Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a2h_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N SER 3.A OG no hydrogen 3.327 N/A GLN 7.A N SER 3.A O no hydrogen 2.985 N/A HIS 8.A N GLU 4.A O no hydrogen 2.807 N/A ILE 9.A N GLU 5.A O no hydrogen 3.024 N/A ILE 10.A N GLN 6.A O no hydrogen 3.221 N/A ALA 11.A N GLN 7.A O no hydrogen 3.082 N/A ILE 12.A N HIS 8.A O no hydrogen 3.196 N/A LEU 13.A N ILE 9.A O no hydrogen 3.118 N/A LEU 14.A N ILE 10.A O no hydrogen 2.898 N/A ASP 15.A N ALA 11.A O no hydrogen 3.072 N/A ALA 16.A N ILE 12.A O no hydrogen 2.818 N/A HIS 17.A N LEU 13.A O no hydrogen 2.907 N/A HIS 18.A N LEU 14.A O no hydrogen 2.990 N/A HIS 18.A NE2 GLU 141.A OE1 no hydrogen 2.697 N/A HIS 18.A NE2 GLU 141.A OE2 no hydrogen 2.911 N/A LYS 19.A N ASP 15.A O no hydrogen 2.862 N/A LYS 19.A NZ ASP 15.A OD1 no hydrogen 2.720 N/A LYS 19.A NZ ASP 15.A OD2 no hydrogen 3.074 N/A THR 20.A N HIS 17.A O no hydrogen 2.844 N/A THR 20.A OG1 ALA 16.A O no hydrogen 2.838 N/A THR 20.A OG1 HIS 17.A O no hydrogen 3.218 N/A TYR 21.A OH TYR 25.A OH no hydrogen 2.745 N/A THR 24.A N ASP 22.A OD1 no hydrogen 2.947 N/A THR 24.A OG1 ASP 22.A OD1 no hydrogen 2.752 N/A THR 24.A OG1 ASP 22.A OD2 no hydrogen 3.376 N/A TYR 25.A N ASP 22.A O no hydrogen 3.006 N/A TYR 25.A OH TYR 21.A OH no hydrogen 2.745 N/A ALA 26.A N ASP 22.A OD2 no hydrogen 3.300 N/A PHE 28.A N TYR 25.A O no hydrogen 3.220 N/A ASP 30.A N ASP 27.A O no hydrogen 2.905 N/A PHE 31.A N PHE 28.A O no hydrogen 3.170 N/A ARG 32.A N ASP 46.A OD1 no hydrogen 2.797 N/A ARG 32.A NE ASP 46.A OD1 no hydrogen 2.894 N/A ARG 32.A NE ASP 46.A OD2 no hydrogen 3.353 N/A ARG 32.A NH1 LYS 227.A O no hydrogen 2.676 N/A ARG 32.A NH2 ASP 46.A OD2 no hydrogen 2.856 N/A ARG 32.A NH2 LYS 227.A O no hydrogen 2.823 N/A ARG 36.A NE ASP 113.A OD2 no hydrogen 2.776 N/A ARG 36.A NH1 ASP 106.A O no hydrogen 3.268 N/A ARG 36.A NH2 ASP 106.A O no hydrogen 3.148 N/A ARG 36.A NH2 LYS 108.A O no hydrogen 2.991 N/A ARG 36.A NH2 ASP 113.A OD2 no hydrogen 3.325 N/A SER 39.A OG VAL 35.A O no hydrogen 2.937 N/A MET 40.A N LYS 116.A O no hydrogen 3.038 N/A LEU 41.A N LEU 38.A O no hydrogen 3.305 N/A HIS 43.A ND1 ARG 32.A O no hydrogen 2.761 N/A HIS 43.A NE2 TYR 109.A OH no hydrogen 2.968 N/A LEU 44.A N MET 40.A O no hydrogen 2.952 N/A ALA 45.A N LEU 41.A O no hydrogen 2.922 N/A ASP 46.A N PRO 42.A O no hydrogen 3.144 N/A LEU 47.A N HIS 43.A O no hydrogen 3.036 N/A VAL 48.A N LEU 44.A O no hydrogen 2.972 N/A SER 49.A N ALA 45.A O no hydrogen 2.853 N/A SER 49.A OG THR 229.A OG1 no hydrogen 2.578 N/A TYR 50.A N ASP 46.A O no hydrogen 3.062 N/A TYR 50.A OH ASP 27.A OD2 no hydrogen 2.503 N/A SER 51.A N LEU 47.A O no hydrogen 2.981 N/A SER 51.A OG LEU 47.A O no hydrogen 2.970 N/A ILE 52.A N VAL 48.A O no hydrogen 2.769 N/A GLN 53.A N SER 49.A O no