Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ruu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLN 6.A OE1 no hydrogen 3.324 N/A GLN 6.A N THR 3.A O no hydrogen 3.314 N/A GLN 7.A N THR 3.A O no hydrogen 2.963 N/A LEU 9.A N ASP 5.A O no hydrogen 3.235 N/A LEU 10.A N GLN 6.A O no hydrogen 2.850 N/A HIS 11.A N GLN 7.A O no hydrogen 3.382 N/A PHE 12.A N THR 8.A O no hydrogen 3.220 N/A ILE 13.A N LEU 9.A O no hydrogen 3.162 N/A MET 14.A N LEU 10.A O no hydrogen 2.774 N/A ASP 15.A N HIS 11.A O no hydrogen 2.948 N/A SER 16.A N PHE 12.A O no hydrogen 3.122 N/A SER 16.A OG PHE 12.A O no hydrogen 2.663 N/A TYR 17.A N ILE 13.A O no hydrogen 2.775 N/A TYR 17.A OH GLU 91.A OE2 no hydrogen 2.493 N/A ASN 18.A N MET 14.A O no hydrogen 2.958 N/A ASN 18.A ND2 MET 14.A O no hydrogen 2.835 N/A LYS 19.A N SER 16.A O no hydrogen 2.825 N/A THR 27.A N PRO 23.A O no hydrogen 3.034 N/A THR 27.A OG1 PRO 23.A O no hydrogen 3.196 N/A THR 27.A OG1 GLN 24.A O no hydrogen 3.266 N/A ASN 28.A N GLN 24.A O no hydrogen 2.824 N/A LYS 29.A N ILE 26.A O no hydrogen 3.048 N/A LYS 29.A NZ GLU 46.A OE1 no hydrogen 3.123 N/A LYS 29.A NZ GLU 46.A OE2 no hydrogen 2.995 N/A ILE 30.A N THR 27.A O no hydrogen 3.271 N/A LEU 31.A N ASN 28.A O no hydrogen 3.115 N/A LYS 32.A N ASN 28.A O no hydrogen 3.057 N/A GLU 33.A N LYS 29.A O no hydrogen 3.093 N/A ASN 40.A N SER 36.A O no hydrogen 2.618 N/A ASN 40.A ND2 ASN 111.A O no hydrogen 2.836 N/A PHE 41.A N ALA 37.A O no hydrogen 3.154 N/A LEU 42.A N GLU 38.A O no hydrogen 3.060 N/A ILE 43.A N GLU 39.A O no hydrogen 3.033 N/A LEU 44.A N ASN 40.A O no hydrogen 3.126 N/A THR 45.A N PHE 41.A O no hydrogen 3.043 N/A THR 45.A OG1 PHE 41.A O no hydrogen 3.055 N/A GLU 46.A N LEU 42.A O no hydrogen 3.025 N/A MET 47.A N ILE 43.A O no hydrogen 2.988 N/A ALA 48.A N LEU 44.A O no hydrogen 2.988 N/A THR 49.A N THR 45.A O no hydrogen 2.953 N/A THR 49.A OG1 THR 219.A OG1 no hydrogen 2.839 N/A ASN 50.A N GLU 46.A O no hydrogen 3.095 N/A ASN 50.A ND2 GLU 46.A O no hydrogen 2.699 N/A HIS 51.A N MET 47.A O no hydrogen 2.714 N/A VAL 52.A N ALA 48.A O no hydrogen 2.922 N/A VAL 54.A N ASN 50.A O no hydrogen 3.117 N/A LEU 55.A N HIS 51.A O no hydrogen 2.753 N/A VAL 56.A N VAL 52.A O no hydrogen 2.973 N/A GLU 57.A N GLN 53.A O no hydrogen 3.034 N/A PHE 58.A N VAL 54.A O no hydrogen 3.024 N/A THR 59.A N LEU 55.A O no hydrogen 2.700 N/A THR 59.A OG1 LEU 55.A O no hydrogen 2.646 N/A LYS 60.A N VAL 56.A O no hydrogen 2.891 N/A LYS 61.A N GLU 57.A O no hydrogen 3.430 N/A