Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3up2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N ASP 9.A OD2 no hydrogen 2.786 N/A ASP 9.A N ALA 6.A O no hydrogen 2.803 N/A PHE 10.A N LEU 7.A O no hydrogen 2.974 N/A GLU 11.A N ARG 28.A O no hydrogen 2.974 N/A GLY 13.A N LEU 26.A O no hydrogen 2.818 N/A LEU 16.A N VAL 24.A O no hydrogen 2.660 N/A ASN 23.A ND2 TYR 25.A OH no hydrogen 3.213 N/A VAL 24.A N GLY 17.A O no hydrogen 3.163 N/A TYR 25.A N LEU 38.A O no hydrogen 2.788 N/A LEU 26.A N ARG 14.A O no hydrogen 2.990 N/A ALA 27.A N LEU 36.A O no hydrogen 2.706 N/A ARG 28.A N GLU 11.A O no hydrogen 2.858 N/A ARG 28.A NE GLU 11.A OE1 no hydrogen 3.335 N/A ARG 28.A NH2 GLU 11.A OE1 no hydrogen 2.605 N/A GLU 29.A N PHE 34.A O no hydrogen 2.842 N/A LYS 30.A N ASP 9.A O no hydrogen 2.788 N/A LYS 30.A NZ GLU 8.A O no hydrogen 2.890 N/A GLN 31.A N GLU 29.A OE2 no hydrogen 2.968 N/A GLN 31.A NE2 GLU 29.A OE1 no hydrogen 3.477 N/A SER 32.A N GLU 29.A OE1 no hydrogen 2.822 N/A SER 32.A OG GLU 29.A OE1 no hydrogen 2.918 N/A LYS 33.A N GLU 29.A O no hydrogen 2.727 N/A PHE 34.A N SER 32.A OG no hydrogen 3.061 N/A LEU 36.A N ALA 27.A O no hydrogen 2.892 N/A ALA 37.A N LEU 87.A O no hydrogen 2.885 N/A LEU 38.A N TYR 25.A O no hydrogen 2.696 N/A LYS 39.A N LEU 85.A O no hydrogen 2.905 N/A VAL 40.A N ASN 23.A O no hydrogen 2.843 N/A LEU 41.A N VAL 83.A O no hydrogen 2.781 N/A PHE 42.A N PHE 21.A O no hydrogen 3.093 N/A LYS 43.A NZ HIS 78.A ND1 no hydrogen 3.302 N/A LYS 43.A NZ ASP 79.A O no hydrogen 2.709 N/A GLU 47.A N LYS 43.A O no hydrogen 2.781 N/A LYS 48.A N ALA 44.A O no hydrogen 3.006 N/A VAL 51.A N LEU 46.A O no hydrogen 2.858 N/A GLU 52.A N GLU 52.A OE2 no hydrogen 3.002 N/A GLN 54.A N VAL 51.A O no hydrogen 2.771 N/A LEU 55.A N VAL 51.A O no hydrogen 3.379 N/A ARG 57.A N HIS 53.A O no hydrogen 3.297 N/A GLU 58.A N GLN 54.A O no hydrogen 2.925 N/A VAL 59.A N LEU 55.A O no hydrogen 2.703 N/A GLU 60.A N ARG 56.A O no hydrogen 2.929 N/A ILE 61.A N ARG 57.A O no hydrogen 2.732 N/A GLN 62.A N GLU 58.A O no hydrogen 2.825 N/A GLN 62.A NE2 LEU 71.A O no hydrogen 2.983 N/A GLN 62.A NE2 ALA 150.A O no hydrogen 2.834 N/A SER 63.A N VAL 59.A O no hydrogen 2.998 N/A SER 63.A OG VAL 59.A O no hydrogen 3.094 N/A SER 63.A OG GLU 60.A O no hydrogen 3.248 N/A SER 63.A OG HIS 64.A ND1 no hydrogen 3.058 N/A HIS 64.A N ILE 61.A O no hydrogen 3.227 N/A HIS 64.A ND1 GLU 60.A O no hydrogen 2.915 N/A HIS 64.A ND1 SER 63.A OG no hydrogen 3.058 N/A LEU 65.A N GLN 62.A O no hydrogen 3.394 N/A ARG 66.A N TYR 123.A OH no hydrogen 2.917 N/A ASN 69.A N HIS 67.A ND1 no hydrogen 2.865 N/A ASN 69.A ND2 LEU 147.A O no hydrogen 2.949 N/A ILE 70.A N HIS 67.A O no hydrogen 3.087 N/A LEU 71.A N ILE 149.A O no hydrogen 2.865 N/A ARG 72.A N GLU 88.A OE1 no hydrogen 2.815 N/A ARG 72.A NH2 LEU 73.A O no hydrogen 3.552 N/A TYR 74.A N ILE 86.A O no hydrogen 2.884 N/A PHE 77.A N TYR 84.A O no hydrogen 3.015 N/A ASP 79.A