Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wds_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ALA 29.A O no hydrogen 2.922 N/A SER 5.A N ASP 3.A OD1 no hydrogen 2.867 N/A SER 5.A OG ASP 3.A OD1 no hydrogen 2.616 N/A SER 5.A OG ASP 3.A OD2 no hydrogen 3.374 N/A ARG 7.A N LEU 4.A O no hydrogen 2.981 N/A ARG 7.A NH1 ASP 238.A OD1 no hydrogen 2.919 N/A ARG 7.A NH2 ASP 238.A OD1 no hydrogen 3.454 N/A ARG 7.A NH2 ASP 238.A OD2 no hydrogen 3.040 N/A LYS 8.A N ASP 82.A OD2 no hydrogen 2.751 N/A LYS 8.A NZ GLY 6.A O no hydrogen 3.561 N/A ALA 9.A N THR 32.A O no hydrogen 2.917 N/A ILE 10.A N LEU 83.A O no hydrogen 2.816 N/A VAL 11.A N ALA 34.A O no hydrogen 2.926 N/A THR 12.A N CYS 85.A O no hydrogen 2.937 N/A GLY 13.A N ALA 36.A O no hydrogen 2.849 N/A SER 15.A N ASP 37.A OD2 no hydrogen 2.904 N/A SER 15.A OG ASP 39.A O no hydrogen 2.772 N/A LYS 16.A NZ ASP 39.A OD2 no hydrogen 3.078 N/A ALA 20.A N LYS 16.A O no hydrogen 3.199 N/A ALA 21.A N GLY 17.A O no hydrogen 3.146 N/A ILE 22.A N ILE 18.A O no hydrogen 2.782 N/A ALA 23.A N GLY 19.A O no hydrogen 2.977 N/A ARG 24.A N ALA 20.A O no hydrogen 2.966 N/A ALA 25.A N ALA 21.A O no hydrogen 2.901 N/A LEU 26.A N ILE 22.A O no hydrogen 2.868 N/A ASP 27.A N ALA 23.A O no hydrogen 3.009 N/A LYS 28.A N ARG 24.A O no hydrogen 2.935 N/A ALA 29.A N ALA 25.A O no hydrogen 2.930 N/A GLY 30.A N ASP 27.A O no hydrogen 2.779 N/A ALA 31.A N LEU 26.A O no hydrogen 2.947 N/A THR 32.A N ARG 7.A O no hydrogen 2.875 N/A THR 32.A OG1 ASN 52.A O no hydrogen 3.299 N/A ALA 34.A N ALA 9.A O no hydrogen 2.803 N/A ILE 35.A N PHE 55.A O no hydrogen 2.721 N/A ALA 36.A N VAL 11.A O no hydrogen 3.019 N/A ASP 37.A N VAL 57.A O no hydrogen 3.129 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.801 N/A ALA 42.A N ASP 39.A OD1 no hydrogen 2.909 N/A ALA 43.A N ASP 39.A O no hydrogen 3.130 N/A GLN 44.A N VAL 40.A O no hydrogen 2.817 N/A ALA 45.A N MET 41.A O no hydrogen 3.168 N/A VAL 46.A N ALA 42.A O no hydrogen 3.158 N/A VAL 47.A N ALA 43.A O no hydrogen 2.928 N/A ALA 48.A N GLN 44.A O no hydrogen 2.834 N/A GLY 49.A N VAL 46.A O no hydrogen 3.032 N/A LEU 50.A N VAL 47.A O no hydrogen 3.035 N/A GLU 51.A N ASP 27.A OD2 no hydrogen 2.813 N/A ASN 52.A N ASP 27.A OD1 no hydrogen 2.874 N/A ASN 52.A ND2 ALA 31.A O no hydrogen 3.244 N/A PHE 55.A N VAL 33.A O no hydrogen 3.166 N/A VAL 57.A N ILE 35.A O no hydrogen 2.868 N/A VAL 59.A N ASP 37.A O no hydrogen 2.992 N/A ASP 60.A N SER 66.A OG no hydrogen 2.759 N/A THR 