Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a1l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLU 208.A OE1 no hydrogen 2.909 N/A VAL 1.A N GLU 208.A OE2 no hydrogen 3.097 N/A LEU 2.A N ILE 196.A O no hydrogen 2.812 N/A LYS 4.A N VAL 194.A O no hydrogen 2.978 N/A GLU 5.A N GLU 136.A O no hydrogen 2.778 N/A PHE 6.A N LYS 192.A O no hydrogen 2.731 N/A ARG 7.A N VAL 138.A O no hydrogen 2.758 N/A ARG 7.A NE GLU 5.A OE1 no hydrogen 2.805 N/A ARG 7.A NH1 GLY 119.A O no hydrogen 3.317 N/A ARG 7.A NH1 GLU 122.A OE1 no hydrogen 2.982 N/A ARG 7.A NH2 GLU 5.A OE1 no hydrogen 2.961 N/A ARG 7.A NH2 GLU 122.A OE1 no hydrogen 3.496 N/A ARG 7.A NH2 GLU 122.A OE2 no hydrogen 3.041 N/A VAL 8.A N ALA 190.A O no hydrogen 2.966 N/A LEU 10.A N MET 188.A O no hydrogen 3.026 N/A CYS 12.A SG SER 13.A O no hydrogen 3.634 N/A SER 13.A N GLU 16.A OE1 no hydrogen 2.975 N/A GLU 16.A N SER 13.A OG no hydrogen 3.175 N/A TYR 17.A N SER 13.A O no hydrogen 3.006 N/A TYR 17.A OH HIS 223.A NE2 no hydrogen 2.696 N/A GLN 18.A N VAL 14.A O no hydrogen 3.311 N/A GLN 18.A N GLN 15.A O no hydrogen 3.187 N/A VAL 19.A N GLU 16.A O no hydrogen 3.119 N/A GLY 20.A N GLU 16.A O no hydrogen 2.883 N/A GLN 21.A N TYR 17.A O no hydrogen 2.690 N/A TYR 23.A N VAL 19.A O no hydrogen 2.907 N/A SER 24.A N GLY 20.A O no hydrogen 2.847 N/A SER 24.A OG GLY 20.A O no hydrogen 2.917 N/A VAL 25.A N GLN 21.A O no hydrogen 2.798 N/A ALA 26.A N LEU 22.A O no hydrogen 3.063 N/A GLU 27.A N TYR 23.A O no hydrogen 3.143 N/A ALA 28.A N SER 24.A O no hydrogen 2.811 N/A SER 29.A N VAL 25.A O no hydrogen 2.934 N/A SER 29.A OG VAL 25.A O no hydrogen 2.702 N/A LYS 30.A N ALA 26.A O no hydrogen 3.371 N/A LYS 30.A NZ GLU 27.A OE2 no hydrogen 2.679 N/A LYS 30.A NZ GLU 251.A OE1 no hydrogen 3.321 N/A ASN 31.A N GLU 27.A O no hydrogen 3.161 N/A GLU 32.A N SER 29.A O no hydrogen 3.246 N/A THR 33.A N LYS 30.A O no hydrogen 3.268 N/A THR 33.A OG1 SER 29.A O no hydrogen 2.799 N/A GLY 34.A N GLU 37.A O no hydrogen 2.677 N/A GLY 35.A N LYS 258.A O no hydrogen 2.795 N/A GLY 36.A N ARG 256.A O no hydrogen 2.617 N/A GLU 37.A N GLY 34.A O no hydrogen 2.937 N/A GLY 38.A N HIS 62.A O no hydrogen 3.055 N/A ILE 39.A N THR 33.A OG1 no hydrogen 2.783 N/A GLU 40.A N ILE 60.A O no hydrogen 2.867 N/A LEU 42.A N HIS 58.A O no hydrogen 2.716 N/A LYS 43.A N HIS 58.A O no hydrogen 3.119 N/A ASN 44.A ND2 GLU 245.A OE1 no hydrogen 3.002 N/A GLU 45.A N TYR 56.A O no hydrogen 2.826 N/A TYR 47.A N GLY 54.A O no hydrogen 2.786 N/A TYR 47.A OH GLU 52.A OE2 no hydrogen 2.579 N/A