Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vav_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 ASP 34.A OD1 no hydrogen 2.974 N/A ARG 1.A NH2 VAL 38.A O no hydrogen 2.923 N/A VAL 4.A N ARG 78.A O no hydrogen 2.786 N/A LYS 8.A N THR 5.A OG1 no hydrogen 3.061 N/A LEU 9.A N THR 5.A O no hydrogen 3.207 N/A GLN 10.A N VAL 6.A O no hydrogen 3.367 N/A GLN 10.A NE2 GLU 14.A OE2 no hydrogen 3.030 N/A GLN 10.A NE2 SER 193.A O no hydrogen 2.875 N/A ALA 11.A N PRO 7.A O no hydrogen 3.021 N/A MET 12.A N LYS 8.A O no hydrogen 2.834 N/A ARG 13.A N LEU 9.A O no hydrogen 3.023 N/A ARG 13.A NH1 THR 189.A O no hydrogen 2.904 N/A ARG 13.A NH1 ILE 194.A O no hydrogen 2.803 N/A ARG 13.A NH2 THR 189.A O no hydrogen 2.826 N/A GLU 14.A N GLN 10.A O no hydrogen 3.100 N/A ALA 15.A N ALA 11.A O no hydrogen 2.896 N/A GLY 16.A N ARG 13.A O no hydrogen 3.071 N/A GLU 17.A N MET 12.A O no hydrogen 2.915 N/A LYS 18.A NZ CYS 205.A O no hydrogen 2.792 N/A ILE 19.A N SER 206.A O no hydrogen 2.870 N/A ALA 20.A N ASP 39.A OD2 no hydrogen 2.899 N/A MET 21.A N GLN 208.A O no hydrogen 2.897 N/A LEU 22.A N VAL 40.A O no hydrogen 3.061 N/A THR 23.A N LEU 210.A O no hydrogen 3.164 N/A THR 23.A OG1 TYR 25.A OH no hydrogen 2.744 N/A CYS 24.A N LEU 42.A O no hydrogen 2.944 N/A CYS 24.A SG ASP 26.A O no hydrogen 3.677 N/A CYS 24.A SG GLN 41.A OE1 no hydrogen 3.504 N/A TYR 25.A OH SER 46.A OG no hydrogen 2.718 N/A PHE 29.A N ASP 26.A OD1 no hydrogen 2.940 N/A ALA 30.A N ASP 26.A O no hydrogen 2.912 N/A ALA 31.A N ALA 27.A O no hydrogen 3.081 N/A LEU 32.A N SER 28.A O no hydrogen 3.055 N/A LEU 33.A N PHE 29.A O no hydrogen 2.777 N/A ASP 34.A N ALA 30.A O no hydrogen 3.102 N/A ARG 35.A N ALA 31.A O no hydrogen 2.926 N/A ALA 36.A N LEU 32.A O no hydrogen 3.093 N/A ASN 37.A N ASP 34.A O no hydrogen 2.959 N/A VAL 38.A N LEU 33.A O no hydrogen 3.101 N/A ASP 39.A N ALA 20.A O no hydrogen 2.869 N/A VAL 40.A N ALA 20.A O no hydrogen 3.263 N/A GLN 41.A N LEU 80.A O no hydrogen 2.860 N/A GLN 41.A NE2 ALA 30.A O no hydrogen 3.066 N/A LEU 42.A N LEU 22.A O no hydrogen 2.974 N/A ILE 43.A N VAL 82.A O no hydrogen 2.781 N/A ASP 45.A N ASP 84.A OD2 no hydrogen 2.834 N/A SER 46.A OG TYR 25.A OH no hydrogen 2.718 N/A LEU 47.A N GLY 44.A O no hydrogen 3.028 N/A GLY 48.A N ASP 45.A O no hydrogen 2.831 N/A ASN 49.A N SER 46.A O no hydrogen 