Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3d2u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N THR 104.A O no hydrogen 3.084 N/A VAL 2.A N ASP 26.A OD1 no hydrogen 2.884 N/A LEU 3.A N CYS 102.A O no hydrogen 3.187 N/A ARG 4.A N ILE 24.A O no hydrogen 2.740 N/A TYR 5.A N HIS 100.A O no hydrogen 2.997 N/A GLY 6.A N VAL 22.A O no hydrogen 2.758 N/A TYR 7.A N TRP 98.A O no hydrogen 2.750 N/A TYR 7.A OH HIS 100.A NE2 no hydrogen 2.455 N/A THR 8.A N THR 20.A O no hydrogen 3.031 N/A GLY 9.A N LEU 96.A O no hydrogen 2.823 N/A ILE 10.A N THR 18.A O no hydrogen 2.753 N/A PHE 11.A N SER 94.A O no hydrogen 3.028 N/A ASP 12.A N HIS 16.A O no hydrogen 2.826 N/A ASP 13.A N HIS 16.A O no hydrogen 2.944 N/A SER 15.A OG HIS 16.A ND1 no hydrogen 3.027 N/A HIS 16.A ND1 SER 15.A OG no hydrogen 3.027 N/A THR 18.A N ILE 10.A O no hydrogen 2.964 N/A LEU 19.A N VAL 35.A O no hydrogen 3.061 N/A THR 20.A N THR 8.A O no hydrogen 3.063 N/A VAL 21.A N TYR 33.A O no hydrogen 2.675 N/A VAL 22.A N GLY 6.A O no hydrogen 2.872 N/A GLY 23.A N PHE 31.A O no hydrogen 2.761 N/A ILE 24.A N ARG 4.A O no hydrogen 2.637 N/A PHE 25.A N GLN 28.A O no hydrogen 2.860 N/A ASP 26.A N VAL 2.A O no hydrogen 2.909 N/A GLN 28.A N PHE 25.A O no hydrogen 2.906 N/A GLN 28.A NE2 GLY 247.A O no hydrogen 2.918 N/A PHE 30.A N GLY 23.A O no hydrogen 3.120 N/A PHE 31.A N GLY 23.A O no hydrogen 3.461 N/A THR 32.A N ASN 46.A O no hydrogen 3.197 N/A TYR 33.A N VAL 21.A O no hydrogen 2.760 N/A TYR 33.A OH ASP 71.A OD1 no hydrogen 2.807 N/A HIS 34.A N ARG 44.A O no hydrogen 3.103 N/A VAL 35.A N LEU 19.A O no hydrogen 3.128 N/A SER 37.A N MET 17.A O no hydrogen 2.903 N/A SER 37.A OG GLU 78.A OE1 no hydrogen 2.281 N/A LYS 40.A NZ GLU 78.A OE1 no hydrogen 3.351 N/A LYS 40.A NZ GLU 78.A OE2 no hydrogen 2.678 N/A SER 42.A OG ASP 39.A OD1 no hydrogen 3.062 N/A SER 43.A OG ASP 71.A OD1 no hydrogen 2.812 N/A ARG 44.A N HIS 34.A O no hydrogen 3.086 N/A ARG 44.A NH1 ASN 46.A OD1 no hydrogen 3.561 N/A ASN 46.A N THR 32.A O no hydrogen 3.070 N/A THR 48.A N PHE 30.A O no hydrogen 2.798 N/A THR 48.A OG1 HIS 29.A O no hydrogen 2.866 N/A TRP 51.A NE1 GLN 28.A OE1 no hydrogen 3.124 N/A MET 52.A N ILE 49.A O no hydrogen 3.056 N/A ALA 53.A N SER 50.A O no hydrogen 3.069 N/A VAL 55.A N TRP 51.A O no hydrogen 3.178 N/A SER 56.A N MET 52.A O no hydrogen 2.915 N/A ALA 57.A N ALA 53.A O no hydrogen 2.895 N/A