Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ub1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 HIS 40.A O no hydrogen 2.743 N/A THR 5.A N ASN 1.A O no hydrogen 3.222 N/A THR 5.A OG1 GLY 2.A O no hydrogen 3.310 N/A ASP 6.A N GLY 2.A O no hydrogen 2.940 N/A MET 7.A N GLY 3.A O no hydrogen 3.012 N/A LEU 8.A N ILE 4.A O no hydrogen 2.956 N/A THR 9.A N THR 5.A O no hydrogen 2.778 N/A THR 9.A OG1 THR 5.A O no hydrogen 2.820 N/A GLU 10.A N ASP 6.A O no hydrogen 3.000 N/A LEU 11.A N MET 7.A O no hydrogen 3.007 N/A ALA 12.A N LEU 8.A O no hydrogen 2.723 N/A ASN 13.A N THR 9.A O no hydrogen 2.817 N/A PHE 14.A N GLU 10.A O no hydrogen 2.878 N/A GLU 15.A N LEU 11.A O no hydrogen 3.005 N/A LYS 16.A N ALA 12.A O no hydrogen 2.994 N/A LYS 16.A NZ ASN 17.A OD1 no hydrogen 2.880 N/A ASN 17.A N ASN 13.A O no hydrogen 2.954 N/A ASN 17.A ND2 ASN 87.A OD1 no hydrogen 2.947 N/A VAL 18.A N PHE 14.A O no hydrogen 3.081 N/A SER 19.A N PHE 14.A O no hydrogen 3.088 N/A SER 19.A OG GLU 15.A OE1 no hydrogen 3.150 N/A ALA 21.A N GLU 15.A O no hydrogen 2.941 N/A TYR 25.A N ALA 21.A O no hydrogen 3.087 N/A ASN 26.A N ILE 22.A O no hydrogen 2.961 N/A ASN 26.A ND2 ILE 22.A O no hydrogen 3.420 N/A ALA 27.A N HIS 23.A O no hydrogen 2.963 N/A TYR 28.A N LYS 24.A O no hydrogen 2.941 N/A ARG 29.A N TYR 25.A O no hydrogen 2.955 N/A LYS 30.A N ASN 26.A O no hydrogen 2.793 N/A ALA 31.A N ALA 27.A O no hydrogen 2.996 N/A ALA 32.A N TYR 28.A O no hydrogen 3.026 N/A SER 33.A N ARG 29.A O no hydrogen 3.195 N/A SER 33.A OG ARG 29.A O no hydrogen 3.458 N/A SER 33.A OG LYS 30.A O no hydrogen 2.751 N/A VAL 34.A N LYS 30.A O no hydrogen 3.125 N/A ILE 35.A N ALA 31.A O no hydrogen 3.058 N/A ALA 36.A N ALA 32.A O no hydrogen 2.759 N/A LYS 37.A N SER 33.A O no hydrogen 3.186 N/A TYR 38.A N ILE 35.A O no hydrogen 3.271 N/A TYR 38.A OH GLU 47.A OE2 no hydrogen 2.899 N/A ILE 42.A N ASN 1.A OD1 no hydrogen 2.668 N/A LYS 43.A N GLU 47.A OE1 no hydrogen 2.640 N/A GLY 45.A N ASP 63.A OD1 no hydrogen 2.506 N/A GLU 47.A N SER 44.A OG no hydrogen 2.724 N/A ALA 48.A N SER 44.A O no hydrogen 3.262 N/A LYS 49.A N GLY 45.A O no hydrogen 2.850 N/A LYS 49.A NZ THR 56.A OG1 no hydrogen 3.012 N/A LYS 50.A N GLU 47.A O no hydrogen 3.158 N/A LEU 51.A N ALA 48.A O no hydrogen 2.834 N/A VAL 54.A N LEU 51.A O no hydrogen 3.352 N/A ALA 59.A N GLY 55.A O no hydrogen 3.057 N/A GLU 60.A N THR 56.A O no hydrogen 3.120 N/A LYS 61.A N LYS 57.A O no hydrogen 3.044 N/A ILE 62.A N ILE 58.A O no hydrogen 2.723 N/A ASP 63.A N ALA 59.A O no hydrogen 2.991 N/A GLU 64.A N