Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tui_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N SER 2.A O no hydrogen 2.763 N/A MET 5.A N SER 2.A OG no hydrogen 3.152 N/A MET 6.A N SER 2.A O no hydrogen 3.151 N/A TRP 7.A N GLU 3.A O no hydrogen 3.445 N/A LEU 8.A N MET 5.A O no hydrogen 2.570 N/A LEU 9.A N MET 5.A O no hydrogen 2.860 N/A VAL 10.A N MET 6.A O no hydrogen 3.285 N/A GLY 12.A N LEU 8.A O no hydrogen 3.129 N/A VAL 13.A N LEU 9.A O no hydrogen 2.675 N/A TRP 14.A N VAL 10.A O no hydrogen 3.305 N/A GLU 15.A N ARG 11.A O no hydrogen 2.417 N/A THR 16.A N GLY 12.A O no hydrogen 2.422 N/A THR 16.A OG1 GLY 12.A O no hydrogen 2.706 N/A LEU 17.A N VAL 13.A O no hydrogen 3.114 N/A ALA 18.A N TRP 14.A O no hydrogen 2.732 N/A MET 19.A N GLU 15.A O no hydrogen 3.297 N/A THR 20.A N THR 16.A O no hydrogen 2.986 N/A THR 20.A OG1 THR 16.A O no hydrogen 2.900 N/A THR 20.A OG1 SER 161.A OG no hydrogen 3.188 N/A PHE 21.A N LEU 17.A O no hydrogen 2.904 N/A VAL 22.A N ALA 18.A O no hydrogen 2.908 N/A SER 23.A N MET 19.A O no hydrogen 2.738 N/A GLY 24.A N THR 20.A O no hydrogen 2.968 N/A PHE 25.A N PHE 21.A O no hydrogen 3.047 N/A PHE 26.A N VAL 22.A O no hydrogen 3.069 N/A GLY 27.A N SER 23.A O no hydrogen 2.884 N/A PHE 28.A N GLY 24.A O no hydrogen 2.975 N/A PHE 28.A N PHE 25.A O no hydrogen 3.126 N/A VAL 29.A N PHE 25.A O no hydrogen 2.942 N/A ILE 30.A N PHE 26.A O no hydrogen 3.125 N/A GLY 31.A N GLY 27.A O no hydrogen 2.649 N/A LEU 32.A N PHE 28.A O no hydrogen 2.916 N/A VAL 34.A N ILE 30.A O no hydrogen 3.031 N/A GLY 35.A N GLY 31.A O no hydrogen 2.505 N/A VAL 36.A N LEU 32.A O no hydrogen 2.937 N/A LEU 37.A N PRO 33.A O no hydrogen 3.042 N/A LEU 38.A N VAL 34.A O no hydrogen 2.815 N/A LEU 38.A N GLY 35.A O no hydrogen 2.845 N/A TYR 39.A N GLY 35.A O no hydrogen 2.948 N/A TYR 39.A N VAL 36.A O no hydrogen 3.138 N/A VAL 40.A N VAL 36.A O no hydrogen 3.156 N/A THR 41.A OG1 LEU 37.A O no hydrogen 3.168 N/A THR 41.A OG1 LEU 38.A O no hydrogen 3.494 N/A ARG 42.A N TYR 39.A O no hydrogen 3.397 N/A GLN 45.A N ARG 42.A O no hydrogen 3.251 N/A ASN 49.A N THR 41.A O no hydrogen 2.842 N/A TYR 53.A N ASN 49.A O no hydrogen 3.328 N/A TYR 53.A OH GLU 109.A OE2 no hydrogen 2.874 N/A ARG 54.A N ALA 50.A O no hydrogen 3.373 N/A THR 55.A N LYS 51.A O no hydrogen 3.126 N/A VAL 56.A N LEU 52.A O no hydrogen 3.170 N/A SER 57.A N TYR 53.A O no hydrogen 2.727 N/A ALA 58.A N ARG 54.A O no hydrogen 2.996 N/A ILE 59.A N THR 55.A O no hydrogen 3.198 N/A VAL 60.A N VAL 56.A O no hydrogen 3.224 N/A ASN 61.A N SER 57.A O no hydrogen 3.223 N/A ILE 62.A N ALA 58.A O no hydrogen 2.709 N/A PHE 63.A N ILE 59.A O no hydrogen 2.676 N/A ARG 64.A N VAL 60.A O no hydrogen 2.744 N/A SER 65.A N ILE 62.A O no hydrogen 3.003 N/A ILE 66.A N PHE 63.A O no hydrogen 3.453 N/A LEU 71.A N PRO 67.A O no hydrogen 3.009 N/A LEU 72.A N PHE 68.A O no hydrogen 2.740 N/A VAL 73.A N ILE 69.A O no hydrogen 2.992 N/A TRP 74.A N ILE 