ALA 58.A N ASN 54.A O no hydrogen 3.119 N/A TYR 59.A N VAL 55.A O no hydrogen 2.814 N/A TYR 62.A N TYR 59.A O no hydrogen 3.096 N/A TYR 62.A OH TYR 181.A OH no hydrogen 2.354 N/A GLY 65.A N THR 61.A O no hydrogen 3.079 N/A GLU 66.A N TYR 62.A O no hydrogen 2.988 N/A ARG 67.A N LEU 63.A O no hydrogen 3.035 N/A ARG 67.A NE SER 43.A OG no hydrogen 2.768 N/A ARG 67.A NH2 SER 43.A OG no hydrogen 3.113 N/A ALA 68.A N ASP 64.A O no hydrogen 3.089 N/A LYS 69.A N GLY 65.A O no hydrogen 2.920 N/A LYS 69.A NZ GLU 66.A OE1 no hydrogen 2.721 N/A GLY 70.A N GLU 66.A O no hydrogen 2.711 N/A ASP 71.A N ARG 67.A O no hydrogen 2.814 N/A LEU 72.A N ALA 68.A O no hydrogen 3.260 N/A ILE 73.A N LYS 69.A O no hydrogen 3.032 N/A PHE 74.A N GLY 70.A O no hydrogen 2.942 N/A ASN 75.A N ASP 71.A O no hydrogen 3.296 N/A GLN 76.A N LEU 72.A O no hydrogen 3.183 N/A THR 77.A N ILE 73.A O no hydrogen 2.621 N/A THR 77.A OG1 ILE 73.A O no hydrogen 2.712 N/A GLU 78.A N PHE 74.A O no hydrogen 2.667 N/A GLN 79.A N ASN 75.A O no hydrogen 3.427 N/A ASN 80.A N GLN 76.A O no hydrogen 2.974 N/A LEU 81.A N THR 77.A O no hydrogen 2.864 N/A LEU 82.A N GLU 78.A O no hydrogen 3.256 N/A GLU 83.A N GLN 79.A O no hydrogen 3.012 N/A LEU 84.A N ASN 80.A O no hydrogen 3.005 N/A GLU 85.A N LEU 81.A O no hydrogen 2.900 N/A ILE 86.A N LEU 82.A O no hydrogen 3.112 N/A ALA 87.A N GLU 83.A O no hydrogen 3.028 N/A LEU 88.A N LEU 84.A O no hydrogen 2.641 N/A GLY 89.A N GLU 85.A O no hydrogen 2.906 N/A ARG 91.A N ASP 120.A OD2 no hydrogen 2.845 N/A SER 92.A N ASP 120.A OD1 no hydrogen 3.307 N/A SER 92.A N ASP 120.A OD2 no hydrogen 3.085 N/A GLN 93.A N ASP 120.A OD1 no hydrogen 2.859 N/A SER 94.A OG PHE 11.A O no hydrogen 2.734 N/A VAL 95.A N GLN 93.A O no hydrogen 2.947 N/A LEU 96.A N GLY 9.A O no hydrogen 2.895 N/A THR 97.A N GLY 118.A O no hydrogen 2.878 N/A THR 97.A OG1 GLY 118.A O no hydrogen 3.212 N/A TRP 98.A N TYR 7.A O no hydrogen 2.918 N/A THR 99.A N GLY 116.A O no hydrogen 2.824 N/A THR 99.A OG1 TYR 5.A O no hydrogen 2.623 N/A HIS 100.A N TYR 5.A O no hydrogen 3.254 N/A HIS 100.A NE2 TYR 7.A OH no hydrogen 2.455 N/A GLU 101.A N TYR 114.A O no hydrogen 2.818 N/A CYS 102.A N LEU 3.A O no hydrogen 2.963 N/A CYS 102.A SG LEU 170.A O no hydrogen 3.648 N/A ASN 103.A N ALA 112.A O no hydrogen 2.665 N/A THR 104.A N HIS 1.A O no hydrogen 3.248 N/A THR 104.A OG1 THR 105.A O no hydrogen 3.549 N/A