Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a2i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 8.A N GLN 11.A OE1 no hydrogen 3.320 N/A GLN 11.A N SER 8.A OG no hydrogen 3.112 N/A GLN 12.A N SER 8.A O no hydrogen 2.769 N/A ARG 13.A N GLU 9.A O no hydrogen 2.994 N/A ILE 14.A N GLU 10.A O no hydrogen 2.935 N/A ILE 15.A N GLN 11.A O no hydrogen 3.106 N/A ALA 16.A N GLN 12.A O no hydrogen 3.142 N/A ILE 17.A N ARG 13.A O no hydrogen 2.754 N/A LEU 18.A N ILE 14.A O no hydrogen 2.896 N/A LEU 19.A N ILE 15.A O no hydrogen 2.851 N/A ASP 20.A N ALA 16.A O no hydrogen 2.934 N/A ALA 21.A N ILE 17.A O no hydrogen 2.973 N/A HIS 22.A N LEU 18.A O no hydrogen 2.894 N/A HIS 22.A NE2 GLU 107.A OE2 no hydrogen 3.365 N/A HIS 23.A N LEU 19.A O no hydrogen 3.027 N/A LYS 24.A N ASP 20.A O no hydrogen 3.216 N/A LYS 24.A N ALA 21.A O no hydrogen 3.243 N/A LYS 24.A NZ ASP 20.A OD1 no hydrogen 3.527 N/A THR 25.A N HIS 22.A O no hydrogen 3.019 N/A THR 25.A OG1 ALA 21.A O no hydrogen 3.001 N/A THR 25.A OG1 HIS 22.A O no hydrogen 3.402 N/A TYR 26.A N HIS 22.A O no hydrogen 2.751 N/A TYR 26.A OH TYR 30.A OH no hydrogen 3.025 N/A THR 29.A N ASP 27.A OD1 no hydrogen 3.090 N/A THR 29.A OG1 ASP 27.A OD1 no hydrogen 2.429 N/A THR 29.A OG1 ASP 27.A OD2 no hydrogen 3.323 N/A TYR 30.A OH TYR 26.A OH no hydrogen 3.025 N/A SER 31.A N ASP 27.A OD2 no hydrogen 3.120 N/A SER 31.A OG ASP 27.A OD2 no hydrogen 2.843 N/A PHE 33.A N TYR 30.A O no hydrogen 3.461 N/A GLN 35.A N ASP 32.A O no hydrogen 2.847 N/A PHE 36.A N PHE 33.A O no hydrogen 3.266 N/A ARG 37.A N ASP 62.A OD1 no hydrogen 2.967 N/A ARG 37.A NE ASP 62.A OD1 no hydrogen 2.855 N/A ARG 37.A NE ASP 62.A OD2 no hydrogen 3.394 N/A ARG 37.A NH1 MET 242.A O no hydrogen 2.881 N/A ARG 37.A NH2 ASP 62.A OD2 no hydrogen 3.003 N/A ARG 37.A NH2 LYS 243.A O no hydrogen 2.942 N/A ARG 37.A NH2 LEU 244.A O no hydrogen 3.142 N/A ARG 41.A NE ASP 129.A OD1 no hydrogen 2.907 N/A ARG 41.A NE ASP 129.A OD2 no hydrogen 3.180 N/A ARG 41.A NH1 ASP 122.A O no hydrogen 2.928 N/A ARG 41.A NH2 ASP 122.A O no hydrogen 3.010 N/A ARG 41.A NH2 ASP 129.A OD2 no hydrogen 2.969 N/A GLU 50.A N SER 46.A O no hydrogen 2.917 N/A LEU 51.A N VAL 47.A O no hydrogen 3.100 N/A SER 52.A N THR 48.A O no hydrogen 2.922 N/A GLN 53.A N LEU 49.A O no hydrogen 3.101 N/A LEU 54.A N GLU 50.A O no hydrogen 