GLY 51.A N ASP 50.A OD1 no hydrogen 2.502 N/A GLU 52.A N ASN 49.A O no hydrogen 2.822 N/A LYS 53.A NZ GLU 48.A OE1 no hydrogen 2.772 N/A GLY 54.A N TYR 47.A O no hydrogen 3.214 N/A GLN 55.A N ASN 88.A O no hydrogen 2.764 N/A GLN 55.A NE2 ASN 44.A OD1 no hydrogen 2.964 N/A TYR 56.A N GLU 45.A O no hydrogen 2.552 N/A THR 57.A N ALA 86.A O no hydrogen 3.022 N/A HIS 58.A N LYS 43.A O no hydrogen 2.871 N/A HIS 58.A NE2 HIS 83.A ND1 no hydrogen 2.639 N/A LYS 59.A N GLU 84.A O no hydrogen 2.944 N/A ILE 60.A N GLU 40.A O no hydrogen 2.786 N/A TYR 61.A N PHE 82.A O no hydrogen 2.838 N/A TYR 61.A OH GLU 84.A OE1 no hydrogen 2.571 N/A HIS 62.A N GLY 38.A O no hydrogen 2.889 N/A HIS 62.A NE2 GLU 40.A OE1 no hydrogen 2.828 N/A LEU 63.A N LEU 80.A O no hydrogen 3.338 N/A SER 65.A N GLU 37.A OE1 no hydrogen 2.966 N/A SER 65.A N GLU 37.A OE2 no hydrogen 2.984 N/A SER 65.A OG GLU 37.A OE1 no hydrogen 3.183 N/A SER 65.A OG GLU 37.A OE2 no hydrogen 2.401 N/A LYS 66.A N LEU 63.A O no hydrogen 3.156 N/A LYS 66.A NZ GLU 32.A O no hydrogen 3.328 N/A LYS 66.A NZ ARG 262.A O no hydrogen 2.766 N/A VAL 67.A N LEU 63.A O no hydrogen 3.248 N/A VAL 71.A N PRO 68.A O no hydrogen 2.844 N/A ARG 72.A N PRO 68.A O no hydrogen 3.338 N/A ARG 72.A NH1 LYS 64.A O no hydrogen 3.110 N/A ARG 72.A NH1 VAL 67.A O no hydrogen 2.733 N/A MET 73.A N ALA 69.A O no hydrogen 3.023 N/A ILE 74.A N PHE 70.A O no hydrogen 3.424 N/A ALA 75.A N VAL 71.A O no hydrogen 3.011 N/A SER 79.A N PRO 76.A O no hydrogen 3.243 N/A SER 79.A OG PRO 76.A O no hydrogen 2.798 N/A PHE 82.A N TYR 61.A O no hydrogen 3.052 N/A HIS 83.A N THR 98.A O no hydrogen 3.027 N/A HIS 83.A ND1 HIS 58.A NE2 no hydrogen 2.639 N/A GLU 84.A N LYS 59.A O no hydrogen 2.704 N/A LYS 85.A N ILE 96.A O no hydrogen 2.896 N/A ALA 86.A N THR 57.A O no hydrogen 2.952 N/A TRP 87.A N ARG 94.A O no hydrogen 2.797 N/A ASN 88.A N GLN 55.A O no hydrogen 2.831 N/A ALA 89.A N TYR 92.A O no hydrogen 2.678 N/A TYR 90.A N ASN 88.A OD1 no hydrogen 3.034 N/A TYR 90.A OH VAL 14.A O no hydrogen 2.499 N/A TYR 92.A N ALA 89.A O no hydrogen 3.007 N/A CYS 93.A N THR 112.A O no hydrogen 2.938 N/A CYS 93.A SG TRP 87.A O no hydrogen 3.912 N/A CYS 93.A SG THR 95.A OG1 no hydrogen 3.593 N/A ARG 94.A N TRP 87.A O no hydrogen 3.188 N/A THR 95.A N ILE 110.A O no hydrogen 2.836 N/A ILE 96.A N LYS 85.A O no hydrogen 2.803 N/A VAL 97.A N ILE 108.A O no hydrogen 2.761 N/A THR 98.A N HIS 83.A O no hydrogen 2.829 N/A ASN 99.A ND2 SER 79.A O no hydrogen 2.761 N/A ASN 99.A ND2 VAL 81.A O no hydrogen 3.028 N/A MET 