LEU 62.A N THR 59.A O no hydrogen 2.801 N/A PHE 65.A N LEU 62.A O no hydrogen 3.031 N/A LEU 68.A N PHE 65.A O no hydrogen 3.309 N/A GLN 73.A N ASP 69.A O no hydrogen 2.926 N/A GLN 73.A NE2 PHE 65.A O no hydrogen 2.913 N/A ALA 75.A N GLU 71.A O no hydrogen 3.477 N/A LEU 76.A N ASP 72.A O no hydrogen 3.168 N/A LEU 77.A N GLN 73.A O no hydrogen 3.377 N/A LYS 78.A N ILE 74.A O no hydrogen 2.862 N/A LYS 78.A NZ ASP 227.A OD1 no hydrogen 3.001 N/A LYS 78.A NZ ASP 227.A OD2 no hydrogen 2.661 N/A GLY 79.A N ALA 75.A O no hydrogen 3.109 N/A SER 80.A N LEU 77.A O no hydrogen 3.304 N/A SER 80.A OG LEU 76.A O no hydrogen 2.943 N/A ALA 81.A N LEU 77.A O no hydrogen 3.018 N/A ALA 84.A N SER 80.A O no hydrogen 2.799 N/A MET 85.A N ALA 81.A O no hydrogen 3.122 N/A PHE 86.A N VAL 82.A O no hydrogen 2.998 N/A LEU 87.A N GLU 83.A O no hydrogen 3.124 N/A ARG 88.A N ALA 84.A O no hydrogen 3.043 N/A ARG 88.A NH1 GLU 91.A OE2 no hydrogen 2.753 N/A SER 89.A N MET 85.A O no hydrogen 2.837 N/A SER 89.A OG MET 85.A O no hydrogen 3.253 N/A SER 89.A OG PHE 86.A O no hydrogen 3.132 N/A SER 89.A OG TYR 126.A OH no hydrogen 2.638 N/A ALA 90.A N PHE 86.A O no hydrogen 2.904 N/A GLU 91.A N LEU 87.A O no hydrogen 2.910 N/A ILE 92.A N ARG 88.A O no hydrogen 2.959 N/A PHE 93.A N SER 89.A O no hydrogen 2.966 N/A ASN 94.A N ALA 90.A O no hydrogen 2.747 N/A ASN 94.A ND2 TYR 126.A O no hydrogen 2.830 N/A LYS 95.A N GLU 91.A O no hydrogen 2.655 N/A LYS 95.A NZ MET 134.A O no hydrogen 3.212 N/A GLY 100.A N LEU 97.A O no hydrogen 2.822 N/A HIS 101.A N PRO 98.A O no hydrogen 3.162 N/A LEU 104.A N HIS 101.A O no hydrogen 2.971 N/A LEU 105.A N HIS 101.A O no hydrogen 2.983 N/A GLU 106.A N SER 102.A O no hydrogen 2.843 N/A GLU 107.A N ASP 103.A O no hydrogen 3.104 N/A ARG 108.A N LEU 104.A O no hydrogen 3.056 N/A ARG 108.A NE ILE 30.A O no hydrogen 2.881 N/A ARG 108.A NH1 GLU 34.A O no hydrogen 3.002 N/A ARG 108.A NH2 ILE 30.A O no hydrogen 3.285 N/A ARG 108.A NH2 GLU 33.A O no hydrogen 2.733 N/A ARG 108.A NH2 GLU 34.A O no hydrogen 3.405 N/A ILE 109.A N LEU 105.A O no hydrogen 3.030 N/A ARG 110.A N GLU 106.A O no hydrogen 2.953 N/A ARG 110.A NE GLU 106.A OE2 no hydrogen 2.905 N/A ASN 111.A N ARG 108.A O no hydrogen 3.234 N/A SER 112.A OG ILE 109.A O no hydrogen 3.144 N/A GLU 117.A N SER 115.A OG no hydrogen 3.040 N/A TYR 118.A N SER 115.A O no hydrogen 2.833 N/A ILE 119.A N SER 115.A O no hydrogen 3.096 N/A THR 120.A N ASP 116.A O no hydrogen 3.060 N/A THR 120.A OG1 ASP 116.A O no hydrogen 3.170 