2.741 N/A SER 55.A OG VAL 40.A O no hydrogen 3.007 N/A MET 56.A N LYS 132.A O no hydrogen 3.390 N/A LEU 57.A N LEU 54.A O no hydrogen 3.298 N/A HIS 59.A ND1 ARG 37.A O no hydrogen 2.679 N/A HIS 59.A NE2 TYR 125.A OH no hydrogen 2.889 N/A LEU 60.A N MET 56.A O no hydrogen 3.080 N/A ALA 61.A N LEU 57.A O no hydrogen 2.824 N/A ASP 62.A N PRO 58.A O no hydrogen 3.250 N/A LEU 63.A N HIS 59.A O no hydrogen 2.920 N/A VAL 64.A N LEU 60.A O no hydrogen 2.777 N/A SER 65.A N ALA 61.A O no hydrogen 3.006 N/A SER 65.A OG THR 245.A OG1 no hydrogen 2.830 N/A TYR 66.A N ASP 62.A O no hydrogen 2.846 N/A TYR 66.A OH ASP 32.A OD2 no hydrogen 2.592 N/A SER 67.A N LEU 63.A O no hydrogen 2.795 N/A SER 67.A OG LEU 63.A O no hydrogen 2.787 N/A ILE 68.A N VAL 64.A O no hydrogen 2.840 N/A GLN 69.A N SER 65.A O no hydrogen 3.081 N/A LYS 70.A N TYR 66.A O no hydrogen 3.244 N/A VAL 71.A N SER 67.A O no hydrogen 2.829 N/A ILE 72.A N ILE 68.A O no hydrogen 2.919 N/A GLY 73.A N GLN 69.A O no hydrogen 3.035 N/A PHE 74.A N LYS 70.A O no hydrogen 2.816 N/A ALA 75.A N VAL 71.A O no hydrogen 2.720 N/A LYS 76.A N ILE 72.A O no hydrogen 3.161 N/A MET 77.A N PHE 74.A O no hydrogen 3.087 N/A ILE 78.A N ALA 75.A O no hydrogen 3.001 N/A PHE 81.A N ILE 78.A O no hydrogen 3.004 N/A ASP 83.A N GLY 80.A O no hydrogen 2.768 N/A LEU 84.A N PHE 81.A O no hydrogen 3.378 N/A ASP 88.A N THR 85.A OG1 no hydrogen 3.337 N/A GLN 89.A N THR 85.A O no hydrogen 2.844 N/A GLN 89.A NE2 LEU 84.A O no hydrogen 3.076 N/A ILE 90.A N SER 86.A O no hydrogen 3.144 N/A VAL 91.A N GLU 87.A O no hydrogen 3.373 N/A LEU 92.A N ASP 88.A O no hydrogen 2.981 N/A LEU 93.A N GLN 89.A O no hydrogen 3.037 N/A LYS 94.A N ILE 90.A O no hydrogen 2.892 N/A LYS 94.A NZ GLU 250.A O no hydrogen 3.358 N/A LYS 94.A NZ GLU 250.A OE1 no hydrogen 2.877 N/A SER 95.A N VAL 91.A O no hydrogen 3.190 N/A SER 95.A OG VAL 91.A O no hydrogen 2.718 N/A SER 96.A N LEU 93.A O no hydrogen 3.340 N/A SER 96.A OG LEU 92.A O no hydrogen 2.760 N/A SER 96.A OG LEU 93.A O no hydrogen 3.383 N/A ALA 97.A N LEU 93.A O no hydrogen 2.850 N/A VAL 100.A N SER 96.A O no hydrogen 2.803 N/A ILE 101.A N ALA 97.A O no hydrogen 2.934 N/A MET 102.A N ILE 98.A O no hydrogen 3.070 N/A LEU 103.A N GLU 99.A O no hydrogen 2.782 N/A ARG 104.A N VAL 100.A O no hydrogen 2.764 N/A ARG 104.A NH2 THR 25.A O no hydrogen 