Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vht_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 5.A OE2 no hydrogen 3.382 N/A GLU 6.A N LYS 3.A O no hydrogen 3.136 N/A LEU 7.A N GLY 4.A O no hydrogen 3.069 N/A PHE 8.A N GLU 5.A O no hydrogen 3.208 N/A THR 9.A N GLU 6.A O no hydrogen 3.508 N/A THR 9.A OG1 GLU 6.A O no hydrogen 3.203 N/A VAL 12.A N GLY 35.A O no hydrogen 2.954 N/A ILE 14.A N GLY 33.A O no hydrogen 2.722 N/A LEU 15.A N LEU 116.A O no hydrogen 2.824 N/A VAL 16.A N GLY 31.A O no hydrogen 2.983 N/A GLU 17.A N ASN 118.A O no hydrogen 2.807 N/A LEU 18.A N VAL 29.A O no hydrogen 2.880 N/A ASP 19.A N ILE 120.A O no hydrogen 2.965 N/A GLY 20.A N PHE 27.A O no hydrogen 2.701 N/A ASP 21.A N LEU 122.A O no hydrogen 3.129 N/A VAL 22.A N HIS 25.A O no hydrogen 3.018 N/A ASN 23.A N GLY 124.A O no hydrogen 2.969 N/A ASN 23.A ND2 PHE 127.A O no hydrogen 2.679 N/A GLY 24.A N ASP 21.A OD1 no hydrogen 3.146 N/A HIS 25.A N VAL 22.A O no hydrogen 2.742 N/A HIS 25.A ND1 VAL 22.A O no hydrogen 3.132 N/A LYS 26.A NZ ASP 21.A OD2 no hydrogen 3.398 N/A PHE 27.A N GLY 20.A O no hydrogen 2.830 N/A SER 28.A N THR 50.A OG1 no hydrogen 3.378 N/A SER 28.A OG ASP 19.A OD1 no hydrogen 2.667 N/A VAL 29.A N LEU 18.A O no hydrogen 3.058 N/A SER 30.A N ILE 47.A O no hydrogen 3.083 N/A SER 30.A OG GLU 17.A OE1 no hydrogen 2.707 N/A SER 30.A OG GLU 17.A OE2 no hydrogen 3.472 N/A GLY 31.A N VAL 16.A O no hydrogen 2.784 N/A GLU 32.A N LYS 45.A O no hydrogen 2.803 N/A GLY 33.A N ILE 14.A O no hydrogen 3.009 N/A GLU 34.A N THR 43.A O no hydrogen 3.011 N/A GLY 35.A N VAL 12.A O no hydrogen 2.808 N/A ASP 36.A N LYS 41.A O no hydrogen 2.878 N/A THR 38.A OG1 THR 9.A O no hydrogen 3.026 N/A THR 38.A OG1 ASP 36.A OD1 no hydrogen 3.478 N/A TYR 39.A N ASP 36.A O no hydrogen 3.274 N/A GLY 40.A N ALA 37.A O no hydrogen 3.376 N/A LYS 41.A N ASP 36.A O no hydrogen 3.114 N/A LEU 42.A N GLU 219.A O no hydrogen 2.847 N/A THR 43.A N GLU 34.A O no hydrogen 2.888 N/A LEU 44.A N LEU 217.A O no hydrogen 2.991 N/A LYS 45.A N GLU 32.A O no hydrogen 2.805 N/A LYS 45.A NZ ASP 207.A OD2 no hydrogen 2.671 N/A LYS 45.A NZ GLU 210.A OE1 no hydrogen 2.990 N/A PHE 46.A N MET 215.A O no hydrogen 2.913 N/A ILE 47.A N SER 30.A O no hydrogen 2.856 N/A CYS 48.A N ASP 213.A O no hydrogen 3.046 N/A CYS 48.A SG SER 28.A O no hydrogen 3.576 N/A CYS 48.A SG THR 50.A OG1 no hydrogen 3.380 N/A CYS 48.A SG GLY 51.A O no hydrogen 3.324 N/A THR 49.A N SER 28.A O no hydrogen 3.063 N/A LEU 53.A N ASP 213.A OD2 no hydrogen 3.105 N/A TRP 57.A NE1 ASP 213.A OD1 no hydrogen 2.748 N/A THR 59.A N PRO 