THR 105.A N SER 109.A O no hydrogen 3.011 N/A THR 105.A OG1 ASN 107.A OD1 no hydrogen 3.027 N/A THR 105.A OG1 SER 109.A OG no hydrogen 2.492 N/A GLY 108.A N THR 105.A O no hydrogen 2.881 N/A SER 109.A N THR 105.A OG1 no hydrogen 3.384 N/A SER 109.A OG THR 105.A OG1 no hydrogen 2.492 N/A VAL 111.A N ASN 103.A O no hydrogen 2.640 N/A ALA 112.A N ASN 103.A O no hydrogen 3.216 N/A TYR 114.A N GLU 101.A O no hydrogen 3.207 N/A TYR 114.A OH GLU 126.A OE1 no hydrogen 2.662 N/A GLU 115.A N LEU 127.A O no hydrogen 3.102 N/A GLY 116.A N THR 99.A O no hydrogen 2.825 N/A PHE 117.A N MET 125.A O no hydrogen 2.856 N/A GLY 118.A N THR 97.A O no hydrogen 2.843 N/A TRP 119.A N GLU 122.A O no hydrogen 2.722 N/A ASP 120.A N VAL 95.A O no hydrogen 2.937 N/A GLU 122.A N TRP 119.A O no hydrogen 2.695 N/A LEU 124.A N PHE 117.A O no hydrogen 2.864 N/A MET 125.A N PHE 117.A O no hydrogen 3.454 N/A GLU 126.A N THR 135.A O no hydrogen 3.163 N/A LEU 127.A N GLU 115.A O no hydrogen 2.852 N/A LEU 131.A N LYS 128.A O no hydrogen 2.545 N/A THR 132.A OG1 ASN 130.A OD1 no hydrogen 2.352 N/A TRP 134.A NE1 THR 163.A OG1 no hydrogen 2.938 N/A THR 135.A N GLU 126.A O no hydrogen 2.971 N/A TYR 139.A OH ASP 152.A OD1 no hydrogen 2.398 N/A ILE 141.A N ASN 138.A O no hydrogen 3.132 N/A SER 142.A N ASN 138.A O no hydrogen 3.189 N/A SER 142.A OG GLU 122.A OE1 no hydrogen 2.705 N/A TRP 143.A NE1 ASP 120.A OD2 no hydrogen 3.099 N/A LEU 144.A N SER 142.A OG no hydrogen 3.043 N/A LYS 145.A N SER 142.A O no hydrogen 3.132 N/A LYS 145.A NZ TYR 139.A O no hydrogen 3.032 N/A LYS 145.A NZ SER 142.A O no hydrogen 2.882 N/A GLN 146.A N TRP 143.A O no hydrogen 3.087 N/A GLN 147.A N LEU 144.A O no hydrogen 3.031 N/A LYS 148.A N LYS 145.A O no hydrogen 3.070 N/A ILE 151.A N GLN 147.A O no hydrogen 3.002 N/A ASP 152.A N LYS 148.A O no hydrogen 2.828 N/A GLY 153.A N THR 149.A O no hydrogen 2.981 N/A LYS 154.A N TYR 150.A O no hydrogen 2.956 N/A ILE 155.A N ILE 151.A O no hydrogen 2.855 N/A LYS 156.A N ASP 152.A O no hydrogen 2.762 N/A ASN 157.A N GLY 153.A O no hydrogen 3.143 N/A ILE 158.A N ILE 155.A O no hydrogen 3.135 N/A ASP 162.A N SER 159.A OG no hydrogen 2.632 N/A THR 163.A OG1 SER 159.A O no hydrogen 2.979 N/A THR 164.A N GLU 160.A O no hydrogen 2.988 N/A THR 164.A OG1 GLU 160.A O no hydrogen 3.052 N/A THR 164.A OG1 GLY 161.A O no hydrogen 3.148 N/A GLN 166.A NE2 GLU 115.A OE2 no hydrogen 