2.748 N/A SER 105.A N ILE 101.A O no hydrogen 2.927 N/A SER 105.A OG MET 102.A O no hydrogen 2.829 N/A SER 105.A OG GLN 147.A OE1 no hydrogen 3.374 N/A ASN 106.A ND2 GLN 147.A O no hydrogen 3.074 N/A ASN 106.A ND2 GLN 147.A OE1 no hydrogen 2.842 N/A GLU 107.A N ARG 104.A O no hydrogen 3.192 N/A SER 108.A N SER 105.A O no hydrogen 3.108 N/A SER 108.A OG SER 105.A O no hydrogen 2.698 N/A PHE 109.A N SER 105.A O no hydrogen 3.078 N/A THR 110.A N SER 115.A O no hydrogen 2.793 N/A ASP 112.A N THR 110.A OG1 no hydrogen 3.222 N/A SER 115.A N THR 110.A O no hydrogen 3.373 N/A SER 115.A OG ASP 113.A OD1 no hydrogen 2.766 N/A SER 115.A OG ASP 113.A OD2 no hydrogen 3.245 N/A TRP 116.A N TYR 125.A O no hydrogen 2.897 N/A TRP 116.A NE1 SER 105.A OG no hydrogen 2.962 N/A THR 117.A N SER 108.A O no hydrogen 3.085 N/A THR 117.A OG1 SER 115.A OG no hydrogen 3.317 N/A CYS 118.A N TYR 123.A O no hydrogen 3.018 N/A LYS 124.A NZ ASP 113.A OD2 no hydrogen 2.703 N/A TYR 125.A N TRP 116.A O no hydrogen 2.798 N/A TYR 125.A OH HIS 59.A NE2 no hydrogen 2.889 N/A ARG 126.A N ASP 129.A OD2 no hydrogen 3.252 N/A ASP 129.A N ARG 126.A O no hydrogen 3.025 N/A VAL 130.A N ARG 126.A O no hydrogen 3.260 N/A VAL 130.A N VAL 127.A O no hydrogen 3.014 N/A THR 131.A N VAL 127.A O no hydrogen 2.935 N/A THR 131.A OG1 VAL 127.A O no hydrogen 3.426 N/A THR 131.A OG1 SER 128.A O no hydrogen 2.663 N/A LYS 132.A N SER 128.A O no hydrogen 3.012 N/A ALA 133.A N VAL 130.A O no hydrogen 3.347 N/A GLY 134.A N THR 131.A O no hydrogen 2.926 N/A SER 136.A N GLN 230.A OE1 no hydrogen 2.742 N/A LEU 139.A N SER 136.A O no hydrogen 3.098 N/A ILE 140.A N SER 136.A O no hydrogen 3.373 N/A GLU 141.A N LEU 137.A O no hydrogen 3.140 N/A LEU 143.A N LEU 139.A O no hydrogen 3.178 N/A ILE 144.A N ILE 140.A O no hydrogen 2.944 N/A LYS 145.A N GLU 141.A O no hydrogen 3.090 N/A PHE 146.A N PRO 142.A O no hydrogen 3.009 N/A GLN 147.A N LEU 143.A O no hydrogen 2.739 N/A GLN 147.A NE2 MET 102.A O no hydrogen 2.762 N/A VAL 148.A N ILE 144.A O no hydrogen 2.829 N/A GLY 149.A N LYS 145.A O no hydrogen 2.993 N/A LEU 150.A N PHE 146.A O no hydrogen 3.008 N/A LYS 151.A N GLN 147.A O no hydrogen 3.080 N/A LYS 151.A NZ ASN 106.A O no hydrogen 2.666 N/A LYS 151.A NZ PHE 109.A O no hydrogen 2.742 N/A LYS 152.A N VAL 148.A O no hydrogen 2.984 N/A LEU 153.A N LEU 