56.A O no hydrogen 3.066 N/A THR 59.A OG1 PRO 56.A O no hydrogen 2.708 N/A THR 59.A OG1 TYR 103.A OH no hydrogen 3.013 N/A LEU 60.A N TRP 57.A O no hydrogen 3.123 N/A VAL 61.A N PRO 58.A O no hydrogen 3.432 N/A THR 62.A OG1 HIS 178.A NE2 no hydrogen 2.746 N/A PHE 64.A N LEU 60.A O no hydrogen 3.068 N/A CYS 67.A SG TYR 89.A OH no hydrogen 3.783 N/A PHE 68.A N VAL 65.A O no hydrogen 2.965 N/A ALA 69.A N GLN 66.A O no hydrogen 3.349 N/A ARG 70.A N VAL 221.A O no hydrogen 3.004 N/A TYR 71.A OH HIS 196.A NE2 no hydrogen 2.649 N/A HIS 74.A NE2 ILE 226.A O no hydrogen 2.891 N/A MET 75.A N PRO 72.A O no hydrogen 2.700 N/A LYS 76.A N ASP 73.A O no hydrogen 3.327 N/A LYS 76.A NZ TYR 71.A O no hydrogen 2.785 N/A GLN 77.A N GLN 77.A OE1 no hydrogen 2.825 N/A HIS 78.A N MET 75.A O no hydrogen 2.875 N/A PHE 80.A N HIS 78.A O no hydrogen 3.170 N/A LYS 82.A N ASP 79.A OD1 no hydrogen 3.372 N/A LYS 82.A NZ CYS 67.A O no hydrogen 2.832 N/A LYS 82.A NZ ALA 69.A O no hydrogen 2.932 N/A LYS 82.A NZ ASP 79.A OD2 no hydrogen 2.805 N/A SER 83.A N ASP 79.A O no hydrogen 3.454 N/A SER 83.A OG PHE 80.A O no hydrogen 2.791 N/A MET 85.A N LYS 82.A O no hydrogen 2.832 N/A GLY 88.A N ALA 84.A O no hydrogen 2.657 N/A TYR 89.A N VAL 109.A O no hydrogen 2.951 N/A VAL 90.A N THR 183.A O no hydrogen 2.709 N/A GLN 91.A N ALA 107.A O no hydrogen 2.758 N/A GLU 92.A N GLN 181.A O no hydrogen 2.861 N/A ARG 93.A N THR 105.A O no hydrogen 3.065 N/A ARG 93.A NE GLN 180.A OE1 no hydrogen 2.826 N/A ARG 93.A NH1 THR 62.A O no hydrogen 2.745 N/A ARG 93.A NH2 GLN 180.A OE1 no hydrogen 2.818 N/A THR 94.A N TYR 179.A O no hydrogen 3.015 N/A ILE 95.A N TYR 103.A O no hydrogen 2.840 N/A PHE 96.A N ASP 177.A O no hydrogen 3.042 N/A PHE 97.A N GLY 101.A O no hydrogen 3.042 N/A LYS 98.A N LEU 175.A O no hydrogen 2.928 N/A ASP 100.A N PHE 97.A O no hydrogen 3.021 N/A GLY 101.A N ASP 100.A OD1 no hydrogen 2.741 N/A ASN 102.A N ILE 125.A O no hydrogen 3.190 N/A TYR 103.A N ILE 95.A O no hydrogen 2.725 N/A TYR 103.A OH THR 59.A OG1 no hydrogen 3.013 N/A LYS 104.A N LYS 123.A O no hydrogen 2.780 N/A LYS 104.A NZ THR 94.A OG1 no hydrogen 2.717 N/A THR 105.A N ARG 93.A O no hydrogen 2.874 N/A ARG 106.A N GLU 121.A O no hydrogen 2.897 N/A ARG 106.A NH1 GLU 108.A OE2 no hydrogen 3.131 N/A ARG 106.A NH2 GLU 108.A OE2 no hydrogen 3.464 N/A ALA 107.A N GLN 91.A O no hydrogen 2.956 N/A GLU 108.A N ARG 119.A O no hydrogen 2.826 N/A VAL 109.A N TYR 89.A O no hydrogen 2.973 N/A LYS 110.A N VAL 117.A O no hydrogen 3.125 N/A LYS 110.A NZ GLU 108.A OE1 no hydrogen 3.343 N/A PHE 111.A N PRO 86.A O no hydrogen 