Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qq3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.823 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.893 N/A LEU 5.A N CYS 101.A O no hydrogen 3.087 N/A SER 6.A N TYR 27.A O no hydrogen 2.772 N/A SER 6.A OG TYR 113.A OH no hydrogen 2.700 N/A TYR 7.A N TYR 99.A O no hydrogen 2.897 N/A PHE 8.A N VAL 25.A O no hydrogen 2.866 N/A TYR 9.A N SER 97.A O no hydrogen 2.988 N/A THR 10.A N ILE 23.A O no hydrogen 2.767 N/A ALA 11.A N LEU 95.A O no hydrogen 2.953 N/A VAL 12.A N ARG 21.A O no hydrogen 3.041 N/A SER 13.A N HIS 93.A O no hydrogen 3.111 N/A SER 13.A OG HIS 93.A O no hydrogen 3.540 N/A ARG 14.A N ASP 19.A O no hydrogen 2.637 N/A ARG 14.A NE ASP 19.A OD1 no hydrogen 3.000 N/A ARG 14.A NH2 ASP 19.A OD1 no hydrogen 2.807 N/A ARG 14.A NH2 ASP 19.A OD2 no hydrogen 3.139 N/A ARG 17.A N ARG 14.A O no hydrogen 3.164 N/A GLY 18.A N ARG 14.A O no hydrogen 2.904 N/A ARG 21.A N VAL 12.A O no hydrogen 2.927 N/A ARG 21.A NE ASP 37.A OD2 no hydrogen 3.149 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 2.582 N/A PHE 22.A N ASN 38.A OD1 no hydrogen 2.690 N/A ILE 23.A N THR 10.A O no hydrogen 3.001 N/A ALA 24.A N PHE 36.A O no hydrogen 2.853 N/A VAL 25.A N PHE 8.A O no hydrogen 2.957 N/A GLY 26.A N VAL 34.A O no hydrogen 3.020 N/A TYR 27.A N SER 6.A O no hydrogen 2.718 N/A VAL 28.A N THR 31.A O no hydrogen 2.796 N/A ASP 29.A N SER 4.A O no hydrogen 2.873 N/A ASP 30.A N TYR 209.A OH no hydrogen 3.192 N/A THR 31.A N VAL 28.A O no hydrogen 2.971 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 3.049 N/A PHE 33.A N GLY 26.A O no hydrogen 3.015 N/A ARG 35.A N GLU 46.A O no hydrogen 2.960 N/A ARG 35.A NE GLU 46.A OE1 no hydrogen 3.254 N/A ARG 35.A NH2 GLU 46.A OE1 no hydrogen 3.000 N/A PHE 36.A N ALA 24.A O no hydrogen 2.732 N/A ASN 38.A N PHE 22.A O no hydrogen 3.191 N/A ASN 38.A ND2 SER 20.A O no hydrogen 3.275 N/A TYR 39.A N ASP 37.A OD2 no hydrogen 2.871 N/A ARG 44.A NH1 ASP 61.A OD1 no hydrogen 3.520 N/A ARG 44.A NH2 ASP 61.A OD1 no hydrogen 2.903 N/A MET 45.A N THR 64.A OG1 no hydrogen 3.107 N/A GLU 46.A N ARG 35.A O no hydrogen 2.855 N/A ARG 48.A N PHE 33.A O no hydrogen 2.770 N/A ARG 48.A NE PRO 47.A O no hydrogen 2.903 N/A ARG 48.A NH2 PRO 47.A O no hydrogen 3.565 N/A ILE 52.A N VAL 49.A O no hydrogen 3.366 N/A GLN 53.A N PRO 50.A O no hydrogen 2.990 N/A TYR 59.A N GLY 56.A O no hydrogen 3.169 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.638 N/A ASP 61.A N GLN 57.A O no hydrogen 2.917 N/A ARG 62.A N GLU 58.A O no hydrogen 3.020 N/A GLU 63.A N TYR 59.A O no hydrogen 3.035 N/A THR 64.A N TRP 60.A O no hydrogen 2.860 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.545 N/A ARG 65.A N ASP 61.A O no hydrogen 2.969 N/A ASN 66.A N ARG 62.A O no hydrogen 3.063 N/A VAL 67.A N GLU 63.A O no hydrogen 2.844 N/A LYS 68.A N THR 64.A O no hydrogen 2.887 N/A GLU 69.A N ARG 65.A O no hydrogen 3.370 N/A THR 70.A N ASN 66.A O no hydrogen 3.053 N/A THR 70.A OG1 ASN 66.A O no hydrogen 2.773 N/A ALA 71.A N VAL 67.A O no