62.A N ASP 60.A OD1 no hydrogen 2.928 N/A THR 62.A OG1 ASP 60.A OD1 no hydrogen 2.702 N/A THR 62.A OG1 ASP 60.A OD2 no hydrogen 3.306 N/A LYS 63.A N ASP 60.A O no hydrogen 3.104 N/A LYS 63.A NZ ASP 60.A OD2 no hydrogen 3.021 N/A ARG 64.A NH1 GLN 120.A OE1 no hydrogen 2.949 N/A ARG 64.A NH2 GLN 120.A OE1 no hydrogen 2.922 N/A VAL 67.A N LYS 63.A O no hydrogen 2.925 N/A ASP 68.A N ARG 64.A O no hydrogen 2.893 N/A ALA 69.A N ALA 65.A O no hydrogen 3.184 N/A ALA 70.A N SER 66.A O no hydrogen 2.909 N/A MET 71.A N VAL 67.A O no hydrogen 2.909 N/A GLN 72.A N ASP 68.A O no hydrogen 3.078 N/A GLN 72.A NE2 GLN 72.A O no hydrogen 3.423 N/A GLN 72.A NE2 ASP 76.A OD1 no hydrogen 3.106 N/A GLN 72.A NE2 ASP 76.A OD2 no hydrogen 3.462 N/A LYS 73.A N ALA 69.A O no hydrogen 3.003 N/A ALA 74.A N ALA 70.A O no hydrogen 2.955 N/A ILE 75.A N MET 71.A O no hydrogen 2.892 N/A ASP 76.A N GLN 72.A O no hydrogen 2.858 N/A ALA 77.A N LYS 73.A O no hydrogen 2.947 N/A LEU 78.A N ALA 74.A O no hydrogen 2.772 N/A GLY 79.A N ILE 75.A O no hydrogen 2.823 N/A ASP 82.A N LYS 8.A O no hydrogen 2.788 N/A LEU 83.A N LYS 8.A O no hydrogen 3.164 N/A LEU 84.A N VAL 134.A O no hydrogen 2.936 N/A CYS 85.A N ILE 10.A O no hydrogen 2.777 N/A ALA 86.A N VAL 136.A O no hydrogen 2.960 N/A ASN 87.A N THR 12.A O no hydrogen 3.119 N/A ASN 87.A ND2 THR 138.A OG1 no hydrogen 2.766 N/A VAL 90.A N ASN 111.A OD1 no hydrogen 2.847 N/A SER 91.A OG GLU 194.A OE1 no hydrogen 2.619 N/A THR 92.A OG1 GLU 103.A OE2 no hydrogen 2.579 N/A THR 92.A OG1 HIS 152.A NE2 no hydrogen 2.794 N/A ARG 94.A N LEU 149.A O no hydrogen 2.909 N/A ARG 94.A NE MET 93.A O no hydrogen 3.488 N/A ASP 98.A N PRO 95.A O no hydrogen 2.874 N/A ILE 99.A N ALA 96.A O no hydrogen 3.347 N/A THR 100.A N GLU 103.A OE1 no hydrogen 2.927 N/A THR 100.A OG1 GLU 103.A OE1 no hydrogen 3.428 N/A GLU 103.A N THR 100.A OG1 no hydrogen 3.034 N/A TRP 104.A N THR 100.A O no hydrogen 2.949 N/A ASP 105.A N ASP 101.A O no hydrogen 2.875 N/A PHE 106.A N GLU 102.A O no hydrogen 2.937 N/A ASN 107.A N GLU 103.A O no hydrogen 3.095 N/A ASN 107.A ND2 GLU 103.A O no hydrogen 2.951 N/A PHE 108.A N TRP 104.A O no hydrogen 2.916 N/A ASP 109.A N ASP 105.A O no hydrogen 2.762 N/A VAL 110.A N PHE 106.A O no hydrogen 3.154 N/A ASN 111.A N ASN 107.A O no hydrogen 2.902 N/A ASN 111.A ND2 VAL 90.A O no hydrogen 2.965 N/A ASN 111.A ND2 SER 156.A OG no hydrogen 3.036 N/A ALA 112.A N PHE 108.A O no hydrogen 2.849 N/A ARG 113.A N PHE 108.A O no hydrogen 2.826 N/A