3.401 N/A GLU 112.A N THR 115.A O no hydrogen 2.969 N/A THR 115.A N GLU 112.A O no hydrogen 3.354 N/A LEU 116.A N PRO 13.A O no hydrogen 2.769 N/A VAL 117.A N LYS 110.A O no hydrogen 2.852 N/A ASN 118.A N LEU 15.A O no hydrogen 2.750 N/A ASN 118.A ND2 THR 63.A O no hydrogen 3.473 N/A ASN 118.A ND2 PHE 64.A O no hydrogen 3.007 N/A ARG 119.A N GLU 108.A O no hydrogen 2.962 N/A ARG 119.A NE GLU 112.A OE2 no hydrogen 3.041 N/A ARG 119.A NH2 GLU 112.A OE1 no hydrogen 2.871 N/A ARG 119.A NH2 GLU 112.A OE2 no hydrogen 3.551 N/A ILE 120.A N GLU 17.A O no hydrogen 2.774 N/A GLU 121.A N ARG 106.A O no hydrogen 2.812 N/A LEU 122.A N ASP 19.A O no hydrogen 2.955 N/A LYS 123.A N LYS 104.A O no hydrogen 2.902 N/A LYS 123.A NZ ASP 21.A OD1 no hydrogen 3.462 N/A GLY 124.A N ASP 21.A O no hydrogen 2.721 N/A ILE 125.A N ASN 102.A O no hydrogen 3.251 N/A PHE 127.A N ASN 23.A OD1 no hydrogen 3.064 N/A LYS 128.A N ASP 100.A OD1 no hydrogen 2.926 N/A LYS 128.A NZ ASP 99.A O no hydrogen 2.896 N/A GLY 131.A N LYS 128.A O no hydrogen 2.986 N/A ASN 132.A ND2 GLN 174.A OE1 no hydrogen 2.965 N/A GLY 135.A N GLY 131.A O no hydrogen 2.815 N/A HIS 136.A N ILE 133.A O no hydrogen 3.035 N/A LYS 137.A N ASN 132.A O no hydrogen 2.727 N/A LYS 137.A NZ ASP 130.A O no hydrogen 2.792 N/A GLU 139.A N ASN 167.A O no hydrogen 2.897 N/A TYR 140.A OH SER 205.A O no hydrogen 2.996 N/A ASN 141.A ND2 GLU 139.A OE1 no hydrogen 3.071 N/A ASN 143.A ND2 ARG 165.A O no hydrogen 2.953 N/A ASN 143.A ND2 ASN 167.A OD1 no hydrogen 3.311 N/A HIS 145.A N THR 200.A O no hydrogen 3.179 N/A ASN 146.A ND2 TYR 148.A OH no hydrogen 3.328 N/A VAL 147.A N LEU 198.A O no hydrogen 2.889 N/A TYR 148.A N ASN 161.A O no hydrogen 3.020 N/A ILE 149.A N HIS 196.A O no hydrogen 2.795 N/A MET 150.A N LYS 159.A O no hydrogen 2.960 N/A ASP 152.A N GLY 157.A O no hydrogen 2.703 N/A LYS 155.A N ASP 152.A O no hydrogen 3.236 N/A ASN 156.A N LYS 153.A O no hydrogen 2.790 N/A GLY 157.A N ASP 152.A O no hydrogen 2.997 N/A ILE 158.A N ASN 182.A O no hydrogen 3.050 N/A LYS 159.A N MET 150.A O no hydrogen 2.814 N/A LYS 159.A NZ GLN 181.A OE1 no hydrogen 2.820 N/A VAL 160.A N GLN 180.A O no hydrogen 2.867 N/A ASN 161.A N TYR 148.A O no hydrogen 3.130 N/A PHE 162.A N HIS 178.A O no hydrogen 3.431 N/A LYS 163.A NZ ASP 177.A OD1 no hydrogen 2.936 N/A LYS 163.A NZ ASP 177.A OD2 no hydrogen 3.246 N/A ILE 164.A N ALA 176.A O no hydrogen 2.945 N/A ARG 165.A N HIS 145.A NE2 no hydrogen 2.989 N/A ARG 165.A NH2 SER 144.A O no hydrogen 2.743 N/A HIS 166.A N GLN 174.A O no hydrogen 2.970 N/A ILE 168.A N SER 172.A O no hydrogen 3.000 