Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5drd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 6.A OD2 no hydrogen 2.582 N/A ASP 6.A N ALA 3.A O no hydrogen 3.021 N/A PHE 7.A N LEU 4.A O no hydrogen 3.110 N/A GLU 8.A N ARG 25.A O no hydrogen 2.855 N/A GLY 10.A N LEU 23.A O no hydrogen 2.865 N/A LEU 13.A N VAL 21.A O no hydrogen 2.724 N/A GLY 14.A N VAL 21.A O no hydrogen 3.301 N/A GLY 16.A N GLY 19.A O no hydrogen 2.620 N/A ASN 20.A N VAL 37.A O no hydrogen 3.106 N/A ASN 20.A ND2 VAL 37.A O no hydrogen 3.125 N/A VAL 21.A N GLY 14.A O no hydrogen 2.915 N/A TYR 22.A N LEU 35.A O no hydrogen 2.880 N/A LEU 23.A N ARG 11.A O no hydrogen 2.661 N/A ALA 24.A N LEU 33.A O no hydrogen 2.928 N/A ARG 25.A N GLU 8.A O no hydrogen 2.870 N/A ARG 25.A NH2 GLU 8.A OE1 no hydrogen 2.909 N/A GLU 26.A N PHE 31.A O no hydrogen 2.927 N/A LYS 27.A N ASP 6.A O no hydrogen 2.903 N/A LYS 27.A NZ GLU 5.A O no hydrogen 2.756 N/A GLN 28.A N GLU 26.A OE2 no hydrogen 3.161 N/A SER 29.A N GLU 26.A OE1 no hydrogen 2.921 N/A SER 29.A OG GLU 26.A OE1 no hydrogen 2.816 N/A LYS 30.A N GLU 26.A O no hydrogen 2.603 N/A PHE 31.A N SER 29.A OG no hydrogen 3.290 N/A LEU 33.A N ALA 24.A O no hydrogen 2.851 N/A ALA 34.A N LEU 84.A O no hydrogen 3.022 N/A LEU 35.A N TYR 22.A O no hydrogen 2.829 N/A LYS 36.A N LEU 82.A O no hydrogen 2.767 N/A LYS 36.A NZ GLU 55.A OE1 no hydrogen 3.308 N/A LYS 36.A NZ GLU 55.A OE2 no hydrogen 2.712 N/A VAL 37.A N ASN 20.A O no hydrogen 2.932 N/A LEU 38.A N VAL 80.A O no hydrogen 2.721 N/A LYS 40.A N THR 78.A O no hydrogen 3.235 N/A LYS 40.A NZ HIS 75.A ND1 no hydrogen 3.238 N/A LYS 40.A NZ ASP 76.A O no hydrogen 2.331 N/A LEU 43.A N PHE 39.A O no hydrogen 2.971 N/A GLU 44.A N LYS 40.A O no hydrogen 2.726 N/A LYS 45.A N ALA 41.A O no hydrogen 2.654 N/A ALA 46.A N GLN 42.A O no hydrogen 2.883 N/A GLY 47.A N LEU 43.A O no hydrogen 2.793 N/A GLY 47.A N GLU 44.A O no hydrogen 2.855 N/A VAL 48.A N LEU 43.A O no hydrogen 3.097 N/A LEU 52.A N VAL 48.A O no hydrogen 3.220 N/A ARG 53.A N GLU 49.A O no hydrogen 3.202 N/A ARG 54.A N HIS 50.A O no hydrogen 2.955 N/A GLU 55.A N GLN 51.A O no hydrogen 2.859 N/A VAL 56.A N LEU 52.A O no hydrogen 2.959 N/A GLU 57.A N ARG 53.A O no hydrogen 2.725 N/A ILE 58.A N ARG 54.A O no hydrogen 2.663 N/A GLN 59.A N GLU 55.A O no hydrogen 2.968 N/A GLN 59.A NE2 LEU 68.A O no hydrogen 2.982 N/A SER 60.A N VAL 56.A O no hydrogen 2.948 N/A SER 60.A OG VAL 56.A O no hydrogen 2.570 N/A SER 60.A OG GLU 57.A O no hydrogen 2.928 N/A SER 60.A OG HIS 61.A ND1 no hydrogen 3.017 N/A HIS 61.A N ILE 58.A O no hydrogen 3.228 N/A HIS 61.A ND1 GLU 57.A O no hydrogen 2.836 N/A LEU 62.A N ILE 58.A O no hydrogen 3.112 N/A ARG 63.A N TYR 120.A OH no hydrogen 3.039 N/A ARG 63.A NE LEU 62.A O no hydrogen 2.776 N/A ARG 63.A NH2 SER 60.A O no hydrogen 2.697 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 3.304 N/A ASN 66.A ND2 GLU 113.A OE2 no