hydrogen 3.309 N/A LYS 54.A N TYR 50.A O no hydrogen 3.053 N/A VAL 55.A N SER 51.A O no hydrogen 2.831 N/A ILE 56.A N ILE 52.A O no hydrogen 2.888 N/A GLY 57.A N GLN 53.A O no hydrogen 3.132 N/A PHE 58.A N LYS 54.A O no hydrogen 2.984 N/A ALA 59.A N VAL 55.A O no hydrogen 2.805 N/A LYS 60.A N ILE 56.A O no hydrogen 2.899 N/A MET 61.A N PHE 58.A O no hydrogen 2.840 N/A ILE 62.A N ALA 59.A O no hydrogen 3.084 N/A PHE 65.A N ILE 62.A O no hydrogen 2.956 N/A ASP 67.A N GLY 64.A O no hydrogen 2.994 N/A LEU 68.A N PHE 65.A O no hydrogen 3.194 N/A ASP 72.A N THR 69.A OG1 no hydrogen 3.425 N/A GLN 73.A N THR 69.A O no hydrogen 3.025 N/A ILE 74.A N SER 70.A O no hydrogen 3.117 N/A VAL 75.A N ASP 71.A O no hydrogen 3.066 N/A LEU 76.A N ASP 72.A O no hydrogen 3.021 N/A LEU 77.A N GLN 73.A O no hydrogen 3.078 N/A LYS 78.A N ILE 74.A O no hydrogen 2.854 N/A LYS 78.A NZ ASN 238.A O no hydrogen 3.393 N/A SER 79.A N VAL 75.A O no hydrogen 3.211 N/A SER 79.A OG VAL 75.A O no hydrogen 2.682 N/A SER 79.A OG LEU 76.A O no hydrogen 3.228 N/A SER 80.A N LEU 76.A O no hydrogen 3.123 N/A SER 80.A OG LEU 76.A O no hydrogen 3.070 N/A ALA 81.A N LEU 77.A O no hydrogen 2.891 N/A VAL 84.A N SER 80.A O no hydrogen 3.003 N/A ILE 85.A N ALA 81.A O no hydrogen 2.984 N/A MET 86.A N ILE 82.A O no hydrogen 2.904 N/A LEU 87.A N GLU 83.A O no hydrogen 2.926 N/A ARG 88.A N VAL 84.A O no hydrogen 2.706 N/A ARG 88.A NH2 THR 20.A O no hydrogen 2.909 N/A SER 89.A N ILE 85.A O no hydrogen 2.964 N/A SER 89.A OG ILE 85.A O no hydrogen 3.371 N/A SER 89.A OG MET 86.A O no hydrogen 3.066 N/A ASN 90.A N LEU 87.A O no hydrogen 3.350 N/A ASN 90.A ND2 GLN 131.A O no hydrogen 3.087 N/A ASN 90.A ND2 GLN 131.A OE1 no hydrogen 2.843 N/A GLN 91.A N ARG 88.A O no hydrogen 3.376 N/A GLN 91.A NE2 HIS 17.A NE2 no hydrogen 3.232 N/A SER 92.A N SER 89.A O no hydrogen 2.897 N/A SER 92.A OG SER 89.A O no hydrogen 2.991 N/A PHE 93.A N SER 89.A O no hydrogen 2.958 N/A PHE 93.A N ASN 90.A O no hydrogen 3.274 N/A THR 94.A N SER 99.A O no hydrogen 2.720 N/A SER 99.A N THR 94.A O no hydrogen 3.292 N/A SER 99.A OG ASP 97.A OD1 no hydrogen 2.807 N/A SER 99.A OG ASP 97.A OD2 no hydrogen 3.105 N/A TRP 100.A N TYR 109.A O no hydrogen 3.014 N/A TRP 100.A NE1 SER 89.A OG no hydrogen 2.959 N/A ASP 101.A N SER 92.A O no hydrogen 2.728 N/A CYS 102.A N TYR 107.A O no hydrogen 2.938 N/A TYR 107.A N SER 104.A O no hydrogen 2.804 N/A LYS 108.A N GLN 105.A O no hydrogen 3.170 N/A TYR 109.A N TRP 100.A O no hydrogen 2.987 N/A TYR 109.A OH HIS 43.A NE2 no hydrogen 2.968 N/A ASP 110.A N ASP 113.A OD2 no hydrogen 3.438 N/A THR 112.A OG1 ASP 110.A OD2 no hydrogen 3.089 N/A ASP 113.A N ASP 110.A OD2 no hydrogen 3.145 N/A VAL 114.A N ASP 110.A O no hydrogen 3.171 N/A SER 115.A N VAL 111.A O no hydrogen 3.060 N/A SER 115.A OG THR 112.A O no