70.A O no hydrogen 3.125 N/A MET 75.A N LEU 72.A O no hydrogen 2.971 N/A ILE 76.A N VAL 73.A O no hydrogen 3.177 N/A THR 79.A N MET 75.A O no hydrogen 3.012 N/A THR 79.A OG1 MET 75.A O no hydrogen 2.779 N/A THR 79.A OG1 ILE 76.A O no hydrogen 3.543 N/A ARG 80.A N ILE 76.A O no hydrogen 3.283 N/A VAL 81.A N PRO 77.A O no hydrogen 3.116 N/A ILE 82.A N PHE 78.A O no hydrogen 2.965 N/A VAL 83.A N THR 79.A O no hydrogen 2.526 N/A GLY 84.A N ARG 80.A O no hydrogen 2.345 N/A GLY 88.A N GLY 168.A O no hydrogen 3.136 N/A ALA 92.A N GLY 88.A O no hydrogen 3.092 N/A VAL 94.A N ALA 91.A O no hydrogen 3.291 N/A LEU 96.A N ALA 92.A O no hydrogen 3.091 N/A THR 97.A N ILE 93.A O no hydrogen 3.101 N/A THR 97.A OG1 ILE 93.A O no hydrogen 3.388 N/A THR 97.A OG1 VAL 94.A O no hydrogen 3.079 N/A VAL 98.A N VAL 94.A O no hydrogen 3.108 N/A GLY 99.A N PRO 95.A O no hydrogen 2.714 N/A ALA 100.A N THR 97.A O no hydrogen 3.134 N/A ALA 101.A N THR 97.A O no hydrogen 3.090 N/A ILE 104.A N ALA 100.A O no hydrogen 3.004 N/A ALA 105.A N ALA 101.A O no hydrogen 2.757 N/A ARG 106.A N PRO 102.A O no hydrogen 3.104 N/A MET 107.A N PHE 103.A O no hydrogen 3.086 N/A VAL 108.A N ILE 104.A O no hydrogen 2.787 N/A GLU 109.A N ALA 105.A O no hydrogen 3.084 N/A ASN 110.A N ARG 106.A O no hydrogen 3.019 N/A ALA 111.A N MET 107.A O no hydrogen 2.679 N/A LEU 112.A N VAL 108.A O no hydrogen 2.705 N/A LEU 113.A N GLU 109.A O no hydrogen 2.795 N/A GLU 114.A N ALA 111.A O no hydrogen 2.995 N/A ILE 115.A N LEU 112.A O no hydrogen 2.915 N/A LEU 119.A N PRO 116.A O no hydrogen 2.923 N/A GLU 121.A N THR 117.A O no hydrogen 3.402 N/A ALA 122.A N GLY 118.A O no hydrogen 3.080 N/A SER 123.A N LEU 119.A O no hydrogen 3.128 N/A SER 123.A OG LEU 119.A O no hydrogen 2.748 N/A ARG 124.A N ILE 120.A O no hydrogen 2.824 N/A ALA 125.A N GLU 121.A O no hydrogen 3.024 N/A MET 126.A N SER 123.A O no hydrogen 3.057 N/A GLY 127.A N ARG 124.A O no hydrogen 2.900 N/A ALA 128.A N SER 123.A O no hydrogen 3.188 N/A GLN 132.A NE2 THR 129.A OG1 no hydrogen 2.761 N/A ILE 133.A N THR 129.A O no hydrogen 2.827 N/A VAL 134.A N MET 131.A O no hydrogen 3.075 N/A ARG 135.A N MET 131.A O no hydrogen 3.198 N/A LYS 136.A N GLN 132.A O no hydrogen 2.759 N/A VAL 137.A N ILE 133.A O no hydrogen 3.058 N/A LEU 138.A N ILE 133.A O no hydrogen 2.729 N/A LEU 139.A N VAL 134.A O no hydrogen 2.946 N/A GLU 141.A N VAL 137.A O no hydrogen 3.240 N/A ALA 142.A N LEU 138.A O no hydrogen 3.271 N/A ALA 142.A N LEU 139.A O no hydrogen 3.040 N/A LEU 143.A N PRO 140.A O no hydrogen 3.278 N/A LEU 146.A N ALA 142.A O no hydrogen 2.507 N/A VAL 147.A N LEU 143.A O no hydrogen 2.705 N/A ASN 148.A N PRO 144.A O no hydrogen 2.732 N/A ALA 149.A N GLY 145.A O no hydrogen 2.904 N/A ALA 150.A N LEU 146.A O no hydrogen 3.003 N/A THR 151.A N VAL 147.A O no hydrogen 3.099 N/A THR 151.A OG1 VAL 147.A O no hydrogen 3.067 N/A ILE 152.A N ASN 148.A O no hydrogen 2.871 N/A THR 153.A N ALA 149.A O no