Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nnn_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A OG1 GLY 3.A O no hydrogen 2.495 N/A SER 8.A N ARG 12.A O no hydrogen 2.612 N/A SER 8.A OG GLU 10.A OE2 no hydrogen 3.534 N/A SER 8.A OG ARG 12.A O no hydrogen 3.393 N/A GLU 10.A N SER 8.A OG no hydrogen 3.118 N/A GLY 11.A N SER 8.A O no hydrogen 3.130 N/A ARG 12.A N SER 8.A OG no hydrogen 3.253 N/A PHE 14.A N THR 6.A O no hydrogen 3.327 N/A GLU 17.A N LEU 13.A O no hydrogen 2.984 N/A TYR 18.A N PHE 14.A O no hydrogen 2.901 N/A SER 19.A N GLN 15.A O no hydrogen 3.026 N/A SER 19.A OG GLN 15.A O no hydrogen 3.219 N/A SER 19.A OG VAL 16.A O no hydrogen 2.621 N/A LEU 20.A N VAL 16.A O no hydrogen 3.201 N/A GLU 21.A N TYR 18.A O no hydrogen 2.978 N/A ALA 22.A N TYR 18.A O no hydrogen 3.317 N/A ILE 23.A N SER 19.A O no hydrogen 3.161 N/A LYS 24.A N LEU 20.A O no hydrogen 3.381 N/A LYS 24.A NZ GLU 21.A OE1 no hydrogen 3.243 N/A LEU 25.A N ALA 22.A O no hydrogen 3.271 N/A GLY 26.A N ILE 23.A O no hydrogen 2.986 N/A SER 27.A OG GLU 43.A O no hydrogen 3.150 N/A THR 28.A N GLU 43.A OE2 no hydrogen 3.165 N/A THR 28.A OG1 GLU 43.A OE2 no hydrogen 3.531 N/A ALA 29.A N ILE 157.A O no hydrogen 2.859 N/A ILE 30.A N GLY 41.A O no hydrogen 2.749 N/A GLY 31.A N LYS 155.A O no hydrogen 2.917 N/A ILE 32.A N VAL 39.A O no hydrogen 2.996 N/A ALA 33.A N ASN 153.A O no hydrogen 2.776 N/A THR 34.A N GLY 37.A O no hydrogen 2.748 N/A THR 34.A OG1 GLY 37.A O no hydrogen 2.508 N/A GLU 36.A N THR 34.A OG1 no hydrogen 3.127 N/A VAL 38.A N ILE 207.A O no hydrogen 3.171 N/A VAL 39.A N ILE 32.A O no hydrogen 2.849 N/A LEU 40.A N SER 205.A O no hydrogen 2.766 N/A GLY 41.A N ILE 30.A O no hydrogen 2.798 N/A VAL 42.A N GLN 203.A O no hydrogen 3.054 N/A GLU 43.A N THR 28.A O no hydrogen 2.842 N/A LYS 44.A N ASN 201.A O no hydrogen 2.765 N/A LYS 44.A NZ SER 53.A O no hydrogen 3.294 N/A ARG 45.A NE GLU 43.A OE1 no hydrogen 3.195 N/A ARG 45.A NH1 LEU 25.A O no hydrogen 3.066 N/A ARG 45.A NH2 GLY 26.A O no hydrogen 3.327 N/A LEU 51.A N SER 48.A O no hydrogen 3.345 N/A SER 53.A OG ASN 200.A O no hydrogen 2.901 N/A SER 55.A N GLU 52.A O no hydrogen 3.098 N/A SER 55.A OG GLU 52.A O no hydrogen 2.720 N/A ILE 56.A N SER 53.A O no hydrogen 2.943 N/A LYS 58.A NZ SER 27.A OG no hydrogen 3.016 N/A LYS 58.A NZ LYS 44.A O no hydrogen 2.936 N/A VAL 60.A N CYS 68.A O no hydrogen 2.673 N/A ILE 62.A N ILE 66.A O no hydrogen 2.949 N/A ASP 63.A N ILE 