Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ru1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A NE2 THR 37.A OG1 no hydrogen 2.681 N/A LEU 5.A N ASN 35.A O no hydrogen 3.006 N/A THR 6.A N ASP 62.A OD2 no hydrogen 2.817 N/A ILE 7.A N THR 37.A O no hydrogen 2.914 N/A ALA 8.A N GLY 63.A O no hydrogen 2.999 N/A MET 9.A N LYS 39.A O no hydrogen 2.735 N/A ILE 10.A N ALA 65.A O no hydrogen 2.774 N/A THR 11.A N SER 41.A O no hydrogen 2.931 N/A THR 11.A OG1 TYR 40.A OH no hydrogen 2.883 N/A HIS 12.A ND1 THR 67.A OG1 no hydrogen 2.767 N/A GLN 13.A N THR 11.A OG1 no hydrogen 3.170 N/A GLN 13.A NE2 ASP 17.A O no hydrogen 3.397 N/A ASP 17.A N GLN 14.A O no hydrogen 3.024 N/A PHE 19.A N ASP 17.A OD1 no hydrogen 3.161 N/A TRP 20.A N ASP 17.A O no hydrogen 3.240 N/A ASP 21.A N THR 18.A O no hydrogen 3.012 N/A ILE 22.A N PHE 19.A O no hydrogen 3.072 N/A ARG 24.A N TRP 20.A O no hydrogen 2.880 N/A LYS 25.A N ASP 21.A O no hydrogen 3.005 N/A GLY 26.A N ILE 22.A O no hydrogen 3.146 N/A ALA 27.A N ILE 23.A O no hydrogen 3.015 N/A LEU 28.A N ARG 24.A O no hydrogen 2.844 N/A ALA 29.A N LYS 25.A O no hydrogen 2.968 N/A ALA 30.A N GLY 26.A O no hydrogen 3.073 N/A ALA 31.A N ALA 27.A O no hydrogen 2.967 N/A ALA 32.A N LEU 28.A O no hydrogen 2.910 N/A LYS 33.A N ALA 30.A O no hydrogen 3.102 N/A LYS 33.A NZ TYR 242.A OH no hydrogen 2.645 N/A ASP 34.A N ALA 30.A O no hydrogen 2.963 N/A ASP 34.A N ALA 31.A O no hydrogen 3.235 N/A ASN 35.A ND2 THR 2.A O no hydrogen 3.480 N/A ASN 35.A ND2 PRO 3.A O no hydrogen 3.315 N/A VAL 36.A N ALA 31.A O no hydrogen 3.119 N/A THR 37.A N LEU 5.A O no hydrogen 2.710 N/A THR 37.A OG1 HIS 4.A NE2 no hydrogen 2.681 N/A LYS 39.A N ILE 7.A O no hydrogen 2.851 N/A TYR 40.A OH GLN 13.A OE1 no hydrogen 2.576 N/A SER 41.A N MET 9.A O no hydrogen 2.858 N/A ASN 42.A ND2 GLN 13.A O no hydrogen 2.937 N/A ASP 43.A N THR 11.A O no hydrogen 3.090 N/A ASP 45.A N ASP 43.A OD1 no hydrogen 2.958 N/A SER 46.A OG ASP 70.A OD2 no hydrogen 2.670 N/A THR 47.A N ASP 45.A OD1 no hydrogen 2.860 N/A LYS 48.A N ASP 45.A OD1 no hydrogen 3.328 N/A GLU 49.A N ASP 45.A O no hydrogen 2.817 N/A ALA 50.A N SER 46.A O no hydrogen 3.024 N/A VAL 51.A N THR 47.A O no hydrogen 3.273 N/A LEU 52.A N LYS 48.A O no hydrogen 3.010 N/A ILE 53.A N GLU 49.A O no hydrogen 3.163 N/A GLN 54.A N ALA 50.A O no hydrogen 3.174 N/A GLN 54.A NE2 GLN 80.A OE1 no hydrogen 3.202 N/A ASP 55.A N VAL 51.A O no hydrogen 2.949 N/A ALA 56.A N LEU 52.A O no hydrogen 3.218 N/A VAL 57.A N ILE 53.A O no hydrogen 2.998 N/A ASN 58.A N GLN 54.A O no hydrogen 2.769 N/A ALA 59.A N ASP 55.A O no hydrogen 3.000 N/A LYS 60.A N VAL 57.A O no hydrogen 