Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ree_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N THR 6.A OG1 no hydrogen 2.825 N/A THR 6.A N ALA 2.A O no hydrogen 2.916 N/A THR 6.A OG1 ALA 2.A O no hydrogen 2.480 N/A SER 7.A N ASN 3.A O no hydrogen 3.017 N/A SER 7.A N LEU 4.A O no hydrogen 2.774 N/A SER 7.A OG ASN 3.A O no hydrogen 3.511 N/A LEU 8.A N LEU 4.A O no hydrogen 2.811 N/A VAL 9.A N LEU 5.A O no hydrogen 2.942 N/A ARG 10.A N THR 6.A O no hydrogen 3.233 N/A ALA 11.A N SER 7.A O no hydrogen 3.011 N/A HIS 12.A N LEU 8.A O no hydrogen 2.977 N/A LEU 13.A N VAL 9.A O no hydrogen 2.897 N/A ASP 14.A N ARG 10.A O no hydrogen 2.957 N/A SER 15.A N HIS 12.A O no hydrogen 2.981 N/A SER 15.A OG HIS 12.A O no hydrogen 2.640 N/A LYS 21.A N SER 18.A O no hydrogen 2.805 N/A LYS 21.A NZ SER 18.A OG no hydrogen 2.662 N/A ASP 23.A N GLY 107.A O no hydrogen 2.903 N/A SER 25.A N ASP 23.A OD2 no hydrogen 2.672 N/A SER 25.A OG ASP 23.A OD2 no hydrogen 1.981 N/A PHE 27.A N TYR 24.A O no hydrogen 3.363 N/A GLN 28.A N GLN 114.A OE1 no hydrogen 3.029 N/A HIS 34.A ND1 PHE 35.A O no hydrogen 3.184 N/A ASP 39.A N ASP 42.A OD2 no hydrogen 2.895 N/A ASP 42.A N ASP 39.A OD1 no hydrogen 3.168 N/A VAL 43.A N ASP 39.A O no hydrogen 3.157 N/A GLN 44.A N ALA 40.A O no hydrogen 2.900 N/A GLN 44.A NE2 GLN 44.A O no hydrogen 3.377 N/A GLN 44.A NE2 ASP 48.A OD1 no hydrogen 3.084 N/A GLN 45.A N GLY 41.A O no hydrogen 3.059 N/A PHE 46.A N ASP 42.A O no hydrogen 3.113 N/A TYR 47.A N VAL 43.A O no hydrogen 3.061 N/A ASP 48.A N GLN 44.A O no hydrogen 2.778 N/A LEU 49.A N GLN 45.A O no hydrogen 2.951 N/A LEU 50.A N PHE 46.A O no hydrogen 3.120 N/A SER 51.A N TYR 47.A O no hydrogen 2.894 N/A SER 51.A OG TYR 47.A O no hydrogen 3.302 N/A GLY 52.A N ASP 48.A O no hydrogen 2.771 N/A SER 53.A N LEU 49.A O no hydrogen 3.032 N/A LEU 54.A N LEU 50.A O no hydrogen 2.983 N/A GLU 55.A N SER 51.A O no hydrogen 3.140 N/A VAL 56.A N GLY 52.A O no hydrogen 3.170 N/A ILE 57.A N SER 53.A O no hydrogen 2.841 N/A ARG 58.A N LEU 54.A O no hydrogen 3.006 N/A LYS 59.A N GLU 55.A O no hydrogen 3.121 N/A TRP 60.A N VAL 56.A O no hydrogen 2.971 N/A ALA 61.A N ILE 57.A O no hydrogen 3.006 N/A GLU 62.A N ARG 58.A O no hydrogen 3.048 N/A LYS 63.A N TRP 60.A O no hydrogen 3.094 N/A ILE 64.A N ALA 61.A O no hydrogen 2.870 N/A PHE 67.A N ILE 64.A O no hydrogen 2.866 N/A GLU 69.A N GLY 66.A O no hydrogen 3.397 N/A LEU 70.A N PHE 67.A O no hydrogen 3.037 N/A ASP 74.A N SER 71.A OG no hydrogen 3.001 N/A GLN 75.A N SER 71.A O no hydrogen 3.004 N/A GLN 75.A NE2 LEU 70.A O no