Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cdg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 ASP 28.A OD1 no hydrogen 3.125 N/A HIS 2.A ND1 ASP 28.A OD2 no hydrogen 2.876 N/A SER 3.A N ASP 28.A OD1 no hydrogen 3.236 N/A LEU 4.A N CYS 100.A O no hydrogen 3.209 N/A LYS 5.A N TYR 26.A O no hydrogen 2.864 N/A TYR 6.A N HIS 98.A O no hydrogen 2.954 N/A PHE 7.A N VAL 24.A O no hydrogen 2.889 N/A HIS 8.A N TRP 96.A O no hydrogen 2.775 N/A HIS 8.A ND1 SER 23.A OG no hydrogen 2.473 N/A HIS 8.A NE2 HIS 98.A NE2 no hydrogen 3.227 N/A THR 9.A N ILE 22.A O no hydrogen 2.824 N/A SER 10.A N LEU 94.A O no hydrogen 2.817 N/A SER 10.A OG ARG 20.A O no hydrogen 3.536 N/A VAL 11.A N ARG 20.A O no hydrogen 2.831 N/A SER 12.A N HIS 92.A O no hydrogen 3.031 N/A ARG 13.A NH1 ASP 38.A OD1 no hydrogen 2.846 N/A ARG 20.A N VAL 11.A O no hydrogen 2.746 N/A ARG 20.A NE ASP 36.A OD1 no hydrogen 3.182 N/A ARG 20.A NH2 ASP 36.A OD2 no hydrogen 2.809 N/A PHE 21.A N ASN 37.A OD1 no hydrogen 2.627 N/A ILE 22.A N THR 9.A O no hydrogen 2.729 N/A SER 23.A N PHE 35.A O no hydrogen 2.895 N/A SER 23.A OG HIS 8.A ND1 no hydrogen 2.473 N/A VAL 24.A N PHE 7.A O no hydrogen 3.059 N/A GLY 25.A N VAL 33.A O no hydrogen 2.900 N/A TYR 26.A N LYS 5.A O no hydrogen 2.769 N/A VAL 27.A N THR 30.A O no hydrogen 2.837 N/A ASP 28.A N SER 3.A O no hydrogen 2.908 N/A THR 30.A N VAL 27.A O no hydrogen 2.726 N/A THR 30.A OG1 TYR 208.A OH no hydrogen 2.862 N/A GLN 31.A NE2 VAL 33.A O no hydrogen 3.635 N/A PHE 32.A N GLY 25.A O no hydrogen 3.010 N/A ARG 34.A N VAL 45.A O no hydrogen 3.184 N/A PHE 35.A N SER 23.A O no hydrogen 2.767 N/A ASN 37.A N PHE 21.A O no hydrogen 3.304 N/A ASN 37.A ND2 PRO 19.A O no hydrogen 3.199 N/A ASP 38.A N ASP 36.A O no hydrogen 2.542 N/A ALA 39.A N ASP 36.A O no hydrogen 3.149 N/A MET 44.A N THR 63.A OG1 no hydrogen 3.149 N/A VAL 45.A N ARG 34.A O no hydrogen 3.092 N/A ARG 47.A N PHE 32.A O no hydrogen 2.352 N/A MET 51.A N ALA 48.A O no hydrogen 3.023 N/A GLN 53.A NE2 TRP 50.A O no hydrogen 2.876 N/A GLN 53.A NE2 GLU 54.A OE1 no hydrogen 2.831 N/A GLU 54.A N MET 51.A O no hydrogen 3.055 N/A TYR 58.A N GLY 55.A O no hydrogen 3.000 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.504 N/A TRP 59.A N GLY 55.A O no hydrogen 3.157 N/A ASP 60.A N SER 56.A O no hydrogen 2.695 N/A GLU 62.A N TYR 58.A O no hydrogen 3.092 N/A THR 63.A N TRP 59.A O no hydrogen 3.310 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.645 N/A ARG 64.A N ASP 60.A O no hydrogen 2.855 N/A SER 65.A N ARG 61.A O no hydrogen 3.002 N/A ALA 66.A N GLU 62.A O no hydrogen 2.815 N/A ARG 67.A N THR 63.A O no hydrogen 2.835 N/A ARG 67.A NE PRO 42.A O no hydrogen 