66.A O no hydrogen 2.997 N/A ARG 64.A N ASP 63.A OD1 no hydrogen 2.718 N/A ARG 64.A NH1 GLN 210.A O no hydrogen 2.961 N/A HIS 65.A NE2 ILE 99.A O no hydrogen 2.755 N/A ILE 66.A N ASP 63.A O no hydrogen 3.138 N/A GLY 67.A N ALA 130.A O no hydrogen 2.759 N/A CYS 68.A N VAL 60.A O no hydrogen 2.740 N/A CYS 68.A SG ALA 69.A O no hydrogen 3.487 N/A CYS 68.A SG LEU 128.A O no hydrogen 3.603 N/A ALA 69.A N LEU 128.A O no hydrogen 2.847 N/A MET 70.A N LYS 58.A O no hydrogen 3.196 N/A SER 71.A N ALA 126.A O no hydrogen 3.077 N/A SER 71.A OG SER 27.A O no hydrogen 2.695 N/A LEU 73.A N GLY 124.A O no hydrogen 2.706 N/A ASP 76.A N LEU 73.A O no hydrogen 3.047 N/A ALA 77.A N THR 74.A O no hydrogen 3.020 N/A ARG 78.A NH2 GLU 57.A O no hydrogen 3.294 N/A ILE 81.A N ALA 77.A O no hydrogen 2.815 N/A GLU 82.A N ARG 78.A O no hydrogen 2.875 N/A HIS 83.A N SER 79.A O no hydrogen 2.978 N/A HIS 83.A NE2 SER 107.A OG no hydrogen 3.132 N/A ALA 84.A N MET 80.A O no hydrogen 2.954 N/A ARG 85.A N ILE 81.A O no hydrogen 2.876 N/A ARG 85.A NE GLU 61.A O no hydrogen 2.820 N/A ARG 85.A NH2 GLU 61.A O no hydrogen 2.964 N/A THR 86.A N GLU 82.A O no hydrogen 3.210 N/A THR 86.A OG1 GLU 82.A O no hydrogen 2.761 N/A ALA 87.A N HIS 83.A O no hydrogen 2.746 N/A ALA 88.A N ALA 84.A O no hydrogen 2.953 N/A VAL 89.A N ARG 85.A O no hydrogen 2.944 N/A THR 90.A N THR 86.A O no hydrogen 2.763 N/A THR 90.A OG1 THR 86.A O no hydrogen 2.445 N/A HIS 91.A N ALA 87.A O no hydrogen 3.085 N/A HIS 91.A NE2 GLU 97.A OE1 no hydrogen 3.060 N/A ASN 92.A N ALA 88.A O no hydrogen 3.228 N/A ASN 92.A ND2 GLU 97.A O no hydrogen 3.238 N/A LEU 93.A N VAL 89.A O no hydrogen 2.942 N/A TYR 94.A N THR 90.A O no hydrogen 2.887 N/A TYR 95.A N HIS 91.A O no hydrogen 2.932 N/A ASP 96.A N ASN 92.A O no hydrogen 2.887 N/A ASN 100.A ND2 ASP 135.A OD1 no hydrogen 3.278 N/A VAL 101.A N ASP 133.A OD2 no hydrogen 3.102 N/A LEU 104.A N ASN 100.A O no hydrogen 2.921 N/A THR 105.A N VAL 101.A O no hydrogen 2.956 N/A THR 105.A OG1 VAL 101.A O no hydrogen 2.615 N/A GLN 106.A N GLU 102.A O no hydrogen 2.871 N/A SER 107.A N SER 103.A O no hydrogen 2.989 N/A SER 107.A OG HIS 83.A NE2 no hydrogen 3.132 N/A VAL 108.A N LEU 104.A O no hydrogen 3.034 N/A CYS 109.A N THR 105.A O no hydrogen 3.032 N/A CYS 109.A SG THR 105.A O no hydrogen 3.279 N/A ASP 110.A N GLN 106.A O no hydrogen 3.111 N/A ASP 110.A N SER 107.A O no hydrogen 3.187 N/A LEU 111.A N VAL 108.A O no hydrogen 3.156 N/A ALA 