102.A N ASN 99.A OD1 no hydrogen 2.912 N/A LYS 103.A N ASN 99.A O no hydrogen 3.014 N/A LYS 103.A N GLU 100.A O no hydrogen 3.257 N/A ASP 105.A N MET 102.A O no hydrogen 2.928 N/A PHE 107.A N LYS 197.A O no hydrogen 2.953 N/A ILE 108.A N VAL 97.A O no hydrogen 2.982 N/A LYS 109.A N THR 195.A O no hydrogen 2.837 N/A ILE 110.A N THR 95.A O no hydrogen 2.871 N/A GLU 111.A N LEU 193.A O no hydrogen 2.899 N/A THR 112.A N CYS 93.A O no hydrogen 2.898 N/A TRP 113.A N TYR 191.A O no hydrogen 3.149 N/A HIS 114.A N PRO 91.A O no hydrogen 2.919 N/A HIS 114.A ND1 PRO 91.A O no hydrogen 2.727 N/A LYS 115.A N CYS 189.A O no hydrogen 3.012 N/A GLY 119.A N ASP 117.A OD1 no hydrogen 2.907 N/A LEU 121.A N TYR 191.A OH no hydrogen 2.985 N/A ASN 123.A ND2 LEU 127.A O no hydrogen 2.951 N/A HIS 125.A NE2 TYR 191.A O no hydrogen 3.120 N/A GLY 126.A N ASN 123.A O no hydrogen 2.651 N/A LEU 127.A N ASN 123.A OD1 no hydrogen 2.838 N/A THR 131.A N ASP 128.A OD2 no hydrogen 3.112 N/A THR 131.A OG1 ASP 128.A OD2 no hydrogen 2.820 N/A TRP 132.A N ASP 128.A O no hydrogen 2.685 N/A LYS 133.A N PRO 129.A O no hydrogen 3.229 N/A THR 134.A N THR 131.A O no hydrogen 2.809 N/A THR 134.A OG1 THR 131.A O no hydrogen 2.586 N/A VAL 135.A N TRP 132.A O no hydrogen 3.048 N/A VAL 138.A N GLU 5.A O no hydrogen 2.743 N/A ILE 140.A N ARG 7.A O no hydrogen 2.811 N/A ASP 141.A N GLN 147.A OE1 no hydrogen 2.924 N/A ALA 143.A N ASP 141.A OD1 no hydrogen 2.914 N/A ASP 144.A N ASP 141.A O no hydrogen 3.083 N/A SER 146.A N ASP 144.A OD2 no hydrogen 2.978 N/A SER 146.A OG ASP 144.A OD2 no hydrogen 2.542 N/A GLN 147.A N ASP 144.A O no hydrogen 3.114 N/A GLN 147.A NE2 ASP 144.A OD1 no hydrogen 3.176 N/A VAL 148.A N ARG 145.A O no hydrogen 3.191 N/A ASP 152.A N GLU 149.A O no hydrogen 2.679 N/A TYR 153.A N GLU 149.A O no hydrogen 3.163 N/A TYR 153.A OH ASP 158.A OD2 no hydrogen 2.423 N/A GLU 157.A N LYS 154.A O no hydrogen 2.898 N/A ALA 160.A N ASP 158.A OD1 no hydrogen 2.875 N/A LEU 161.A N ASP 158.A O no hydrogen 2.763 N/A SER 164.A N ARG 169.A O no hydrogen 3.332 N/A SER 164.A OG THR 167.A OG1 no hydrogen 2.638 N/A SER 164.A OG ASP 231.A OD1 no hydrogen 2.436 N/A VAL 165.A N ASP 231.A OD2 no hydrogen 2.968 N/A LYS 166.A N ASP 231.A OD1 no hydrogen 3.160 N/A LYS 166.A NZ ASP 231.A O no hydrogen 3.177 N/A THR 167.A N SER 164.A OG no hydrogen 3.135 N/A THR 167.A OG1 SER 164.A OG no hydrogen 2.638 N/A ARG 169.A N THR 167.A OG1 no hydrogen 3.334 N/A ARG 169.A NH1 GLU 16.A OE1 no hydrogen 3.197 N/A ARG 169.A NH2 GLU 16.A OE1 no hydrogen 3.292 