Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wdf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A NE1 THR 46.A O no hydrogen 2.851 N/A GLN 5.A NE2 ASP 9.A OD1 no hydrogen 2.895 N/A ILE 6.A N GLU 2.A O no hydrogen 3.270 N/A PHE 7.A N TRP 3.A O no hydrogen 2.775 N/A HIS 8.A N SER 4.A O no hydrogen 3.032 N/A ASP 9.A N GLN 5.A O no hydrogen 2.840 N/A ILE 10.A N ILE 6.A O no hydrogen 2.941 N/A THR 11.A N PHE 7.A O no hydrogen 2.995 N/A THR 11.A OG1 PHE 7.A O no hydrogen 3.050 N/A THR 11.A OG1 HIS 8.A O no hydrogen 3.245 N/A THR 12.A N HIS 8.A O no hydrogen 2.985 N/A THR 12.A OG1 HIS 8.A O no hydrogen 2.720 N/A LYS 13.A N ASP 9.A O no hydrogen 3.131 N/A LYS 13.A N ILE 10.A O no hydrogen 3.255 N/A LYS 13.A NZ GLU 140.A OE2 no hydrogen 2.890 N/A HIS 14.A N ILE 10.A O no hydrogen 3.068 N/A LYS 17.A N ASP 15.A OD1 no hydrogen 3.077 N/A LYS 17.A NZ ASP 21.A OD1 no hydrogen 3.352 N/A LYS 17.A NZ ASP 21.A OD2 no hydrogen 3.294 N/A HIS 20.A N PHE 16.A O no hydrogen 2.834 N/A ASP 21.A N LYS 17.A O no hydrogen 2.955 N/A PHE 22.A N ALA 18.A O no hydrogen 2.991 N/A LEU 23.A N MET 19.A O no hydrogen 2.895 N/A GLU 24.A N HIS 20.A O no hydrogen 2.927 N/A LYS 25.A N ASP 21.A O no hydrogen 3.041 N/A LYS 25.A NZ GLU 26.A OE2 no hydrogen 3.115 N/A GLU 26.A N PHE 22.A O no hydrogen 2.784 N/A TYR 27.A N LEU 23.A O no hydrogen 2.822 N/A TYR 27.A OH PRO 34.A O no hydrogen 2.684 N/A SER 28.A N GLU 24.A O no hydrogen 3.229 N/A SER 28.A N LYS 25.A O no hydrogen 3.111 N/A SER 28.A OG GLU 24.A O no hydrogen 3.061 N/A SER 28.A OG LYS 25.A O no hydrogen 3.001 N/A THR 29.A N GLU 26.A O no hydrogen 3.269 N/A ALA 30.A N GLU 26.A O no hydrogen 2.785 N/A TYR 33.A N VAL 121.A O no hydrogen 2.779 N/A ARG 36.A NH1 GLU 24.A OE2 no hydrogen 2.714 N/A ARG 36.A NH2 GLU 24.A OE2 no hydrogen 2.751 N/A ASN 38.A N ASP 35.A O no hydrogen 2.865 N/A ILE 39.A N ARG 36.A O no hydrogen 3.271 N/A GLN 41.A N ASN 38.A O no hydrogen 2.995 N/A ALA 42.A N GLY 69.A O no hydrogen 3.105 N/A PHE 43.A N TYR 40.A O no hydrogen 2.969 N/A ASP 44.A N TYR 40.A O no hydrogen 3.004 N/A LEU 45.A N GLN 41.A O no hydrogen 2.876 N/A THR 46.A N ALA 42.A O no hydrogen 3.089 N/A THR 46.A OG1 ALA 42.A O no hydrogen 3.359 N/A THR 46.A OG1 ALA 108.A O no hydrogen 2.840 N/A THR 46.A OG1 VAL 112.A O no hydrogen 3.328 N/A ASN 50.A N PRO 47.A O no hydrogen 2.814 N/A ILE 51.A N PHE 48.A O no hydrogen 3.219 N/A LYS 52.A N GLY 111.A O no hydrogen 2.792 N/A LYS 52.A NZ SER 209.A O no hydrogen 2.755 N/A LYS 52.A NZ SER 209.A OG no hydrogen 2.849 N/A