hydrogen 2.788 N/A ASP 76.A N PRO 72.A O no hydrogen 3.128 N/A LEU 77.A N ALA 73.A O no hydrogen 3.079 N/A LEU 78.A N ASP 74.A O no hydrogen 2.990 N/A LEU 79.A N GLN 75.A O no hydrogen 3.037 N/A GLU 80.A N ASP 76.A O no hydrogen 2.820 N/A SER 81.A N LEU 77.A O no hydrogen 2.942 N/A SER 81.A OG LEU 77.A O no hydrogen 2.733 N/A ALA 82.A N LEU 78.A O no hydrogen 3.081 N/A LEU 86.A N ALA 82.A O no hydrogen 2.919 N/A PHE 87.A N PHE 83.A O no hydrogen 2.707 N/A ILE 88.A N LEU 84.A O no hydrogen 2.971 N/A LEU 89.A N GLU 85.A O no hydrogen 2.974 N/A ARG 90.A N LEU 86.A O no hydrogen 3.020 N/A ARG 90.A NH1 SER 15.A OG no hydrogen 2.827 N/A ARG 90.A NH2 SER 15.A O no hydrogen 3.080 N/A ARG 90.A NH2 SER 15.A OG no hydrogen 3.342 N/A LEU 91.A N PHE 87.A O no hydrogen 3.035 N/A ALA 92.A N ILE 88.A O no hydrogen 2.816 N/A TYR 93.A N LEU 89.A O no hydrogen 3.003 N/A TYR 93.A OH VAL 138.A O no hydrogen 2.577 N/A ARG 94.A N ARG 90.A O no hydrogen 3.037 N/A ARG 94.A NH1 ILE 103.A O no hydrogen 2.964 N/A SER 95.A OG LEU 91.A O no hydrogen 2.915 N/A SER 95.A OG LYS 101.A O no hydrogen 3.523 N/A LYS 96.A N LYS 101.A O no hydrogen 2.934 N/A GLU 99.A N LYS 96.A O no hydrogen 3.021 N/A GLY 100.A N PRO 97.A O no hydrogen 3.090 N/A LYS 101.A N LYS 96.A O no hydrogen 2.954 N/A LYS 101.A NZ TYR 24.A OH no hydrogen 3.369 N/A LYS 101.A NZ GLU 99.A OE1 no hydrogen 3.152 N/A LEU 102.A N LEU 110.A O no hydrogen 2.889 N/A ILE 103.A N SER 95.A OG no hydrogen 2.965 N/A PHE 104.A N LEU 108.A O no hydrogen 2.887 N/A CYS 105.A SG GLY 52.A O no hydrogen 3.962 N/A GLY 107.A N PHE 104.A O no hydrogen 2.904 N/A LEU 108.A N SER 106.A OG no hydrogen 3.265 N/A VAL 109.A N ASP 23.A O no hydrogen 3.146 N/A LEU 110.A N LEU 102.A O no hydrogen 2.937 N/A HIS 111.A N GLN 114.A OE1 no hydrogen 2.770 N/A ARG 112.A N GLY 100.A O no hydrogen 2.926 N/A GLN 114.A N HIS 111.A O no hydrogen 2.965 N/A GLN 114.A NE2 LYS 26.A O no hydrogen 2.884 N/A CYS 115.A N HIS 111.A O no hydrogen 3.225 N/A CYS 115.A N ARG 112.A O no hydrogen 3.060 N/A CYS 115.A SG HIS 111.A O no hydrogen 3.444 N/A ARG 117.A NE ASP 42.A OD2 no hydrogen 2.858 N/A ARG 117.A NH1 HIS 34.A O no hydrogen 2.740 N/A ARG 117.A NH2 ASP 39.A OD2 no hydrogen 3.383 N/A PHE 119.A N CYS 115.A O no hydrogen 2.981 N/A GLY 120.A N ALA 116.A O no hydrogen 2.841 N/A ASP 124.A N ASP 121.A O no hydrogen 2.930 N/A SER 125.A N ASP 121.A O no hydrogen 3.179 N/A SER 125.A OG GLN 204.A OE1 no hydrogen 3.274 N/A ILE 126.A N TRP 122.A O no hydrogen 2.791 N/A LEU 127.A N ILE 123.A O no hydrogen 2.962 N/A ALA 128.A N ASP 124.A O no hydrogen 