GLU 60.A O no hydrogen 3.115 N/A PHE 65.A N LYS 61.A O no hydrogen 2.954 N/A LEU 66.A N ILE 62.A O no hydrogen 2.894 N/A ALA 67.A N ASP 63.A O no hydrogen 2.894 N/A THR 68.A N GLU 64.A O no hydrogen 2.941 N/A THR 68.A OG1 GLU 64.A O no hydrogen 2.792 N/A GLY 69.A N PHE 65.A O no hydrogen 2.617 N/A LYS 70.A N THR 68.A OG1 no hydrogen 3.116 N/A ARG 72.A N GLU 64.A OE2 no hydrogen 2.812 N/A GLU 75.A N LEU 71.A O no hydrogen 3.009 N/A LYS 76.A N ARG 72.A O no hydrogen 3.183 N/A ILE 77.A N LYS 73.A O no hydrogen 3.123 N/A ARG 78.A N LEU 74.A O no hydrogen 3.087 N/A ARG 78.A NH1 GLU 10.A OE2 no hydrogen 3.359 N/A GLN 79.A N GLU 75.A O no hydrogen 3.273 N/A ASP 80.A N ILE 77.A O no hydrogen 3.114 N/A SER 83.A N ASP 80.A OD2 no hydrogen 3.150 N/A SER 83.A OG ASP 80.A OD2 no hydrogen 2.951 N/A SER 84.A N ASP 80.A O no hydrogen 3.248 N/A SER 84.A OG ASP 80.A O no hydrogen 3.228 N/A SER 84.A OG ASP 81.A O no hydrogen 3.270 N/A SER 85.A N ASP 81.A O no hydrogen 3.059 N/A SER 85.A OG ASP 81.A O no hydrogen 3.080 N/A ILE 86.A N THR 82.A O no hydrogen 3.031 N/A ASN 87.A N SER 83.A O no hydrogen 2.948 N/A PHE 88.A N SER 84.A O no hydrogen 2.889 N/A LEU 89.A N SER 85.A O no hydrogen 3.042 N/A THR 90.A N ILE 86.A O no hydrogen 3.345 N/A THR 90.A OG1 ASN 87.A O no hydrogen 3.009 N/A ARG 91.A N PHE 88.A O no hydrogen 2.878 N/A ARG 91.A NE GLU 136.A OE2 no hydrogen 2.554 N/A ARG 91.A NH2 GLU 136.A OE1 no hydrogen 2.781 N/A ARG 91.A NH2 GLU 136.A OE2 no hydrogen 3.094 N/A VAL 92.A N LEU 89.A O no hydrogen 2.919 N/A SER 93.A OG HIS 124.A NE2 no hydrogen 2.612 N/A ILE 95.A N VAL 92.A O no hydrogen 2.901 N/A ALA 100.A N GLY 96.A O no hydrogen 2.911 N/A ARG 101.A N PRO 97.A O no hydrogen 3.126 N/A LYS 102.A N SER 98.A O no hydrogen 3.107 N/A PHE 103.A N ALA 99.A O no hydrogen 2.857 N/A VAL 104.A N ALA 100.A O no hydrogen 2.934 N/A ASP 105.A N ARG 101.A O no hydrogen 2.979 N/A GLY 107.A N VAL 104.A O no hydrogen 3.035 N/A ILE 108.A N PHE 103.A O no hydrogen 2.686 N/A LYS 109.A N ASP 113.A OD2 no hydrogen 3.032 N/A LYS 109.A NZ ASP 81.A OD2 no hydrogen 3.004 N/A THR 110.A N ASP 113.A OD2 no hydrogen 3.286 N/A ASP 113.A N THR 110.A OG1 no hydrogen 3.052 N/A LEU 114.A N THR 110.A O no hydrogen 3.093 N/A ARG 115.A N LEU 111.A O no hydrogen 2.986 N/A LYS 116.A N GLU 112.A O no hydrogen 2.920 N/A ASN 117.A N LEU 114.A O no hydrogen 2.718 N/A ASN 117.A ND2 ASP 113.A O no hydrogen 2.826 N/A GLU 118.A N ARG 115.A O no hydrogen 3.506 N/A LYS 120.A N ASN 117.A O no hydrogen 2.776 N/A LYS 120.A NZ GLU 106.A OE1 no hydrogen 3.434 N/A LEU 