3.159 N/A VAL 61.A N ALA 56.A O no hydrogen 3.397 N/A ASP 62.A N THR 6.A O no hydrogen 2.766 N/A ILE 64.A N PRO 87.A O no hydrogen 3.019 N/A ALA 65.A N ALA 8.A O no hydrogen 2.796 N/A VAL 66.A N VAL 89.A O no hydrogen 2.924 N/A THR 67.A N ILE 10.A O no hydrogen 3.074 N/A THR 67.A OG1 HIS 12.A ND1 no hydrogen 2.767 N/A THR 67.A OG1 GLU 49.A OE2 no hydrogen 3.076 N/A ILE 68.A N ALA 93.A O no hydrogen 2.798 N/A ALA 73.A N ASP 70.A O no hydrogen 3.066 N/A LEU 74.A N PRO 71.A O no hydrogen 3.000 N/A ILE 75.A N PRO 71.A O no hydrogen 2.898 N/A ILE 78.A N LEU 74.A O no hydrogen 3.065 N/A LYS 79.A N ILE 75.A O no hydrogen 2.813 N/A GLN 80.A N PRO 76.A O no hydrogen 2.932 N/A ALA 81.A N ALA 77.A O no hydrogen 2.991 N/A VAL 82.A N ILE 78.A O no hydrogen 2.929 N/A ALA 83.A N LYS 79.A O no hydrogen 2.973 N/A ALA 84.A N GLN 80.A O no hydrogen 3.012 N/A GLY 85.A N VAL 82.A O no hydrogen 2.963 N/A ILE 86.A N ALA 81.A O no hydrogen 3.342 N/A VAL 89.A N ILE 64.A O no hydrogen 2.884 N/A ALA 90.A N MET 105.A O no hydrogen 3.024 N/A PHE 91.A N VAL 66.A O no hydrogen 2.997 N/A ASN 92.A N PHE 107.A O no hydrogen 2.954 N/A ASN 92.A ND2 GLU 240.A OE1 no hydrogen 3.044 N/A ALA 93.A N PHE 91.A O no hydrogen 2.723 N/A GLN 97.A N GLY 94.A O no hydrogen 3.042 N/A LYS 99.A NZ GLY 261.A O no hydrogen 2.861 N/A SER 101.A N TRP 98.A O no hydrogen 3.118 N/A SER 101.A OG TRP 98.A O no hydrogen 2.671 N/A GLY 102.A N LYS 99.A O no hydrogen 3.051 N/A ALA 103.A N SER 101.A OG no hydrogen 3.182 N/A LEU 104.A N VAL 88.A O.A no hydrogen 2.813 N/A LEU 104.A N VAL 88.A O.B no hydrogen 2.745 N/A PHE 107.A N ALA 90.A O no hydrogen 3.131 N/A GLY 108.A N VAL 264.A O no hydrogen 3.238 N/A GLN 109.A NE2 GLU 111.A OE1 no hydrogen 2.947 N/A VAL 113.A N ASP 110.A OD1 no hydrogen 3.053 N/A ALA 114.A N ASP 110.A O no hydrogen 2.916 N/A GLY 115.A N GLU 111.A O no hydrogen 2.898 N/A GLN 116.A N THR 112.A O no hydrogen 2.824 N/A GLN 116.A NE2 GLN 151.A OE1 no hydrogen 2.854 N/A ALA 117.A N VAL 113.A O no hydrogen 2.835 N/A ALA 118.A N ALA 114.A O no hydrogen 2.830 N/A GLY 119.A N GLY 115.A O no hydrogen 2.930 N/A ALA 120.A N GLN 116.A O no hydrogen 3.255 N/A ARG 121.A N ALA 117.A O no hydrogen 2.993 N/A ARG 121.A NE GLU 125.A OE2 no hydrogen 2.916 N/A ARG 121.A NH2 ASP 272.A OD2 no hydrogen 2.847 N/A ALA 122.A N ALA 118.A O no hydrogen 2.852 N/A THR 123.A N GLY 119.A O no hydrogen 3.035 N/A THR 123.A OG1 GLY 119.A O no hydrogen 3.236 N/A SER 124.A N ALA 120.A O no hydrogen 2.976 N/A SER 124.A OG ALA 120.A O no hydrogen 2.969 N/A GLU 125.A N ARG 121.A O no hydrogen 2.943 N/A GLY 126.A N THR 123.A O no hydrogen 3.074 N/A PHE 127.A N ALA 122.A O no hydrogen 