N/A MET 122.A N TYR 118.A O no hydrogen 2.904 N/A PHE 123.A N ILE 119.A O no hydrogen 3.093 N/A SER 124.A N THR 120.A O no hydrogen 3.103 N/A PHE 125.A N PRO 121.A O no hydrogen 2.937 N/A TYR 126.A N MET 122.A O no hydrogen 3.203 N/A TYR 126.A OH SER 89.A OG no hydrogen 2.638 N/A LYS 127.A N PHE 123.A O no hydrogen 2.960 N/A SER 128.A N SER 124.A O no hydrogen 3.047 N/A SER 128.A OG SER 124.A O no hydrogen 3.528 N/A SER 128.A OG PHE 125.A O no hydrogen 2.878 N/A ILE 129.A N PHE 125.A O no hydrogen 2.880 N/A GLY 130.A N TYR 126.A O no hydrogen 3.087 N/A GLU 131.A N LYS 127.A O no hydrogen 2.971 N/A LEU 132.A N ILE 129.A O no hydrogen 3.095 N/A LYS 133.A N GLY 130.A O no hydrogen 2.691 N/A THR 135.A N GLU 138.A OE1 no hydrogen 2.675 N/A THR 135.A OG1 GLU 138.A OE1 no hydrogen 3.085 N/A GLU 138.A N THR 135.A OG1 no hydrogen 3.215 N/A TYR 139.A N THR 135.A O no hydrogen 2.956 N/A TYR 139.A OH ASN 94.A OD1 no hydrogen 3.305 N/A ALA 140.A N GLN 136.A O no hydrogen 2.914 N/A LEU 141.A N GLU 137.A O no hydrogen 2.977 N/A LEU 142.A N GLU 138.A O no hydrogen 2.836 N/A THR 143.A N TYR 139.A O no hydrogen 3.187 N/A THR 143.A OG1 TYR 139.A O no hydrogen 2.807 N/A ALA 144.A N ALA 140.A O no hydrogen 3.079 N/A ILE 145.A N LEU 141.A O no hydrogen 2.846 N/A VAL 146.A N LEU 142.A O no hydrogen 2.895 N/A ILE 147.A N THR 143.A O no hydrogen 3.004 N/A LEU 148.A N ALA 144.A O no hydrogen 3.153 N/A SER 149.A OG ILE 145.A O no hydrogen 3.370 N/A SER 149.A OG VAL 146.A O no hydrogen 2.889 N/A ARG 152.A NH1 GLU 83.A OE1 no hydrogen 3.351 N/A ARG 152.A NH1 GLU 83.A OE2 no hydrogen 3.068 N/A ARG 152.A NH2 GLU 83.A OE1 no hydrogen 3.041 N/A ARG 152.A NH2 VAL 146.A O no hydrogen 2.743 N/A LYS 156.A N ASP 72.A OD1 no hydrogen 3.105 N/A ASP 157.A N ASP 72.A OD2 no hydrogen 3.261 N/A ARG 158.A NE ILE 155.A O no hydrogen 3.472 N/A ARG 158.A NH1 PRO 150.A O no hydrogen 3.065 N/A ARG 158.A NH1 ASP 151.A O no hydrogen 3.227 N/A ALA 160.A N ASP 157.A O no hydrogen 3.363 N/A VAL 161.A N ARG 158.A O no hydrogen 3.063 N/A GLU 162.A N ARG 158.A O no hydrogen 3.177 N/A LYS 163.A N GLU 159.A O no hydrogen 2.996 N/A LEU 164.A N VAL 161.A O no hydrogen 2.753 N/A GLN 165.A N VAL 161.A O no hydrogen 2.870 N/A GLN 165.A NE2 ILE 145.A O no hydrogen 2.834 N/A GLU 166.A N GLU 162.A O no hydrogen 2.983 N/A LEU 169.A N GLN 165.A O no hydrogen 2.897 N/A ASP 170.A N GLU 166.A O no hydrogen 2.956 N/A VAL 171.A N PRO 167.A O no hydrogen 3.152 N/A LEU 172.A N LEU 168.A O no hydrogen 3.143 N/A GLN 173.A N LEU 