Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rut_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLN 6.A OE1 no hydrogen 3.469 N/A GLN 7.A N THR 3.A O no hydrogen 3.022 N/A THR 8.A N PRO 4.A O no hydrogen 3.217 N/A LEU 10.A N GLN 6.A O no hydrogen 3.045 N/A PHE 12.A N THR 8.A O no hydrogen 3.298 N/A ILE 13.A N LEU 9.A O no hydrogen 3.318 N/A MET 14.A N LEU 10.A O no hydrogen 2.685 N/A ASP 15.A N HIS 11.A O no hydrogen 3.233 N/A SER 16.A N PHE 12.A O no hydrogen 3.259 N/A SER 16.A OG PHE 12.A O no hydrogen 3.090 N/A TYR 17.A N ILE 13.A O no hydrogen 2.836 N/A TYR 17.A OH GLU 91.A OE2 no hydrogen 2.495 N/A ASN 18.A N ASP 15.A O no hydrogen 3.315 N/A LYS 19.A N SER 16.A O no hydrogen 3.241 N/A ILE 26.A N PRO 23.A O no hydrogen 3.156 N/A THR 27.A N PRO 23.A O no hydrogen 3.123 N/A THR 27.A OG1 GLN 24.A O no hydrogen 3.365 N/A ASN 28.A N GLN 24.A O no hydrogen 2.787 N/A LYS 29.A N ILE 26.A O no hydrogen 3.128 N/A LYS 29.A NZ GLU 46.A OE1 no hydrogen 3.256 N/A ILE 30.A N THR 27.A O no hydrogen 3.131 N/A LEU 31.A N ASN 28.A O no hydrogen 2.777 N/A LYS 32.A N ASN 28.A O no hydrogen 3.280 N/A GLU 33.A N LYS 29.A O no hydrogen 3.358 N/A GLU 39.A N SER 36.A OG no hydrogen 3.304 N/A ASN 40.A N SER 36.A O no hydrogen 2.734 N/A ASN 40.A ND2 ASN 111.A O no hydrogen 2.874 N/A PHE 41.A N ALA 37.A O no hydrogen 3.344 N/A LEU 42.A N GLU 38.A O no hydrogen 3.070 N/A ILE 43.A N GLU 39.A O no hydrogen 3.066 N/A LEU 44.A N ASN 40.A O no hydrogen 3.120 N/A THR 45.A N PHE 41.A O no hydrogen 2.956 N/A THR 45.A OG1 PHE 41.A O no hydrogen 2.784 N/A GLU 46.A N LEU 42.A O no hydrogen 2.815 N/A MET 47.A N ILE 43.A O no hydrogen 2.852 N/A ALA 48.A N LEU 44.A O no hydrogen 3.035 N/A THR 49.A N THR 45.A O no hydrogen 3.032 N/A THR 49.A OG1 THR 219.A OG1 no hydrogen 3.097 N/A ASN 50.A N GLU 46.A O no hydrogen 3.254 N/A ASN 50.A ND2 GLU 46.A O no hydrogen 2.568 N/A HIS 51.A N MET 47.A O no hydrogen 2.866 N/A VAL 52.A N ALA 48.A O no hydrogen 2.865 N/A VAL 54.A N ASN 50.A O no hydrogen 3.143 N/A LEU 55.A N HIS 51.A O no hydrogen 2.749 N/A VAL 56.A N VAL 52.A O no hydrogen 3.149 N/A GLU 57.A N GLN 53.A O no hydrogen 3.109 N/A PHE 58.A N VAL 54.A O no hydrogen 2.962 N/A THR 59.A N LEU 55.A O no hydrogen 2.711 N/A THR 59.A OG1 LEU 55.A O no hydrogen 2.784 N/A LYS 60.A N VAL 56.A O no hydrogen 3.193 N/A LYS 61.A N GLU 57.A O no hydrogen 3.137 N/A LEU 62.A N THR 59.A O no hydrogen 3.259 N/A PHE 65.A N LEU 62.A