Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1du4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N ARG 232.A O no hydrogen 3.221 N/A GLN 4.A NE2 ASN 8.A OD1 no hydrogen 2.901 N/A LEU 6.A N SER 3.A OG no hydrogen 3.360 N/A PHE 7.A N SER 3.A O no hydrogen 3.168 N/A ASN 8.A N GLN 4.A O no hydrogen 2.867 N/A GLN 9.A N ASP 5.A O no hydrogen 3.066 N/A GLN 9.A NE2 ASP 5.A O no hydrogen 3.602 N/A GLN 9.A NE2 ASP 5.A OD2 no hydrogen 3.074 N/A PHE 10.A N LEU 6.A O no hydrogen 2.747 N/A ASN 11.A N PHE 7.A O no hydrogen 2.946 N/A LEU 12.A N ASN 8.A O no hydrogen 3.094 N/A PHE 13.A N GLN 9.A O no hydrogen 2.944 N/A ALA 14.A N PHE 10.A O no hydrogen 3.055 N/A GLN 15.A N LEU 12.A O no hydrogen 3.129 N/A TYR 16.A N LEU 12.A O no hydrogen 3.046 N/A TYR 16.A OH ASP 70.A OD2 no hydrogen 2.814 N/A SER 17.A N PHE 13.A O no hydrogen 2.879 N/A SER 17.A OG PHE 13.A O no hydrogen 3.119 N/A SER 17.A OG THR 143.A OG1 no hydrogen 3.007 N/A ALA 18.A N ALA 14.A O no hydrogen 2.784 N/A ALA 19.A N GLN 15.A O no hydrogen 2.775 N/A ALA 20.A N SER 17.A O no hydrogen 3.154 N/A TYR 21.A N ALA 18.A O no hydrogen 2.819 N/A TYR 21.A OH HIS 145.A ND1 no hydrogen 2.461 N/A CYS 22.A N ALA 19.A O no hydrogen 2.907 N/A CYS 22.A SG ALA 19.A O no hydrogen 3.650 N/A GLY 23.A N LEU 269.A O no hydrogen 3.434 N/A GLY 23.A N LEU 269.A OXT no hydrogen 3.067 N/A ASN 25.A N CYS 22.A O no hydrogen 2.732 N/A ASN 25.A ND2 ALA 19.A O no hydrogen 2.994 N/A ASN 25.A ND2 THR 35.A O no hydrogen 2.980 N/A ASN 26.A N GLY 23.A O no hydrogen 3.061 N/A ASN 26.A ND2 ALA 20.A O no hydrogen 3.051 N/A ALA 28.A N SER 54.A OG no hydrogen 3.200 N/A GLY 31.A N PHE 51.A O no hydrogen 2.985 N/A THR 32.A N PRO 29.A O no hydrogen 3.241 N/A ILE 34.A N ALA 49.A O no hydrogen 2.866 N/A CYS 36.A N GLU 45.A OE2 no hydrogen 2.691 N/A GLU 43.A N GLN 15.A OE1 no hydrogen 2.746 N/A VAL 44.A N CYS 41.A O no hydrogen 3.156 N/A GLU 45.A N CYS 41.A O no hydrogen 3.172 N/A LYS 46.A N PRO 42.A O no hydrogen 2.868 N/A ASP 48.A N THR 72.A OG1 no hydrogen 2.990 N/A ALA 49.A N ALA 47.A O no hydrogen 2.813 N/A THR 50.A N LEU 69.A O no hydrogen 3.036 N/A PHE 51.A N THR 32.A O no hydrogen 2.838 N/A LEU 52.A N LEU 67.A O no hydrogen 2.786 N/A TYR 53.A N LEU 67.A O no hydrogen 3.190 N/A SER 54.A OG ASN 25.A O no hydrogen 2.986 N/A PHE 55.A N GLY 65.A O no hydrogen 3.056 N/A ASP 57.A N THR 64.A