112.A N CYS 109.A O no hydrogen 3.318 N/A ARG 114.A N LEU 111.A O no hydrogen 2.965 N/A PHE 115.A N LEU 113.A O no hydrogen 2.710 N/A GLY 116.A N MET 119.A O no hydrogen 3.144 N/A MET 119.A N ARG 114.A O no hydrogen 3.098 N/A ARG 121.A NH1 ASP 76.A OD2 no hydrogen 2.717 N/A ARG 121.A NH1 PRO 122.A O no hydrogen 2.995 N/A ARG 121.A NH2 ASP 76.A OD1 no hydrogen 3.004 N/A ARG 121.A NH2 ASP 76.A OD2 no hydrogen 3.382 N/A GLY 124.A N ASP 76.A OD2 no hydrogen 2.808 N/A ALA 126.A N SER 71.A O no hydrogen 2.930 N/A LEU 127.A N ALA 143.A O no hydrogen 3.001 N/A LEU 128.A N ALA 69.A O no hydrogen 2.817 N/A ILE 129.A N PHE 141.A O no hydrogen 2.733 N/A ALA 130.A N GLY 67.A O no hydrogen 2.910 N/A GLY 131.A N GLN 139.A O no hydrogen 3.046 N/A HIS 132.A N HIS 65.A O no hydrogen 2.996 N/A ASP 133.A N GLY 137.A O no hydrogen 3.434 N/A ASP 136.A N ASP 133.A OD1 no hydrogen 2.809 N/A GLY 137.A N ASP 133.A O no hydrogen 2.942 N/A GLN 139.A N GLY 131.A O no hydrogen 2.939 N/A PHE 141.A N ILE 129.A O no hydrogen 2.694 N/A HIS 142.A N TYR 150.A O no hydrogen 2.994 N/A ALA 143.A N LEU 127.A O no hydrogen 2.774 N/A GLU 144.A N THR 148.A O no hydrogen 3.063 N/A SER 146.A OG THR 148.A OG1 no hydrogen 3.277 N/A GLY 147.A N GLU 144.A O no hydrogen 3.015 N/A THR 148.A N SER 146.A OG no hydrogen 3.309 N/A THR 148.A OG1 SER 146.A OG no hydrogen 3.277 N/A TYR 150.A N HIS 142.A O no hydrogen 3.241 N/A TYR 152.A N LEU 140.A O no hydrogen 2.810 N/A LYS 155.A N GLY 31.A O no hydrogen 2.862 N/A LYS 155.A NZ TYR 152.A OH no hydrogen 3.563 N/A ALA 156.A N GLN 165.A OE1 no hydrogen 3.067 N/A ILE 157.A N ALA 29.A O no hydrogen 2.848 N/A SER 159.A N GLY 26.A O no hydrogen 3.066 N/A SER 159.A OG GLY 26.A O no hydrogen 3.182 N/A GLY 160.A N THR 28.A OG1 no hydrogen 3.347 N/A SER 161.A N GLY 158.A O no hydrogen 3.152 N/A SER 161.A OG GLY 158.A O no hydrogen 2.933 N/A ALA 164.A N GLY 160.A O no hydrogen 2.939 N/A GLN 165.A N SER 161.A O no hydrogen 2.583 N/A GLN 165.A NE2 ALA 154.A O no hydrogen 3.676 N/A ALA 166.A N GLU 162.A O no hydrogen 3.291 N/A GLU 167.A N GLY 163.A O no hydrogen 3.185 N/A LEU 168.A N ALA 164.A O no hydrogen 2.909 N/A LEU 169.A N GLN 165.A O no hydrogen 2.922 N/A ASN 170.A N GLU 167.A O no hydrogen 3.102 N/A GLU 171.A N GLU 167.A O no hydrogen 3.081 N/A TRP 172.A N LEU 168.A O no hydrogen 3.232 N/A TRP 172.A NE1 ALA 33.A O no hydrogen 3.077 N/A SER 175.A N HIS 173.A ND1 no hydrogen 3.297 N/A LEU 178.A N GLU 36.A OE1 no