O no hydrogen 3.229 N/A THR 67.A N GLY 64.A O no hydrogen 3.319 N/A LEU 68.A N PHE 65.A O no hydrogen 3.310 N/A GLU 71.A N ASP 69.A OD1 no hydrogen 3.429 N/A GLN 73.A N ASP 69.A O no hydrogen 2.968 N/A ALA 75.A N GLU 71.A O no hydrogen 3.500 N/A LEU 76.A N ASP 72.A O no hydrogen 3.209 N/A LEU 77.A N GLN 73.A O no hydrogen 3.431 N/A LYS 78.A N ILE 74.A O no hydrogen 2.794 N/A LYS 78.A NZ ASP 227.A OD1 no hydrogen 2.583 N/A LYS 78.A NZ ASP 227.A OD2 no hydrogen 2.939 N/A GLY 79.A N ALA 75.A O no hydrogen 3.005 N/A SER 80.A N LEU 76.A O no hydrogen 2.956 N/A SER 80.A OG LEU 76.A O no hydrogen 2.779 N/A ALA 81.A N LEU 77.A O no hydrogen 3.070 N/A ALA 84.A N SER 80.A O no hydrogen 2.801 N/A MET 85.A N ALA 81.A O no hydrogen 2.997 N/A PHE 86.A N VAL 82.A O no hydrogen 3.012 N/A LEU 87.A N GLU 83.A O no hydrogen 3.137 N/A ARG 88.A N ALA 84.A O no hydrogen 3.086 N/A ARG 88.A NH1 GLU 91.A OE2 no hydrogen 2.864 N/A SER 89.A N MET 85.A O no hydrogen 3.042 N/A SER 89.A OG MET 85.A O no hydrogen 3.172 N/A SER 89.A OG PHE 86.A O no hydrogen 2.979 N/A SER 89.A OG TYR 126.A OH no hydrogen 2.488 N/A ALA 90.A N PHE 86.A O no hydrogen 2.953 N/A GLU 91.A N LEU 87.A O no hydrogen 3.007 N/A ILE 92.A N ARG 88.A O no hydrogen 3.037 N/A PHE 93.A N SER 89.A O no hydrogen 3.060 N/A ASN 94.A N ALA 90.A O no hydrogen 2.877 N/A ASN 94.A ND2 TYR 126.A O no hydrogen 3.041 N/A LYS 95.A N GLU 91.A O no hydrogen 3.091 N/A LYS 95.A NZ GLU 91.A OE1 no hydrogen 3.059 N/A LEU 97.A N ILE 92.A O no hydrogen 3.252 N/A GLY 100.A N LEU 97.A O no hydrogen 3.030 N/A LEU 105.A N HIS 101.A O no hydrogen 2.888 N/A GLU 106.A N SER 102.A O no hydrogen 2.870 N/A GLU 107.A N ASP 103.A O no hydrogen 3.012 N/A ARG 108.A N LEU 104.A O no hydrogen 3.018 N/A ARG 108.A NE ILE 30.A O no hydrogen 2.997 N/A ARG 108.A NH1 GLU 34.A O no hydrogen 2.945 N/A ARG 108.A NH2 ILE 30.A O no hydrogen 2.911 N/A ARG 108.A NH2 GLU 33.A O no hydrogen 2.968 N/A ILE 109.A N LEU 105.A O no hydrogen 3.159 N/A ARG 110.A N GLU 106.A O no hydrogen 2.955 N/A ARG 110.A NE GLU 106.A OE2 no hydrogen 2.990 N/A ASN 111.A N GLU 107.A O no hydrogen 3.181 N/A ASN 111.A N ARG 108.A O no hydrogen 3.225 N/A SER 112.A OG ARG 108.A O no hydrogen 3.303 N/A SER 112.A OG ILE 109.A O no hydrogen 2.931 N/A SER 115.A OG GLU 117.A OE2.A no hydrogen 2.688 N/A GLU 117.A N SER 115.A OG no hydrogen 3.186 N/A TYR 118.A N SER 115.A O no hydrogen 3.322 N/A ILE 119.A N SER 115.A O no hydrogen 