3.135 N/A LYS 128.A N ASP 185.A OD1 no hydrogen 3.254 N/A LYS 128.A N ASP 185.A OD2 no hydrogen 2.874 N/A HIS 129.A N ASP 185.A OD1 no hydrogen 2.870 N/A HIS 129.A ND1 SER 183.A OG no hydrogen 2.829 N/A HIS 129.A NE2 THR 158.A OG1 no hydrogen 2.732 N/A VAL 130.A N GLN 156.A O no hydrogen 2.933 N/A LEU 131.A N LEU 186.A O no hydrogen 2.793 N/A CYS 132.A N THR 158.A O no hydrogen 2.838 N/A VAL 133.A N ILE 188.A O no hydrogen 2.936 N/A LEU 134.A N LEU 160.A O no hydrogen 2.875 N/A GLN 135.A N GLN 135.A OE1 no hydrogen 2.821 N/A VAL 140.A N PRO 69.A O no hydrogen 2.945 N/A GLN 141.A N GLN 141.A OE1 no hydrogen 2.727 N/A GLN 141.A NE2 GLN 139.A OE1 no hydrogen 2.914 N/A LEU 142.A N GLN 139.A O no hydrogen 3.030 N/A GLU 143.A N GLN 139.A O no hydrogen 2.957 N/A SER 144.A N VAL 140.A O no hydrogen 2.896 N/A SER 144.A OG VAL 140.A O no hydrogen 2.769 N/A ARG 145.A NE GLU 111.A OE1 no hydrogen 2.775 N/A ARG 145.A NH2 GLU 111.A OE1 no hydrogen 3.499 N/A ARG 145.A NH2 GLU 111.A OE2 no hydrogen 2.919 N/A ARG 145.A NH2 GLN 235.A OE1 no hydrogen 3.231 N/A CYS 146.A N LEU 142.A O no hydrogen 3.222 N/A CYS 146.A SG LEU 142.A O no hydrogen 3.799 N/A ASN 147.A N GLU 143.A O no hydrogen 2.799 N/A GLY 148.A N SER 144.A O no hydrogen 2.895 N/A VAL 149.A N ARG 145.A O no hydrogen 3.035 N/A GLN 150.A N CYS 146.A O no hydrogen 2.993 N/A GLN 151.A N ASN 147.A O no hydrogen 3.183 N/A GLN 151.A NE2 ASN 147.A OD1 no hydrogen 2.843 N/A THR 152.A OG1 GLN 116.A O no hydrogen 2.751 N/A THR 152.A OG1 GLY 148.A O no hydrogen 3.488 N/A PHE 153.A N VAL 149.A O no hydrogen 2.880 N/A LYS 154.A N THR 123.A OG1 no hydrogen 2.935 N/A GLN 156.A N LYS 128.A O no hydrogen 2.931 N/A TYR 157.A OH CYS 146.A O no hydrogen 3.285 N/A THR 158.A N VAL 130.A O no hydrogen 2.971 N/A THR 158.A OG1 HIS 129.A NE2 no hydrogen 2.732 N/A LYS 159.A NZ GLU 143.A OE1 no hydrogen 2.746 N/A LYS 159.A NZ TYR 161.A OH no hydrogen 2.841 N/A LEU 160.A N CYS 132.A O no hydrogen 2.916 N/A TYR 161.A OH GLU 143.A OE1 no hydrogen 2.976 N/A TYR 161.A OH GLU 143.A OE2 no hydrogen 2.603 N/A VAL 162.A N LEU 134.A O no hydrogen 2.980 N/A GLY 164.A N GLN 135.A O no hydrogen 3.199 N/A ALA 165.A N ASN 163.A OD1 no hydrogen 3.199 N/A ASP 166.A N ASN 163.A O no hydrogen 2.806 N/A SER 169.A N ASP 166.A OD1 no hydrogen 3.240 N/A VAL 170.A N ASP 166.A O no hydrogen 3.087 N/A ARG 171.A N GLN 167.A O no hydrogen 3.108 N/A ARG 171.A NE ASP 204.A OD2 no hydrogen 2.853 N/A ARG 171.A NH2 ASP 204.A OD1 no hydrogen 3.102 N/A ARG 171.A NH2 ASP 204.A OD2 no hydrogen 3.204 N/A THR 172.A N PRO 168.A O no hydrogen 3.185 N/A THR 172.A OG1 PRO 168.A O no hydrogen 3.441 N/A THR 172.A OG1 SER 