Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6sze_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG ALA 1.A O no hydrogen 3.579 N/A ILE 9.A N ILE 75.A O no hydrogen 2.665 N/A TYR 11.A N GLU 78.A OE2 no hydrogen 2.869 N/A LYS 13.A N PRO 10.A O no hydrogen 2.733 N/A LYS 13.A NZ ASP 35.A OD1 no hydrogen 3.035 N/A LYS 13.A NZ ASP 35.A OD2 no hydrogen 3.059 N/A LEU 14.A N TYR 11.A O no hydrogen 3.087 N/A ALA 15.A N ARG 32.A O no hydrogen 2.965 N/A ARG 18.A N SER 30.A O no hydrogen 3.060 N/A LEU 20.A N VAL 28.A O no hydrogen 2.914 N/A SER 21.A N VAL 28.A O no hydrogen 3.013 N/A GLY 23.A N GLY 26.A O no hydrogen 3.036 N/A THR 27.A N HIS 44.A O no hydrogen 2.744 N/A VAL 28.A N SER 21.A O no hydrogen 2.633 N/A SER 29.A N VAL 42.A O no hydrogen 2.787 N/A SER 29.A OG HIS 44.A NE2 no hydrogen 2.941 N/A SER 30.A N ARG 18.A O no hydrogen 2.810 N/A SER 30.A OG ARG 18.A O no hydrogen 3.535 N/A ALA 31.A N VAL 40.A O no hydrogen 3.111 N/A ARG 32.A N ALA 15.A O no hydrogen 2.925 N/A ARG 32.A NE ASP 16.A OD2 no hydrogen 2.717 N/A HIS 33.A N VAL 38.A O no hydrogen 2.977 N/A ALA 34.A N LYS 13.A O no hydrogen 2.724 N/A ASP 35.A N HIS 33.A ND1 no hydrogen 3.114 N/A TRP 36.A N HIS 33.A ND1 no hydrogen 2.972 N/A ARG 37.A N HIS 33.A O no hydrogen 3.057 N/A ARG 37.A NH2 ALA 34.A O no hydrogen 3.163 N/A VAL 40.A N ALA 31.A O no hydrogen 2.869 N/A ALA 41.A N THR 86.A O no hydrogen 2.971 N/A VAL 42.A N SER 29.A O no hydrogen 2.729 N/A LYS 43.A N ILE 84.A O no hydrogen 2.961 N/A LYS 43.A NZ GLU 57.A OE1 no hydrogen 3.075 N/A LYS 43.A NZ GLU 57.A OE2 no hydrogen 2.821 N/A LYS 43.A NZ ASP 155.A OD1 no hydrogen 2.764 N/A HIS 44.A N THR 27.A O no hydrogen 2.896 N/A HIS 44.A NE2 SER 29.A OG no hydrogen 2.941 N/A VAL 54.A N GLU 50.A O no hydrogen 3.372 N/A LEU 55.A N ARG 51.A O no hydrogen 3.155 N/A ARG 56.A N LYS 52.A O no hydrogen 3.053 N/A ARG 56.A NH2 GLY 157.A O no hydrogen 3.474 N/A GLU 57.A N ASP 53.A O no hydrogen 3.110 N/A ALA 58.A N VAL 54.A O no hydrogen 3.165 N/A GLU 59.A N LEU 55.A O no hydrogen 3.009 N/A ILE 60.A N ARG 56.A O no hydrogen 3.092 N/A LEU 61.A N GLU 57.A O no hydrogen 2.895 N/A HIS 62.A N ALA 58.A O no hydrogen 3.044 N/A HIS 62.A NE2 SER 4.A O no hydrogen 3.150 N/A LYS 63.A N GLU 59.A O no hydrogen 2.898 N/A LYS 63.A NZ GLU 59.A OE2 no hydrogen 2.858 N/A ALA 64.A N ILE 60.A O no hydrogen 2.847 N/A ARG 65.A NH1 HIS 62.A ND1 no hydrogen 2.974 N/A ARG 65.A NH1 ILE 72.A O no hydrogen 3.274 N/A ARG 65.A NH2 ILE 72.A O no hydrogen 2.804 N/A ILE 69.A N PHE 66.A O no hydrogen 3.041 N/A LEU 70.A N ILE 153.A O no hydrogen 3.047 N/A LEU 73.A N VAL 85.A O no hydrogen 2.705 N/A GLY 74.A N VAL 85.A O no hydrogen 3.094 N/A ILE 75.A N PRO 7.A O no hydrogen 3.014 N/A CYS 76.A N GLY 83.A O no hydrogen 2.883 N/A CYS 76.A SG ILE 9.A O no hydrogen 3.139 N/A GLU 78.A N PHE 81.A O no hydrogen 2.993 N/A GLY 