Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gws_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N GLU 1.A O no hydrogen 2.890 N/A SER 6.A N GLU 2.A O no hydrogen 3.184 N/A ILE 7.A N LEU 3.A O no hydrogen 3.210 N/A HIS 9.A N GLN 4.A O no hydrogen 3.183 N/A THR 14.A N GLU 17.A OE1 no hydrogen 2.969 N/A GLU 17.A N THR 14.A OG1 no hydrogen 3.093 N/A TRP 18.A N THR 14.A O no hydrogen 2.873 N/A GLU 19.A N ASP 15.A O no hydrogen 3.222 N/A LEU 20.A N GLU 16.A O no hydrogen 3.243 N/A ILE 21.A N GLU 17.A O no hydrogen 2.787 N/A LYS 22.A N TRP 18.A O no hydrogen 2.890 N/A LYS 22.A NZ GLU 26.A OE2 no hydrogen 2.824 N/A THR 23.A N GLU 19.A O no hydrogen 2.969 N/A THR 23.A OG1 GLU 19.A O no hydrogen 3.174 N/A VAL 24.A N LEU 20.A O no hydrogen 2.989 N/A THR 25.A N ILE 21.A O no hydrogen 2.971 N/A THR 25.A OG1 ILE 21.A O no hydrogen 2.671 N/A THR 25.A OG1 THR 154.A OG1 no hydrogen 2.769 N/A GLU 26.A N LYS 22.A O no hydrogen 2.978 N/A ALA 27.A N THR 23.A O no hydrogen 3.019 N/A HIS 28.A N VAL 24.A O no hydrogen 3.096 N/A VAL 29.A N THR 25.A O no hydrogen 2.920 N/A ALA 30.A N GLU 26.A O no hydrogen 2.969 N/A THR 31.A N HIS 28.A O no hydrogen 3.131 N/A THR 31.A OG1 ALA 27.A O no hydrogen 2.810 N/A THR 31.A OG1 HIS 28.A O no hydrogen 3.410 N/A ASN 32.A N VAL 29.A O no hydrogen 3.467 N/A GLY 35.A N ASN 32.A O no hydrogen 3.056 N/A HIS 37.A N GLN 34.A O no hydrogen 3.185 N/A ARG 42.A NH2 ASP 108.A OD2 no hydrogen 3.111 N/A LYS 43.A N GLU 119.A O no hydrogen 2.686 N/A LEU 45.A N ALA 121.A O no hydrogen 2.984 N/A ILE 49.A N PRO 46.A O no hydrogen 2.874 N/A ASP 52.A N ASN 129.A O no hydrogen 2.924 N/A ALA 55.A N ASP 52.A OD2 no hydrogen 2.871 N/A PHE 56.A N ASP 52.A O no hydrogen 3.052 N/A SER 57.A N LEU 53.A O no hydrogen 3.023 N/A HIS 58.A N GLU 54.A O no hydrogen 2.941 N/A HIS 58.A ND1 GLU 54.A O no hydrogen 2.760 N/A PHE 59.A N ALA 55.A O no hydrogen 3.112 N/A THR 60.A N PHE 56.A O no hydrogen 2.996 N/A THR 60.A OG1 PHE 56.A O no hydrogen 2.754 N/A THR 60.A OG1 SER 57.A O no hydrogen 3.241 N/A LYS 61.A N SER 57.A O no hydrogen 3.092 N/A ILE 62.A N PHE 59.A O no hydrogen 3.223 N/A ILE 67.A N ILE 63.A O no hydrogen 2.896 N/A THR 68.A N THR 64.A O no hydrogen 3.054 N/A THR 68.A OG1 PRO 65.A O no hydrogen 3.551 N/A ARG 69.A N PRO 65.A O no hydrogen 3.031 N/A ARG 69.A NE THR 31.A O no hydrogen 3.043 N/A ARG 69.A NH2 THR 31.A O no hydrogen 3.565 N/A VAL 70.A N ALA 66.A O no hydrogen 3.404 N/A VAL 