169.A O no hydrogen 3.247 N/A THR 173.A N SER 169.A O no hydrogen 2.991 N/A THR 173.A OG1 SER 169.A O no hydrogen 2.819 N/A ILE 174.A N VAL 170.A O no hydrogen 2.919 N/A ALA 175.A N ARG 171.A O no hydrogen 2.997 N/A ALA 176.A N THR 172.A O no hydrogen 2.980 N/A LYS 177.A N THR 173.A O no hydrogen 3.205 N/A LYS 177.A NZ.A LYS 177.A O no hydrogen 3.038 N/A LEU 178.A N ILE 174.A O no hydrogen 3.065 N/A LYS 179.A N ALA 175.A O no hydrogen 2.940 N/A GLN 180.A N ALA 176.A O no hydrogen 2.932 N/A ASP 181.A N LYS 177.A O no hydrogen 3.087 N/A SER 183.A N ASP 181.A OD1 no hydrogen 3.113 N/A SER 183.A OG HIS 129.A ND1 no hydrogen 2.829 N/A SER 183.A OG ASP 181.A OD1 no hydrogen 2.659 N/A SER 183.A OG ASP 181.A OD2 no hydrogen 3.417 N/A ILE 184.A N ASP 181.A O no hydrogen 3.045 N/A ASP 185.A N HIS 129.A O no hydrogen 3.061 N/A LEU 186.A N HIS 129.A O no hydrogen 3.381 N/A VAL 187.A N LYS 210.A O no hydrogen 2.919 N/A ILE 188.A N LEU 131.A O no hydrogen 2.800 N/A THR 189.A N ALA 212.A O no hydrogen 2.987 N/A THR 189.A OG1 ALA 212.A O no hydrogen 3.429 N/A THR 189.A OG1 THR 213.A OG1 no hydrogen 2.757 N/A ALA 195.A N GLY 191.A O no hydrogen 2.954 N/A GLN 196.A N ALA 192.A O no hydrogen 3.191 N/A GLN 196.A NE2 ALA 192.A O no hydrogen 3.371 N/A GLN 196.A NE2 GLU 223.A OE1 no hydrogen 2.774 N/A LEU 197.A N PRO 193.A O no hydrogen 3.466 N/A ALA 198.A N ILE 194.A O no hydrogen 2.903 N/A ILE 199.A N ALA 195.A O no hydrogen 2.998 N/A GLN 200.A N GLN 196.A O no hydrogen 3.294 N/A ALA 201.A N LEU 197.A O no hydrogen 2.857 N/A VAL 202.A N ALA 198.A O no hydrogen 2.844 N/A LYS 203.A N ILE 199.A O no hydrogen 3.440 N/A LYS 203.A NZ GLN 200.A OE1 no hydrogen 3.338 N/A ASP 204.A N GLN 200.A O no hydrogen 2.861 N/A ALA 205.A N ALA 201.A O no hydrogen 2.938 N/A GLY 206.A N LYS 203.A O no hydrogen 3.062 N/A SER 207.A N VAL 202.A O no hydrogen 3.087 N/A ALA 209.A N SER 207.A OG no hydrogen 3.003 N/A LYS 210.A N ASP 185.A O no hydrogen 3.001 N/A ALA 212.A N VAL 187.A O no hydrogen 2.930 N/A THR 213.A N TRP 231.A O no hydrogen 3.150 N/A THR 213.A OG1 THR 189.A O no hydrogen 3.412 N/A THR 213.A OG1 THR 189.A OG1 no hydrogen 2.757 N/A THR 213.A OG1 GLY 191.A O no hydrogen 3.287 N/A THR 213.A OG1 PHE 214.A O no hydrogen 2.852 N/A PHE 214.A N THR 189.A O no hydrogen 2.966 N/A ASP 215.A N ILE 233.A O no hydrogen 2.760 N/A GLN 219.A N ASN 217.A OD1 no hydrogen 2.846 N/A VAL 220.A N ASN 217.A O no hydrogen 3.234 N/A VAL 220.A N ASN 217.A OD1 no hydrogen 3.139 N/A GLU 223.A N GLN 219.A O no hydrogen 3.300 N/A ILE 224.A N VAL 220.A O no hydrogen 2.938 N/A GLU 225.A N PRO 221.A O no hydrogen 3.023 N/A ASN 226.A N ALA 222.A O no hydrogen 