N ARG 82.A O no hydrogen 3.031 N/A THR 81.A N ASP 79.A OD1 no hydrogen 3.055 N/A THR 81.A OG1 ASP 79.A OD1 no hydrogen 3.559 N/A ARG 82.A N ASP 79.A OD1 no hydrogen 3.041 N/A VAL 83.A N LEU 41.A O no hydrogen 2.705 N/A TYR 84.A N PHE 77.A O no hydrogen 2.671 N/A TYR 84.A OH ASP 79.A OD2 no hydrogen 3.080 N/A LEU 85.A N LYS 39.A O no hydrogen 2.825 N/A ILE 86.A N GLY 75.A O no hydrogen 2.959 N/A LEU 87.A N ALA 37.A O no hydrogen 2.723 N/A GLU 88.A N ARG 72.A O no hydrogen 3.005 N/A LEU 92.A N LEU 141.A O no hydrogen 3.156 N/A VAL 95.A N LEU 139.A O no hydrogen 2.733 N/A TYR 96.A N PRO 136.A O no hydrogen 3.396 N/A ARG 97.A N THR 94.A OG1 no hydrogen 2.836 N/A ARG 97.A NH2 LEU 92.A O no hydrogen 3.492 N/A GLU 98.A N THR 94.A O no hydrogen 3.331 N/A LEU 99.A N VAL 95.A O no hydrogen 2.741 N/A GLN 100.A N TYR 96.A O no hydrogen 2.793 N/A LYS 101.A N ARG 97.A O no hydrogen 2.924 N/A LYS 101.A NZ GLU 98.A OE2 no hydrogen 3.015 N/A LEU 102.A N GLU 98.A O no hydrogen 2.960 N/A PHE 105.A N PHE 199.A O no hydrogen 2.896 N/A GLN 108.A NE2 ASN 263.A OD1 no hydrogen 2.989 N/A ARG 109.A N ASP 106.A OD2 no hydrogen 2.779 N/A ARG 109.A NH1 TYR 113.A OH no hydrogen 3.017 N/A THR 110.A N ASP 106.A O no hydrogen 2.984 N/A THR 110.A OG1 ASP 106.A O no hydrogen 2.873 N/A ALA 111.A N GLU 107.A O no hydrogen 2.850 N/A THR 112.A N GLN 108.A O no hydrogen 3.031 N/A THR 112.A OG1 GLN 108.A O no hydrogen 2.712 N/A THR 112.A OG1 SER 265.A OG no hydrogen 3.394 N/A TYR 113.A N ARG 109.A O no hydrogen 3.008 N/A ILE 114.A N THR 110.A O no hydrogen 2.723 N/A THR 115.A N ALA 111.A O no hydrogen 2.859 N/A THR 115.A OG1 ALA 111.A O no hydrogen 2.968 N/A THR 115.A OG1 SER 264.A OG no hydrogen 2.882 N/A GLU 116.A N THR 112.A O no hydrogen 2.861 N/A LEU 117.A N TYR 113.A O no hydrogen 2.749 N/A ALA 118.A N ILE 114.A O no hydrogen 2.641 N/A ASN 119.A N THR 115.A O no hydrogen 2.860 N/A ALA 120.A N GLU 116.A O no hydrogen 3.011 N/A LEU 121.A N LEU 117.A O no hydrogen 2.861 N/A SER 122.A N ALA 118.A O no hydrogen 2.893 N/A TYR 123.A N ASN 119.A O no hydrogen 3.074 N/A CYS 124.A N ALA 120.A O no hydrogen 3.012 N/A CYS 124.A SG ALA 120.A O no hydrogen 3.376 N/A HIS 125.A N LEU 121.A O no hydrogen 2.738 N/A HIS 125.A NE2 ASP 188.A OD1 no hydrogen 2.895 N/A SER 126.A N SER 122.A O no hydrogen 2.969 N/A SER 126.A N TYR 123.A O no hydrogen 3.101 N/A SER 126.A OG TYR 123.A O no hydrogen 2.636 N/A LYS 127.A N CYS 124.A O no hydrogen 3.054 N/A ARG 128.A N HIS 125.A O no hydrogen 2.929 N/A ARG 128.A NE ALA 158.A O no hydrogen 3.149 N/A VAL 129.A N CYS 124.A O no hydrogen 2.968 N/A ILE 130.A N VAL 156.A O no hydrogen 2.915 N/A HIS 131.A N ASP 188.A OD1 no hydrogen 2.862 N/A HIS 131.A NE2 ASP 151.A O no hydrogen 2.709 N/A ARG 132.A N ASP 188.A OD2 no hydrogen 2.782 N/A ARG 132.A NE TRP 154.A O no hydrogen 3.051 N/A ARG 132.A NH1 HIS 183.A NE2 no hydrogen 3.344 N/A ARG 132.A NH2 TRP 154.A O no hydrogen 3.105 N/A ARG 132.A NH2 ASP 