2.968 N/A ARG 67.A NH2 PRO 42.A O no hydrogen 3.290 N/A ASP 68.A N ARG 64.A O no hydrogen 3.136 N/A THR 69.A N SER 65.A O no hydrogen 2.899 N/A THR 69.A OG1 SER 65.A O no hydrogen 2.751 N/A ALA 70.A N ALA 66.A O no hydrogen 2.986 N/A GLN 71.A N ARG 67.A O no hydrogen 3.281 N/A ILE 72.A N ASP 68.A O no hydrogen 3.298 N/A PHE 73.A N THR 69.A O no hydrogen 3.047 N/A ARG 74.A N ALA 70.A O no hydrogen 2.957 N/A VAL 75.A N GLN 71.A O no hydrogen 3.145 N/A ASN 76.A N ILE 72.A O no hydrogen 2.911 N/A LEU 77.A N PHE 73.A O no hydrogen 2.733 N/A ARG 78.A N ARG 74.A O no hydrogen 3.500 N/A THR 79.A N VAL 75.A O no hydrogen 2.718 N/A THR 79.A OG1 VAL 75.A O no hydrogen 3.020 N/A LEU 80.A N ASN 76.A O no hydrogen 2.693 N/A ARG 81.A N LEU 77.A O no hydrogen 2.830 N/A GLY 82.A N ARG 78.A O no hydrogen 2.998 N/A TYR 83.A N THR 79.A O no hydrogen 3.336 N/A TYR 84.A N LEU 80.A O no hydrogen 2.891 N/A ASN 85.A N GLY 82.A O no hydrogen 2.826 N/A GLN 86.A N ARG 81.A O no hydrogen 2.867 N/A GLN 86.A NE2 TYR 117.A OH no hydrogen 2.559 N/A SER 91.A OG SER 12.A O no hydrogen 2.562 N/A HIS 92.A ND1 ASP 118.A OD2 no hydrogen 3.043 N/A THR 93.A N ASP 118.A OD1 no hydrogen 2.897 N/A LEU 94.A N SER 10.A O no hydrogen 2.853 N/A GLN 95.A N ALA 116.A O no hydrogen 2.851 N/A TRP 96.A N HIS 8.A O no hydrogen 2.882 N/A TRP 96.A NE1 GLU 113.A OE2 no hydrogen 3.116 N/A MET 97.A N GLN 114.A O no hydrogen 3.227 N/A HIS 98.A N TYR 6.A O no hydrogen 3.334 N/A GLY 99.A N TYR 112.A O no hydrogen 3.146 N/A CYS 100.A N LEU 4.A O no hydrogen 3.227 N/A GLU 101.A N ARG 110.A O no hydrogen 2.783 N/A LEU 102.A N HIS 2.A O no hydrogen 2.922 N/A GLY 103.A N ARG 107.A O no hydrogen 2.775 N/A ARG 106.A N GLY 103.A O no hydrogen 3.053 N/A ARG 107.A N ASP 105.A OD2 no hydrogen 3.173 N/A LEU 109.A N GLU 101.A O no hydrogen 2.604 N/A ARG 110.A N GLU 101.A O no hydrogen 3.143 N/A ARG 110.A NH1 GLU 101.A OE2 no hydrogen 3.221 N/A ARG 110.A NH2 GLU 127.A OE1 no hydrogen 3.386 N/A TYR 112.A N GLY 99.A O no hydrogen 3.149 N/A GLN 114.A N MET 97.A O no hydrogen 3.072 N/A PHE 115.A N LEU 123.A O no hydrogen 2.668 N/A ALA 116.A N GLN 95.A O no hydrogen 2.870 N/A TYR 117.A N LYS 120.A O no hydrogen 2.923 N/A ASP 118.A N THR 93.A O no hydrogen 2.729 N/A LYS 120.A N TYR 117.A O no hydrogen 3.448 N/A TYR 122.A N PHE 115.A O no hydrogen 2.980 N/A TYR 122.A OH SER 142.A OG no hydrogen 3.231 N/A LEU 123.A N PHE 115.A O no hydrogen 3.360 N/A THR 124.A N THR 133.A O no hydrogen 3.196 N/A LEU 125.A N GLU 113.A O no hydrogen 2.797 N/A ASN 126.A N SER 131.A O no hydrogen 2.958 N/A ASN 126.A ND2 SER 131.A OG no hydrogen 2.634 N/A LEU 129.A N ASN 126.A O no hydrogen 2.632 N/A ARG 130.A N ASP 