2.865 N/A ASN 226.A ND2 GLN 228.A OE1 no hydrogen 3.227 N/A GLY 227.A N ILE 224.A O no hydrogen 3.306 N/A GLN 228.A N ASN 226.A OD1 no hydrogen 3.083 N/A LEU 229.A N GLU 223.A O no hydrogen 3.064 N/A GLN 230.A N ILE 211.A O no hydrogen 2.806 N/A TRP 231.A NE1 GLU 125.A OE1 no hydrogen 2.989 N/A ALA 232.A N VAL 271.A O no hydrogen 2.995 N/A ILE 233.A N THR 213.A O no hydrogen 2.895 N/A ASP 234.A N PHE 269.A O no hydrogen 2.791 N/A GLN 235.A NE2 GLU 240.A OE2 no hydrogen 2.562 N/A GLN 236.A N ASP 234.A OD1 no hydrogen 2.860 N/A GLU 240.A N GLN 236.A O no hydrogen 3.001 N/A GLY 241.A N PRO 237.A O no hydrogen 2.986 N/A TYR 242.A N TYR 238.A O no hydrogen 2.883 N/A GLU 243.A N VAL 239.A O no hydrogen 2.824 N/A ALA 244.A N GLU 240.A O no hydrogen 3.028 N/A VAL 245.A N GLY 241.A O no hydrogen 3.422 N/A ASP 246.A N TYR 242.A O no hydrogen 2.885 N/A SER 247.A N GLU 243.A O no hydrogen 2.828 N/A SER 247.A OG GLU 243.A O no hydrogen 2.784 N/A SER 247.A OG ALA 244.A O no hydrogen 3.487 N/A TRP 249.A N VAL 245.A O no hydrogen 3.098 N/A LEU 250.A N ASP 246.A O no hydrogen 2.917 N/A TYR 251.A N SER 247.A O no hydrogen 2.975 N/A ILE 252.A N LEU 248.A O no hydrogen 2.872 N/A THR 253.A N TRP 249.A O no hydrogen 2.970 N/A THR 253.A OG1 TRP 249.A O no hydrogen 2.704 N/A ASN 254.A N LEU 250.A O no hydrogen 2.949 N/A ASN 254.A ND2 ASP 256.A OD2 no hydrogen 2.934 N/A GLY 255.A N TYR 251.A O no hydrogen 2.859 N/A ASP 256.A N LEU 250.A O no hydrogen 3.328 N/A GLU 262.A N GLY 259.A O no hydrogen 3.044 N/A VAL 264.A N TYR 106.A O no hydrogen 2.882 N/A THR 266.A N GLY 108.A O no hydrogen 3.133 N/A THR 266.A OG1 GLN 235.A O no hydrogen 2.716 N/A THR 266.A OG1 GLU 240.A OE2 no hydrogen 3.260 N/A PHE 269.A N ASP 234.A O no hydrogen 3.149 N/A VAL 271.A N ALA 232.A O no hydrogen 2.834 N/A ASP 272.A N ASN 275.A OD1 no hydrogen 2.798 N/A SER 274.A N ASP 272.A OD1 no hydrogen 2.868 N/A SER 274.A OG ASP 272.A OD1 no hydrogen 2.735 N/A ASN 275.A N ASP 272.A O no hydrogen 3.229 N/A ASN 275.A ND2 PHE 270.A O no hydrogen 3.191 N/A VAL 276.A N ASP 272.A O no hydrogen 3.049 N/A VAL 279.A N VAL 276.A O no hydrogen 2.919 N/A ALA 280.A N VAL 276.A O no hydrogen 3.016 N/A LYS 281.A NZ GLU 284.A OE1 no hydrogen 3.029 N/A ALA 283.A N VAL 279.A O no hydrogen 2.940 N/A GLU 284.A N ALA 280.A O no hydrogen 2.820 N/A ARG 285.A N LYS 281.A O no hydrogen 3.134 N/A ARG 285.A N PHE 282.A O no hydrogen 3.289 N/A ARG 285.A NE THR 287.A OG1 no hydrogen 2.811 N/A GLY 286.A N ALA 283.A O no hydrogen 2.930 N/A THR 287.A N PHE 282.A O no hydrogen 3.005 N/A THR 287.A OG1 PHE 282.A O no hydrogen 3.332 N/A ARG 288.A NH1 ASP 234.A OD2 no hydrogen 2.852 N/A