ARG 113.A NE ASP 109.A OD1 no hydrogen 3.010 N/A ARG 113.A NH2 ASP 109.A OD1 no hydrogen 2.866 N/A PHE 116.A N ALA 112.A O no hydrogen 2.848 N/A LEU 117.A N ARG 113.A O no hydrogen 2.882 N/A ALA 118.A N GLY 114.A O no hydrogen 3.115 N/A ASN 119.A N VAL 115.A O no hydrogen 2.830 N/A ASN 119.A ND2 ASN 137.A OD1 no hydrogen 2.928 N/A GLN 120.A N PHE 116.A O no hydrogen 2.716 N/A ILE 121.A N LEU 117.A O no hydrogen 3.056 N/A ALA 122.A N ALA 118.A O no hydrogen 2.911 N/A CYS 123.A N ASN 119.A O no hydrogen 2.923 N/A CYS 123.A SG ASN 119.A O no hydrogen 3.419 N/A ARG 124.A N GLN 120.A O no hydrogen 3.081 N/A HIS 125.A N ILE 121.A O no hydrogen 3.104 N/A HIS 125.A ND1 ILE 121.A O no hydrogen 3.213 N/A HIS 125.A NE2 GLN 72.A OE1 no hydrogen 3.250 N/A PHE 126.A N ALA 122.A O no hydrogen 2.929 N/A LEU 127.A N CYS 123.A O no hydrogen 2.840 N/A ALA 128.A N ARG 124.A O no hydrogen 3.069 N/A SER 129.A N HIS 125.A O no hydrogen 3.104 N/A SER 129.A OG HIS 125.A O no hydrogen 2.949 N/A SER 129.A OG THR 131.A OG1 no hydrogen 2.613 N/A ASN 130.A N LEU 127.A O no hydrogen 3.292 N/A THR 131.A N PHE 126.A O no hydrogen 2.965 N/A THR 131.A OG1 SER 129.A OG no hydrogen 2.613 N/A LYS 132.A NZ ASP 238.A OD1 no hydrogen 3.412 N/A LYS 132.A NZ ASP 238.A OD2 no hydrogen 3.526 N/A VAL 134.A N ASP 82.A O no hydrogen 3.095 N/A ILE 135.A N ARG 177.A O no hydrogen 2.797 N/A VAL 136.A N LEU 84.A O no hydrogen 2.929 N/A ASN 137.A N ASN 179.A O no hydrogen 2.851 N/A ASN 137.A ND2 ASN 119.A OD1 no hydrogen 2.959 N/A ASN 137.A ND2 THR 164.A OG1 no hydrogen 2.979 N/A THR 138.A N ALA 86.A O no hydrogen 2.984 N/A ALA 139.A N VAL 181.A O no hydrogen 2.761 N/A LEU 141.A N PRO 183.A O no hydrogen 2.880 N/A ALA 142.A N SER 140.A OG no hydrogen 2.883 N/A ALA 143.A N SER 140.A O no hydrogen 2.849 N/A LYS 144.A N LEU 141.A O no hydrogen 2.902 N/A LYS 144.A NZ GLY 247.A O no hydrogen 2.758 N/A LYS 144.A NZ ASN 249.A OD1 no hydrogen 2.862 N/A LYS 144.A NZ ASP 257.A OD2 no hydrogen 2.955 N/A VAL 145.A N LEU 141.A O no hydrogen 3.069 N/A ALA 147.A N SER 154.A OG no hydrogen 3.006 N/A LEU 150.A N ALA 147.A O no hydrogen 3.014 N/A HIS 152.A NE2 THR 92.A OG1 no hydrogen 2.794 N/A SER 154.A N LEU 150.A O no hydrogen 2.745 N/A SER 154.A OG LEU 150.A O no hydrogen 2.804 N/A ALA 155.A N ALA 151.A O no hydrogen 2.973 N/A SER 156.A N HIS 152.A O no hydrogen 2.974 N/A SER 156.A OG TYR 153.A O no hydrogen 2.628 N/A LYS 157.A N TYR 153.A O no hydrogen 2.903 N/A LYS 157.A NZ THR 138.A O no