169.A O no hydrogen 3.066 N/A LYS 174.A N ASP 170.A O no hydrogen 2.835 N/A LEU 175.A N VAL 171.A O no hydrogen 3.000 N/A CYS 176.A N GLN 173.A O no hydrogen 2.901 N/A CYS 176.A SG LEU 172.A O no hydrogen 3.150 N/A LYS 177.A N GLN 173.A O no hydrogen 2.760 N/A ILE 178.A N LYS 174.A O no hydrogen 3.093 N/A GLN 180.A NE2 HIS 179.A O no hydrogen 3.224 N/A HIS 186.A N ASN 183.A O no hydrogen 3.184 N/A HIS 186.A NE2 GLU 138.A OE2 no hydrogen 2.768 N/A CYS 189.A N GLN 185.A O no hydrogen 2.909 N/A CYS 189.A SG GLN 185.A O no hydrogen 3.158 N/A LEU 190.A N HIS 186.A O no hydrogen 3.128 N/A LEU 191.A N PHE 187.A O no hydrogen 3.174 N/A GLY 192.A N ALA 188.A O no hydrogen 2.907 N/A ARG 193.A N CYS 189.A O no hydrogen 3.000 N/A ARG 193.A NH1 CYS 189.A O no hydrogen 3.319 N/A LEU 194.A N LEU 190.A O no hydrogen 3.210 N/A LEU 194.A N LEU 191.A O no hydrogen 3.038 N/A THR 195.A N LEU 191.A O no hydrogen 3.404 N/A GLU 196.A N GLY 192.A O no hydrogen 3.291 N/A LEU 197.A N ARG 193.A O no hydrogen 2.682 N/A ARG 198.A N LEU 194.A O no hydrogen 3.050 N/A THR 199.A N GLU 196.A O no hydrogen 3.218 N/A PHE 200.A N LEU 197.A O no hydrogen 3.023 N/A ASN 201.A N ARG 198.A O no hydrogen 3.112 N/A ASN 201.A ND2 GLU 83.A OE2 no hydrogen 2.699 N/A ASN 201.A ND2 ARG 198.A O no hydrogen 3.226 N/A HIS 204.A N PHE 200.A O no hydrogen 2.783 N/A ALA 205.A N ASN 201.A O no hydrogen 3.144 N/A GLU 206.A N HIS 202.A O no hydrogen 3.204 N/A MET 207.A N HIS 203.A O no hydrogen 2.907 N/A LEU 208.A N HIS 204.A O no hydrogen 2.944 N/A MET 209.A N ALA 205.A O no hydrogen 3.083 N/A SER 210.A N GLU 206.A O no hydrogen 3.038 N/A TRP 211.A N MET 207.A O no hydrogen 3.006 N/A TRP 211.A NE1 SER 112.A O no hydrogen 2.744 N/A ARG 212.A N LEU 208.A O no hydrogen 2.863 N/A ARG 212.A NH1 HIS 216.A O no hydrogen 3.376 N/A VAL 213.A N MET 209.A O no hydrogen 2.971 N/A ASN 214.A N SER 210.A O no hydrogen 3.124 N/A ASN 214.A N TRP 211.A O no hydrogen 2.972 N/A ASN 214.A ND2 SER 210.A O no hydrogen 2.916 N/A ASP 215.A N ARG 212.A O no hydrogen 2.955 N/A HIS 216.A N TRP 211.A O no hydrogen 3.037 N/A THR 219.A OG1 THR 49.A OG1 no hydrogen 2.839 N/A LEU 222.A N THR 219.A OG1 no hydrogen 3.223 N/A CYS 223.A N THR 219.A O no hydrogen 2.795 N/A CYS 223.A SG THR 219.A O no hydrogen 3.223 N/A GLU 224.A N PRO 220.A O no hydrogen 3.017 N/A ILE 225.A N LEU 221.A O no hydrogen 3.080 N/A TRP 226.A N LEU 222.A O no hydrogen 2.906 N/A ASP 227.A N GLU 224.A O no hydrogen 3.234 N/A VAL 228.A N CYS 223.A O no hydrogen 2.783 N/A