70.A N ILE 67.A O no hydrogen 2.952 N/A VAL 71.A N ILE 67.A O no hydrogen 3.193 N/A ASP 72.A N THR 68.A O no hydrogen 2.765 N/A PHE 73.A N ARG 69.A O no hydrogen 2.948 N/A ALA 74.A N VAL 70.A O no hydrogen 3.123 N/A LYS 75.A N VAL 71.A O no hydrogen 2.929 N/A LYS 76.A N PHE 73.A O no hydrogen 3.225 N/A LEU 77.A N ALA 74.A O no hydrogen 2.948 N/A LEU 82.A N PHE 80.A O no hydrogen 3.320 N/A GLN 87.A N PRO 83.A O no hydrogen 2.978 N/A GLN 87.A NE2 PHE 80.A O no hydrogen 3.071 N/A ILE 88.A N CYS 84.A O no hydrogen 3.029 N/A ILE 89.A N GLU 85.A O no hydrogen 3.122 N/A LEU 90.A N ASP 86.A O no hydrogen 2.833 N/A LEU 91.A N GLN 87.A O no hydrogen 3.046 N/A LYS 92.A N ILE 88.A O no hydrogen 2.959 N/A LYS 92.A NZ GLU 241.A O no hydrogen 3.078 N/A LYS 92.A NZ VAL 242.A O no hydrogen 2.726 N/A GLY 93.A N ILE 89.A O no hydrogen 3.055 N/A CYS 94.A N LEU 90.A O no hydrogen 3.045 N/A CYS 94.A SG LEU 90.A O no hydrogen 3.367 N/A CYS 94.A SG LEU 91.A O no hydrogen 3.955 N/A CYS 95.A N LEU 91.A O no hydrogen 3.017 N/A ILE 98.A N CYS 94.A O no hydrogen 2.832 N/A MET 99.A N CYS 95.A O no hydrogen 3.021 N/A SER 100.A N MET 96.A O no hydrogen 2.840 N/A SER 100.A OG MET 96.A O no hydrogen 2.854 N/A LEU 101.A N GLU 97.A O no hydrogen 3.101 N/A ARG 102.A N ILE 98.A O no hydrogen 2.951 N/A ARG 102.A NE GLN 160.A OE1 no hydrogen 2.745 N/A ARG 102.A NH2 HIS 28.A ND1 no hydrogen 3.027 N/A ARG 102.A NH2 THR 31.A OG1 no hydrogen 3.052 N/A ALA 103.A N MET 99.A O no hydrogen 3.020 N/A ALA 104.A N SER 100.A O no hydrogen 2.767 N/A VAL 105.A N LEU 101.A O no hydrogen 2.866 N/A ARG 106.A N ALA 103.A O no hydrogen 3.137 N/A ARG 106.A NH1 GLY 35.A O no hydrogen 3.489 N/A ARG 106.A NH2 ALA 33.A O no hydrogen 2.650 N/A TYR 107.A N ALA 104.A O no hydrogen 3.086 N/A ASP 108.A N THR 113.A O no hydrogen 2.877 N/A GLU 110.A N ASP 108.A OD1 no hydrogen 3.103 N/A SER 111.A N ASP 108.A OD2 no hydrogen 3.091 N/A SER 111.A OG ASP 108.A OD2 no hydrogen 2.664 N/A SER 111.A OG THR 113.A OG1 no hydrogen 2.672 N/A THR 113.A N ASP 108.A O no hydrogen 3.302 N/A THR 113.A OG1 SER 111.A OG no hydrogen 2.672 N/A LEU 114.A N VAL 122.A O no hydrogen 2.973 N/A LEU 116.A N MET 120.A O no hydrogen 2.762 N/A ASN 117.A ND2 ILE 62.A O no hydrogen 3.080 N/A GLU 119.A N LEU 116.A O no hydrogen 3.111 N/A MET 120.A N LEU 116.A O no hydrogen 3.066 N/A ALA 121.A N LYS 43.A O no hydrogen 3.029 N/A VAL 122.A N LEU 114.A O no hydrogen 2.911 N/A THR 123.A N