128.A OD2 no hydrogen 2.688 N/A TRP 132.A N ASN 147.A OD1 no hydrogen 2.930 N/A THR 133.A N THR 124.A O no hydrogen 2.955 N/A THR 133.A OG1 ASN 126.A OD1 no hydrogen 2.694 N/A ALA 134.A N GLU 143.A OE1 no hydrogen 2.717 N/A VAL 135.A N TYR 122.A O no hydrogen 2.997 N/A ALA 138.A N ASP 136.A O no hydrogen 2.386 N/A ALA 139.A N ASP 136.A O no hydrogen 2.734 N/A SER 142.A OG TYR 122.A OH no hydrogen 3.231 N/A GLU 143.A N ALA 139.A O no hydrogen 2.841 N/A GLN 144.A N GLN 140.A O no hydrogen 3.246 N/A LYS 145.A N ILE 141.A O no hydrogen 3.223 N/A SER 146.A N GLU 143.A O no hydrogen 2.811 N/A SER 146.A OG SER 142.A O no hydrogen 2.639 N/A ASN 147.A N GLU 143.A O no hydrogen 2.883 N/A ASN 147.A ND2 TRP 132.A O no hydrogen 3.381 N/A SER 150.A OG GLU 153.A OE1 no hydrogen 3.427 N/A GLU 151.A N SER 146.A O no hydrogen 3.055 N/A GLN 155.A N GLU 151.A O no hydrogen 3.314 N/A ARG 156.A N ALA 152.A O no hydrogen 2.866 N/A ARG 156.A NH1 GLU 153.A OE2 no hydrogen 3.173 N/A ALA 157.A N GLU 153.A O no hydrogen 2.794 N/A TYR 158.A N HIS 154.A O no hydrogen 3.119 N/A LEU 159.A N GLN 155.A O no hydrogen 3.261 N/A GLU 160.A N ARG 156.A O no hydrogen 3.411 N/A ASP 161.A N ALA 157.A O no hydrogen 2.888 N/A THR 162.A OG1 TYR 158.A O no hydrogen 3.515 N/A CYS 163.A N TYR 158.A O no hydrogen 2.749 N/A CYS 163.A SG LEU 4.A O no hydrogen 3.983 N/A GLU 165.A N ASP 161.A O no hydrogen 2.977 N/A TRP 166.A N THR 162.A O no hydrogen 2.874 N/A LEU 167.A N CYS 163.A O no hydrogen 2.867 N/A HIS 168.A N VAL 164.A O no hydrogen 3.192 N/A HIS 168.A ND1 VAL 164.A O no hydrogen 3.276 N/A LYS 169.A N GLU 165.A O no hydrogen 3.076 N/A TYR 170.A N TRP 166.A O no hydrogen 2.769 N/A TYR 170.A N LEU 167.A O no hydrogen 2.991 N/A TYR 170.A OH TYR 58.A OH no hydrogen 2.504 N/A LEU 171.A N LEU 167.A O no hydrogen 2.865 N/A GLU 172.A N HIS 168.A O no hydrogen 3.101 N/A LYS 173.A N LYS 169.A O no hydrogen 3.295 N/A GLY 174.A N TYR 170.A O no hydrogen 2.873 N/A LYS 175.A N GLU 172.A O no hydrogen 3.157 N/A THR 177.A N GLY 174.A O no hydrogen 3.056 N/A THR 177.A OG1 GLY 174.A O no hydrogen 3.446 N/A LEU 178.A N GLY 174.A O no hydrogen 3.090 N/A LEU 179.A N LYS 175.A O no hydrogen 3.172 N/A HIS 180.A NE2 GLU 182.A OE1 no hydrogen 3.164 N/A GLU 182.A N TYR 208.A O no hydrogen 3.144 N/A LYS 185.A N LEU 205.A O no hydrogen 3.020 N/A THR 189.A N ARG 201.A O no hydrogen 3.193 N/A THR 189.A OG1 HIS 191.A NE2 no hydrogen 2.752 N/A HIS 191.A N THR 199.A O no hydrogen 2.809 N/A ILE 193.A N GLU 197.A O no hydrogen 2.870 N/A SER 194.A N GLU 197.A O no hydrogen 3.202 N/A SER 194.A OG HIS 196.A ND1 no hydrogen 3.330 N/A HIS 196.A N SER 194.A OG no hydrogen 3.106 N/A GLU 197.A N SER 