121.A N GLU 118.A O no hydrogen 3.116 N/A ASN 122.A N GLN 125.A OE1 no hydrogen 3.040 N/A HIS 124.A NE2 SER 93.A OG no hydrogen 2.612 N/A GLN 125.A N ASN 122.A OD1 no hydrogen 2.775 N/A GLN 125.A NE2 GLY 94.A O no hydrogen 2.702 N/A ARG 126.A N ASN 122.A O no hydrogen 2.928 N/A ARG 126.A NE GLU 118.A O no hydrogen 3.106 N/A ARG 126.A NH2 GLU 118.A O no hydrogen 2.817 N/A ILE 127.A N HIS 123.A O no hydrogen 3.095 N/A GLY 128.A N HIS 124.A O no hydrogen 2.899 N/A LEU 129.A N GLN 125.A O no hydrogen 2.701 N/A LYS 130.A N ARG 126.A O no hydrogen 2.742 N/A LYS 130.A NZ TYR 131.A OH no hydrogen 2.624 N/A TYR 131.A N ILE 127.A O no hydrogen 2.942 N/A TYR 131.A OH ASP 213.A OD2 no hydrogen 2.641 N/A PHE 132.A N LEU 129.A O no hydrogen 3.085 N/A PHE 135.A N TYR 131.A O no hydrogen 2.981 N/A GLU 136.A N GLY 133.A O no hydrogen 3.278 N/A LYS 137.A N ASP 134.A O no hydrogen 3.064 N/A ARG 138.A NE SER 176.A OG no hydrogen 3.117 N/A ARG 138.A NH2 SER 176.A O no hydrogen 3.519 N/A ILE 139.A N SER 177.A O no hydrogen 2.789 N/A ARG 141.A N GLU 175.A O no hydrogen 2.588 N/A ARG 141.A NH1 PHE 170.A O no hydrogen 3.080 N/A ARG 141.A NH1 ALA 174.A O no hydrogen 2.787 N/A ARG 141.A NH2 PHE 170.A O no hydrogen 3.462 N/A GLU 143.A N PRO 140.A O no hydrogen 2.844 N/A MET 144.A N PRO 140.A O no hydrogen 3.313 N/A LEU 145.A N ARG 141.A O no hydrogen 2.948 N/A GLN 146.A N GLU 142.A O no hydrogen 3.218 N/A GLN 146.A NE2 GLU 142.A OE2 no hydrogen 2.748 N/A MET 147.A N GLU 143.A O no hydrogen 2.838 N/A GLN 148.A N MET 144.A O no hydrogen 2.727 N/A ASP 149.A N LEU 145.A O no hydrogen 3.045 N/A VAL 151.A N MET 147.A O no hydrogen 3.115 N/A LEU 152.A N GLN 148.A O no hydrogen 2.876 N/A ASN 153.A N ASP 149.A O no hydrogen 3.132 N/A GLU 154.A N ILE 150.A O no hydrogen 2.827 N/A VAL 155.A N VAL 151.A O no hydrogen 2.757 N/A LYS 156.A N LEU 152.A O no hydrogen 2.814 N/A LYS 157.A N ASN 153.A O no hydrogen 3.013 N/A VAL 158.A N VAL 155.A O no hydrogen 3.263 N/A ASP 159.A N VAL 155.A O no hydrogen 3.364 N/A GLU 161.A N ASP 159.A OD1 no hydrogen 2.925 N/A TYR 162.A N ASP 159.A O no hydrogen 3.178 N/A TYR 162.A OH LEU 197.A O no hydrogen 2.595 N/A TYR 162.A OH GLN 200.A OE1 no hydrogen 3.426 N/A ILE 163.A N THR 185.A O no hydrogen 3.103 N/A THR 165.A N LEU 183.A O no hydrogen 2.902 N/A THR 165.A OG1 TYR 250.A OH no hydrogen 2.669 N/A CYS 167.A N ASP 181.A O no hydrogen 2.932 N/A CYS 167.A SG THR 165.A O no hydrogen 3.665 N/A GLY 168.A N PHE 257.A O no hydrogen 3.008 N/A ARG 171.A N GLY 168.A O no hydrogen 3.037 N/A ARG 171.A NH1 THR 258.A