VAL 53.A N GLY 111.A O no hydrogen 3.101 N/A VAL 54.A N VAL 153.A O no hydrogen 2.764 N/A ILE 55.A N LEU 113.A O no hydrogen 2.930 N/A GLY 57.A N LEU 115.A O no hydrogen 2.836 N/A TYR 61.A OH PHE 72.A O no hydrogen 3.283 N/A GLY 63.A N GLN 66.A OE1 no hydrogen 3.014 N/A GLN 66.A N GLY 63.A O no hydrogen 3.141 N/A GLN 66.A NE2 LYS 79.A O no hydrogen 2.902 N/A ALA 71.A N LEU 114.A O no hydrogen 2.908 N/A SER 73.A N LEU 70.A O no hydrogen 3.387 N/A VAL 74.A N PRO 102.A O no hydrogen 3.320 N/A GLN 75.A N GLN 66.A O no hydrogen 3.119 N/A GLN 75.A NE2 ALA 67.A O no hydrogen 3.176 N/A ARG 85.A N PRO 81.A O no hydrogen 2.996 N/A ASN 86.A N PRO 82.A O no hydrogen 2.971 N/A ASN 86.A ND2 PRO 181.A O no hydrogen 2.875 N/A MET 87.A N SER 83.A O no hydrogen 2.808 N/A TYR 88.A N LEU 84.A O no hydrogen 2.906 N/A TYR 88.A OH THR 101.A O no hydrogen 2.661 N/A LYS 89.A N ARG 85.A O no hydrogen 2.847 N/A LYS 89.A NZ ASN 86.A OD1 no hydrogen 2.852 N/A GLU 90.A N ASN 86.A O no hydrogen 2.885 N/A LEU 91.A N MET 87.A O no hydrogen 2.897 N/A ALA 92.A N TYR 88.A O no hydrogen 2.999 N/A ASP 93.A N LYS 89.A O no hydrogen 3.065 N/A ASP 94.A N GLU 90.A O no hydrogen 2.756 N/A ASP 94.A N LEU 91.A O no hydrogen 3.225 N/A ILE 95.A N LEU 91.A O no hydrogen 2.876 N/A GLY 96.A N LEU 91.A O no hydrogen 3.075 N/A ARG 99.A NE TYR 88.A OH no hydrogen 3.076 N/A ARG 99.A NH1 ASP 106.A OD2 no hydrogen 2.906 N/A ARG 99.A NH1 TRP 213.A O no hydrogen 3.184 N/A ARG 99.A NH2 HIS 103.A O no hydrogen 3.025 N/A ARG 99.A NH2 ASP 106.A OD2 no hydrogen 3.170 N/A GLN 100.A N GLU 215.A OE2 no hydrogen 2.807 N/A GLN 100.A NE2 VAL 98.A O no hydrogen 2.734 N/A THR 101.A N GLU 215.A OE2 no hydrogen 2.940 N/A THR 101.A OG1 GLU 215.A OE1 no hydrogen 2.726 N/A THR 101.A OG1 GLU 215.A OE2 no hydrogen 3.364 N/A LEU 104.A N SER 73.A OG no hydrogen 2.781 N/A GLN 105.A N HIS 103.A ND1 no hydrogen 3.160 N/A TRP 107.A NE1 TRP 213.A O no hydrogen 2.819 N/A ALA 108.A N LEU 104.A O no hydrogen 3.081 N/A ARG 109.A N GLN 105.A O no hydrogen 2.870 N/A GLU 110.A N ASP 106.A O no hydrogen 2.994 N/A GLY 111.A N ALA 108.A O no hydrogen 2.963 N/A VAL 112.A N TRP 107.A O no hydrogen 2.923 N/A LEU 113.A N VAL 53.A O no hydrogen 2.773 N/A LEU 115.A N ILE 55.A O no hydrogen 2.992 N/A THR 117.A N GLY 57.A O no hydrogen 3.313 N/A THR 117.A N GLN 58.A O no hydrogen 2.907 N/A THR 117.A OG1 GLY 57.A O no hydrogen 3.409 N/A THR 117.A OG1 GLN 58.A O no hydrogen 3.555 N/A VAL 118.A N GLN 58.A O no hydrogen 3.179 N/A THR 120.A OG1 HIS 129.A ND1 no hydrogen 