hydrogen 2.827 N/A GLN 72.A N LYS 68.A O no hydrogen 3.240 N/A THR 73.A N GLU 69.A O no hydrogen 3.076 N/A THR 73.A OG1 GLU 69.A O no hydrogen 3.194 N/A TYR 74.A N THR 70.A O no hydrogen 2.941 N/A TYR 74.A OH SER 97.A OG no hydrogen 2.480 N/A GLY 75.A N ALA 71.A O no hydrogen 2.961 N/A VAL 76.A N GLN 72.A O no hydrogen 3.004 N/A GLY 77.A N THR 73.A O no hydrogen 2.914 N/A LEU 78.A N TYR 74.A O no hydrogen 2.940 N/A ASN 79.A N GLY 75.A O no hydrogen 3.391 N/A THR 80.A N VAL 76.A O no hydrogen 2.863 N/A THR 80.A OG1 VAL 76.A O no hydrogen 2.963 N/A LEU 81.A N GLY 77.A O no hydrogen 2.979 N/A ARG 82.A N LEU 78.A O no hydrogen 2.999 N/A ARG 82.A NE GLN 87.A O no hydrogen 3.204 N/A GLY 83.A N ASN 79.A O no hydrogen 3.323 N/A TYR 84.A N THR 80.A O no hydrogen 3.023 N/A TYR 85.A N LEU 81.A O no hydrogen 2.984 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 2.951 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 3.227 N/A ASN 86.A N GLY 83.A O no hydrogen 2.970 N/A GLN 87.A N ARG 82.A O no hydrogen 2.960 N/A GLN 87.A NE2 TYR 118.A OH no hydrogen 2.600 N/A ALA 90.A N SER 88.A OG no hydrogen 3.181 N/A SER 92.A OG SER 13.A O no hydrogen 2.625 N/A HIS 93.A N SER 13.A OG no hydrogen 2.936 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.882 N/A LEU 95.A N ALA 11.A O no hydrogen 2.874 N/A GLN 96.A N ALA 117.A O no hydrogen 2.844 N/A SER 97.A N TYR 9.A O no hydrogen 2.970 N/A SER 97.A OG TYR 74.A OH no hydrogen 2.480 N/A SER 97.A OG ASP 116.A OD2 no hydrogen 2.484 N/A MET 98.A N GLN 115.A O no hydrogen 2.888 N/A TYR 99.A N TYR 7.A O no hydrogen 3.336 N/A TYR 99.A OH TYR 9.A OH no hydrogen 2.675 N/A GLY 100.A N TYR 113.A O no hydrogen 3.084 N/A CYS 101.A N LEU 5.A O no hydrogen 2.940 N/A TYR 102.A N HIS 111.A O no hydrogen 2.644 N/A LEU 103.A N HIS 3.A O no hydrogen 2.781 N/A GLY 104.A N LEU 108.A O no hydrogen 2.782 N/A GLY 107.A N GLY 104.A O no hydrogen 2.873 N/A LEU 108.A N ASP 106.A OD2 no hydrogen 3.189 N/A LEU 110.A N TYR 102.A O no hydrogen 2.740 N/A HIS 111.A N TYR 102.A O no hydrogen 3.190 N/A TYR 113.A N GLY 100.A O no hydrogen 3.151 N/A TYR 113.A OH SER 6.A OG no hydrogen 2.700 N/A ARG 114.A NE ASP 116.A OD2 no hydrogen 2.991 N/A ARG 114.A NH2 ASP 116.A OD2 no hydrogen 3.502 N/A GLN 115.A N MET 98.A O no hydrogen 2.774 N/A ASP 116.A N ILE 124.A O no hydrogen 2.772 N/A ALA 117.A N GLN 96.A O no hydrogen 2.908 N/A TYR 118.A N ALA 121.A O no hydrogen 2.886 N/A ASP 119.A N THR 94.A O no hydrogen 2.736 N/A ALA 121.A N TYR 118.A O no hydrogen 3.240 N/A TYR 123.A N ASP 116.A O no hydrogen 2.940 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.597 N/A ALA 125.A N THR 134.A O no hydrogen 3.074 N/A LEU 126.A N ARG 114.A O no hydrogen 2.775 N/A ASN 127.A N SER 132.A O no hydrogen 2.951 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 2.869 N/A LEU 130.A N ASN 127.A O no hydrogen 2.701 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.956 N/A SER 132.A N ASP 129.A OD1 no hydrogen 3.222 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 3.142 