OG1 no hydrogen 3.091 N/A ARG 171.A NH1 GLU 301.A OE1 no hydrogen 2.922 N/A ARG 171.A NH1 GLU 301.A OE2 no hydrogen 3.121 N/A ARG 171.A NH2 GLU 301.A OE2 no hydrogen 2.754 N/A ARG 172.A NH1 THR 258.A O no hydrogen 2.908 N/A GLY 173.A N PHE 170.A O no hydrogen 2.924 N/A ALA 174.A N SER 169.A O no hydrogen 3.034 N/A SER 177.A N ILE 139.A O no hydrogen 2.916 N/A MET 180.A N ARG 239.A O no hydrogen 2.879 N/A VAL 182.A N ASP 241.A O no hydrogen 3.045 N/A LEU 183.A N THR 165.A O no hydrogen 2.920 N/A LEU 184.A N ARG 243.A O no hydrogen 2.650 N/A THR 185.A N ILE 163.A O no hydrogen 2.913 N/A THR 185.A OG1 ILE 245.A O no hydrogen 2.827 N/A HIS 186.A N THR 185.A OG1 no hydrogen 2.695 N/A HIS 186.A NE2 ASP 159.A OD2 no hydrogen 3.107 N/A PHE 189.A N HIS 186.A O no hydrogen 2.868 N/A SER 191.A N ASP 248.A OD1 no hydrogen 2.903 N/A SER 191.A OG ASP 248.A OD2 no hydrogen 2.151 N/A SER 193.A N THR 190.A O no hydrogen 2.802 N/A SER 193.A N THR 190.A OG1 no hydrogen 3.341 N/A SER 193.A OG SER 188.A O no hydrogen 3.257 N/A GLN 200.A N LYS 196.A O no hydrogen 2.978 N/A VAL 202.A N LEU 198.A O no hydrogen 2.899 N/A GLU 203.A N HIS 199.A O no hydrogen 2.642 N/A GLN 204.A N GLN 200.A O no hydrogen 2.820 N/A GLN 204.A NE2 GLU 154.A OE1 no hydrogen 2.589 N/A LEU 205.A N VAL 201.A O no hydrogen 3.092 N/A GLN 206.A N VAL 202.A O no hydrogen 3.124 N/A GLN 206.A N GLU 203.A O no hydrogen 2.860 N/A LYS 207.A N GLU 203.A O no hydrogen 2.980 N/A HIS 209.A N GLN 206.A O no hydrogen 2.993 N/A PHE 210.A N LEU 205.A O no hydrogen 3.129 N/A ILE 211.A N LEU 205.A O no hydrogen 3.135 N/A THR 212.A N VAL 225.A O no hydrogen 2.842 N/A THR 212.A OG1 ASP 213.A OD2 no hydrogen 2.728 N/A LEU 215.A N MET 223.A O no hydrogen 2.746 N/A SER 216.A N MET 223.A O no hydrogen 3.059 N/A LYS 217.A NZ HIS 199.A ND1 no hydrogen 3.203 N/A GLY 218.A N LYS 221.A O no hydrogen 3.042 N/A PHE 222.A N ILE 242.A O no hydrogen 2.838 N/A MET 223.A N SER 216.A O no hydrogen 2.902 N/A GLY 224.A N ILE 240.A O no hydrogen 2.838 N/A VAL 225.A N ASP 213.A O no hydrogen 2.837 N/A CYS 226.A N ARG 238.A O no hydrogen 2.791 N/A CYS 226.A SG ARG 238.A O no hydrogen 3.918 N/A GLN 227.A N PHE 210.A O no hydrogen 2.859 N/A HIS 237.A N ASP 134.A OD2 no hydrogen 3.045 N/A ARG 238.A N CYS 226.A O no hydrogen 2.727 N/A ARG 238.A NE GLU 143.A OE1 no hydrogen 3.413 N/A ARG 238.A NH2 GLU 143.A OE1 no hydrogen 2.822 N/A ARG 238.A NH2 GLU 143.A OE2 no hydrogen 3.227 N/A ARG 239.A NH1 GLY 224.A O no hydrogen 2.974 N/A ARG 239.A NH1 ILE 240.A O no hydrogen 3.162 N/A ARG 239.A NH1 ASP 