hydrogen 3.398 N/A ASN 66.A ND2 LEU 144.A O no hydrogen 2.891 N/A ILE 67.A N HIS 64.A O no hydrogen 3.184 N/A LEU 68.A N ILE 146.A O no hydrogen 2.950 N/A ARG 69.A N GLU 85.A OE1 no hydrogen 2.760 N/A ARG 69.A NH2 LEU 70.A O no hydrogen 3.448 N/A TYR 71.A N ILE 83.A O no hydrogen 2.842 N/A GLY 72.A N ILE 83.A O no hydrogen 3.426 N/A PHE 74.A N TYR 81.A O no hydrogen 3.185 N/A ASP 76.A N ARG 79.A O no hydrogen 2.774 N/A ARG 79.A NE TYR 81.A OH no hydrogen 2.579 N/A ARG 79.A NH2 ASP 76.A OD2 no hydrogen 3.143 N/A VAL 80.A N LEU 38.A O no hydrogen 2.654 N/A TYR 81.A N PHE 74.A O no hydrogen 2.909 N/A TYR 81.A OH ASP 76.A OD2 no hydrogen 3.157 N/A LEU 82.A N LYS 36.A O no hydrogen 2.713 N/A ILE 83.A N GLY 72.A O no hydrogen 2.976 N/A LEU 84.A N ALA 34.A O no hydrogen 2.810 N/A GLU 85.A N ARG 69.A O no hydrogen 2.862 N/A LEU 89.A N LEU 138.A O no hydrogen 3.093 N/A GLY 90.A N ALA 87.A O no hydrogen 3.490 N/A VAL 92.A N LEU 136.A O no hydrogen 2.858 N/A TYR 93.A N PRO 133.A O no hydrogen 3.233 N/A ARG 94.A N THR 91.A OG1 no hydrogen 2.900 N/A GLU 95.A N THR 91.A O no hydrogen 3.130 N/A LEU 96.A N VAL 92.A O no hydrogen 3.040 N/A GLN 97.A N TYR 93.A O no hydrogen 3.013 N/A LYS 98.A N ARG 94.A O no hydrogen 2.981 N/A LEU 99.A N GLU 95.A O no hydrogen 2.787 N/A SER 100.A N LEU 96.A O no hydrogen 2.605 N/A LYS 101.A N LEU 99.A O no hydrogen 2.917 N/A LYS 101.A NZ VAL 193.A O no hydrogen 3.446 N/A PHE 102.A N PHE 191.A O no hydrogen 2.825 N/A ARG 106.A N ASP 103.A OD1 no hydrogen 2.761 N/A THR 107.A N ASP 103.A O no hydrogen 3.090 N/A THR 107.A OG1 ASP 103.A O no hydrogen 2.712 N/A ALA 108.A N GLU 104.A O no hydrogen 2.887 N/A THR 109.A N GLN 105.A O no hydrogen 2.876 N/A THR 109.A OG1 GLN 105.A O no hydrogen 2.428 N/A THR 109.A OG1 SER 257.A OG no hydrogen 3.366 N/A TYR 110.A N ARG 106.A O no hydrogen 2.896 N/A ILE 111.A N THR 107.A O no hydrogen 2.908 N/A THR 112.A N ALA 108.A O no hydrogen 2.920 N/A THR 112.A OG1 ALA 108.A O no hydrogen 2.715 N/A THR 112.A OG1 SER 256.A OG no hydrogen 2.757 N/A GLU 113.A N THR 109.A O no hydrogen 3.026 N/A LEU 114.A N TYR 110.A O no hydrogen 2.781 N/A ALA 115.A N ILE 111.A O no hydrogen 2.767 N/A ASN 116.A N THR 112.A O no hydrogen 2.934 N/A ALA 117.A N GLU 113.A O no hydrogen 3.062 N/A LEU 118.A N LEU 114.A O no hydrogen 2.726 N/A SER 119.A N ALA 115.A O no hydrogen 2.968 N/A TYR 120.A N ASN 116.A O no hydrogen 2.964 N/A CYS 121.A N ALA 117.A O no hydrogen 3.083 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.354 N/A HIS 122.A N LEU 118.A O no hydrogen 2.878 N/A HIS 122.A NE2 ASP 180.A OD2 no hydrogen 2.774 N/A SER 123.A N SER 119.A O no hydrogen 2.913 N/A SER 123.A OG TYR 120.A O no hydrogen 2.659 N/A LYS 124.A N CYS 121.A O no hydrogen 2.923 N/A ARG 125.A N HIS 122.A O no hydrogen 2.863 N/A ARG 125.A NH1 ALA 155.A O no hydrogen 3.070 N/A VAL 126.A N CYS 121.A O no hydrogen 2.995 N/A ILE 127.A N VAL 153.A O no