2.908 N/A ASN 49.A ND2 GLN 54.A O no hydrogen 2.839 N/A VAL 50.A N SER 46.A O no hydrogen 3.011 N/A LEU 51.A N LEU 47.A O no hydrogen 2.923 N/A GLN 52.A N LEU 47.A O no hydrogen 2.947 N/A GLN 52.A NE2 ASP 64.A OD2 no hydrogen 3.035 N/A GLY 53.A N ASN 49.A O no hydrogen 3.132 N/A GLN 54.A N GLY 48.A O no hydrogen 2.873 N/A LEU 58.A N THR 56.A OG1 no hydrogen 3.290 N/A VAL 60.A N THR 57.A O no hydrogen 3.077 N/A THR 61.A N ASP 64.A OD2 no hydrogen 3.061 N/A ASP 64.A N THR 61.A OG1 no hydrogen 3.021 N/A ILE 65.A N THR 61.A O no hydrogen 3.161 N/A ALA 66.A N LEU 62.A O no hydrogen 2.899 N/A TYR 67.A N ASP 63.A O no hydrogen 2.964 N/A HIS 68.A N ASP 64.A O no hydrogen 3.191 N/A HIS 68.A ND1 TYR 25.A O no hydrogen 2.936 N/A THR 69.A N ILE 65.A O no hydrogen 2.806 N/A THR 69.A OG1 ILE 65.A O no hydrogen 2.789 N/A ALA 70.A N ALA 66.A O no hydrogen 2.989 N/A CYS 71.A N TYR 67.A O no hydrogen 3.118 N/A CYS 71.A SG TYR 67.A O no hydrogen 3.402 N/A VAL 72.A N HIS 68.A O no hydrogen 2.992 N/A ALA 73.A N THR 69.A O no hydrogen 2.836 N/A ARG 74.A N ALA 70.A O no hydrogen 3.013 N/A ALA 75.A N VAL 72.A O no hydrogen 3.150 N/A GLN 76.A N ALA 73.A O no hydrogen 2.897 N/A ARG 78.A N ASP 34.A OD2 no hydrogen 2.775 N/A ALA 79.A N ASP 34.A OD1 no hydrogen 3.052 N/A LEU 80.A N ASP 39.A O no hydrogen 3.044 N/A ILE 81.A N GLN 109.A OE1 no hydrogen 2.798 N/A VAL 82.A N GLN 41.A O no hydrogen 2.918 N/A ALA 83.A N MET 110.A O no hydrogen 2.993 N/A ASP 84.A N ILE 43.A O no hydrogen 3.051 N/A LEU 85.A N LYS 112.A O no hydrogen 2.845 N/A THR 89.A N PRO 86.A O no hydrogen 3.105 N/A THR 89.A OG1 PRO 86.A O no hydrogen 2.692 N/A TYR 90.A OH GLU 114.A O no hydrogen 2.997 N/A TYR 90.A OH GLN 142.A OE1 no hydrogen 2.732 N/A THR 92.A OG1 ASP 95.A OD2 no hydrogen 2.622 N/A ASP 95.A N THR 92.A OG1 no hydrogen 3.214 N/A ALA 96.A N THR 92.A O no hydrogen 2.837 N/A PHE 97.A N PRO 93.A O no hydrogen 2.852 N/A ALA 98.A N ALA 94.A O no hydrogen 2.992 N/A SER 99.A N ASP 95.A O no hydrogen 2.909 N/A SER 99.A OG THR 89.A O no hydrogen 2.765 N/A SER 99.A OG ASP 95.A O no hydrogen 2.984 N/A ALA 100.A N ALA 96.A O no hydrogen 2.940 N/A VAL 101.A N PHE 97.A O no hydrogen 2.915 N/A LYS 102.A N ALA 98.A O no hydrogen 3.155 N/A LYS 102.A NZ ASP 63.A OD2 no hydrogen 2.651 N/A LEU 103.A N SER 99.A O no hydrogen 3.176 N/A MET 104.A N