OG1 no hydrogen 3.348 N/A SER 58.A N VAL 63.A O no hydrogen 3.186 N/A VAL 60.A N SER 119.A OG no hydrogen 3.025 N/A VAL 63.A N SER 58.A O no hydrogen 3.011 N/A THR 64.A OG1 ASP 62.A O no hydrogen 2.852 N/A GLY 65.A N PHE 55.A O no hydrogen 3.086 N/A PHE 66.A N SER 79.A O no hydrogen 2.821 N/A LEU 67.A N TYR 53.A O no hydrogen 2.811 N/A ALA 68.A N VAL 77.A O no hydrogen 2.799 N/A LEU 69.A N THR 50.A O no hydrogen 2.789 N/A ASP 70.A N LEU 75.A O no hydrogen 2.890 N/A ASN 71.A N ASP 48.A O no hydrogen 3.369 N/A ASN 71.A ND2 ASP 48.A OD2 no hydrogen 2.965 N/A ASN 73.A N ASP 70.A OD1 no hydrogen 2.932 N/A ASN 73.A ND2 ASP 70.A OD2 no hydrogen 2.858 N/A LEU 75.A N ASP 70.A O no hydrogen 3.231 N/A ILE 76.A N ARG 139.A O no hydrogen 3.140 N/A VAL 77.A N ALA 68.A O no hydrogen 2.895 N/A LEU 78.A N VAL 141.A O no hydrogen 3.025 N/A SER 79.A N PHE 66.A O no hydrogen 2.682 N/A SER 79.A OG TYR 16.A O no hydrogen 2.777 N/A PHE 80.A N THR 143.A O no hydrogen 2.900 N/A ARG 81.A N THR 64.A O no hydrogen 2.715 N/A ARG 81.A NH1 GLY 82.A O no hydrogen 3.544 N/A SER 83.A OG SER 85.A O no hydrogen 3.001 N/A ARG 84.A NH1 ARG 84.A O no hydrogen 3.401 N/A ARG 84.A NH2 CYS 268.A O no hydrogen 2.419 N/A SER 85.A N SER 83.A OG no hydrogen 3.222 N/A GLU 87.A N GLU 87.A OE2 no hydrogen 2.597 N/A TRP 89.A N SER 85.A O no hydrogen 3.118 N/A ILE 90.A N ILE 86.A O no hydrogen 2.962 N/A GLY 91.A N GLU 87.A O no hydrogen 3.438 N/A LEU 93.A N ILE 90.A O no hydrogen 3.041 N/A ASP 96.A N ASN 94.A OD1 no hydrogen 2.822 N/A LYS 98.A N GLY 109.A O no hydrogen 2.817 N/A ILE 100.A N CYS 107.A O no hydrogen 3.100 N/A ASN 101.A N GLU 99.A OE2 no hydrogen 3.349 N/A ILE 103.A N ILE 100.A O no hydrogen 3.064 N/A CYS 104.A N ILE 100.A O no hydrogen 3.157 N/A GLY 106.A N ASN 101.A OD1 no hydrogen 2.964 N/A CYS 107.A N CYS 104.A O no hydrogen 3.325 N/A CYS 107.A SG SER 105.A O no hydrogen 3.796 N/A ARG 108.A N ASN 178.A OD1 no hydrogen 2.995 N/A GLY 109.A N LYS 98.A O no hydrogen 3.051 N/A HIS 110.A N VAL 176.A O no hydrogen 3.027 N/A HIS 110.A NE2 ASN 94.A O no hydrogen 2.808 N/A ASP 111.A N ASP 96.A O no hydrogen 2.730 N/A PHE 113.A N HIS 110.A ND1 no hydrogen 2.916 N/A THR 114.A N HIS 110.A O no hydrogen 3.184 N/A SER 115.A N ASP 111.A O no hydrogen 3.000 N/A SER 115.A OG ASP 111.A O no hydrogen 2.788 N/A SER 115.A OG ASP 111.A OD1 no hydrogen 2.905 N/A SER 