hydrogen 2.947 N/A LYS 157.A NZ ALA 139.A O no hydrogen 3.262 N/A PHE 158.A N SER 154.A O no hydrogen 2.807 N/A ALA 159.A N ALA 155.A O no hydrogen 2.985 N/A VAL 160.A N SER 156.A O no hydrogen 3.277 N/A PHE 161.A N LYS 157.A O no hydrogen 3.193 N/A GLY 162.A N PHE 158.A O no hydrogen 2.943 N/A TRP 163.A N ALA 159.A O no hydrogen 2.864 N/A TRP 163.A NE1 ASN 119.A OD1 no hydrogen 2.892 N/A THR 164.A N VAL 160.A O no hydrogen 2.876 N/A THR 164.A OG1 VAL 160.A O no hydrogen 2.779 N/A GLN 165.A N PHE 161.A O no hydrogen 2.971 N/A ALA 166.A N GLY 162.A O no hydrogen 3.040 N/A LEU 167.A N TRP 163.A O no hydrogen 2.879 N/A ALA 168.A N THR 164.A O no hydrogen 2.909 N/A ARG 169.A N GLN 165.A O no hydrogen 3.173 N/A GLU 170.A N ALA 166.A O no hydrogen 3.176 N/A MET 171.A N LEU 167.A O no hydrogen 2.845 N/A ALA 172.A N ALA 168.A O no hydrogen 2.940 N/A LYS 174.A N MET 171.A O no hydrogen 3.001 N/A ASN 175.A N ALA 172.A O no hydrogen 3.096 N/A ILE 176.A N MET 171.A O no hydrogen 3.365 N/A ARG 177.A N GLY 133.A O no hydrogen 3.088 N/A ARG 177.A NH1 LEU 235.A O no hydrogen 3.074 N/A ARG 177.A NH1 MET 243.A O no hydrogen 3.291 N/A ARG 177.A NH2 LEU 235.A O no hydrogen 2.927 N/A VAL 178.A N THR 244.A OG1 no hydrogen 3.033 N/A ASN 179.A N ILE 135.A O no hydrogen 3.044 N/A ASN 179.A ND2 MET 243.A O no hydrogen 2.985 N/A CYS 180.A N GLN 246.A O no hydrogen 2.792 N/A CYS 180.A SG GLN 246.A O no hydrogen 3.514 N/A VAL 181.A N ASN 137.A O no hydrogen 2.953 N/A CYS 182.A N ILE 248.A O no hydrogen 2.747 N/A CYS 182.A SG SER 140.A O no hydrogen 3.429 N/A GLY 184.A N GLU 223.A OE1 no hydrogen 2.838 N/A GLY 184.A N VAL 250.A O no hydrogen 3.129 N/A LYS 187.A N GLU 223.A O no hydrogen 2.810 N/A GLN 191.A N THR 188.A OG1 no hydrogen 3.375 N/A GLU 192.A N THR 188.A O no hydrogen 3.081 N/A ARG 193.A N ALA 189.A O no hydrogen 2.906 N/A GLU 194.A N MET 190.A O no hydrogen 2.976 N/A ILE 195.A N GLN 191.A O no hydrogen 2.815 N/A TRP 197.A N ARG 193.A O no hydrogen 3.070 N/A GLU 198.A N GLU 194.A O no hydrogen 2.740 N/A ALA 199.A N ILE 195.A O no hydrogen 2.893 N/A GLU 200.A N ILE 196.A O no hydrogen 2.974 N/A LEU 201.A N TRP 197.A O no hydrogen 2.959 N/A ARG 202.A N GLU 198.A O no hydrogen 2.836 N/A ARG 202.A NH1 GLU 198.A OE2 no hydrogen 2.840 N/A ARG 202.A NH1 GLU 212.A OE1 no hydrogen 3.028 N/A ARG 202.A NH2 GLU 212.A OE1 no hydrogen 3.208 N/A ARG 202.A NH2 GLU 212.A OE2 no hydrogen 3.144 N/A MET 204.A N ALA 199.A O no hydrogen 2.965 N/A ALA 208.A N THR 205.A OG1 no