3.181 N/A THR 120.A N ASP 116.A O no hydrogen 3.035 N/A THR 120.A OG1 ASP 116.A O no hydrogen 3.216 N/A MET 122.A N TYR 118.A O no hydrogen 3.246 N/A PHE 123.A N ILE 119.A O no hydrogen 3.087 N/A SER 124.A N THR 120.A O no hydrogen 2.937 N/A PHE 125.A N PRO 121.A O no hydrogen 2.765 N/A TYR 126.A N MET 122.A O no hydrogen 2.961 N/A TYR 126.A OH SER 89.A OG no hydrogen 2.488 N/A LYS 127.A N PHE 123.A O no hydrogen 2.755 N/A SER 128.A N SER 124.A O no hydrogen 3.035 N/A SER 128.A OG SER 124.A O no hydrogen 3.477 N/A SER 128.A OG PHE 125.A O no hydrogen 3.177 N/A ILE 129.A N PHE 125.A O no hydrogen 2.906 N/A GLY 130.A N TYR 126.A O no hydrogen 3.250 N/A GLU 131.A N SER 128.A O no hydrogen 3.156 N/A LEU 132.A N ILE 129.A O no hydrogen 3.305 N/A LYS 133.A N GLY 130.A O no hydrogen 2.971 N/A THR 135.A N GLU 138.A OE1 no hydrogen 3.029 N/A TYR 139.A N THR 135.A O no hydrogen 3.128 N/A TYR 139.A OH ASN 94.A OD1 no hydrogen 2.988 N/A ALA 140.A N GLN 136.A O no hydrogen 2.989 N/A LEU 141.A N GLU 137.A O no hydrogen 3.107 N/A LEU 142.A N GLU 138.A O no hydrogen 3.249 N/A THR 143.A N TYR 139.A O no hydrogen 3.225 N/A THR 143.A OG1 TYR 139.A O no hydrogen 2.813 N/A ALA 144.A N ALA 140.A O no hydrogen 3.042 N/A ILE 145.A N LEU 141.A O no hydrogen 2.907 N/A VAL 146.A N LEU 142.A O no hydrogen 2.699 N/A ILE 147.A N THR 143.A O no hydrogen 2.803 N/A LEU 148.A N ALA 144.A O no hydrogen 2.908 N/A SER 149.A OG ILE 145.A O no hydrogen 2.904 N/A SER 149.A OG VAL 146.A O no hydrogen 3.061 N/A ARG 152.A NH1 GLU 83.A OE2 no hydrogen 3.004 N/A ARG 152.A NH2 GLU 83.A OE1 no hydrogen 3.162 N/A ARG 152.A NH2 VAL 146.A O no hydrogen 3.057 N/A LYS 156.A N ASP 72.A OD1 no hydrogen 2.896 N/A ASP 157.A N ASP 72.A OD2 no hydrogen 2.958 N/A ARG 158.A NE ILE 155.A O no hydrogen 3.300 N/A ALA 160.A N ASP 157.A OD2 no hydrogen 3.009 N/A GLU 162.A N ARG 158.A O no hydrogen 2.922 N/A LYS 163.A N GLU 159.A O no hydrogen 2.987 N/A LEU 164.A N VAL 161.A O no hydrogen 2.773 N/A GLN 165.A N VAL 161.A O no hydrogen 2.914 N/A GLN 165.A NE2 ILE 145.A O no hydrogen 3.020 N/A GLU 166.A N GLU 162.A O no hydrogen 2.985 N/A LEU 168.A N GLN 165.A O no hydrogen 2.937 N/A LEU 169.A N GLN 165.A O no hydrogen 3.327 N/A ASP 170.A N GLU 166.A O no hydrogen 2.990 N/A VAL 171.A N PRO 167.A O no hydrogen 3.039 N/A LEU 172.A N LEU 168.A O no hydrogen 2.789 N/A GLN 173.A N LEU 169.A O no hydrogen 3.267 N/A LYS 174.A N ASP 170.A O no hydrogen 3.099 