116.A N GLY 112.A O no hydrogen 3.027 N/A TRP 117.A N PHE 113.A O no hydrogen 3.130 N/A TRP 117.A NE1 ASP 158.A OD2 no hydrogen 3.087 N/A ARG 118.A N THR 114.A O no hydrogen 3.090 N/A ARG 118.A NH2 ASP 158.A OD2 no hydrogen 2.720 N/A SER 119.A N SER 115.A O no hydrogen 3.221 N/A SER 119.A OG SER 115.A O no hydrogen 3.513 N/A VAL 120.A N TRP 117.A O no hydrogen 3.240 N/A LEU 124.A N VAL 120.A O no hydrogen 2.826 N/A ARG 125.A N ALA 121.A O no hydrogen 2.765 N/A ARG 125.A NH1 GLU 129.A OE2 no hydrogen 3.369 N/A GLN 126.A N ASP 122.A O no hydrogen 3.234 N/A GLN 126.A NE2 ASP 130.A OD2 no hydrogen 3.012 N/A LYS 127.A N THR 123.A O no hydrogen 3.330 N/A VAL 128.A N LEU 124.A O no hydrogen 3.046 N/A GLU 129.A N ARG 125.A O no hydrogen 2.950 N/A ASP 130.A N GLN 126.A O no hydrogen 2.928 N/A ALA 131.A N LYS 127.A O no hydrogen 3.240 N/A VAL 132.A N VAL 128.A O no hydrogen 3.014 N/A ARG 133.A N GLU 129.A O no hydrogen 3.005 N/A ARG 133.A NH1 GLU 134.A OE1 no hydrogen 2.776 N/A GLU 134.A N ASP 130.A O no hydrogen 2.996 N/A HIS 135.A N ALA 131.A O no hydrogen 2.753 N/A TYR 138.A N HIS 135.A O no hydrogen 2.957 N/A TYR 138.A OH ASN 71.A OD1 no hydrogen 2.786 N/A ARG 139.A N LYS 74.A O no hydrogen 2.936 N/A ARG 139.A NH1 GLN 9.A OE1 no hydrogen 3.355 N/A ARG 139.A NH2 GLN 9.A OE1 no hydrogen 3.041 N/A ARG 139.A NH2 ASP 167.A OD2 no hydrogen 2.917 N/A VAL 141.A N ILE 76.A O no hydrogen 3.034 N/A PHE 142.A N ASP 167.A O no hydrogen 2.649 N/A THR 143.A N LEU 78.A O no hydrogen 2.869 N/A THR 143.A OG1 PHE 13.A O no hydrogen 3.406 N/A THR 143.A OG1 SER 17.A OG no hydrogen 3.007 N/A THR 143.A OG1 PHE 169.A O no hydrogen 2.763 N/A GLY 144.A N PHE 169.A O no hydrogen 3.140 N/A HIS 145.A ND1 TYR 21.A OH no hydrogen 2.461 N/A HIS 145.A NE2 HIS 258.A O no hydrogen 2.957 N/A SER 146.A N TYR 171.A O no hydrogen 2.754 N/A SER 146.A OG HIS 258.A NE2 no hydrogen 2.753 N/A GLY 148.A N HIS 145.A O no hydrogen 2.650 N/A GLY 149.A N HIS 145.A O no hydrogen 3.281 N/A GLY 149.A N SER 146.A O no hydrogen 2.834 N/A ALA 150.A N SER 146.A O no hydrogen 3.408 N/A LEU 151.A N LEU 147.A O no hydrogen 3.127 N/A ALA 152.A N GLY 148.A O no hydrogen 2.931 N/A THR 153.A N GLY 149.A O no hydrogen 3.036 N/A THR 153.A OG1 GLY 149.A O no hydrogen 2.686 N/A VAL 154.A N ALA 150.A O no hydrogen 2.949 N/A ALA 155.A N LEU 151.A O no hydrogen 2.886 N/A GLY 156.A