hydrogen 3.075 N/A HIS 128.A N ASP 180.A OD2 no hydrogen 3.119 N/A HIS 128.A NE2 ALA 147.A O no hydrogen 2.631 N/A ARG 129.A N ASP 180.A OD1 no hydrogen 3.142 N/A ARG 129.A NE TRP 151.A O no hydrogen 2.729 N/A ARG 129.A NH1 HIS 175.A NE2 no hydrogen 3.072 N/A ARG 129.A NH2 TRP 151.A O no hydrogen 2.861 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.304 N/A LYS 132.A NZ ASP 130.A OD1 no hydrogen 3.064 N/A ASN 135.A N LYS 132.A O no hydrogen 2.829 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 3.241 N/A LEU 136.A N PRO 133.A O no hydrogen 3.254 N/A LEU 137.A N LYS 145.A O no hydrogen 2.795 N/A LEU 138.A N GLY 90.A O no hydrogen 2.827 N/A GLY 139.A N GLU 143.A O no hydrogen 2.774 N/A GLY 142.A N GLY 139.A O no hydrogen 2.873 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.737 N/A LEU 144.A N GLU 113.A OE1 no hydrogen 3.240 N/A LYS 145.A N LEU 137.A O no hydrogen 2.672 N/A LYS 145.A NZ PRO 65.A O no hydrogen 2.612 N/A LYS 145.A NZ GLU 85.A OE2 no hydrogen 3.168 N/A ILE 146.A N ASN 66.A O no hydrogen 2.885 N/A ALA 147.A N ASN 135.A O no hydrogen 2.870 N/A SER 152.A N PHE 149.A O no hydrogen 2.945 N/A SER 152.A OG PHE 149.A O no hydrogen 2.417 N/A VAL 153.A N ILE 127.A O no hydrogen 3.009 N/A ALA 155.A N ARG 125.A O no hydrogen 3.057 N/A SER 157.A N HIS 175.A O no hydrogen 3.005 N/A THR 161.A OG1 ASP 163.A OD2 no hydrogen 2.995 N/A TYR 164.A OH GLU 190.A OE1 no hydrogen 2.452 N/A TYR 164.A OH GLU 190.A OE2 no hydrogen 3.289 N/A LEU 165.A N LEU 162.A O no hydrogen 2.937 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.827 N/A MET 169.A N PRO 166.A O no hydrogen 2.960 N/A ILE 170.A N PRO 166.A O no hydrogen 3.158 N/A GLU 171.A N PRO 167.A O no hydrogen 3.111 N/A GLY 172.A N MET 169.A O no hydrogen 3.020 N/A ARG 173.A NH2 GLU 171.A OE1 no hydrogen 2.559 N/A HIS 175.A N SER 157.A O no hydrogen 2.979 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.941 N/A LYS 178.A N ASP 176.A OD1 no hydrogen 3.357 N/A LYS 178.A NZ ARG 240.A O no hydrogen 2.475 N/A VAL 179.A N ASP 176.A O no hydrogen 3.103 N/A ASP 180.A N GLU 177.A O no hydrogen 3.031 N/A TRP 182.A N LYS 178.A O no hydrogen 3.265 N/A SER 183.A N VAL 179.A O no hydrogen 3.127 N/A SER 183.A OG TYR 164.A O no hydrogen 2.705 N/A SER 183.A OG VAL 179.A O no hydrogen 3.286 N/A LEU 184.A N ASP 180.A O no hydrogen 3.105 N/A GLY 185.A N LEU 181.A O no hydrogen 3.201 N/A VAL 186.A N TRP 182.A O no hydrogen 2.980 N/A LEU 187.A N SER 183.A O no hydrogen 2.871 N/A CYS 188.A N LEU 184.A O no hydrogen 2.838 N/A TYR 189.A N GLY 185.A O no hydrogen 3.109 N/A TYR 189.A OH THR 216.A O no hydrogen 2.713 N/A GLU 190.A N VAL 186.A O no hydrogen 2.908 N/A PHE 191.A N LEU 187.A O no hydrogen 2.758 N/A LEU 192.A N CYS 188.A O no hydrogen 3.308 N/A VAL 193.A N TYR 189.A O no hydrogen 2.833 N/A GLY 194.A N GLU 190.A O no hydrogen 2.691 N/A GLU 199.A N PRO 196.A O no hydrogen 3.162 N/A GLN 204.A N GLN 204.A