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 2.715 N/A THR 134.A N ALA 125.A O no hydrogen 2.944 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.762 N/A ALA 136.A N TYR 123.A O no hydrogen 2.863 N/A ALA 140.A N ASP 137.A OD2 no hydrogen 3.007 N/A GLN 141.A N ASP 137.A O no hydrogen 3.267 N/A GLN 141.A N MET 138.A O no hydrogen 3.117 N/A ILE 142.A N ALA 139.A O no hydrogen 2.915 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.597 N/A LYS 144.A N ALA 140.A O no hydrogen 2.917 N/A LYS 144.A NZ TRP 133.A O no hydrogen 3.133 N/A ARG 145.A N GLN 141.A O no hydrogen 2.873 N/A LYS 146.A N ILE 142.A O no hydrogen 3.339 N/A TRP 147.A N THR 143.A O no hydrogen 2.784 N/A GLU 148.A N LYS 144.A O no hydrogen 2.940 N/A ALA 149.A N ARG 145.A O no hydrogen 3.081 N/A ALA 150.A N LYS 146.A O no hydrogen 3.048 N/A ASP 151.A N GLU 148.A O no hydrogen 2.898 N/A GLU 152.A N TRP 147.A O no hydrogen 2.830 N/A ARG 155.A N GLU 152.A O no hydrogen 3.273 N/A ARG 156.A N GLU 152.A O no hydrogen 3.349 N/A ARG 156.A NE GLU 152.A OE2 no hydrogen 3.171 N/A ARG 156.A NH2 GLU 152.A OE2 no hydrogen 2.916 N/A ARG 157.A N ALA 153.A O no hydrogen 2.869 N/A ARG 157.A NE LEU 130.A O no hydrogen 3.079 N/A ARG 157.A NH2 LEU 130.A O no hydrogen 3.504 N/A SER 158.A N GLU 154.A O no hydrogen 2.991 N/A SER 158.A OG GLU 154.A O no hydrogen 2.776 N/A SER 158.A OG ARG 155.A O no hydrogen 2.957 N/A TYR 159.A N ARG 155.A O no hydrogen 3.225 N/A LEU 160.A N ARG 156.A O no hydrogen 2.996 N/A GLN 161.A N ARG 157.A O no hydrogen 2.905 N/A CYS 164.A N TYR 159.A O no hydrogen 2.874 N/A VAL 165.A N GLY 162.A O no hydrogen 3.073 N/A GLU 166.A N GLY 162.A O no hydrogen 3.003 N/A SER 167.A N LEU 163.A O no hydrogen 2.724 N/A SER 167.A OG LEU 163.A O no hydrogen 2.878 N/A LEU 168.A N CYS 164.A O no hydrogen 3.193 N/A ARG 169.A N VAL 165.A O no hydrogen 2.986 N/A ARG 169.A NH1 GLY 107.A O no hydrogen 2.676 N/A ARG 170.A N GLU 166.A O no hydrogen 2.963 N/A ARG 170.A NH2 GLU 55.A OE2 no hydrogen 3.354 N/A TYR 171.A N SER 167.A O no hydrogen 2.767 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.638 N/A LEU 172.A N LEU 168.A O no hydrogen 2.880 N/A GLU 173.A N ARG 169.A O no hydrogen 3.195 N/A MET 174.A N ARG 170.A O no hydrogen 3.052 N/A GLY 175.A N TYR 171.A O no hydrogen 2.832 N/A LYS 176.A N GLU 173.A O no hydrogen 3.174 N/A THR 178.A N GLY 175.A O no hydrogen 3.175 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.249 N/A LEU 179.A N GLY 175.A O no hydrogen 2.706 N/A GLN 180.A N LYS 176.A O no hydrogen 3.181 N/A GLN 180.A NE2 LEU 172.A O no hydrogen 2.745 N/A GLU 183.A N TYR 209.A O no hydrogen 2.926 N/A LYS 186.A N LEU 206.A O no hydrogen 2.884 N/A HIS 188.A N TRP 204.A O no hydrogen 3.372 N/A THR 190.A N ARG 202.A O no hydrogen 2.918 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.449 N/A HIS 192.A N THR 200.A O no hydrogen 3.038 N/A SER 194.A N GLY 198.A O no hydrogen 2.840 N/A SER 194.A OG THR 200.A OG1 no hydrogen 3.053 N/A LEU 197.A N SER 194.A O no hydrogen 3.077 N/A THR 200.A N HIS 192.A O no hydrogen 2.748 N/A