3.044 N/A PHE 129.A N SER 125.A O no hydrogen 3.113 N/A SER 130.A N ILE 126.A O no hydrogen 2.936 N/A SER 130.A OG ALA 92.A O no hydrogen 2.626 N/A ARG 131.A N LEU 127.A O no hydrogen 3.098 N/A ARG 131.A NH2 PRO 97.A O no hydrogen 3.351 N/A SER 132.A N ALA 128.A O no hydrogen 3.166 N/A LEU 133.A N PHE 129.A O no hydrogen 2.822 N/A HIS 134.A N SER 130.A O no hydrogen 2.860 N/A HIS 134.A NE2 SER 95.A O no hydrogen 3.072 N/A SER 135.A N ARG 131.A O no hydrogen 3.099 N/A SER 135.A OG SER 132.A O no hydrogen 3.020 N/A LEU 136.A N LEU 133.A O no hydrogen 3.059 N/A LEU 137.A N HIS 134.A O no hydrogen 2.954 N/A ALA 142.A N ASP 139.A OD2 no hydrogen 2.691 N/A PHE 143.A N ASP 139.A O no hydrogen 2.950 N/A ALA 144.A N VAL 140.A O no hydrogen 2.724 N/A CYS 145.A N PRO 141.A O no hydrogen 3.125 N/A CYS 145.A SG PRO 141.A O no hydrogen 3.483 N/A LEU 146.A N ALA 142.A O no hydrogen 2.878 N/A SER 147.A N PHE 143.A O no hydrogen 2.989 N/A SER 147.A OG PHE 143.A O no hydrogen 3.020 N/A SER 147.A OG ALA 144.A O no hydrogen 3.445 N/A LEU 149.A N CYS 145.A O no hydrogen 2.877 N/A VAL 150.A N LEU 146.A O no hydrogen 3.120 N/A VAL 150.A N SER 147.A O no hydrogen 3.161 N/A LEU 151.A N SER 147.A O no hydrogen 3.396 N/A ILE 152.A N ALA 148.A O no hydrogen 2.973 N/A ARG 155.A NH2 GLU 85.A OE1 no hydrogen 3.568 N/A ARG 155.A NH2 VAL 150.A O no hydrogen 3.396 N/A LEU 158.A N ARG 155.A O no hydrogen 3.508 N/A GLN 159.A N ASP 74.A OD1 no hydrogen 2.786 N/A GLU 160.A N ASP 74.A OD2 no hydrogen 2.956 N/A ARG 163.A N GLU 160.A O no hydrogen 3.257 N/A ARG 163.A NH1 GLU 69.A O no hydrogen 2.963 N/A ARG 163.A NH2 GLU 69.A O no hydrogen 3.201 N/A ARG 163.A NH2 GLU 160.A OE1 no hydrogen 2.954 N/A VAL 164.A N PRO 161.A O no hydrogen 3.238 N/A GLU 165.A N PRO 161.A O no hydrogen 2.948 N/A GLU 166.A N ARG 162.A O no hydrogen 2.927 N/A LEU 167.A N ARG 163.A O no hydrogen 3.197 N/A GLN 168.A N VAL 164.A O no hydrogen 2.907 N/A ASN 169.A N GLU 165.A O no hydrogen 2.769 N/A ARG 170.A N GLU 166.A O no hydrogen 2.984 N/A ARG 170.A NE GLU 166.A OE1 no hydrogen 2.858 N/A ARG 170.A NH1 GLU 166.A OE1 no hydrogen 3.459 N/A ILE 171.A N LEU 167.A O no hydrogen 3.001 N/A ALA 172.A N GLN 168.A O no hydrogen 2.909 N/A SER 173.A N ASN 169.A O no hydrogen 3.076 N/A SER 173.A OG ASN 169.A O no hydrogen 3.279 N/A CYS 174.A N ARG 170.A O no hydrogen 3.187 N/A LEU 175.A N ILE 171.A O no hydrogen 3.001 N/A LYS 176.A N ALA 172.A O no hydrogen 2.909 N/A GLU 177.A N SER 173.A O no hydrogen 2.959 N/A HIS 178.A N CYS 174.A O no hydrogen 3.143 N/A HIS 178.A NE2 ASP 139.A OD2 no hydrogen 3.242 