N/A GLU 169.A N LYS 137.A O no hydrogen 2.723 N/A GLY 171.A N ILE 168.A O no hydrogen 2.794 N/A SER 172.A N ASP 170.A OD1 no hydrogen 2.711 N/A SER 172.A OG ASP 170.A OD1 no hydrogen 2.494 N/A SER 172.A OG ASP 170.A OD2 no hydrogen 3.387 N/A GLN 174.A N HIS 166.A O no hydrogen 2.875 N/A GLN 174.A NE2 LYS 98.A O no hydrogen 2.642 N/A GLN 174.A NE2 LEU 175.A O no hydrogen 3.685 N/A ALA 176.A N ILE 164.A O no hydrogen 2.935 N/A ASP 177.A N PHE 96.A O no hydrogen 2.947 N/A HIS 178.A N PHE 162.A O no hydrogen 2.706 N/A HIS 178.A ND1 ALA 176.A O no hydrogen 2.876 N/A HIS 178.A NE2 THR 62.A OG1 no hydrogen 2.746 N/A TYR 179.A N THR 94.A O no hydrogen 2.864 N/A TYR 179.A OH ASP 177.A OD2 no hydrogen 2.787 N/A GLN 180.A N VAL 160.A O no hydrogen 2.995 N/A GLN 180.A NE2 GLN 66.A OE1 no hydrogen 2.958 N/A GLN 180.A NE2 ASN 182.A OD1 no hydrogen 2.613 N/A GLN 181.A N GLU 92.A O no hydrogen 2.853 N/A GLN 181.A NE2 GLU 92.A OE1 no hydrogen 3.332 N/A ASN 182.A N ILE 158.A O no hydrogen 3.063 N/A ASN 182.A ND2 GLN 91.A OE1 no hydrogen 2.841 N/A THR 183.A N VAL 90.A O no hydrogen 2.980 N/A ILE 185.A N GLY 88.A O no hydrogen 2.760 N/A LEU 191.A N SER 83.A OG no hydrogen 3.091 N/A ASP 194.A N HIS 78.A ND1 no hydrogen 3.342 N/A HIS 196.A N ILE 149.A O no hydrogen 3.147 N/A HIS 196.A ND1 ASP 194.A O no hydrogen 2.966 N/A HIS 196.A NE2 TYR 71.A OH no hydrogen 2.649 N/A TYR 197.A N ALA 224.A O no hydrogen 3.054 N/A LEU 198.A N VAL 147.A O no hydrogen 2.805 N/A SER 199.A N THR 222.A O no hydrogen 2.718 N/A THR 200.A N HIS 145.A O no hydrogen 2.872 N/A GLN 201.A N PHE 220.A O no hydrogen 3.009 N/A ALA 203.A N LEU 218.A O no hydrogen 2.987 N/A SER 205.A N VAL 216.A O no hydrogen 2.890 N/A LYS 206.A NZ HIS 214.A O no hydrogen 2.751 N/A ASP 207.A N HIS 214.A NE2 no hydrogen 2.787 N/A ASN 209.A N ASP 207.A OD1 no hydrogen 3.358 N/A GLU 210.A N ASP 207.A O no hydrogen 2.862 N/A ARG 212.A N GLU 210.A OE2 no hydrogen 3.021 N/A ARG 212.A NE GLU 210.A OE2 no hydrogen 2.697 N/A ARG 212.A NH2 GLU 210.A OE1 no hydrogen 3.136 N/A ARG 212.A NH2 GLU 210.A OE2 no hydrogen 2.952 N/A HIS 214.A ND1 ARG 212.A O no hydrogen 3.044 N/A MET 215.A N PHE 46.A O no hydrogen 3.042 N/A VAL 216.A N SER 205.A O no hydrogen 2.871 N/A LEU 217.A N LEU 44.A O no hydrogen 2.899 N/A LEU 218.A N ALA 203.A O no hydrogen 3.100 N/A GLU 219.A N LEU 42.A O no hydrogen 3.002 N/A PHE 220.A N GLN 201.A O no hydrogen 2.867 N/A VAL 221.A N GLY 40.A O no hydrogen 2.914 N/A THR 222.A N SER 199.A O no hydrogen 3.034 N/A ALA 223.A N ARG 70.A O no hydrogen 3.004 N/A ALA 224.A N TYR 197.A O no hydrogen 2.857 N/A