150.A O no hydrogen 3.386 N/A ASN 154.A N LYS 151.A O no hydrogen 3.139 N/A HIS 156.A N GLU 159.A OE2 no hydrogen 2.785 N/A HIS 156.A ND1 TYR 196.A OH no hydrogen 2.872 N/A GLU 158.A N GLU 158.A OE2 no hydrogen 2.777 N/A HIS 160.A N HIS 156.A O no hydrogen 2.922 N/A VAL 161.A N GLU 157.A O no hydrogen 3.094 N/A LEU 162.A N GLU 158.A O no hydrogen 3.450 N/A LEU 163.A N GLU 159.A O no hydrogen 2.969 N/A MET 164.A N HIS 160.A O no hydrogen 3.295 N/A ALA 165.A N VAL 161.A O no hydrogen 3.071 N/A ILE 166.A N LEU 162.A O no hydrogen 2.955 N/A CYS 167.A N LEU 163.A O no hydrogen 2.892 N/A CYS 167.A SG GLU 99.A OE1 no hydrogen 3.350 N/A ILE 168.A N MET 164.A O no hydrogen 3.353 N/A VAL 169.A N ALA 165.A O no hydrogen 3.095 N/A SER 170.A N ILE 168.A O no hydrogen 3.002 N/A SER 170.A OG ILE 166.A O no hydrogen 3.167 N/A SER 170.A OG CYS 167.A O no hydrogen 2.983 N/A ARG 173.A NH1 GLU 99.A OE2 no hydrogen 2.608 N/A ARG 173.A NH2 GLU 99.A OE1 no hydrogen 3.346 N/A ARG 173.A NH2 GLU 99.A OE2 no hydrogen 3.152 N/A ARG 173.A NH2 CYS 167.A O no hydrogen 2.992 N/A GLN 177.A N ASP 88.A OD2 no hydrogen 2.973 N/A ASP 178.A N ASP 88.A OD1 no hydrogen 3.095 N/A LEU 181.A N ASP 178.A OD2 no hydrogen 3.129 N/A ILE 182.A N ASP 178.A O no hydrogen 3.331 N/A GLU 183.A N ALA 179.A O no hydrogen 3.098 N/A ALA 184.A N ALA 180.A O no hydrogen 3.046 N/A ILE 185.A N LEU 181.A O no hydrogen 2.998 N/A GLN 186.A N ILE 182.A O no hydrogen 2.930 N/A GLN 186.A NE2 ILE 166.A O no hydrogen 3.675 N/A ASP 187.A N GLU 183.A O no hydrogen 2.913 N/A ARG 188.A N ALA 184.A O no hydrogen 3.416 N/A ARG 188.A NH2 PRO 79.A O no hydrogen 2.984 N/A LEU 189.A N ILE 185.A O no hydrogen 3.110 N/A SER 190.A N GLN 186.A O no hydrogen 2.754 N/A SER 190.A OG GLN 186.A O no hydrogen 2.778 N/A ASN 191.A N ASP 187.A O no hydrogen 2.960 N/A THR 192.A N ARG 188.A O no hydrogen 3.252 N/A THR 192.A OG1 ARG 188.A O no hydrogen 2.617 N/A LEU 193.A N LEU 189.A O no hydrogen 2.872 N/A GLN 194.A N SER 190.A O no hydrogen 2.691 N/A THR 195.A N ASN 191.A O no hydrogen 2.799 N/A THR 195.A OG1 ASN 191.A O no hydrogen 2.590 N/A TYR 196.A N THR 192.A O no hydrogen 2.757 N/A TYR 196.A OH HIS 156.A ND1 no hydrogen 2.872 N/A ILE 197.A N LEU 193.A O no hydrogen 2.912 N/A ARG 198.A N GLN 194.A O no hydrogen 3.307 N/A CYS 199.A N THR 195.A O no hydrogen 3.195 N/A