164.A OD2 no hydrogen 3.095 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 3.052 N/A ASN 138.A N LYS 135.A O no hydrogen 2.703 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.666 N/A ASN 138.A ND2 ASP 133.A OD2 no hydrogen 2.906 N/A LEU 139.A N PRO 136.A O no hydrogen 3.136 N/A LEU 140.A N LYS 148.A O no hydrogen 2.756 N/A GLY 142.A N GLU 146.A O no hydrogen 2.802 N/A GLY 145.A N GLY 142.A O no hydrogen 2.786 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.621 N/A LEU 147.A N GLU 116.A OE1 no hydrogen 2.784 N/A LYS 148.A N LEU 140.A O no hydrogen 2.792 N/A LYS 148.A NZ PRO 68.A O no hydrogen 2.739 N/A LYS 148.A NZ GLU 88.A OE2 no hydrogen 2.953 N/A ILE 149.A N ASN 69.A O no hydrogen 2.860 N/A ALA 150.A N ASN 138.A O no hydrogen 2.989 N/A GLY 153.A N ASP 151.A OD2 no hydrogen 2.676 N/A SER 155.A N PHE 152.A O no hydrogen 3.121 N/A SER 155.A OG PHE 152.A O no hydrogen 2.902 N/A VAL 156.A N ILE 130.A O no hydrogen 3.060 N/A ALA 158.A N ARG 128.A O no hydrogen 3.116 N/A SER 160.A N HIS 183.A O no hydrogen 3.007 N/A CYS 167.A SG THR 165.A O no hydrogen 3.458 N/A THR 169.A OG1 ASP 171.A OD2 no hydrogen 2.766 N/A ASP 171.A N THR 169.A OG1 no hydrogen 3.090 N/A TYR 172.A OH GLU 198.A OE1 no hydrogen 2.475 N/A TYR 172.A OH GLU 198.A OE2 no hydrogen 3.316 N/A LEU 173.A N LEU 170.A O no hydrogen 2.921 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.815 N/A MET 177.A N PRO 174.A O no hydrogen 3.031 N/A ILE 178.A N PRO 174.A O no hydrogen 3.229 N/A GLU 179.A N PRO 175.A O no hydrogen 3.064 N/A GLY 180.A N MET 177.A O no hydrogen 3.017 N/A ARG 181.A N GLU 176.A O no hydrogen 2.921 N/A ARG 181.A NE GLU 179.A OE2 no hydrogen 2.859 N/A ARG 181.A NH2 GLU 179.A OE2 no hydrogen 2.787 N/A HIS 183.A N SER 160.A O no hydrogen 2.891 N/A HIS 183.A ND1 ARG 181.A O no hydrogen 3.122 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.792 N/A LYS 186.A N ASP 184.A OD1 no hydrogen 2.973 N/A LYS 186.A NZ ARG 248.A O no hydrogen 2.662 N/A LYS 186.A NZ PRO 249.A O no hydrogen 2.879 N/A VAL 187.A N ASP 184.A O no hydrogen 3.182 N/A ASP 188.A N GLU 185.A O no hydrogen 2.961 N/A LEU 189.A N LYS 186.A O no hydrogen 3.055 N/A TRP 190.A N LYS 186.A O no hydrogen 3.148 N/A SER 191.A N VAL 187.A O no hydrogen 3.072 N/A SER 191.A OG TYR 172.A O no hydrogen 2.641 N/A SER 191.A OG VAL 187.A O no hydrogen 3.412 N/A LEU 192.A N ASP 188.A O no hydrogen 3.040 N/A GLY 193.A N LEU 189.A O no hydrogen 3.275 N/A VAL 194.A N TRP 190.A O no hydrogen 2.929 N/A LEU 195.A N SER 191.A O no hydrogen 2.839 N/A CYS 196.A N LEU 192.A O no hydrogen 2.863 N/A TYR 197.A N GLY 193.A O no hydrogen 3.019 N/A TYR 197.A OH THR 224.A O no hydrogen 2.686 N/A GLU 198.A N VAL 194.A O no hydrogen 2.893 N/A PHE 199.A N LEU 195.A O no hydrogen 2.746 N/A LEU 200.A N CYS 196.A O no hydrogen 3.215 N/A VAL 201.A N TYR 197.A O no hydrogen 2.826 N/A GLY 202.A N GLU 198.A O no hydrogen 2.694 N/A LYS 203.A NZ GLY 202.A O no hydrogen 3.501 