hydrogen 2.992 N/A VAL 209.A N THR 205.A O no hydrogen 3.067 N/A ARG 210.A N PRO 206.A O no hydrogen 2.921 N/A ARG 210.A NH1 GLN 191.A OE1 no hydrogen 2.970 N/A ARG 210.A NH1 GLU 192.A OE1 no hydrogen 3.528 N/A ARG 210.A NH1 GLU 192.A OE2 no hydrogen 3.037 N/A ARG 210.A NH2 GLU 192.A OE1 no hydrogen 2.925 N/A ALA 211.A N GLU 207.A O no hydrogen 2.803 N/A GLU 212.A N ALA 208.A O no hydrogen 2.954 N/A TYR 213.A N VAL 209.A O no hydrogen 3.092 N/A TYR 213.A OH GLU 198.A OE1 no hydrogen 2.518 N/A VAL 214.A N ARG 210.A O no hydrogen 3.118 N/A SER 215.A N ALA 211.A O no hydrogen 2.857 N/A SER 215.A OG ALA 211.A O no hydrogen 3.116 N/A LEU 216.A N GLU 212.A O no hydrogen 3.042 N/A THR 217.A N VAL 214.A O no hydrogen 2.946 N/A THR 217.A OG1 TYR 213.A O no hydrogen 2.817 N/A LEU 219.A N GLY 252.A O no hydrogen 2.980 N/A GLY 220.A N THR 217.A O no hydrogen 2.820 N/A ARG 221.A NH1 ILE 222.A O no hydrogen 3.241 N/A ARG 221.A NH1 ASP 227.A OD2 no hydrogen 2.809 N/A ARG 221.A NH2 ASP 227.A OD1 no hydrogen 2.968 N/A ARG 221.A NH2 ASP 227.A OD2 no hydrogen 3.415 N/A GLU 223.A N PHE 185.A O no hydrogen 3.000 N/A GLU 224.A N ASP 227.A OD2 no hydrogen 2.829 N/A ASP 227.A N GLU 224.A O no hydrogen 2.999 N/A VAL 228.A N PRO 225.A O no hydrogen 3.153 N/A ALA 229.A N PRO 225.A O no hydrogen 2.958 N/A ASP 230.A N GLU 226.A O no hydrogen 3.127 N/A VAL 232.A N VAL 228.A O no hydrogen 3.044 N/A VAL 233.A N ALA 229.A O no hydrogen 2.935 N/A PHE 234.A N ASP 230.A O no hydrogen 3.150 N/A LEU 235.A N VAL 231.A O no hydrogen 2.853 N/A ALA 236.A N VAL 232.A O no hydrogen 2.896 N/A SER 237.A N VAL 233.A O no hydrogen 3.105 N/A SER 237.A N PHE 234.A O no hydrogen 3.054 N/A SER 237.A OG PHE 234.A O no hydrogen 2.740 N/A ALA 239.A N SER 237.A OG no hydrogen 3.217 N/A ALA 240.A N SER 237.A O no hydrogen 3.062 N/A ARG 241.A N ASP 238.A O no hydrogen 3.110 N/A ARG 241.A NH2 ASP 238.A O no hydrogen 2.887 N/A MET 243.A N ALA 240.A O no hydrogen 3.014 N/A THR 244.A OG1 VAL 178.A O no hydrogen 3.412 N/A GLY 245.A N VAL 178.A O no hydrogen 2.744 N/A GLN 246.A N ASN 179.A OD1 no hydrogen 2.927 N/A GLN 246.A NE2 THR 244.A O no hydrogen 2.982 N/A ILE 248.A N CYS 180.A O no hydrogen 2.917 N/A ASN 249.A ND2 ASP 257.A OD2 no hydrogen 2.923 N/A VAL 250.A N CYS 182.A O no hydrogen 3.040 N/A THR 251.A OG1 ARG 255.A O no hydrogen 3.547 N/A ARG 255.A N THR 251.A OG1 no hydrogen 3.134 N/A ARG 255.A NE ASP 257.A OD2 no hydrogen 2.895 N/A ARG 255.A NH2 ASP 257.A OD1 no hydrogen 2.938 N/A