N ALA 152.A O no hydrogen 2.870 N/A ALA 157.A N THR 153.A O no hydrogen 3.078 N/A ASP 158.A N VAL 154.A O no hydrogen 3.139 N/A LEU 159.A N ALA 155.A O no hydrogen 3.082 N/A ARG 160.A N GLY 156.A O no hydrogen 3.018 N/A ARG 160.A NE ILE 166.A O no hydrogen 3.212 N/A ARG 160.A NH2 ILE 166.A O no hydrogen 3.333 N/A TYR 164.A OH GLU 129.A OE2 no hydrogen 3.252 N/A ILE 166.A N GLY 190.A O no hydrogen 2.978 N/A ASP 167.A N VAL 140.A O no hydrogen 2.876 N/A VAL 168.A N THR 192.A O no hydrogen 2.920 N/A PHE 169.A N PHE 142.A O no hydrogen 2.794 N/A SER 170.A N TYR 194.A O no hydrogen 3.162 N/A TYR 171.A N GLY 144.A O no hydrogen 2.961 N/A TYR 171.A OH PHE 10.A O no hydrogen 2.703 N/A GLY 172.A N ILE 196.A O no hydrogen 3.236 N/A ARG 175.A N LEU 206.A O no hydrogen 2.935 N/A ARG 175.A NE PRO 207.A O no hydrogen 3.650 N/A ARG 175.A NH2 PRO 207.A O no hydrogen 3.194 N/A ASN 178.A N ARG 108.A O no hydrogen 2.944 N/A ASN 178.A ND2 GLY 106.A O no hydrogen 2.959 N/A ARG 179.A NE SER 214.A OG no hydrogen 3.371 N/A ARG 179.A NH1 GLU 183.A OE2 no hydrogen 3.413 N/A PHE 181.A N ASN 178.A OD1 no hydrogen 3.012 N/A ALA 182.A N ASN 178.A O no hydrogen 3.068 N/A GLU 183.A N ARG 179.A O no hydrogen 2.882 N/A PHE 184.A N ALA 180.A O no hydrogen 3.022 N/A LEU 185.A N PHE 181.A O no hydrogen 2.867 N/A THR 186.A N GLU 183.A O no hydrogen 2.992 N/A THR 186.A OG1 ALA 182.A O no hydrogen 2.624 N/A THR 186.A OG1 SER 217.A O no hydrogen 3.530 N/A VAL 187.A N GLU 183.A O no hydrogen 3.119 N/A VAL 187.A N PHE 184.A O no hydrogen 3.148 N/A GLN 188.A NE2 ALA 157.A O no hydrogen 3.123 N/A THR 192.A N ASP 167.A OD1 no hydrogen 2.704 N/A TYR 194.A N VAL 168.A O no hydrogen 2.844 N/A ARG 195.A NH1 SER 216.A O no hydrogen 2.668 N/A ILE 196.A N SER 170.A O no hydrogen 2.884 N/A THR 197.A N TYR 220.A O no hydrogen 2.778 N/A THR 197.A OG1 GLU 219.A OE2 no hydrogen 2.721 N/A HIS 198.A ND1 ALA 257.A O no hydrogen 2.491 N/A HIS 198.A NE2 SER 224.A O no hydrogen 2.774 N/A THR 199.A N ILE 222.A O no hydrogen 2.861 N/A ASN 200.A ND2 ILE 252.A O no hydrogen 2.857 N/A ASP 201.A N HIS 198.A O no hydrogen 3.158 N/A VAL 203.A N ASP 201.A OD1 no hydrogen 3.020 N/A ARG 205.A N ILE 202.A O no hydrogen 2.980 N/A ARG 205.A NH1 ASN 247.A O no hydrogen 2.575 N/A ARG 205.A NH1 ASN 251.A OD1 no hydrogen 3.432 N/A ARG 205.A NH2 ASN 251.A OD1 no hydrogen 2.762 N/A LEU 