N/A ARG 169.A NH2 GLU 16.A OE2 no hydrogen 3.307 N/A LEU 172.A N PRO 159.A O no hydrogen 2.942 N/A TRP 176.A N GLY 173.A O no hydrogen 3.186 N/A TRP 176.A NE1 ASP 141.A OD1 no hydrogen 2.909 N/A GLU 179.A N ASN 175.A O no hydrogen 3.091 N/A LEU 180.A N TRP 176.A O no hydrogen 2.797 N/A ALA 181.A N LYS 177.A O no hydrogen 2.904 N/A ASN 182.A N LYS 178.A O no hydrogen 3.384 N/A ASN 182.A N GLU 179.A O no hydrogen 3.102 N/A THR 183.A N LEU 180.A O no hydrogen 2.900 N/A THR 183.A OG1 GLU 179.A O no hydrogen 2.589 N/A LYS 187.A NZ CYS 185.A O no hydrogen 3.211 N/A MET 188.A N LEU 10.A O no hydrogen 3.319 N/A CYS 189.A N LYS 115.A O no hydrogen 2.837 N/A CYS 189.A SG VAL 8.A O no hydrogen 3.735 N/A CYS 189.A SG ALA 190.A O no hydrogen 3.775 N/A ALA 190.A N VAL 8.A O no hydrogen 2.960 N/A TYR 191.A N TRP 113.A O no hydrogen 2.888 N/A TYR 191.A OH ASP 117.A OD1 no hydrogen 2.716 N/A TYR 191.A OH ASP 117.A OD2 no hydrogen 3.411 N/A LYS 192.A N PHE 6.A O no hydrogen 2.766 N/A LYS 192.A NZ THR 112.A OG1 no hydrogen 2.821 N/A LEU 193.A N GLU 111.A O no hydrogen 2.778 N/A VAL 194.A N LYS 4.A O no hydrogen 2.713 N/A THR 195.A N LYS 109.A O no hydrogen 2.809 N/A ILE 196.A N LEU 2.A O no hydrogen 2.844 N/A LYS 197.A N PHE 107.A O no hydrogen 2.976 N/A LYS 197.A NZ ASP 104.A O no hydrogen 3.168 N/A PHE 198.A N GLU 208.A OE2 no hydrogen 2.759 N/A LYS 199.A N ASP 105.A O no hydrogen 2.757 N/A LEU 203.A N TRP 200.A O no hydrogen 2.852 N/A GLN 204.A N TRP 200.A O no hydrogen 3.145 N/A GLN 204.A NE2 GLU 208.A OE2 no hydrogen 2.998 N/A VAL 207.A N LEU 203.A O no hydrogen 2.775 N/A GLU 208.A N GLN 204.A O no hydrogen 2.919 N/A ASN 209.A N SER 205.A O no hydrogen 3.139 N/A PHE 210.A N LYS 206.A O no hydrogen 2.945 N/A ILE 211.A N VAL 207.A O no hydrogen 2.900 N/A GLN 212.A N GLU 208.A O no hydrogen 3.040 N/A GLN 212.A NE2 LEU 2.A O no hydrogen 3.179 N/A GLN 212.A NE2 VAL 194.A O no hydrogen 3.132 N/A LYS 213.A N ASN 209.A O no hydrogen 2.969 N/A GLN 214.A N PHE 210.A O no hydrogen 2.929 N/A GLU 215.A N ILE 211.A O no hydrogen 2.828 N/A LYS 216.A N GLN 212.A O no hydrogen 2.902 N/A ARG 217.A N LYS 213.A O no hydrogen 3.093 N/A ARG 217.A NE ASP 152.A OD2 no hydrogen 2.663 N/A ARG 217.A NH1 SER 265.A O no hydrogen 2.670 N/A ARG 217.A NH2 ASP 152.A OD1 no hydrogen 2.733 N/A ARG 217.A NH2 ASP 152.A OD2 no hydrogen 3.438 N/A ARG 217.A NH2 SER 265.A O no hydrogen 2.913 N/A ILE 218.A N GLN 214.A O no hydrogen 2.879 N/A PHE 219.A N GLU 215.A O no hydrogen 2.887 N/A THR 220.A N LYS 216.A O no hydrogen 2.915 N/A