N/A VAL 179.A N LEU 175.A O no hydrogen 2.959 N/A ALA 180.A N LYS 176.A O no hydrogen 3.268 N/A ALA 181.A N GLU 177.A O no hydrogen 3.116 N/A VAL 182.A N HIS 178.A O no hydrogen 3.104 N/A ALA 183.A N VAL 179.A O no hydrogen 2.911 N/A GLY 184.A N VAL 182.A O no hydrogen 2.051 N/A SER 189.A N ALA 185.A O no hydrogen 2.510 N/A SER 189.A OG SER 186.A O no hydrogen 2.569 N/A ARG 190.A N SER 186.A O no hydrogen 2.964 N/A LEU 191.A N CYS 187.A O no hydrogen 2.508 N/A LEU 192.A N LEU 188.A O no hydrogen 2.875 N/A GLY 193.A N SER 189.A O no hydrogen 3.220 N/A LYS 194.A N LEU 191.A O no hydrogen 3.059 N/A LEU 195.A N LEU 192.A O no hydrogen 3.052 N/A LEU 198.A N LYS 194.A O no hydrogen 3.068 N/A ARG 199.A N LEU 195.A O no hydrogen 2.813 N/A THR 200.A N PRO 196.A O no hydrogen 3.046 N/A THR 200.A OG1 PRO 196.A O no hydrogen 3.141 N/A LEU 201.A N GLU 197.A O no hydrogen 3.070 N/A CYS 202.A N LEU 198.A O no hydrogen 2.963 N/A CYS 202.A SG LEU 198.A O no hydrogen 3.540 N/A THR 203.A N ARG 199.A O no hydrogen 3.125 N/A THR 203.A OG1 ARG 199.A O no hydrogen 3.181 N/A GLN 204.A N THR 200.A O no hydrogen 2.962 N/A GLY 205.A N LEU 201.A O no hydrogen 3.132 N/A LEU 206.A N CYS 202.A O no hydrogen 3.036 N/A GLN 207.A N THR 203.A O no hydrogen 2.941 N/A ARG 208.A N GLN 204.A O no hydrogen 3.002 N/A ARG 208.A NE GLY 118.A O no hydrogen 2.867 N/A ARG 208.A NH2 GLU 38.A OE2 no hydrogen 3.230 N/A ARG 208.A NH2 GLY 118.A O no hydrogen 2.925 N/A ILE 209.A N GLY 205.A O no hydrogen 2.993 N/A PHE 210.A N LEU 206.A O no hydrogen 2.906 N/A TYR 211.A N GLN 207.A O no hydrogen 3.007 N/A TYR 211.A OH GLU 38.A OE1 no hydrogen 3.009 N/A LEU 212.A N ARG 208.A O no hydrogen 2.963 N/A LYS 213.A N ILE 209.A O no hydrogen 2.825 N/A LYS 213.A NZ ASP 225.A OD1 no hydrogen 2.680 N/A LYS 213.A NZ ASP 225.A OD2 no hydrogen 3.493 N/A LEU 214.A N PHE 210.A O no hydrogen 3.012 N/A GLU 215.A N TYR 211.A O no hydrogen 3.058 N/A ASP 216.A N LEU 212.A O no hydrogen 2.802 N/A ASP 225.A N PRO 221.A O no hydrogen 2.943 N/A LYS 226.A N PRO 222.A O no hydrogen 2.977 N/A LYS 226.A NZ GLU 80.A OE1 no hydrogen 3.484 N/A LYS 226.A NZ GLU 80.A OE2 no hydrogen 3.347 N/A LYS 226.A NZ ASP 230.A OD2 no hydrogen 2.187 N/A ILE 227.A N ILE 223.A O no hydrogen 3.211 N/A PHE 228.A N ILE 224.A O no hydrogen 2.913 N/A MET 229.A N ASP 225.A O no hydrogen 2.963 N/A ASP 230.A N LYS 226.A O no hydrogen 2.633 N/A THR 231.A N ILE 227.A O no hydrogen 2.897 N/A THR 231.A OG1 ILE 227.A O no hydrogen 2.481 N/A LEU 232.A N MET 229.A O no hydrogen 3.049 N/A PHE 234.A N LEU 232.A O no hydrogen 2.383 N/A