ALA 100.A O no hydrogen 2.825 N/A ARG 105.A N VAL 101.A O no hydrogen 2.899 N/A ALA 106.A N LYS 102.A O no hydrogen 3.227 N/A GLY 107.A N MET 104.A O no hydrogen 3.097 N/A ALA 108.A N LEU 103.A O no hydrogen 2.963 N/A GLN 109.A N ILE 81.A O no hydrogen 2.796 N/A VAL 111.A N PRO 132.A O no hydrogen 3.034 N/A LYS 112.A N ALA 83.A O no hydrogen 2.895 N/A LYS 112.A NZ ASP 84.A OD1 no hydrogen 2.819 N/A LYS 112.A NZ HIS 136.A ND1 no hydrogen 2.884 N/A PHE 113.A N CYS 134.A O no hydrogen 3.317 N/A GLU 114.A N TYR 90.A OH no hydrogen 3.250 N/A GLY 115.A N HIS 136.A O no hydrogen 3.073 N/A GLU 117.A N ASP 163.A OD1 no hydrogen 2.924 N/A LEU 119.A N GLY 116.A O no hydrogen 3.004 N/A ALA 120.A N GLU 117.A O no hydrogen 3.066 N/A VAL 123.A N LEU 119.A O no hydrogen 2.887 N/A ARG 124.A N ALA 120.A O no hydrogen 2.974 N/A ARG 124.A NE.B GLU 121.A OE1.B no hydrogen 2.880 N/A ARG 124.A NE.B GLU 121.A OE2.B no hydrogen 2.736 N/A ARG 124.A NH1.B GLU 121.A OE2.B no hydrogen 2.696 N/A ARG 124.A NH1.B GLU 128.A OE1 no hydrogen 3.395 N/A ARG 124.A NH2.B GLU 128.A OE1 no hydrogen 2.790 N/A ARG 124.A NH2.B GLU 128.A OE2 no hydrogen 3.065 N/A PHE 125.A N GLU 121.A O no hydrogen 2.877 N/A LEU 126.A N THR 122.A O no hydrogen 3.116 N/A VAL 127.A N VAL 123.A O no hydrogen 2.961 N/A GLU 128.A N ARG 124.A O no hydrogen 2.940 N/A ARG 129.A N PHE 125.A O no hydrogen 3.346 N/A ARG 129.A N LEU 126.A O no hydrogen 3.008 N/A ARG 129.A NH1 PHE 125.A O no hydrogen 2.924 N/A ARG 129.A NH1 GLU 128.A OE1 no hydrogen 2.856 N/A ALA 130.A N VAL 127.A O no hydrogen 3.022 N/A VAL 131.A N LEU 126.A O no hydrogen 2.963 N/A CYS 134.A N VAL 111.A O no hydrogen 2.771 N/A CYS 134.A SG ALA 135.A O no hydrogen 3.472 N/A ALA 135.A N LEU 174.A O no hydrogen 2.800 N/A HIS 136.A NE2 GLU 178.A OE1 no hydrogen 2.690 N/A VAL 137.A N VAL 176.A O no hydrogen 2.958 N/A LEU 139.A N GLU 178.A O no hydrogen 2.721 N/A THR 140.A OG1 SER 143.A OG no hydrogen 2.831 N/A GLN 142.A N GLU 114.A OE2 no hydrogen 3.098 N/A GLN 142.A NE2 ASP 45.A OD2 no hydrogen 2.816 N/A GLN 142.A NE2 LEU 85.A O no hydrogen 3.501 N/A SER 143.A N THR 140.A O no hydrogen 2.683 N/A SER 143.A OG THR 140.A O no hydrogen 3.142 N/A SER 143.A OG THR 140.A OG1 no hydrogen 2.831 N/A VAL 144.A N PRO 141.A O no hydrogen 3.220 N/A PHE 147.A N SER 143.A O no hydrogen 2.971 N/A GLN 150.A N