83.A N CYS 76.A O no hydrogen 3.180 N/A ILE 84.A N LYS 43.A O no hydrogen 2.991 N/A VAL 85.A N GLY 74.A O no hydrogen 2.829 N/A THR 86.A N ALA 41.A O no hydrogen 2.859 N/A THR 86.A OG1 GLU 87.A O no hydrogen 2.986 N/A GLU 87.A N PRO 71.A O no hydrogen 3.155 N/A ASN 91.A N LEU 145.A O no hydrogen 3.204 N/A ASN 91.A ND2 ASP 146.A O no hydrogen 2.724 N/A GLY 92.A N MET 89.A O no hydrogen 3.259 N/A SER 93.A N GLU 96.A OE1 no hydrogen 2.907 N/A SER 93.A OG GLU 96.A OE1 no hydrogen 3.483 N/A LEU 94.A N ILE 143.A O no hydrogen 2.764 N/A ASN 95.A N THR 140.A O no hydrogen 3.021 N/A LEU 97.A N SER 93.A O no hydrogen 3.363 N/A LEU 98.A N LEU 94.A O no hydrogen 2.993 N/A HIS 99.A N ASN 95.A O no hydrogen 3.049 N/A HIS 99.A NE2 GLU 185.A OE2 no hydrogen 2.801 N/A ARG 100.A N GLU 96.A O no hydrogen 2.943 N/A LYS 101.A NZ ARG 189.A O no hydrogen 2.944 N/A TYR 104.A N ARG 100.A O no hydrogen 2.872 N/A ARG 112.A N ALA 108.A O no hydrogen 3.366 N/A ARG 112.A NE VAL 107.A O no hydrogen 2.798 N/A ARG 112.A NH1 VAL 186.A O no hydrogen 2.739 N/A ARG 112.A NH2 VAL 107.A O no hydrogen 3.440 N/A PHE 113.A N TRP 109.A O no hydrogen 3.025 N/A ARG 114.A N PRO 110.A O no hydrogen 3.086 N/A ARG 114.A NH2 GLU 148.A O no hydrogen 2.786 N/A ARG 114.A NH2 PHE 149.A O no hydrogen 2.895 N/A ILE 115.A N LEU 111.A O no hydrogen 2.875 N/A LEU 116.A N ARG 112.A O no hydrogen 2.944 N/A HIS 117.A N PHE 113.A O no hydrogen 2.824 N/A GLU 118.A N ARG 114.A O no hydrogen 2.885 N/A ILE 119.A N ILE 115.A O no hydrogen 2.967 N/A ALA 120.A N LEU 116.A O no hydrogen 3.133 N/A LEU 121.A N HIS 117.A O no hydrogen 2.829 N/A GLY 122.A N GLU 118.A O no hydrogen 2.765 N/A VAL 123.A N ILE 119.A O no hydrogen 2.933 N/A ASN 124.A N ALA 120.A O no hydrogen 2.773 N/A TYR 125.A N LEU 121.A O no hydrogen 3.105 N/A LEU 126.A N GLY 122.A O no hydrogen 3.279 N/A HIS 127.A N VAL 123.A O no hydrogen 3.014 N/A HIS 127.A NE2 ASP 175.A OD2 no hydrogen 2.916 N/A ASN 128.A N TYR 125.A O no hydrogen 2.967 N/A ASN 128.A ND2 ASN 124.A O no hydrogen 2.800 N/A MET 129.A N LEU 126.A O no hydrogen 3.161 N/A LEU 133.A N LEU 126.A O no hydrogen 3.084 N/A HIS 135.A N ASP 175.A OD2 no hydrogen 2.914 N/A HIS 136.A N ASP 175.A OD1 no hydrogen 2.688 N/A HIS 136.A NE2 SER 171.A O no hydrogen 3.134 N/A ASP 137.A N HIS 135.A ND1 no hydrogen 3.173 N/A THR 140.A OG1 TYR 163.A OH no hydrogen 2.921 N/A THR 140.A OG1 GLU 185.A OE2 no hydrogen 3.108 N/A GLN 141.A N GLN 141.A OE1 no hydrogen 2.685 N/A ASN 142.A N LYS 139.A O no hydrogen 2.958 N/A LEU 144.A N LYS 152.A O no hydrogen 2.863 N/A LEU 145.A N GLY 92.A O no hydrogen 2.668 N/A ASP 146.A N HIS 150.A O no hydrogen 3.009 N/A ASN 147.A ND2 GLU 148.A OE2 no hydrogen 3.052 N/A GLU 148.A N ASP 146.A OD1 no hydrogen 2.916 N/A PHE 149.A N ASP 146.A O no hydrogen 3.197 N/A HIS 150.A N ASP 146.A OD1 no hydrogen 2.960 N/A HIS 150.A ND1 