hydrogen 3.085 N/A GLU 180.A N THR 177.A OG1 no hydrogen 3.165 N/A ALA 181.A N THR 177.A O no hydrogen 2.941 N/A GLU 182.A N LEU 178.A O no hydrogen 2.894 N/A LEU 183.A N LYS 179.A O no hydrogen 3.158 N/A LEU 184.A N GLU 180.A O no hydrogen 3.111 N/A VAL 185.A N ALA 181.A O no hydrogen 2.987 N/A LEU 186.A N GLU 182.A O no hydrogen 3.216 N/A LYS 187.A N LEU 183.A O no hydrogen 2.871 N/A LYS 187.A NZ GLU 171.A OE1 no hydrogen 2.727 N/A LYS 187.A NZ GLN 191.A OE1 no hydrogen 3.379 N/A ILE 188.A N LEU 184.A O no hydrogen 2.982 N/A LEU 189.A N VAL 185.A O no hydrogen 2.883 N/A LYS 190.A N LEU 186.A O no hydrogen 2.899 N/A LYS 190.A NZ GLU 232.A OE2 no hydrogen 3.371 N/A GLN 191.A N LYS 187.A O no hydrogen 3.136 N/A GLN 191.A NE2 GLU 167.A OE2 no hydrogen 3.211 N/A VAL 192.A N ILE 188.A O no hydrogen 3.228 N/A MET 193.A N LEU 189.A O no hydrogen 2.901 N/A ASP 198.A N ASN 201.A OD1 no hydrogen 2.817 N/A GLU 199.A N GLU 199.A OE2 no hydrogen 2.816 N/A ASN 200.A N ASP 198.A OD1 no hydrogen 2.877 N/A ASN 201.A N ASP 198.A OD1 no hydrogen 3.018 N/A ASN 201.A ND2 LYS 196.A O no hydrogen 2.841 N/A GLN 203.A N VAL 42.A O no hydrogen 3.084 N/A SER 205.A OG LEU 40.A O no hydrogen 2.898 N/A CYS 206.A N LYS 214.A O no hydrogen 3.050 N/A CYS 206.A SG TYR 216.A OH no hydrogen 3.129 N/A ILE 207.A N VAL 38.A O no hydrogen 2.952 N/A THR 208.A N GLY 212.A O no hydrogen 3.147 N/A LYS 209.A N TYR 138.A OH no hydrogen 2.670 N/A ASP 211.A N THR 208.A OG1 no hydrogen 3.208 N/A GLY 212.A N THR 208.A O no hydrogen 2.741 N/A PHE 213.A N ARG 64.A O no hydrogen 2.792 N/A LYS 214.A N CYS 206.A O no hydrogen 2.856 N/A TYR 216.A N LEU 204.A O no hydrogen 2.943 N/A TYR 216.A OH GLU 182.A OE1 no hydrogen 2.896 N/A THR 221.A N ASP 217.A O no hydrogen 3.212 N/A THR 221.A OG1 ASP 217.A O no hydrogen 3.313 N/A ALA 222.A N ASN 218.A O no hydrogen 3.161 N/A GLU 223.A N GLU 219.A O no hydrogen 3.377 N/A LEU 224.A N LYS 220.A O no hydrogen 3.334 N/A ILE 225.A N THR 221.A O no hydrogen 2.860 N/A LYS 226.A N ALA 222.A O no hydrogen 2.994 N/A GLU 227.A N GLU 223.A O no hydrogen 2.873 N/A LEU 228.A N LEU 224.A O no hydrogen 3.032 N/A LYS 229.A N ILE 225.A O no hydrogen 3.078 N/A GLU 230.A N LYS 226.A O no hydrogen 3.134 N/A LYS 231.A N GLU 227.A O no hydrogen 3.225 N/A LYS 231.A NZ GLU 227.A OE2 no hydrogen 3.400 N/A GLU 232.A N LEU 228.A O no hydrogen 3.105 N/A ALA 233.A N LYS 229.A O no hydrogen 3.263 N/A ALA 234.A N LYS 231.A O no hydrogen 3.271 N/A