ALA 179.A O no hydrogen 2.887 N/A GLY 156.A N THR 153.A OG1 no hydrogen 3.104 N/A ALA 157.A N THR 153.A O no hydrogen 3.031 N/A ALA 158.A N GLU 154.A O no hydrogen 2.973 N/A GLN 159.A N ALA 155.A O no hydrogen 3.045 N/A GLN 159.A NE2 GLU 117.A OE2 no hydrogen 2.767 N/A GLN 159.A NE2 ASP 163.A OD1 no hydrogen 2.840 N/A LEU 160.A N GLY 156.A O no hydrogen 3.004 N/A LEU 161.A N ALA 157.A O no hydrogen 3.100 N/A ARG 162.A N ALA 158.A O no hydrogen 3.065 N/A ARG 162.A NE.A GLN 159.A OE1 no hydrogen 3.244 N/A ARG 162.A NE.B GLU 117.A OE1 no hydrogen 3.270 N/A ARG 162.A NE.B GLU 117.A OE2 no hydrogen 3.091 N/A ARG 162.A NH2.A GLN 159.A OE1 no hydrogen 3.061 N/A ARG 162.A NH2.B GLU 117.A OE1 no hydrogen 2.864 N/A ASP 163.A N GLN 159.A O no hydrogen 2.766 N/A ALA 164.A N LEU 160.A O no hydrogen 2.934 N/A ARG 165.A N LEU 161.A O no hydrogen 2.964 N/A ARG 165.A NH2 GLU 191.A OE1 no hydrogen 2.643 N/A ALA 166.A N ARG 162.A O no hydrogen 2.993 N/A VAL 167.A N ASP 163.A O no hydrogen 3.170 N/A GLU 168.A N ALA 164.A O no hydrogen 3.076 N/A GLU 169.A N ARG 165.A O no hydrogen 2.827 N/A ALA 170.A N ALA 166.A O no hydrogen 3.056 N/A GLY 171.A N VAL 167.A O no hydrogen 3.168 N/A GLY 171.A N GLU 168.A O no hydrogen 2.955 N/A ALA 172.A N VAL 167.A O no hydrogen 3.005 N/A GLN 173.A N VAL 133.A O no hydrogen 2.954 N/A ILE 175.A N PRO 195.A O no hydrogen 3.260 N/A VAL 176.A N ALA 135.A O no hydrogen 2.884 N/A LEU 177.A N ILE 197.A O no hydrogen 2.802 N/A GLU 178.A N VAL 137.A O no hydrogen 3.086 N/A ALA 179.A N ILE 199.A O no hydrogen 2.994 N/A VAL 180.A N GLY 200.A O no hydrogen 3.111 N/A THR 182.A N PHE 260.A O no hydrogen 3.030 N/A THR 182.A OG1 PHE 260.A O no hydrogen 3.344 N/A ALA 185.A N PRO 181.A O no hydrogen 2.915 N/A ALA 186.A N THR 182.A O no hydrogen 2.964 N/A GLU 187.A N LEU 183.A O no hydrogen 3.180 N/A VAL 188.A N VAL 184.A O no hydrogen 3.039 N/A THR 189.A N ALA 185.A O no hydrogen 2.980 N/A THR 189.A OG1 ALA 185.A O no hydrogen 2.948 N/A THR 189.A OG1 THR 196.A OG1 no hydrogen 2.755 N/A THR 189.A OG1 GLU 204.A O no hydrogen 3.039 N/A ARG 190.A N ALA 186.A O no hydrogen 2.970 N/A GLU 191.A N GLU 187.A O no hydrogen 2.998 N/A LEU 192.A N VAL 188.A O no hydrogen 2.903 N/A SER 193.A N GLU 168.A OE2 no hydrogen 2.677 N/A ILE 194.A N GLU 168.A OE2 no hydrogen 3.061 N/A THR 196.A N SER 206.A OG