OE1 no hydrogen 2.813 N/A GLU 205.A N THR 202.A OG1 no hydrogen 2.723 N/A THR 206.A N THR 202.A O no hydrogen 2.898 N/A THR 206.A OG1 THR 202.A O no hydrogen 3.013 N/A TYR 207.A N TYR 203.A O no hydrogen 2.892 N/A LYS 208.A N GLN 204.A O no hydrogen 3.054 N/A ARG 209.A N GLU 205.A O no hydrogen 2.980 N/A ARG 209.A NE GLU 214.A O no hydrogen 3.032 N/A ARG 209.A NH1 GLU 205.A OE2 no hydrogen 3.373 N/A ARG 209.A NH2 GLU 214.A O no hydrogen 3.470 N/A ILE 210.A N THR 206.A O no hydrogen 2.811 N/A SER 211.A N TYR 207.A O no hydrogen 3.039 N/A SER 211.A OG TYR 207.A O no hydrogen 2.707 N/A SER 211.A OG LYS 208.A O no hydrogen 2.782 N/A ARG 212.A N LYS 208.A O no hydrogen 2.828 N/A VAL 213.A N ILE 210.A O no hydrogen 2.861 N/A GLU 214.A N ARG 209.A O no hydrogen 2.849 N/A VAL 221.A N PRO 218.A O no hydrogen 3.216 N/A THR 222.A OG1 GLU 104.A OE2 no hydrogen 2.595 N/A ARG 226.A N THR 222.A O no hydrogen 2.856 N/A ARG 226.A NE VAL 221.A O no hydrogen 2.963 N/A ARG 226.A NH2 ASP 219.A O no hydrogen 3.459 N/A ARG 226.A NH2 VAL 221.A O no hydrogen 3.270 N/A ASP 227.A N GLU 223.A O no hydrogen 2.949 N/A LEU 228.A N GLY 224.A O no hydrogen 3.211 N/A ILE 229.A N ALA 225.A O no hydrogen 2.886 N/A SER 230.A N ARG 226.A O no hydrogen 2.928 N/A SER 230.A OG ARG 226.A O no hydrogen 3.049 N/A ARG 231.A N ASP 227.A O no hydrogen 3.352 N/A ARG 231.A NE ASP 227.A OD2 no hydrogen 3.032 N/A LEU 232.A N LEU 228.A O no hydrogen 3.164 N/A LEU 232.A N ILE 229.A O no hydrogen 2.818 N/A LEU 233.A N ILE 229.A O no hydrogen 2.874 N/A SER 238.A N ASN 236.A OD1 no hydrogen 3.298 N/A SER 238.A OG ASN 236.A OD1 no hydrogen 2.776 N/A GLN 239.A N ASN 236.A O no hydrogen 3.038 N/A ARG 240.A N PRO 237.A O no hydrogen 3.009 N/A ARG 240.A NE LYS 234.A O no hydrogen 2.790 N/A ARG 240.A NH1 GLU 168.A OE2 no hydrogen 2.664 N/A ARG 240.A NH1 LYS 178.A O no hydrogen 2.931 N/A ARG 240.A NH2 GLU 168.A OE1 no hydrogen 2.983 N/A ARG 240.A NH2 LYS 234.A O no hydrogen 2.906 N/A MET 242.A N GLU 245.A OE2 no hydrogen 3.125 N/A VAL 246.A N MET 242.A O no hydrogen 3.211 N/A LEU 247.A N LEU 243.A O no hydrogen 2.885 N/A GLU 248.A N ARG 244.A O no hydrogen 3.062 N/A HIS 249.A N VAL 246.A O no hydrogen 3.075 N/A HIS 249.A NE2 ASP 227.A OD2 no hydrogen 2.580 N/A TRP 251.A N HIS 249.A ND1 no hydrogen 3.283 N/A TRP 251.A NE1 GLU 104.A OE2 no hydrogen 2.991 N/A THR 253.A N HIS 249.A O no hydrogen 2.925 N/A THR 253.A OG1 HIS 249.A O no hydrogen 3.356 N/A THR 253.A OG1 PRO 250.A O no hydrogen 2.734 N/A ALA 254.A N PRO 250.A O no hydrogen 2.755 N/A ASN 255.A N TRP 251.A O no hydrogen 3.179 N/A ASN 255.A N ILE 252.A O no hydrogen 3.281 N/A ASN 255.A ND2 TRP 251.A O no hydrogen 2.756 N/A SER 256.A N ILE 252.A O no hydrogen 2.859 N/A SER 256.A OG ALA 108.A O no hydrogen 3.504 N/A SER 256.A OG THR 112.A OG1 no hydrogen 2.757 N/A SER 256.A OG SER 257.A O no hydrogen 3.255 N/A SER 257.A OG THR 109.A OG1 no hydrogen 3.366 N/A