N/A LEU 175.A N VAL 171.A O no hydrogen 3.048 N/A CYS 176.A N LEU 172.A O no hydrogen 3.138 N/A CYS 176.A SG LEU 172.A O no hydrogen 3.173 N/A LYS 177.A N GLN 173.A O no hydrogen 2.903 N/A ILE 178.A N LYS 174.A O no hydrogen 2.754 N/A HIS 179.A N LEU 175.A O no hydrogen 2.847 N/A GLN 180.A N CYS 176.A O no hydrogen 2.866 N/A GLN 180.A NE2 HIS 179.A O no hydrogen 3.185 N/A HIS 186.A NE2 GLU 138.A OE2 no hydrogen 2.676 N/A CYS 189.A N GLN 185.A O no hydrogen 3.148 N/A CYS 189.A SG GLN 185.A O no hydrogen 3.687 N/A LEU 190.A N HIS 186.A O no hydrogen 3.047 N/A LEU 191.A N PHE 187.A O no hydrogen 3.028 N/A GLY 192.A N ALA 188.A O no hydrogen 2.844 N/A ARG 193.A N LEU 190.A O no hydrogen 3.389 N/A ARG 193.A NH1 CYS 189.A O no hydrogen 2.917 N/A ARG 193.A NH2 SER 128.A O no hydrogen 3.291 N/A LEU 194.A N LEU 191.A O no hydrogen 3.137 N/A THR 195.A N GLY 192.A O no hydrogen 3.253 N/A GLU 196.A N GLY 192.A O no hydrogen 3.339 N/A LEU 197.A N ARG 193.A O no hydrogen 2.752 N/A ARG 198.A N LEU 194.A O no hydrogen 3.271 N/A THR 199.A N THR 195.A O no hydrogen 3.400 N/A THR 199.A OG1 THR 195.A O no hydrogen 3.322 N/A THR 199.A OG1 GLU 196.A O no hydrogen 3.306 N/A ASN 201.A N LEU 197.A O no hydrogen 3.074 N/A ASN 201.A ND2 GLY 79.A O no hydrogen 2.876 N/A ASN 201.A ND2 GLU 83.A OE2 no hydrogen 2.745 N/A HIS 202.A N ARG 198.A O no hydrogen 3.001 N/A HIS 203.A N THR 199.A O no hydrogen 3.159 N/A HIS 204.A N PHE 200.A O no hydrogen 2.709 N/A HIS 204.A N ASN 201.A O no hydrogen 3.214 N/A GLU 206.A N HIS 203.A O no hydrogen 2.901 N/A LEU 208.A N HIS 204.A O no hydrogen 3.201 N/A MET 209.A N ALA 205.A O no hydrogen 3.128 N/A SER 210.A N GLU 206.A O no hydrogen 3.030 N/A TRP 211.A N MET 207.A O no hydrogen 3.182 N/A TRP 211.A NE1 SER 112.A O no hydrogen 2.865 N/A ARG 212.A N LEU 208.A O no hydrogen 2.794 N/A VAL 213.A N MET 209.A O no hydrogen 2.985 N/A ASN 214.A N TRP 211.A O no hydrogen 2.776 N/A ASN 214.A ND2 SER 210.A O no hydrogen 2.765 N/A ASP 215.A N ARG 212.A O no hydrogen 3.007 N/A THR 219.A OG1 THR 49.A OG1 no hydrogen 3.097 N/A LEU 222.A N THR 219.A OG1 no hydrogen 3.272 N/A CYS 223.A N THR 219.A O no hydrogen 2.973 N/A CYS 223.A SG THR 219.A O no hydrogen 3.250 N/A GLU 224.A N PRO 220.A O no hydrogen 3.112 N/A ILE 225.A N LEU 221.A O no hydrogen 2.957 N/A TRP 226.A N LEU 222.A O no hydrogen 2.991 N/A ASP 227.A N GLU 224.A O no hydrogen 3.412 N/A VAL 228.A N CYS 223.A O no hydrogen 3.028 N/A