GLN 126.A OE1 no hydrogen 3.043 N/A ARG 124.A NH1 ASP 137.A OD2 no hydrogen 2.717 N/A ARG 124.A NH1 ASP 141.A OD1 no hydrogen 3.168 N/A ARG 124.A NH2 ASP 141.A OD1 no hydrogen 2.832 N/A GLN 126.A N THR 123.A OG1 no hydrogen 3.315 N/A GLN 126.A NE2 LEU 45.A O no hydrogen 3.035 N/A GLN 126.A NE2 ILE 49.A O no hydrogen 3.343 N/A LEU 127.A N THR 123.A O no hydrogen 3.128 N/A LYS 128.A N ARG 124.A O no hydrogen 2.966 N/A LYS 128.A NZ ASP 137.A OD1 no hydrogen 2.857 N/A ASN 129.A N GLY 125.A O no hydrogen 3.004 N/A ASN 129.A ND2 GLY 50.A O no hydrogen 2.905 N/A GLY 130.A N GLN 126.A O no hydrogen 3.075 N/A GLY 133.A N LYS 128.A O no hydrogen 2.968 N/A VAL 135.A N LEU 132.A O no hydrogen 3.021 N/A SER 136.A N GLY 133.A O no hydrogen 2.890 N/A SER 136.A OG ARG 124.A O no hydrogen 2.943 N/A ALA 138.A N VAL 134.A O no hydrogen 3.019 N/A ILE 139.A N VAL 135.A O no hydrogen 3.034 N/A PHE 140.A N SER 136.A O no hydrogen 2.931 N/A ASP 141.A N ASP 137.A O no hydrogen 2.860 N/A LEU 142.A N ALA 138.A O no hydrogen 3.047 N/A GLY 143.A N ILE 139.A O no hydrogen 2.918 N/A MET 144.A N PHE 140.A O no hydrogen 2.931 N/A SER 145.A N ASP 141.A O no hydrogen 3.021 N/A LEU 146.A N LEU 142.A O no hydrogen 2.784 N/A LEU 146.A N GLY 143.A O no hydrogen 3.154 N/A SER 147.A N GLY 143.A O no hydrogen 3.299 N/A SER 147.A OG MET 144.A O no hydrogen 2.791 N/A SER 148.A OG SER 145.A O no hydrogen 3.300 N/A PHE 149.A N LEU 146.A O no hydrogen 2.801 N/A ASP 152.A N GLU 155.A OE1 no hydrogen 2.873 N/A THR 154.A OG1 THR 25.A OG1 no hydrogen 2.769 N/A GLU 155.A N ASP 152.A OD1 no hydrogen 2.790 N/A VAL 156.A N ASP 152.A O no hydrogen 2.970 N/A ALA 157.A N ASP 153.A O no hydrogen 2.844 N/A LEU 158.A N THR 154.A O no hydrogen 2.905 N/A LEU 159.A N GLU 155.A O no hydrogen 3.028 N/A GLN 160.A N VAL 156.A O no hydrogen 3.017 N/A GLN 160.A NE2 HIS 28.A ND1 no hydrogen 3.331 N/A ALA 161.A N ALA 157.A O no hydrogen 2.956 N/A VAL 162.A N LEU 158.A O no hydrogen 2.899 N/A LEU 163.A N LEU 159.A O no hydrogen 2.927 N/A LEU 164.A N GLN 160.A O no hydrogen 2.817 N/A MET 165.A N ALA 161.A O no hydrogen 3.090 N/A SER 166.A N LEU 164.A O no hydrogen 2.886 N/A SER 166.A OG LEU 163.A O no hydrogen 2.683 N/A SER 167.A OG GLU 178.A OE1 no hydrogen 3.537 N/A ARG 169.A N SER 166.A O no hydrogen 3.477 N/A ARG 169.A NH1 GLU 97.A OE2 no hydrogen 3.094 N/A ARG 169.A NH2 GLU 97.A OE1 no hydrogen 2.876 N/A ARG 169.A NH2 GLU 97.A OE2 no hydrogen 3.443 N/A