2.659 N/A VAL 121.A N TYR 33.A O no hydrogen 2.975 N/A ARG 122.A N SER 128.A OG no hydrogen 2.876 N/A ARG 122.A NE GLU 125.A OE2 no hydrogen 2.911 N/A ARG 122.A NH1 GLU 26.A OE1 no hydrogen 2.897 N/A ARG 122.A NH2 GLU 125.A OE1 no hydrogen 2.770 N/A GLN 123.A N ILE 31.A O no hydrogen 2.842 N/A GLN 123.A NE2 TYR 33.A OH no hydrogen 2.664 N/A GLY 124.A N HIS 62.A O no hydrogen 2.852 N/A GLU 125.A N ARG 122.A O no hydrogen 3.017 N/A ASN 127.A N ASP 59.A OD2 no hydrogen 2.714 N/A SER 128.A N GLU 125.A O no hydrogen 3.043 N/A SER 128.A OG GLU 125.A O no hydrogen 2.712 N/A HIS 129.A ND1 THR 120.A OG1 no hydrogen 2.659 N/A HIS 129.A NE2 GLU 26.A OE1 no hydrogen 2.740 N/A ARG 130.A N ASN 127.A O no hydrogen 3.088 N/A ASP 131.A N GLU 135.A OE1 no hydrogen 3.225 N/A ASP 131.A N GLU 135.A OE2 no hydrogen 2.821 N/A TRP 134.A NE1 THR 120.A OG1 no hydrogen 2.883 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.760 N/A PHE 137.A N GLY 133.A O no hydrogen 3.219 N/A THR 138.A N TRP 134.A O no hydrogen 2.832 N/A THR 138.A OG1 THR 117.A O no hydrogen 2.745 N/A THR 138.A OG1 TRP 134.A O no hydrogen 3.166 N/A ASP 139.A N GLU 135.A O no hydrogen 2.896 N/A GLU 140.A N THR 136.A O no hydrogen 3.123 N/A ILE 141.A N PHE 137.A O no hydrogen 2.891 N/A ILE 142.A N THR 138.A O no hydrogen 2.924 N/A LYS 143.A N ASP 139.A O no hydrogen 2.971 N/A LYS 143.A NZ ASP 147.A OD2 no hydrogen 2.869 N/A ALA 144.A N GLU 140.A O no hydrogen 2.881 N/A VAL 145.A N ILE 141.A O no hydrogen 2.922 N/A SER 146.A N ILE 142.A O no hydrogen 2.978 N/A ASP 147.A N LYS 143.A O no hydrogen 2.822 N/A TYR 148.A N ALA 144.A O no hydrogen 2.924 N/A LYS 149.A N VAL 145.A O no hydrogen 3.089 N/A LYS 149.A NZ GLU 49.A O no hydrogen 3.514 N/A LYS 149.A NZ ILE 51.A O no hydrogen 3.311 N/A HIS 151.A N LYS 172.A O no hydrogen 2.781 N/A VAL 152.A N HIS 173.A ND1 no hydrogen 3.011 N/A VAL 153.A N LYS 52.A O no hydrogen 2.961 N/A PHE 154.A N CYS 174.A O no hydrogen 2.745 N/A ILE 155.A N VAL 54.A O no hydrogen 2.779 N/A LEU 156.A N ILE 176.A O no hydrogen 2.761 N/A GLY 158.A N SER 178.A O no hydrogen 2.814 N/A GLN 162.A N GLY 158.A O no hydrogen 3.085 N/A GLN 162.A NE2 LEU 156.A O no hydrogen 3.304 N/A GLN 163.A N LYS 159.A O no hydrogen 3.093 N/A GLN 163.A N PRO 160.A O no hydrogen 3.096 N/A GLN 163.A NE2 LYS 159.A O no hydrogen 2.688 N/A LYS 164.A N ALA 161.A O no hydrogen 2.984 N/A LYS 164.A NZ ASP 139.A OD1 no hydrogen 2.843 N/A ILE 165.A N GLN 162.A O no hydrogen 3.063 N/A LEU 167.A N LYS 164.A O no hydrogen 2.923 N/A ILE 168.A N ILE 