GLU 118.A OE2 no hydrogen 2.601 N/A VAL 151.A N GLU 118.A OE1 no hydrogen 2.692 N/A LYS 152.A N LEU 144.A O no hydrogen 2.844 N/A LYS 152.A NZ SER 67.A O no hydrogen 3.331 N/A ILE 153.A N TYR 68.A O no hydrogen 2.788 N/A ALA 154.A N ASN 142.A O no hydrogen 3.191 N/A GLY 157.A N HIS 135.A O no hydrogen 3.029 N/A TYR 163.A OH GLU 185.A OE1 no hydrogen 2.457 N/A TYR 163.A OH GLU 185.A OE2 no hydrogen 3.355 N/A MET 164.A N ILE 161.A O no hydrogen 3.193 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 2.831 N/A ASN 168.A N PRO 165.A O no hydrogen 2.929 N/A TYR 169.A N PRO 166.A O no hydrogen 3.277 N/A LYS 173.A NZ PRO 241.A O no hydrogen 3.113 N/A LYS 173.A NZ ARG 244.A O no hydrogen 2.674 N/A HIS 174.A N SER 171.A O no hydrogen 3.328 N/A TYR 177.A N HIS 174.A O no hydrogen 2.888 N/A SER 178.A N HIS 174.A O no hydrogen 3.371 N/A SER 178.A OG TYR 163.A O no hydrogen 2.593 N/A TYR 179.A N ASP 175.A O no hydrogen 2.845 N/A TYR 179.A OH LEU 116.A O no hydrogen 2.808 N/A ALA 180.A N ILE 176.A O no hydrogen 2.918 N/A VAL 181.A N TYR 177.A O no hydrogen 3.081 N/A ILE 182.A N SER 178.A O no hydrogen 2.849 N/A THR 183.A N TYR 179.A O no hydrogen 2.891 N/A THR 183.A OG1 TYR 179.A O no hydrogen 2.753 N/A TRP 184.A N ALA 180.A O no hydrogen 3.088 N/A TRP 184.A NE1 VAL 213.A O no hydrogen 2.817 N/A GLU 185.A N VAL 181.A O no hydrogen 2.894 N/A VAL 186.A N ILE 182.A O no hydrogen 2.735 N/A LEU 187.A N THR 183.A O no hydrogen 2.933 N/A SER 188.A N TRP 184.A O no hydrogen 3.124 N/A SER 188.A N GLU 185.A O no hydrogen 3.364 N/A SER 188.A OG TRP 184.A O no hydrogen 2.577 N/A SER 188.A OG GLU 185.A O no hydrogen 3.522 N/A ARG 189.A N GLU 185.A O no hydrogen 2.779 N/A ARG 189.A NE LEU 98.A O no hydrogen 2.849 N/A ARG 189.A NH1 TYR 104.A O no hydrogen 2.968 N/A ARG 189.A NH1 PRO 105.A O no hydrogen 3.300 N/A ARG 189.A NH2 LEU 98.A O no hydrogen 3.314 N/A ARG 189.A NH2 TYR 104.A O no hydrogen 2.794 N/A LYS 190.A N SER 188.A OG no hydrogen 3.321 N/A VAL 196.A N PHE 193.A O no hydrogen 3.453 N/A THR 197.A OG1 GLN 201.A OE1 no hydrogen 3.000 N/A ASN 198.A N GLN 201.A OE1 no hydrogen 3.228 N/A LEU 200.A N ASN 198.A OD1 no hydrogen 3.205 N/A GLN 201.A N ASN 198.A O no hydrogen 2.841 N/A MET 203.A N PRO 199.A O no hydrogen 3.096 N/A TYR 204.A N LEU 200.A O no hydrogen 2.976 N/A SER 205.A N GLN 201.A O no hydrogen 2.893 N/A SER 205.A OG GLN 201.A O no hydrogen 2.714 N/A VAL 206.A N ILE 202.A O no hydrogen 2.679 N/A SER 207.A N MET 203.A O no hydrogen 3.179 N/A SER 207.A OG MET 203.A O no hydrogen 3.148 N/A SER 207.A OG TYR 204.A O no hydrogen 2.763 N/A GLN 208.A N TYR 204.A O no hydrogen 3.170 N/A GLN 208.A N SER 205.A O no hydrogen 3.059 N/A GLY 209.A N VAL 206.A O no hydrogen 2.886 N/A HIS 210.A N SER 205.A O no hydrogen 3.028 N/A ARG 211.A NE TRP 237.A O no hydrogen 2.709 N/A ARG 211.A NH1 VAL 206.A O no hydrogen 