2.713 N/A ARG 167.A N THR 163.A O no hydrogen 2.966 N/A ARG 167.A NE ASN 130.A O no hydrogen 3.535 N/A ARG 167.A NE LEU 131.A O no hydrogen 3.048 N/A ASN 168.A N THR 164.A O no hydrogen 2.784 N/A TYR 169.A N ILE 165.A O no hydrogen 3.098 N/A LEU 170.A N GLN 166.A O no hydrogen 3.162 N/A LYS 171.A N ARG 167.A O no hydrogen 2.907 N/A CYS 174.A N TYR 169.A O no hydrogen 2.779 N/A THR 175.A OG1 LYS 171.A O no hydrogen 3.298 N/A THR 175.A OG1 GLY 172.A O no hydrogen 3.026 N/A GLN 176.A N GLY 172.A O no hydrogen 3.070 N/A TRP 177.A N ASN 173.A O no hydrogen 2.666 N/A SER 178.A N CYS 174.A O no hydrogen 3.186 N/A SER 178.A OG CYS 174.A O no hydrogen 2.717 N/A VAL 179.A N THR 175.A O no hydrogen 3.324 N/A ILE 180.A N GLN 176.A O no hydrogen 3.375 N/A TYR 181.A N TRP 177.A O no hydrogen 2.837 N/A TYR 181.A OH TYR 62.A OH no hydrogen 2.354 N/A SER 182.A N SER 178.A O no hydrogen 2.943 N/A GLY 183.A N VAL 179.A O no hydrogen 3.254 N/A GLY 183.A N ILE 180.A O no hydrogen 2.823 N/A PHE 184.A N TYR 181.A O no hydrogen 3.077 N/A GLN 185.A N TYR 181.A O no hydrogen 3.020 N/A GLN 185.A NE2 ASP 26.A OD2 no hydrogen 2.822 N/A THR 189.A N PHE 215.A O no hydrogen 2.677 N/A THR 189.A OG1 PRO 187.A O no hydrogen 2.959 N/A HIS 190.A ND1 HIS 269.A ND1 no hydrogen 2.970 N/A VAL 192.A N TYR 212.A O no hydrogen 3.021 N/A LYS 194.A N THR 210.A O no hydrogen 3.026 N/A GLY 196.A N PHE 208.A O no hydrogen 3.082 N/A ARG 198.A N GLU 206.A O no hydrogen 2.811 N/A ARG 198.A NE GLU 206.A OE1 no hydrogen 2.832 N/A ARG 198.A NH2 GLU 206.A OE1 no hydrogen 2.769 N/A GLN 200.A NE2 ASP 202.A O no hydrogen 2.618 N/A ASN 201.A N ARG 204.A O no hydrogen 2.791 N/A ARG 204.A N ASN 201.A O no hydrogen 2.827 N/A ARG 204.A NH1 ASP 233.A OD2 no hydrogen 2.892 N/A ARG 204.A NH2 ASP 233.A OD1 no hydrogen 2.426 N/A ARG 204.A NH2 ASP 233.A OD2 no hydrogen 3.227 N/A ALA 205.A N ILE 257.A O no hydrogen 2.718 N/A GLU 206.A N ARG 198.A O no hydrogen 2.930 N/A ALA 207.A N VAL 255.A O no hydrogen 2.916 N/A PHE 208.A N GLY 196.A O no hydrogen 2.908 N/A CYS 209.A N CYS 253.A O no hydrogen 3.045 N/A CYS 209.A SG LYS 194.A O no hydrogen 4.016 N/A THR 210.A N LYS 194.A O no hydrogen 2.817 N/A SER 211.A N GLN 251.A O no hydrogen 2.771 N/A TYR 212.A N VAL 192.A O no hydrogen 2.877 N/A PHE 214.A N PHE 249.A O no hydrogen 3.264 N/A PHE 215.A N THR 189.A O no hydrogen 2.957 N/A ILE 219.A N GLU 218.A OE1 