165.A O no hydrogen 2.983 N/A ASP 169.A N SER 146.A OG no hydrogen 2.824 N/A SER 171.A N ASP 169.A OD1 no hydrogen 2.925 N/A SER 171.A OG ASP 169.A OD1 no hydrogen 2.556 N/A LYS 172.A N ASP 169.A O no hydrogen 3.056 N/A LYS 172.A NZ SER 146.A O no hydrogen 2.992 N/A LYS 172.A NZ LYS 149.A O no hydrogen 3.021 N/A HIS 173.A NE2 SER 146.A O no hydrogen 2.851 N/A CYS 174.A N VAL 152.A O no hydrogen 2.952 N/A ILE 176.A N PHE 154.A O no hydrogen 2.876 N/A SER 178.A N LEU 156.A O no hydrogen 3.320 N/A SER 178.A OG VAL 179.A O no hydrogen 2.845 N/A HIS 180.A NE2 GLN 58.A OE1 no hydrogen 2.899 N/A SER 182.A N HIS 180.A ND1 no hydrogen 2.943 N/A LEU 184.A N SER 182.A OG no hydrogen 3.072 N/A SER 185.A N SER 182.A O no hydrogen 2.902 N/A SER 185.A OG HIS 180.A O no hydrogen 2.723 N/A SER 185.A OG SER 182.A O no hydrogen 3.500 N/A ALA 186.A N SER 182.A O no hydrogen 2.780 N/A ARG 188.A N SER 185.A O no hydrogen 3.042 N/A PHE 190.A N ALA 186.A O no hydrogen 3.052 N/A PHE 191.A N ALA 186.A O no hydrogen 3.051 N/A GLY 192.A N GLU 90.A OE1 no hydrogen 2.777 N/A SER 193.A N PHE 190.A O no hydrogen 2.991 N/A SER 193.A OG PHE 190.A O no hydrogen 2.624 N/A LYS 194.A N GLU 90.A OE2 no hydrogen 2.826 N/A TYR 196.A N ASP 94.A OD2 no hydrogen 3.156 N/A TYR 196.A OH MET 87.A O no hydrogen 2.849 N/A SER 197.A N ASP 94.A OD2 no hydrogen 2.952 N/A SER 197.A OG ASP 94.A OD1 no hydrogen 2.497 N/A SER 197.A OG ASP 94.A OD2 no hydrogen 3.340 N/A SER 197.A OG LYS 194.A O no hydrogen 3.558 N/A LYS 198.A N LYS 194.A O no hydrogen 3.034 N/A LYS 198.A NZ SER 193.A O no hydrogen 2.941 N/A ALA 199.A N PRO 195.A O no hydrogen 2.927 N/A ASN 200.A N TYR 196.A O no hydrogen 3.093 N/A ASN 200.A ND2 ILE 211.A O no hydrogen 3.045 N/A THR 201.A N SER 197.A O no hydrogen 2.889 N/A THR 201.A OG1 SER 197.A O no hydrogen 3.080 N/A TYR 202.A N LYS 198.A O no hydrogen 3.071 N/A LEU 203.A N ALA 199.A O no hydrogen 2.931 N/A GLU 204.A N ASN 200.A O no hydrogen 2.834 N/A SER 205.A N THR 201.A O no hydrogen 3.003 N/A SER 205.A OG TYR 202.A O no hydrogen 2.651 N/A VAL 206.A N TYR 202.A O no hydrogen 3.226 N/A VAL 206.A N LEU 203.A O no hydrogen 3.164 N/A GLY 207.A N GLU 204.A O no hydrogen 3.163 N/A LYS 208.A N LEU 203.A O no hydrogen 2.873 N/A LYS 208.A NZ GLU 150.A O no hydrogen 3.025 N/A LYS 208.A NZ HIS 151.A O no hydrogen 2.881 N/A ILE 211.A N ASN 200.A OD1 no hydrogen 2.809 N/A ASN 212.A N GLU 110.A OE1 no hydrogen 2.818 N/A TRP 213.A NE1 TYR 196.A O no hydrogen 3.176 N/A CYS 214.A N ASN 212.A OD1 no hydrogen 2.930 N/A