THR 200.A OG1 SER 194.A OG no hydrogen 3.053 N/A LEU 201.A N LEU 247.A O no hydrogen 3.057 N/A ARG 202.A N THR 190.A O no hydrogen 3.088 N/A CYS 203.A N ALA 245.A O no hydrogen 2.809 N/A TRP 204.A N HIS 188.A O no hydrogen 2.930 N/A TRP 204.A NE1 THR 190.A OG1 no hydrogen 2.839 N/A ALA 205.A N LYS 243.A O no hydrogen 2.773 N/A LEU 206.A N LYS 186.A O no hydrogen 2.771 N/A PHE 208.A N PHE 241.A O no hydrogen 3.205 N/A TYR 209.A N GLU 183.A O no hydrogen 2.849 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 3.049 N/A LYS 211.A N ASP 30.A OD1 no hydrogen 2.860 N/A SER 214.A N GLN 262.A O no hydrogen 3.142 N/A THR 216.A N HIS 260.A O no hydrogen 2.936 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 3.074 N/A GLN 218.A N THR 258.A O no hydrogen 2.839 N/A ARG 219.A N GLN 222.A O no hydrogen 3.402 N/A ARG 219.A N GLN 224.A OE1 no hydrogen 3.256 N/A ARG 219.A NH2 GLU 253.A OE1 no hydrogen 2.639 N/A ARG 219.A NH2 TYR 257.A OH no hydrogen 3.478 N/A GLN 224.A N TRP 217.A O no hydrogen 3.182 N/A SER 225.A N ASP 223.A OD2 no hydrogen 2.778 N/A MET 228.A N SER 225.A O no hydrogen 3.387 N/A GLU 229.A N ALA 246.A O no hydrogen 2.721 N/A VAL 231.A N TRP 244.A O no hydrogen 3.394 N/A ARG 234.A N GLN 242.A O no hydrogen 3.112 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 3.197 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.357 N/A SER 236.A N THR 240.A O no hydrogen 2.849 N/A SER 236.A OG THR 240.A OG1 no hydrogen 3.057 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.044 N/A THR 240.A OG1 SER 236.A OG no hydrogen 3.057 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.688 N/A PHE 241.A N PHE 208.A O no hydrogen 2.785 N/A GLN 242.A N ARG 234.A O no hydrogen 2.742 N/A LYS 243.A N ALA 205.A O no hydrogen 2.986 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.722 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.000 N/A ALA 245.A N CYS 203.A O no hydrogen 3.131 N/A ALA 246.A N GLU 229.A O no hydrogen 2.785 N/A LEU 247.A N LEU 201.A O no hydrogen 3.055 N/A VAL 249.A N VAL 199.A O no hydrogen 2.920 N/A GLY 252.A N GLU 254.A OE1 no hydrogen 2.974 N/A GLY 252.A N GLU 254.A OE2 no hydrogen 3.198 N/A GLU 253.A N PRO 250.A O no hydrogen 2.989 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.598 N/A SER 256.A N GLU 253.A O no hydrogen 3.245 N/A TYR 257.A N GLU 254.A O no hydrogen 3.043 N/A THR 258.A N GLN 218.A O no hydrogen 2.849 N/A THR 258.A OG1 GLN 218.A O no hydrogen 3.183 N/A THR 258.A OG1 HIS 260.A NE2 no hydrogen 3.218 N/A CYS 259.A N LEU 272.A O no hydrogen 2.615 N/A CYS 259.A SG THR 216.A O no hydrogen 3.928 N/A HIS 260.A N THR 216.A O no hydrogen 2.701 N/A VAL 261.A N LEU 270.A O no hydrogen 2.808 N/A GLN 262.A N SER 214.A O no hydrogen 3.008 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 2.870 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 2.976 N/A LEU 266.A N HIS 263.A O no hydrogen 2.901 N/A LEU 270.A N VAL 261.A O no hydrogen 2.687 N/A LEU 272.A N CYS 259.A O no hydrogen 2.591 N/A ARG 273.A NH1 GLN 255.A O no hydrogen 2.789 N/A