O no hydrogen 2.561 N/A THR 115.A OG1 MET 112.A O no hydrogen 3.207 N/A GLY 116.A N MET 112.A O no hydrogen 3.062 N/A LEU 117.A N ILE 113.A O no hydrogen 2.706 N/A VAL 118.A N GLY 114.A O no hydrogen 3.141 N/A GLY 119.A N THR 115.A O no hydrogen 2.629 N/A ALA 120.A N GLY 116.A O no hydrogen 2.801 N/A LEU 121.A N LEU 117.A O no hydrogen 3.203 N/A LEU 121.A N VAL 118.A O no hydrogen 3.263 N/A THR 122.A N GLY 119.A O no hydrogen 2.887 N/A THR 122.A OG1 VAL 118.A O no hydrogen 2.811 N/A THR 122.A OG1 GLY 119.A O no hydrogen 3.489 N/A TYR 125.A OH GLY 189.A O no hydrogen 3.007 N/A ARG 128.A N VAL 124.A O no hydrogen 3.343 N/A ARG 128.A N TYR 125.A O no hydrogen 2.991 N/A ARG 128.A NE GLU 188.A O no hydrogen 2.760 N/A ARG 128.A NH1 ALA 120.A O no hydrogen 2.625 N/A ARG 128.A NH1 THR 122.A O no hydrogen 2.856 N/A ARG 128.A NH2 ALA 120.A O no hydrogen 2.922 N/A ARG 128.A NH2 GLU 188.A O no hydrogen 2.649 N/A PHE 129.A N SER 126.A O no hydrogen 3.252 N/A TRP 131.A N TYR 127.A O no hydrogen 3.239 N/A TRP 132.A N ARG 128.A O no hydrogen 2.833 N/A TRP 132.A NE1 PRO 180.A O no hydrogen 2.989 N/A ALA 133.A N PHE 129.A O no hydrogen 2.757 N/A ILE 134.A N VAL 130.A O no hydrogen 3.028 N/A SER 135.A N TRP 131.A O no hydrogen 2.874 N/A SER 135.A OG MET 112.A O no hydrogen 2.560 N/A THR 136.A N TRP 132.A O no hydrogen 2.617 N/A THR 136.A OG1 TRP 132.A O no hydrogen 2.913 N/A ALA 137.A N ALA 133.A O no hydrogen 2.803 N/A ALA 138.A N ILE 134.A O no hydrogen 3.032 N/A MET 139.A N SER 135.A O no hydrogen 2.904 N/A LEU 140.A N THR 136.A O no hydrogen 3.098 N/A TYR 141.A N ALA 137.A O no hydrogen 3.129 N/A ILE 142.A N ALA 138.A O no hydrogen 3.076 N/A LEU 143.A N MET 139.A O no hydrogen 2.820 N/A TYR 144.A N LEU 140.A O no hydrogen 2.950 N/A VAL 145.A N TYR 141.A O no hydrogen 3.125 N/A LEU 146.A N ILE 142.A O no hydrogen 2.826 N/A PHE 147.A N LEU 143.A O no hydrogen 2.913 N/A PHE 148.A N TYR 144.A O no hydrogen 2.716 N/A PHE 150.A N VAL 145.A O no hydrogen 2.739 N/A THR 151.A OG1 LEU 146.A O no hydrogen 3.485 N/A THR 151.A OG1 PHE 147.A O no hydrogen 2.566 N/A SER 152.A N PHE 148.A O no hydrogen 3.347 N/A SER 152.A OG PHE 148.A O no hydrogen 2.843 N/A SER 152.A OG GLY 149.A O no hydrogen 3.558 N/A LYS 153.A NZ ASP 96.A O no hydrogen 3.453 N/A ALA 154.A N PHE 150.A O no hydrogen 2.686 N/A GLU 155.A N THR 151.A O no hydrogen 3.062 N/A SER 156.A N LYS 153.A O no hydrogen 3.244 N/A SER 156.A OG LYS 153.A O no hydrogen 3.041 N/A ALA 162.A N ARG 158.A O no hydrogen 3.267 N/A SER 163.A N PRO 159.A O no hydrogen 3.236 N/A SER 163.A OG PRO 159.A O no hydrogen 3.470 N/A THR 164.A N GLU 160.A O no hydrogen 3.046 N/A THR 164.A OG1 GLU 160.A O no hydrogen 2.796 N/A PHE 165.A N VAL 161.A O no hydrogen 2.792 N/A LYS 166.A N ALA 162.A O no hydrogen 2.950 N/A VAL 167.A N SER 163.A O no hydrogen 3.110 N/A LEU 168.A N THR 164.A O no hydrogen 2.971 