2.903 N/A ARG 211.A NH1 HIS 210.A O no hydrogen 2.863 N/A ARG 211.A NH1 GLN 239.A OE1 no hydrogen 3.445 N/A ARG 211.A NH2 TRP 237.A O no hydrogen 2.969 N/A ARG 211.A NH2 GLN 239.A OE1 no hydrogen 2.935 N/A ASN 215.A N SER 218.A OG no hydrogen 3.182 N/A GLU 217.A N ASN 215.A OD1 no hydrogen 2.973 N/A SER 218.A N ASN 215.A OD1 no hydrogen 3.172 N/A SER 218.A OG VAL 213.A O no hydrogen 2.760 N/A SER 218.A OG ASN 215.A O no hydrogen 3.310 N/A SER 218.A OG ASN 215.A OD1 no hydrogen 3.391 N/A LEU 219.A N ASN 215.A O no hydrogen 2.863 N/A ILE 223.A N PRO 220.A O no hydrogen 3.147 N/A HIS 225.A NE2 THR 260.A OG1 no hydrogen 3.257 N/A ARG 226.A N ILE 223.A O no hydrogen 3.180 N/A ARG 226.A NE LEU 219.A O no hydrogen 2.646 N/A ARG 226.A NH1 LEU 219.A O no hydrogen 3.047 N/A MET 229.A N HIS 225.A O no hydrogen 2.916 N/A ILE 230.A N ARG 226.A O no hydrogen 2.990 N/A SER 231.A N ALA 227.A O no hydrogen 3.152 N/A SER 231.A OG ALA 227.A O no hydrogen 3.309 N/A LEU 232.A N ARG 228.A O no hydrogen 3.295 N/A ILE 233.A N MET 229.A O no hydrogen 2.802 N/A GLU 234.A N ILE 230.A O no hydrogen 2.805 N/A SER 235.A N SER 231.A O no hydrogen 2.870 N/A SER 235.A OG SER 231.A O no hydrogen 2.842 N/A SER 235.A OG LEU 232.A O no hydrogen 3.256 N/A GLY 236.A N LEU 232.A O no hydrogen 2.907 N/A TRP 237.A N ILE 233.A O no hydrogen 2.985 N/A GLN 239.A NE2 SER 207.A O no hydrogen 3.248 N/A ASN 240.A ND2 GLU 243.A OE2 no hydrogen 3.397 N/A GLU 243.A N ASN 240.A O no hydrogen 3.080 N/A ARG 244.A N PRO 241.A O no hydrogen 2.870 N/A ARG 244.A NE ALA 238.A O no hydrogen 2.718 N/A ARG 244.A NH1 GLU 167.A OE2 no hydrogen 2.828 N/A ARG 244.A NH1 LYS 173.A O no hydrogen 2.905 N/A ARG 244.A NH2 GLU 167.A OE1 no hydrogen 2.875 N/A ARG 244.A NH2 GLU 167.A OE2 no hydrogen 3.336 N/A ARG 244.A NH2 ALA 238.A O no hydrogen 3.020 N/A LYS 249.A N SER 246.A OG no hydrogen 3.181 N/A LYS 249.A NZ GLU 253.A OE2 no hydrogen 3.106 N/A CYS 250.A N SER 246.A O no hydrogen 3.053 N/A LEU 251.A N PHE 247.A O no hydrogen 2.759 N/A ILE 252.A N LEU 248.A O no hydrogen 2.943 N/A GLU 253.A N LYS 249.A O no hydrogen 3.003 N/A LEU 254.A N CYS 250.A O no hydrogen 3.101 N/A GLU 255.A N LEU 251.A O no hydrogen 2.865 N/A LEU 258.A N LEU 254.A O no hydrogen 2.949 N/A ARG 259.A N GLU 255.A O no hydrogen 3.089 N/A THR 260.A N VAL 257.A O no hydrogen 3.092 N/A THR 260.A OG1 HIS 225.A NE2 no hydrogen 3.257 N/A THR 260.A OG1 VAL 257.A O no hydrogen 2.966 N/A PHE 261.A N LEU 258.A O no hydrogen 3.388 N/A THR 265.A N GLU 262.A O no hydrogen 2.878 N/A THR 265.A OG1 GLU 262.A O no hydrogen 2.651 N/A GLU 268.A N ILE 264.A O no hydrogen 3.006 N/A ALA 269.A N THR 265.A O no hydrogen 3.085 N/A VAL 270.A N PHE 266.A O no hydrogen 2.979 N/A ILE 271.A N LEU 267.A O no hydrogen 2.987 N/A GLN 272.A N GLU 268.A O no hydrogen 3.408 N/A LEU 273.A N VAL 270.A O no hydrogen 3.077 N/A