no hydrogen 3.073 N/A THR 196.A OG1 THR 189.A OG1 no hydrogen 2.755 N/A ILE 197.A N ILE 175.A O no hydrogen 2.759 N/A GLY 198.A N GLY 207.A O no hydrogen 2.896 N/A ILE 199.A N LEU 177.A O no hydrogen 2.954 N/A CYS 205.A SG ALA 201.A O no hydrogen 4.027 N/A CYS 205.A SG GLY 202.A O no hydrogen 3.921 N/A SER 206.A N THR 196.A OG1 no hydrogen 3.104 N/A GLN 208.A N ILE 19.A O no hydrogen 2.960 N/A GLN 208.A NE2 GLY 202.A O no hydrogen 2.957 N/A VAL 209.A N GLY 198.A O no hydrogen 2.956 N/A LEU 212.A N THR 23.A OG1 no hydrogen 2.906 N/A MET 215.A N VAL 211.A O no hydrogen 3.236 N/A LEU 216.A N LEU 212.A O no hydrogen 2.984 N/A GLY 217.A N ASP 214.A O no hydrogen 3.019 N/A VAL 218.A N.A HIS 213.A O no hydrogen 3.083 N/A VAL 218.A N.B HIS 213.A O no hydrogen 3.151 N/A ARG 225.A NE GLU 257.A O no hydrogen 3.203 N/A VAL 227.A N PRO 224.A O no hydrogen 3.359 N/A PHE 230.A N MET 215.A O no hydrogen 2.833 N/A MET 231.A N ASP 229.A OD1 no hydrogen 2.882 N/A GLN 232.A N ASP 229.A OD1 no hydrogen 3.078 N/A GLN 234.A N MET 231.A O no hydrogen 2.739 N/A GLN 234.A NE2 PHE 230.A O no hydrogen 3.192 N/A ALA 239.A N SER 236.A OG no hydrogen 2.957 N/A ALA 240.A N SER 236.A O no hydrogen 3.147 N/A VAL 241.A N ILE 237.A O no hydrogen 3.106 N/A GLU 242.A N PHE 238.A O no hydrogen 2.903 N/A ALA 243.A N ALA 239.A O no hydrogen 2.911 N/A TYR 244.A N ALA 240.A O no hydrogen 3.082 N/A TYR 244.A OH MET 21.A O no hydrogen 2.717 N/A VAL 245.A N VAL 241.A O no hydrogen 3.001 N/A ARG 246.A N GLU 242.A O no hydrogen 2.957 N/A ALA 247.A N ALA 243.A O no hydrogen 2.867 N/A VAL 248.A N TYR 244.A O no hydrogen 2.982 N/A LYS 249.A N VAL 245.A O no hydrogen 3.084 N/A LYS 249.A NZ GLU 17.A OE2 no hydrogen 2.772 N/A LYS 249.A NZ LYS 18.A O no hydrogen 2.848 N/A LYS 249.A NZ ASP 39.A OD2 no hydrogen 2.747 N/A ASP 250.A N ARG 246.A O no hydrogen 2.759 N/A SER 252.A N ASP 250.A OD1 no hydrogen 2.967 N/A SER 252.A OG.A ASP 250.A OD1 no hydrogen 2.453 N/A SER 252.A OG.B ALA 247.A O no hydrogen 3.551 N/A SER 252.A OG.B ASP 250.A OD1 no hydrogen 3.078 N/A PHE 253.A N ALA 247.A O no hydrogen 3.090 N/A GLY 255.A N HIS 258.A ND1 no hydrogen 3.034 N/A GLU 257.A N GLU 257.A OE1 no hydrogen 2.965 N/A HIS 258.A N GLY 255.A O no hydrogen 2.873 N/A SER 259.A N PRO 256.A O no hydrogen 3.161 N/A SER 259.A OG GLY 255.A O no hydrogen 2.819 N/A