N/A ARG 169.A N PHE 165.A O no hydrogen 2.559 N/A ARG 169.A NH2 ASN 170.A OD1 no hydrogen 3.000 N/A ASN 170.A N LYS 166.A O no hydrogen 2.903 N/A VAL 171.A N VAL 167.A O no hydrogen 2.868 N/A THR 172.A N LEU 168.A O no hydrogen 3.170 N/A THR 172.A OG1 LEU 168.A O no hydrogen 2.323 N/A THR 172.A OG1 ARG 169.A O no hydrogen 3.452 N/A VAL 173.A N ARG 169.A O no hydrogen 2.715 N/A VAL 174.A N ASN 170.A O no hydrogen 2.971 N/A LEU 175.A N VAL 171.A O no hydrogen 2.857 N/A TRP 176.A N THR 172.A O no hydrogen 2.696 N/A SER 177.A OG VAL 173.A O no hydrogen 2.927 N/A SER 177.A OG VAL 174.A O no hydrogen 2.773 N/A ALA 178.A N LEU 175.A O no hydrogen 3.044 N/A TYR 179.A N TRP 176.A O no hydrogen 3.165 N/A TYR 179.A OH THR 209.A OG1 no hydrogen 2.988 N/A VAL 182.A N ALA 178.A O no hydrogen 2.878 N/A TRP 183.A N TYR 179.A O no hydrogen 2.801 N/A TRP 183.A NE1 TYR 77.A OH no hydrogen 2.794 N/A LEU 184.A N PRO 180.A O no hydrogen 2.941 N/A ILE 185.A N VAL 181.A O no hydrogen 3.142 N/A GLY 186.A N VAL 182.A O no hydrogen 2.817 N/A SER 187.A N GLU 198.A OE2 no hydrogen 2.665 N/A SER 187.A OG PRO 71.A O no hydrogen 3.553 N/A SER 187.A OG GLU 198.A OE2 no hydrogen 3.308 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.997 N/A GLY 189.A N GLY 186.A O no hydrogen 2.972 N/A ALA 190.A N LEU 184.A O no hydrogen 2.548 N/A GLY 191.A N GLY 186.A O no hydrogen 2.787 N/A ILE 192.A N ILE 185.A O no hydrogen 2.654 N/A VAL 193.A N ILE 185.A O no hydrogen 3.127 N/A GLU 198.A N PRO 194.A O no hydrogen 2.824 N/A THR 199.A N LEU 195.A O no hydrogen 2.706 N/A THR 199.A OG1 LEU 195.A O no hydrogen 2.526 N/A LEU 200.A N ASN 196.A O no hydrogen 3.297 N/A LEU 201.A N ILE 197.A O no hydrogen 2.722 N/A PHE 202.A N GLU 198.A O no hydrogen 2.781 N/A MET 203.A N THR 199.A O no hydrogen 2.644 N/A VAL 204.A N LEU 200.A O no hydrogen 2.921 N/A LEU 205.A N LEU 201.A O no hydrogen 3.109 N/A ASP 206.A N PHE 202.A O no hydrogen 2.694 N/A VAL 207.A N MET 203.A O no hydrogen 3.151 N/A SER 208.A N VAL 204.A O no hydrogen 3.084 N/A SER 208.A OG VAL 204.A O no hydrogen 2.425 N/A SER 208.A OG LEU 205.A O no hydrogen 3.517 N/A THR 209.A N LEU 205.A O no hydrogen 2.834 N/A THR 209.A OG1 TYR 179.A OH no hydrogen 2.988 N/A THR 209.A OG1 LEU 205.A O no hydrogen 2.900 N/A THR 209.A OG1 ASP 206.A O no hydrogen 3.126 N/A LYS 210.A N ASP 206.A O no hydrogen 3.036 N/A LYS 210.A NZ ASP 206.A OD1 no hydrogen 3.276 N/A GLY 212.A N VAL 207.A O no hydrogen 3.072 N/A PHE 213.A N SER 208.A O no hydrogen 2.779 N/A GLY 214.A N LYS 210.A O no hydrogen 2.721 N/A LEU 215.A N VAL 211.A O no hydrogen 2.579 N/A ILE 216.A N GLY 212.A O no hydrogen 3.008 N/A LEU 217.A N PHE 213.A O no hydrogen 3.074 N/A LEU 218.A N GLY 214.A O no hydrogen 2.813 N/A ARG 219.A N LEU 215.A O no hydrogen 3.021 N/A SER 220.A N ILE 216.A O no hydrogen 3.100 N/A SER 220.A OG LEU 217.A O no hydrogen 2.594 N/A