no hydrogen 2.605 N/A GLN 220.A N THR 268.A O no hydrogen 2.981 N/A THR 222.A N ARG 266.A O no hydrogen 2.872 N/A ILE 224.A N THR 264.A O no hydrogen 2.681 N/A TYR 226.A N ASN 262.A O no hydrogen 2.791 N/A TYR 226.A OH GLU 275.A OE2 no hydrogen 2.836 N/A SER 234.A N PRO 231.A O no hydrogen 3.114 N/A SER 234.A OG ALA 256.A O no hydrogen 2.386 N/A GLN 237.A N TYR 254.A O no hydrogen 2.944 N/A GLN 237.A NE2 CYS 238.A O no hydrogen 3.068 N/A ASN 239.A N GLY 252.A O no hydrogen 2.757 N/A LEU 242.A N HIS 250.A O no hydrogen 2.918 N/A THR 244.A N THR 248.A O no hydrogen 2.940 N/A THR 244.A OG1 ASP 246.A OD1 no hydrogen 2.834 N/A THR 244.A OG1 THR 248.A O no hydrogen 3.280 N/A GLY 247.A N THR 244.A O no hydrogen 3.062 N/A THR 248.A N ASP 246.A OD1 no hydrogen 2.981 N/A THR 248.A OG1 THR 244.A OG1 no hydrogen 3.185 N/A THR 248.A OG1 ASP 246.A OD1 no hydrogen 2.816 N/A PHE 249.A N PHE 214.A O no hydrogen 2.690 N/A HIS 250.A N LEU 242.A O no hydrogen 2.808 N/A GLN 251.A N SER 211.A O no hydrogen 3.069 N/A GLN 251.A NE2 ASN 239.A O no hydrogen 2.917 N/A CYS 253.A N CYS 209.A O no hydrogen 2.982 N/A TYR 254.A N GLN 237.A O no hydrogen 2.741 N/A VAL 255.A N ALA 207.A O no hydrogen 2.902 N/A ILE 257.A N ALA 205.A O no hydrogen 2.911 N/A SER 259.A N ASN 203.A O no hydrogen 2.861 N/A SER 259.A OG GLN 200.A OE1 no hydrogen 2.300 N/A GLN 261.A N PHE 258.A O no hydrogen 3.114 N/A TYR 263.A N SER 279.A O no hydrogen 3.133 N/A THR 264.A N ILE 224.A O no hydrogen 3.003 N/A THR 264.A OG1 GLU 275.A OE2 no hydrogen 3.299 N/A CYS 265.A N ILE 276.A O no hydrogen 2.768 N/A CYS 265.A SG THR 222.A O no hydrogen 3.824 N/A ARG 266.A N THR 222.A O no hydrogen 2.760 N/A ARG 266.A NE GLU 275.A OE1 no hydrogen 3.030 N/A ARG 266.A NH2 GLU 275.A OE1 no hydrogen 3.313 N/A VAL 267.A N VAL 274.A O no hydrogen 2.821 N/A THR 268.A N GLN 220.A O no hydrogen 2.865 N/A THR 268.A OG1 THR 273.A OG1 no hydrogen 2.906 N/A HIS 269.A N TRP 272.A O no hydrogen 2.842 N/A HIS 269.A ND1 HIS 190.A ND1 no hydrogen 2.970 N/A HIS 269.A NE2 PRO 216.A O no hydrogen 2.826 N/A THR 273.A OG1 THR 268.A OG1 no hydrogen 2.906 N/A VAL 274.A N VAL 267.A O no hydrogen 2.812 N/A ILE 276.A N CYS 265.A O no hydrogen 3.089 N/A ILE 278.A N TYR 263.A O no hydrogen 2.845 N/A SER 279.A N TYR 263.A O no hydrogen 3.218 N/A SER 279.A OG GLN 261.A O no hydrogen 2.855 N/A THR 281.A N ASN 262.A OD1 no hydrogen 2.505 N/A