hydrogen 2.701 N/A LYS 116.A N THR 112.A O no hydrogen 2.887 N/A ALA 117.A N VAL 114.A O no hydrogen 3.312 N/A GLY 118.A N SER 115.A O no hydrogen 2.899 N/A HIS 119.A ND1 GLN 214.A OE1 no hydrogen 2.967 N/A THR 120.A N GLN 214.A OE1 no hydrogen 2.999 N/A LEU 123.A N THR 120.A O no hydrogen 3.051 N/A ILE 124.A N THR 120.A O no hydrogen 2.978 N/A GLU 125.A N LEU 121.A O no hydrogen 2.912 N/A LEU 127.A N LEU 123.A O no hydrogen 3.012 N/A ILE 128.A N ILE 124.A O no hydrogen 2.990 N/A LYS 129.A N GLU 125.A O no hydrogen 3.153 N/A PHE 130.A N PRO 126.A O no hydrogen 2.883 N/A GLN 131.A N LEU 127.A O no hydrogen 3.012 N/A GLN 131.A NE2 MET 86.A O no hydrogen 2.858 N/A VAL 132.A N ILE 128.A O no hydrogen 2.844 N/A GLY 133.A N LYS 129.A O no hydrogen 2.843 N/A LEU 134.A N PHE 130.A O no hydrogen 2.826 N/A LYS 135.A N GLN 131.A O no hydrogen 2.936 N/A LYS 135.A NZ ASN 90.A O no hydrogen 2.525 N/A LYS 135.A NZ PHE 93.A O no hydrogen 2.800 N/A LYS 136.A N VAL 132.A O no hydrogen 3.021 N/A LEU 137.A N LEU 134.A O no hydrogen 3.349 N/A ASN 138.A N LYS 135.A O no hydrogen 3.262 N/A HIS 140.A N GLU 143.A OE2 no hydrogen 3.003 N/A GLU 142.A N GLU 142.A OE2 no hydrogen 2.810 N/A HIS 144.A N HIS 140.A O no hydrogen 2.984 N/A VAL 145.A N GLU 141.A O no hydrogen 2.932 N/A LEU 146.A N GLU 142.A O no hydrogen 3.206 N/A LEU 147.A N GLU 143.A O no hydrogen 3.022 N/A MET 148.A N HIS 144.A O no hydrogen 3.208 N/A ALA 149.A N VAL 145.A O no hydrogen 3.088 N/A ILE 150.A N LEU 146.A O no hydrogen 2.798 N/A CYS 151.A N LEU 147.A O no hydrogen 2.881 N/A CYS 151.A SG GLU 83.A OE1 no hydrogen 3.418 N/A ILE 152.A N MET 148.A O no hydrogen 3.123 N/A VAL 153.A N ALA 149.A O no hydrogen 3.045 N/A SER 154.A OG ILE 150.A O no hydrogen 3.384 N/A SER 154.A OG CYS 151.A O no hydrogen 2.638 N/A ARG 157.A NH1 GLU 83.A OE2 no hydrogen 3.048 N/A ARG 157.A NH2 GLU 83.A OE1 no hydrogen 3.138 N/A ARG 157.A NH2 CYS 151.A O no hydrogen 3.329 N/A VAL 160.A N ARG 157.A O no hydrogen 3.195 N/A GLN 161.A N ASP 72.A OD2 no hydrogen 2.940 N/A GLN 161.A NE2 GLY 159.A O no hydrogen 2.859 N/A ASP 162.A N ASP 72.A OD1 no hydrogen 2.955 N/A VAL 166.A N ASP 162.A O no hydrogen 3.118 N/A GLU 167.A N ALA 163.A O no hydrogen 2.854 N/A ALA 168.A N LYS 164.A O no hydrogen 2.944 N/A ILE 169.A N LEU 165.A O no hydrogen 3.229 N/A GLN 170.A N VAL 166.A O no hydrogen 2.966 N/A GLN 170.A NE2 ILE 150.A O no hydrogen 3.217 N/A ASP 171.A N GLU 167.A O no hydrogen 2.862 N/A ARG 172.A N ALA 168.A O no hydrogen 3.406 N/A LEU 173.A N ILE 169.A O no hydrogen 3.107 N/A SER 174.A N GLN 170.A O no hydrogen 2.668 N/A SER 174.A OG GLN 170.A O no hydrogen 3.112 N/A ASN 175.A N ASP 171.A O no hydrogen 2.770 N/A THR 176.A N ARG 172.A O no hydrogen 3.104 N/A THR 176.A OG1 ARG 172.A O no hydrogen 2.844 N/A LEU 177.A N LEU 173.A O no hydrogen 