206.A N VAL 203.A O no hydrogen 2.843 N/A ARG 209.A NH1 TYR 213.A O no hydrogen 3.185 N/A GLU 210.A N GLU 210.A OE2 no hydrogen 2.751 N/A PHE 211.A N PRO 208.A O no hydrogen 3.031 N/A GLY 212.A N ARG 209.A O no hydrogen 2.774 N/A TYR 213.A N ARG 209.A O no hydrogen 3.054 N/A TYR 213.A OH PHE 95.A O no hydrogen 2.803 N/A SER 214.A N GLY 177.A O no hydrogen 3.005 N/A SER 214.A OG ASP 242.A OD1 no hydrogen 3.456 N/A SER 214.A OG ASP 242.A OD2 no hydrogen 2.718 N/A HIS 215.A N ASP 242.A OD1 no hydrogen 3.014 N/A HIS 215.A NE2 PRO 204.A O no hydrogen 2.620 N/A SER 217.A N THR 186.A OG1 no hydrogen 3.113 N/A GLU 219.A N ILE 238.A O no hydrogen 3.015 N/A TYR 220.A N ARG 195.A O no hydrogen 2.935 N/A TRP 221.A N VAL 236.A O no hydrogen 2.909 N/A TRP 221.A NE1 THR 199.A O no hydrogen 3.100 N/A ILE 222.A N THR 197.A O no hydrogen 3.008 N/A LYS 223.A N ASP 234.A O no hydrogen 2.779 N/A VAL 228.A N GLY 225.A O no hydrogen 3.154 N/A THR 231.A N ASP 234.A OD2 no hydrogen 3.100 N/A THR 231.A OG1 ASP 234.A OD2 no hydrogen 2.848 N/A ARG 232.A NE VAL 2.A O no hydrogen 3.069 N/A ARG 232.A NH2 VAL 2.A O no hydrogen 3.296 N/A ASN 233.A N THR 231.A OG1 no hydrogen 3.287 N/A ASP 234.A N THR 231.A O no hydrogen 3.098 N/A VAL 236.A N TRP 221.A O no hydrogen 2.981 N/A LYS 237.A NZ TYR 220.A OH no hydrogen 3.397 N/A ILE 238.A N GLU 219.A O no hydrogen 2.635 N/A GLY 240.A N SER 217.A OG no hydrogen 2.712 N/A ALA 243.A N GLY 240.A O no hydrogen 3.246 N/A ASN 247.A N GLU 219.A OE2 no hydrogen 2.747 N/A ASN 247.A ND2 THR 199.A O no hydrogen 3.223 N/A ASN 247.A ND2 ASP 201.A O no hydrogen 2.984 N/A ASN 248.A ND2 ASP 242.A O no hydrogen 3.431 N/A ASN 248.A ND2 ALA 243.A O no hydrogen 3.179 N/A GLN 249.A N ASN 247.A O no hydrogen 3.037 N/A GLN 249.A NE2 GLY 246.A O no hydrogen 2.727 N/A ASN 251.A N GLN 249.A O no hydrogen 2.996 N/A ASP 254.A N ASN 200.A O no hydrogen 2.825 N/A HIS 258.A N ILE 255.A O no hydrogen 2.885 N/A HIS 258.A ND1 ASP 201.A OD2 no hydrogen 2.771 N/A HIS 258.A NE2 SER 146.A OG no hydrogen 2.753 N/A LEU 259.A N PRO 256.A O no hydrogen 3.030 N/A TRP 260.A NE1 VAL 228.A O no hydrogen 2.849 N/A TYR 261.A N GLY 263.A O no hydrogen 3.142 N/A TYR 261.A OH ASP 201.A OD2 no hydrogen 2.742 N/A ILE 265.A N LEU 259.A O no hydrogen 3.041 N/A CYS 268.A SG THR 37.A O no hydrogen 3.629 N/A CYS 268.A SG THR 37.A OG1 no hydrogen 3.519 N/A