N/A GLU 207.A N PRO 204.A O no hydrogen 3.286 N/A ASN 209.A N GLU 213.A OE2 no hydrogen 3.405 N/A GLN 212.A N GLN 212.A OE1 no hydrogen 2.903 N/A GLU 213.A N THR 210.A OG1 no hydrogen 2.935 N/A THR 214.A N THR 210.A O no hydrogen 3.111 N/A THR 214.A OG1 THR 210.A O no hydrogen 3.275 N/A TYR 215.A N TYR 211.A O no hydrogen 2.868 N/A LYS 216.A N GLN 212.A O no hydrogen 3.367 N/A ARG 217.A N GLU 213.A O no hydrogen 2.967 N/A ARG 217.A NH1 PRO 205.A O no hydrogen 3.175 N/A ILE 218.A N THR 214.A O no hydrogen 2.949 N/A SER 219.A N TYR 215.A O no hydrogen 3.086 N/A SER 219.A OG TYR 215.A O no hydrogen 3.493 N/A SER 219.A OG LYS 216.A O no hydrogen 3.279 N/A ARG 220.A N LYS 216.A O no hydrogen 3.003 N/A VAL 221.A N ILE 218.A O no hydrogen 2.809 N/A GLU 222.A N ARG 217.A O no hydrogen 2.884 N/A VAL 229.A N PRO 226.A O no hydrogen 3.177 N/A THR 230.A OG1 GLU 107.A OE2 no hydrogen 2.558 N/A ARG 234.A N THR 230.A O no hydrogen 2.837 N/A ARG 234.A NE VAL 229.A O no hydrogen 2.744 N/A ARG 234.A NH2 PRO 226.A O no hydrogen 2.887 N/A ASP 235.A N GLU 231.A O no hydrogen 2.819 N/A LEU 236.A N GLY 232.A O no hydrogen 3.082 N/A ILE 237.A N ALA 233.A O no hydrogen 2.953 N/A SER 238.A N ARG 234.A O no hydrogen 2.897 N/A SER 238.A OG ARG 234.A O no hydrogen 2.929 N/A ARG 239.A N ASP 235.A O no hydrogen 3.011 N/A ARG 239.A NE ASP 235.A OD2 no hydrogen 2.551 N/A LEU 240.A N LEU 236.A O no hydrogen 2.967 N/A LEU 241.A N ILE 237.A O no hydrogen 2.827 N/A LYS 242.A N LEU 240.A O no hydrogen 2.851 N/A SER 246.A N ASN 244.A OD1 no hydrogen 2.860 N/A SER 246.A OG ASN 244.A OD1 no hydrogen 3.028 N/A GLN 247.A N ASN 244.A O no hydrogen 2.844 N/A ARG 248.A N PRO 245.A O no hydrogen 3.168 N/A ARG 248.A NE LYS 242.A O no hydrogen 2.920 N/A ARG 248.A NH1 GLU 176.A OE2 no hydrogen 2.811 N/A ARG 248.A NH1 LYS 186.A O no hydrogen 2.931 N/A ARG 248.A NH2 GLU 176.A OE1 no hydrogen 2.838 N/A ARG 248.A NH2 GLU 176.A OE2 no hydrogen 3.454 N/A ARG 248.A NH2 LYS 242.A O no hydrogen 3.038 N/A MET 250.A N GLU 253.A OE2 no hydrogen 2.974 N/A VAL 254.A N MET 250.A O no hydrogen 3.165 N/A LEU 255.A N LEU 251.A O no hydrogen 2.860 N/A GLU 256.A N ARG 252.A O no hydrogen 2.853 N/A HIS 257.A N VAL 254.A O no hydrogen 3.016 N/A HIS 257.A NE2 ASP 235.A OD2 no hydrogen 2.913 N/A TRP 259.A N HIS 257.A ND1 no hydrogen 3.026 N/A TRP 259.A NE1 GLU 107.A OE2 no hydrogen 2.746 N/A THR 261.A N HIS 257.A O no hydrogen 2.801 N/A THR 261.A OG1 HIS 257.A O no hydrogen 3.354 N/A THR 261.A OG1 PRO 258.A O no hydrogen 3.107 N/A ALA 262.A N PRO 258.A O no hydrogen 2.869 N/A ASN 263.A N ILE 260.A O no hydrogen 3.163 N/A ASN 263.A ND2 TRP 259.A O no hydrogen 2.830 N/A SER 264.A N ILE 260.A O no hydrogen 2.729 N/A SER 264.A OG THR 115.A OG1 no hydrogen 2.882 N/A SER 265.A N THR 112.A OG1 no hydrogen 3.193 N/A SER 265.A OG THR 112.A OG1 no hydrogen 3.394 N/A LYS 266.A N SER 264.A OG no hydrogen 3.294 N/A LYS 266.A NZ GLU 116.A OE2 no hydrogen 3.179 N/A