241.A OD1 no hydrogen 3.026 N/A ARG 239.A NH2 ASP 241.A OD1 no hydrogen 2.813 N/A ILE 240.A N GLY 224.A O no hydrogen 2.899 N/A ASP 241.A N MET 180.A O no hydrogen 2.835 N/A ILE 242.A N PHE 222.A O no hydrogen 2.784 N/A ARG 243.A N VAL 182.A O no hydrogen 2.825 N/A LEU 244.A N THR 220.A O no hydrogen 2.571 N/A ILE 245.A N LEU 184.A O no hydrogen 2.788 N/A LYS 247.A N PHE 189.A O no hydrogen 2.893 N/A GLN 249.A N PRO 246.A O no hydrogen 3.036 N/A TYR 250.A OH THR 165.A OG1 no hydrogen 2.669 N/A TYR 250.A OH LEU 183.A O no hydrogen 2.678 N/A GLY 253.A N GLN 249.A O no hydrogen 2.912 N/A VAL 254.A N TYR 250.A O no hydrogen 2.589 N/A LEU 255.A N TYR 251.A O no hydrogen 2.753 N/A TYR 256.A N CYS 252.A O no hydrogen 2.927 N/A PHE 257.A N GLY 253.A O no hydrogen 2.975 N/A THR 258.A OG1 VAL 254.A O no hydrogen 2.804 N/A GLY 259.A N TYR 256.A O no hydrogen 3.181 N/A PHE 263.A N SER 260.A OG no hydrogen 3.047 N/A ASN 264.A N SER 260.A O no hydrogen 3.010 N/A ASN 264.A ND2 TYR 256.A O no hydrogen 3.081 N/A LYS 265.A N ASP 261.A O no hydrogen 3.130 N/A ASN 266.A N ILE 262.A O no hydrogen 3.198 N/A MET 267.A N PHE 263.A O no hydrogen 2.940 N/A ARG 268.A N ASN 264.A O no hydrogen 2.922 N/A ALA 269.A N LYS 265.A O no hydrogen 3.100 N/A HIS 270.A N ASN 266.A O no hydrogen 2.829 N/A ALA 271.A N MET 267.A O no hydrogen 2.667 N/A LEU 272.A N ARG 268.A O no hydrogen 3.025 N/A LEU 272.A N ALA 269.A O no hydrogen 3.235 N/A LYS 274.A N HIS 270.A O no hydrogen 3.424 N/A GLY 275.A N LEU 272.A O no hydrogen 2.818 N/A PHE 276.A N ALA 271.A O no hydrogen 2.845 N/A THR 277.A N ARG 284.A O no hydrogen 2.856 N/A ASN 279.A N THR 282.A O no hydrogen 3.153 N/A TYR 281.A N ASN 279.A OD1 no hydrogen 2.866 N/A THR 282.A N ASN 279.A OD1 no hydrogen 2.822 N/A THR 282.A OG1 ASN 279.A OD1 no hydrogen 3.457 N/A ARG 284.A N THR 277.A O no hydrogen 3.077 N/A LEU 286.A N GLY 275.A O no hydrogen 2.878 N/A GLY 287.A N VAL 291.A O no hydrogen 2.764 N/A GLY 290.A N GLY 287.A O no hydrogen 3.064 N/A GLY 293.A N PRO 285.A O no hydrogen 2.640 N/A LEU 296.A N ILE 283.A O no hydrogen 2.825 N/A ASP 299.A N ASP 303.A OD1 no hydrogen 2.706 N/A PHE 305.A N GLU 301.A O no hydrogen 3.474 N/A ASP 306.A N LYS 302.A O no hydrogen 2.657 N/A TYR 307.A N ASP 303.A O no hydrogen 2.851 N/A TYR 307.A OH PRO 297.A O no hydrogen 2.680 N/A ILE 308.A N ILE 304.A O no hydrogen 3.318 N/A GLN 309.A N ASP 306.A O no hydrogen 2.926 N/A TRP 310.A N PHE 305.A O no hydrogen 2.747 N/A ARG 313.A NH1 ASP 317.A O no hydrogen 3.479 N/A ASP 317.A N GLU 314.A O no hydrogen 2.657 N/A