THR 220.A OG1 LYS 216.A O no hydrogen 2.784 N/A ASN 221.A N ARG 217.A O no hydrogen 3.005 N/A ASN 221.A ND2 ASP 152.A OD2 no hydrogen 3.141 N/A LEU 222.A N ILE 218.A O no hydrogen 3.043 N/A HIS 223.A N PHE 219.A O no hydrogen 3.140 N/A HIS 223.A ND1 PHE 219.A O no hydrogen 2.683 N/A HIS 223.A NE2 TYR 17.A OH no hydrogen 2.696 N/A ARG 224.A N THR 220.A O no hydrogen 3.090 N/A GLN 225.A N ASN 221.A O no hydrogen 2.970 N/A GLN 225.A NE2 GLU 157.A OE1 no hydrogen 3.134 N/A GLN 225.A NE2 GLU 157.A OE2 no hydrogen 3.455 N/A LEU 226.A N LEU 222.A O no hydrogen 2.778 N/A PHE 227.A N HIS 223.A O no hydrogen 3.055 N/A CYS 228.A N ARG 224.A O no hydrogen 3.165 N/A CYS 228.A SG ARG 224.A O no hydrogen 3.357 N/A TRP 229.A N GLN 225.A O no hydrogen 2.868 N/A TRP 229.A N LEU 226.A O no hydrogen 3.250 N/A ILE 230.A N PHE 227.A O no hydrogen 3.062 N/A LYS 232.A N TRP 229.A O no hydrogen 2.698 N/A TRP 233.A N TRP 229.A O no hydrogen 3.393 N/A TRP 233.A NE1 LEU 226.A O no hydrogen 2.922 N/A ILE 234.A N ILE 230.A O no hydrogen 2.779 N/A LEU 236.A N TRP 233.A O no hydrogen 3.082 N/A THR 237.A N ASP 240.A OD2 no hydrogen 3.131 N/A THR 237.A OG1 ASP 240.A OD2 no hydrogen 3.125 N/A ASP 240.A N THR 237.A O no hydrogen 2.917 N/A ASP 240.A N THR 237.A OG1 no hydrogen 3.130 N/A ILE 241.A N THR 237.A O no hydrogen 3.166 N/A ARG 242.A N MET 238.A O no hydrogen 2.979 N/A ARG 242.A NH1 GLU 245.A OE1 no hydrogen 2.578 N/A ARG 243.A N GLU 239.A O no hydrogen 3.209 N/A ARG 243.A NE GLU 239.A O no hydrogen 3.040 N/A MET 244.A N ASP 240.A O no hydrogen 2.892 N/A GLU 245.A N ILE 241.A O no hydrogen 2.753 N/A ASP 246.A N ARG 242.A O no hydrogen 3.279 N/A GLU 247.A N ARG 243.A O no hydrogen 3.146 N/A THR 248.A N MET 244.A O no hydrogen 2.787 N/A THR 248.A OG1 MET 244.A O no hydrogen 2.703 N/A GLN 249.A N GLU 245.A O no hydrogen 2.923 N/A GLN 249.A NE2 VAL 41.A O no hydrogen 3.460 N/A LYS 250.A N ASP 246.A O no hydrogen 3.425 N/A LYS 250.A NZ GLU 247.A OE2 no hydrogen 3.510 N/A GLU 251.A N GLU 247.A O no hydrogen 2.910 N/A LEU 252.A N THR 248.A O no hydrogen 2.874 N/A GLU 253.A N GLN 249.A O no hydrogen 3.398 N/A THR 254.A N LYS 250.A O no hydrogen 3.389 N/A MET 255.A N GLU 251.A O no hydrogen 3.008 N/A ARG 256.A N LEU 252.A O no hydrogen 2.983 N/A LYS 257.A N THR 254.A O no hydrogen 3.350 N/A LYS 258.A N THR 254.A O no hydrogen 3.445 N/A THR 264.A N GLU 32.A OE1 no hydrogen 2.702 N/A THR 264.A N GLU 32.A OE2 no hydrogen 2.963 N/A THR 264.A OG1 GLU 32.A OE2 no hydrogen 2.629 N/A ALA 266.A N LYS 66.A O no hydrogen 2.892 N/A