hydrogen 2.563 N/A THR 153.A OG1 ALA 149.A O no hydrogen 2.838 N/A LEU 154.A N ALA 150.A O no hydrogen 2.801 N/A ILE 155.A N THR 151.A O no hydrogen 3.124 N/A THR 156.A N ILE 152.A O no hydrogen 3.114 N/A THR 156.A OG1 ILE 152.A O no hydrogen 3.344 N/A LEU 157.A N THR 153.A O no hydrogen 2.649 N/A VAL 158.A N LEU 154.A O no hydrogen 2.998 N/A TYR 160.A N THR 156.A O no hydrogen 3.096 N/A SER 161.A N LEU 157.A O no hydrogen 2.653 N/A SER 161.A OG THR 20.A OG1 no hydrogen 3.188 N/A SER 161.A OG LEU 157.A O no hydrogen 3.104 N/A SER 161.A OG VAL 158.A O no hydrogen 2.810 N/A ALA 162.A N VAL 158.A O no hydrogen 2.642 N/A MET 163.A N GLY 159.A O no hydrogen 2.987 N/A GLY 164.A N SER 161.A O no hydrogen 2.964 N/A GLY 165.A N ALA 162.A O no hydrogen 2.883 N/A ALA 166.A N MET 163.A O no hydrogen 3.473 N/A ALA 169.A N GLY 164.A O no hydrogen 2.675 N/A LEU 172.A N THR 16.A OG1 no hydrogen 2.921 N/A GLN 174.A N GLY 171.A O no hydrogen 2.773 N/A ILE 175.A N GLY 171.A O no hydrogen 3.224 N/A GLY 176.A N LEU 172.A O no hydrogen 3.134 N/A GLY 176.A N GLY 173.A O no hydrogen 3.281 N/A TYR 177.A N GLY 173.A O no hydrogen 3.132 N/A GLN 178.A N GLN 174.A O no hydrogen 3.021 N/A TYR 179.A N ILE 175.A O no hydrogen 3.291 N/A GLY 180.A N GLY 176.A O no hydrogen 2.713 N/A TYR 181.A N TYR 177.A O no hydrogen 3.190 N/A ILE 182.A N TYR 177.A O no hydrogen 3.054 N/A GLY 183.A N GLN 178.A O no hydrogen 2.891 N/A ASN 185.A N TYR 179.A O no hydrogen 2.943 N/A VAL 188.A N ASN 185.A OD1 no hydrogen 2.968 N/A MET 189.A N ASN 185.A O no hydrogen 3.246 N/A ASN 190.A N ALA 186.A O no hydrogen 2.991 N/A THR 191.A N THR 187.A O no hydrogen 3.005 N/A THR 191.A OG1 THR 187.A O no hydrogen 3.355 N/A THR 191.A OG1 VAL 188.A O no hydrogen 3.276 N/A VAL 192.A N VAL 188.A O no hydrogen 3.063 N/A VAL 192.A N MET 189.A O no hydrogen 2.887 N/A LEU 193.A N MET 189.A O no hydrogen 2.858 N/A VAL 194.A N ASN 190.A O no hydrogen 3.185 N/A LEU 195.A N THR 191.A O no hydrogen 2.943 N/A LEU 196.A N VAL 192.A O no hydrogen 2.910 N/A VAL 197.A N LEU 193.A O no hydrogen 2.919 N/A ILE 198.A N VAL 194.A O no hydrogen 3.185 N/A LEU 199.A N LEU 195.A O no hydrogen 2.971 N/A VAL 200.A N LEU 196.A O no hydrogen 2.988 N/A VAL 200.A N VAL 197.A O no hydrogen 2.940 N/A TYR 201.A N VAL 197.A O no hydrogen 2.905 N/A LEU 202.A N ILE 198.A O no hydrogen 2.714 N/A ILE 203.A N LEU 199.A O no hydrogen 2.983 N/A GLN 204.A N VAL 200.A O no hydrogen 2.569 N/A GLN 204.A NE2 ASP 208.A OD1 no hydrogen 3.288 N/A PHE 205.A N TYR 201.A O no hydrogen 2.712 N/A ALA 206.A N LEU 202.A O no hydrogen 3.042 N/A GLY 207.A N ILE 203.A O no hydrogen 3.256 N/A ASP 208.A N GLN 204.A O no hydrogen 3.105 N/A ARG 209.A N PHE 205.A O no hydrogen 2.960 N/A ILE 210.A N ALA 206.A O no hydrogen 2.948 N/A VAL 211.A N GLY 207.A O no hydrogen 2.808 N/A ARG 212.A N ASP 208.A O no hydrogen 2.777 N/A ALA 213.A N ILE 210.A O no hydrogen 2.942 N/A VAL 214.A N VAL 211.A O no hydrogen 3.132 N/A