194.A OG no hydrogen 3.326 N/A ALA 198.A N VAL 248.A O no hydrogen 2.804 N/A THR 199.A N HIS 191.A O no hydrogen 2.629 N/A LEU 200.A N VAL 246.A O no hydrogen 2.781 N/A ARG 201.A N THR 189.A O no hydrogen 3.188 N/A CYS 202.A N ALA 244.A O no hydrogen 2.742 N/A TRP 203.A N HIS 187.A O no hydrogen 3.015 N/A ALA 204.A N LYS 242.A O no hydrogen 3.142 N/A PHE 207.A N PHE 240.A O no hydrogen 3.411 N/A TYR 208.A N GLU 182.A O no hydrogen 2.885 N/A TYR 208.A OH THR 30.A OG1 no hydrogen 2.862 N/A ALA 210.A N ASP 29.A OD2 no hydrogen 3.298 N/A THR 213.A OG1 ILE 212.A O no hydrogen 2.787 N/A THR 215.A N HIS 259.A O no hydrogen 3.171 N/A THR 215.A OG1 HIS 259.A O no hydrogen 3.001 N/A TRP 216.A NE1 ALA 244.A O no hydrogen 2.979 N/A GLN 217.A N THR 257.A O no hydrogen 3.042 N/A GLN 218.A N GLU 221.A O no hydrogen 3.089 N/A ASP 219.A N ARG 255.A O no hydrogen 2.814 N/A HIS 223.A NE2 GLN 225.A OE1 no hydrogen 3.078 N/A THR 224.A OG1 TRP 216.A O no hydrogen 3.549 N/A THR 224.A OG1 HIS 223.A O no hydrogen 2.236 N/A GLU 228.A N ALA 245.A O no hydrogen 2.954 N/A VAL 230.A N TRP 243.A O no hydrogen 3.386 N/A ARG 233.A N GLN 241.A O no hydrogen 2.876 N/A ARG 233.A NE GLN 241.A OE1 no hydrogen 3.013 N/A ARG 233.A NH2 GLN 241.A OE1 no hydrogen 3.472 N/A ALA 235.A N THR 239.A O no hydrogen 2.998 N/A THR 239.A N ASP 237.A OD1 no hydrogen 2.927 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.518 N/A THR 239.A OG1 ASP 237.A OD2 no hydrogen 3.420 N/A PHE 240.A N PHE 207.A O no hydrogen 2.775 N/A GLN 241.A N ARG 233.A O no hydrogen 2.888 N/A LYS 242.A N ALA 204.A O no hydrogen 3.157 N/A LYS 242.A NZ VAL 230.A O no hydrogen 2.811 N/A LYS 242.A NZ THR 232.A OG1 no hydrogen 2.986 N/A ALA 244.A N CYS 202.A O no hydrogen 3.011 N/A ALA 245.A N GLU 228.A O no hydrogen 2.959 N/A VAL 246.A N LEU 200.A O no hydrogen 2.897 N/A VAL 248.A N ALA 198.A O no hydrogen 2.721 N/A SER 250.A N HIS 196.A O no hydrogen 2.919 N/A SER 250.A OG ASP 195.A O no hydrogen 3.204 N/A SER 250.A OG HIS 196.A O no hydrogen 2.771 N/A GLY 251.A N GLU 253.A OE2 no hydrogen 3.065 N/A GLU 252.A N PRO 249.A O no hydrogen 3.221 N/A ARG 255.A N GLU 252.A O no hydrogen 2.711 N/A TYR 256.A N GLU 253.A O no hydrogen 3.158 N/A THR 257.A N GLN 217.A O no hydrogen 2.676 N/A THR 257.A OG1 GLN 217.A O no hydrogen 3.370 N/A CYS 258.A N LEU 271.A O no hydrogen 3.255 N/A CYS 258.A SG THR 215.A O no hydrogen 3.947 N/A HIS 259.A N THR 215.A O no hydrogen 2.666 N/A VAL 260.A N VAL 269.A O no hydrogen 3.321 N/A HIS 262.A ND1 GLU 211.A O no hydrogen 2.988 N/A HIS 262.A NE2 TYR 208.A O no hydrogen 3.286 N/A VAL 269.A N VAL 260.A O no hydrogen 3.207 N/A LEU 271.A N CYS 258.A O no hydrogen 3.018 N/A