CYS 199.A SG PRO 5.A O no hydrogen 3.683 N/A CYS 199.A SG THR 195.A O no hydrogen 3.193 N/A HIS 201.A N ILE 197.A O no hydrogen 3.116 N/A LEU 209.A N SER 206.A O no hydrogen 3.259 N/A LYS 212.A N LEU 208.A O no hydrogen 3.416 N/A MET 213.A N LEU 209.A O no hydrogen 3.110 N/A ILE 214.A N TYR 210.A O no hydrogen 3.018 N/A GLN 215.A N ALA 211.A O no hydrogen 3.192 N/A LYS 216.A N LYS 212.A O no hydrogen 3.104 N/A LYS 216.A NZ ASP 219.A OD1 no hydrogen 3.348 N/A LEU 217.A N MET 213.A O no hydrogen 3.329 N/A ALA 218.A N GLN 215.A O no hydrogen 2.965 N/A ASP 219.A N GLN 215.A O no hydrogen 3.033 N/A LEU 220.A N LYS 216.A O no hydrogen 3.034 N/A ARG 221.A N ALA 218.A O no hydrogen 3.199 N/A ARG 221.A NH2 ASP 172.A OD2 no hydrogen 3.516 N/A SER 222.A N ALA 218.A O no hydrogen 3.398 N/A LEU 223.A N ASP 219.A O no hydrogen 3.075 N/A ASN 224.A N LEU 220.A O no hydrogen 3.019 N/A ASN 224.A ND2 SER 95.A O no hydrogen 2.875 N/A ASN 224.A ND2 GLU 99.A OE2 no hydrogen 2.698 N/A GLU 225.A N ARG 221.A O no hydrogen 2.921 N/A GLU 226.A N SER 222.A O no hydrogen 3.006 N/A HIS 227.A N LEU 223.A O no hydrogen 2.728 N/A SER 228.A N ASN 224.A O no hydrogen 3.165 N/A SER 228.A OG ASN 224.A O no hydrogen 2.896 N/A LYS 229.A N GLU 225.A O no hydrogen 3.433 N/A GLN 230.A N GLU 226.A O no hydrogen 3.092 N/A GLN 230.A NE2 SER 136.A O no hydrogen 3.664 N/A GLN 230.A NE2 GLU 226.A OE1 no hydrogen 3.052 N/A TYR 231.A N HIS 227.A O no hydrogen 2.781 N/A ARG 232.A N SER 228.A O no hydrogen 3.236 N/A CYS 233.A N LYS 229.A O no hydrogen 3.206 N/A CYS 233.A SG LYS 229.A O no hydrogen 3.408 N/A LEU 234.A N GLN 230.A O no hydrogen 3.057 N/A SER 235.A N TYR 231.A O no hydrogen 2.886 N/A SER 235.A OG ARG 232.A O no hydrogen 2.733 N/A PHE 236.A N CYS 233.A O no hydrogen 3.215 N/A GLN 237.A N LEU 234.A O no hydrogen 3.217 N/A CYS 240.A SG LEU 234.A O no hydrogen 3.352 N/A LYS 243.A N CYS 240.A O no hydrogen 2.804 N/A LYS 243.A NZ GLU 239.A O no hydrogen 3.208 N/A LEU 244.A N SER 241.A O no hydrogen 2.927 N/A THR 245.A OG1 SER 65.A OG no hydrogen 2.830 N/A VAL 248.A N THR 245.A OG1 no hydrogen 3.082 N/A LEU 249.A N THR 245.A O no hydrogen 2.967 N/A GLU 250.A N PRO 246.A O no hydrogen 3.316 N/A VAL 251.A N LEU 247.A O no hydrogen 2.947 N/A PHE 252.A N VAL 248.A O no hydrogen 3.051 N/A GLY 253.A N LEU 249.A O no hydrogen 2.757 N/A