3.120 N/A GLN 178.A N SER 174.A O no hydrogen 2.930 N/A THR 179.A N ASN 175.A O no hydrogen 2.840 N/A THR 179.A OG1 ASN 175.A O no hydrogen 2.683 N/A TYR 180.A N THR 176.A O no hydrogen 2.943 N/A ILE 181.A N LEU 177.A O no hydrogen 3.013 N/A ARG 182.A N GLN 178.A O no hydrogen 3.296 N/A CYS 183.A N THR 179.A O no hydrogen 3.277 N/A CYS 183.A SG THR 179.A O no hydrogen 3.333 N/A ARG 184.A N TYR 180.A O no hydrogen 2.812 N/A HIS 185.A N TYR 180.A O no hydrogen 3.228 N/A HIS 185.A N ILE 181.A O no hydrogen 3.010 N/A HIS 185.A ND1 GLU 143.A OE1 no hydrogen 2.663 N/A HIS 185.A ND1 GLU 143.A OE2 no hydrogen 2.997 N/A SER 190.A N PRO 186.A O no hydrogen 3.207 N/A SER 190.A OG HIS 185.A O no hydrogen 3.347 N/A HIS 191.A N PRO 188.A O no hydrogen 3.066 N/A LEU 193.A N SER 190.A O no hydrogen 3.236 N/A LYS 196.A N GLN 192.A O no hydrogen 3.221 N/A MET 197.A N LEU 193.A O no hydrogen 2.884 N/A ILE 198.A N TYR 194.A O no hydrogen 2.946 N/A GLN 199.A N ALA 195.A O no hydrogen 2.850 N/A LYS 200.A N LYS 196.A O no hydrogen 2.980 N/A LEU 201.A N MET 197.A O no hydrogen 3.313 N/A ALA 202.A N ILE 198.A O no hydrogen 3.396 N/A ASP 203.A N GLN 199.A O no hydrogen 3.110 N/A LEU 204.A N LYS 200.A O no hydrogen 2.952 N/A ARG 205.A N LEU 201.A O no hydrogen 3.228 N/A ARG 205.A NH2 ASP 156.A OD2 no hydrogen 3.044 N/A SER 206.A N ALA 202.A O no hydrogen 3.164 N/A LEU 207.A N ASP 203.A O no hydrogen 2.722 N/A ASN 208.A N LEU 204.A O no hydrogen 2.632 N/A ASN 208.A ND2 SER 79.A O no hydrogen 2.806 N/A ASN 208.A ND2 GLU 83.A OE2 no hydrogen 2.868 N/A GLU 209.A N ARG 205.A O no hydrogen 3.046 N/A GLU 210.A N SER 206.A O no hydrogen 3.169 N/A HIS 211.A N LEU 207.A O no hydrogen 2.829 N/A SER 212.A N ASN 208.A O no hydrogen 2.827 N/A LYS 213.A N GLU 209.A O no hydrogen 3.186 N/A GLN 214.A N GLU 210.A O no hydrogen 3.324 N/A GLN 214.A NE2 GLU 210.A OE1 no hydrogen 3.068 N/A TYR 215.A N HIS 211.A O no hydrogen 2.799 N/A ARG 216.A N SER 212.A O no hydrogen 2.948 N/A SER 217.A N LYS 213.A O no hydrogen 3.145 N/A LEU 218.A N GLN 214.A O no hydrogen 3.147 N/A SER 219.A N TYR 215.A O no hydrogen 2.988 N/A SER 219.A OG TYR 215.A O no hydrogen 2.756 N/A GLN 221.A N LEU 218.A O no hydrogen 3.185 N/A ASN 224.A N GLN 221.A O no hydrogen 2.663 N/A ASN 224.A ND2 LEU 218.A O no hydrogen 2.891 N/A SER 225.A N GLN 221.A O no hydrogen 3.166 N/A SER 225.A OG SER 219.A O no hydrogen 2.471 N/A MET 226.A N PRO 222.A O no hydrogen 2.945 N/A LYS 227.A N ASN 224.A O no hydrogen 3.050 N/A LEU 228.A N SER 225.A O no hydrogen 3.042 N/A THR 229.A OG1 SER 49.A OG no hydrogen 2.578 N/A VAL 232.A N THR 229.A OG1 no hydrogen 3.252 N/A LEU 233.A N THR 229.A O no hydrogen 3.102 N/A GLU 234.A N PRO 230.A O no hydrogen 2.962 N/A VAL 235.A N LEU 231.A O no hydrogen 2.753 N/A PHE 236.A N VAL 232.A O no hydrogen 2.708 N/A