ARG 169.A NH2 LEU 163.A O no hydrogen 3.004 N/A ALA 173.A N ASP 86.A OD1 no hydrogen 2.881 N/A ARG 176.A NH1 TYR 180.A OH no hydrogen 3.282 N/A GLU 178.A N VAL 174.A O no hydrogen 3.023 N/A LYS 179.A N GLU 175.A O no hydrogen 3.019 N/A TYR 180.A N ARG 176.A O no hydrogen 2.947 N/A GLN 181.A N ILE 177.A O no hydrogen 2.968 N/A GLN 181.A NE2 VAL 162.A O no hydrogen 2.890 N/A ASP 182.A N GLU 178.A O no hydrogen 2.900 N/A SER 183.A N LYS 179.A O no hydrogen 3.155 N/A PHE 184.A N TYR 180.A O no hydrogen 3.090 N/A LEU 185.A N GLN 181.A O no hydrogen 2.744 N/A LEU 186.A N ASP 182.A O no hydrogen 2.966 N/A ALA 187.A N SER 183.A O no hydrogen 3.246 N/A PHE 188.A N PHE 184.A O no hydrogen 2.803 N/A GLU 189.A N LEU 185.A O no hydrogen 2.911 N/A HIS 190.A N LEU 186.A O no hydrogen 2.964 N/A HIS 190.A ND1 GLU 17.A OE1 no hydrogen 2.593 N/A HIS 190.A NE2 GLU 1.A OE2 no hydrogen 3.167 N/A TYR 191.A N ALA 187.A O no hydrogen 2.811 N/A TYR 191.A OH ASP 152.A OD2 no hydrogen 2.476 N/A ILE 192.A N PHE 188.A O no hydrogen 2.916 N/A ASN 193.A N GLU 189.A O no hydrogen 3.039 N/A ASN 193.A ND2 PRO 11.A O no hydrogen 2.730 N/A TYR 194.A N HIS 190.A O no hydrogen 3.047 N/A ARG 195.A N TYR 191.A O no hydrogen 2.971 N/A ARG 195.A NE GLU 155.A OE2 no hydrogen 2.865 N/A ARG 195.A NH2 GLU 155.A OE1 no hydrogen 3.066 N/A LYS 196.A N ILE 192.A O no hydrogen 3.254 N/A LYS 196.A NZ GLU 12.A OE2 no hydrogen 3.158 N/A LYS 196.A NZ TYR 194.A O no hydrogen 3.171 N/A HIS 197.A NE2 GLU 155.A OE2 no hydrogen 2.660 N/A HIS 198.A N LYS 196.A O no hydrogen 3.527 N/A HIS 198.A N HIS 198.A O no hydrogen 2.990 N/A VAL 199.A N HIS 198.A O no hydrogen 2.250 N/A LYS 205.A N HIS 201.A O no hydrogen 3.033 N/A LYS 205.A NZ THR 200.A O no hydrogen 3.126 N/A LEU 206.A N PHE 202.A O no hydrogen 2.802 N/A LEU 207.A N TRP 203.A O no hydrogen 3.002 N/A MET 208.A N PRO 204.A O no hydrogen 3.274 N/A LYS 209.A N LEU 206.A O no hydrogen 2.807 N/A LYS 209.A NZ SER 145.A OG no hydrogen 2.836 N/A VAL 210.A N LEU 206.A O no hydrogen 3.387 N/A THR 211.A N LEU 207.A O no hydrogen 3.354 N/A ASP 212.A N MET 208.A O no hydrogen 3.121 N/A LEU 213.A N LYS 209.A O no hydrogen 2.877 N/A ARG 214.A N VAL 210.A O no hydrogen 2.968 N/A ARG 214.A NE GLU 97.A OE2 no hydrogen 3.467 N/A ARG 214.A NH2 GLU 97.A OE1 no hydrogen 3.025 N/A ARG 214.A NH2 LEU 163.A O no hydrogen 3.029 N/A MET 215.A N THR 211.A O no hydrogen 2.992 N/A ILE 216.A N ASP 212.A O no hydrogen 2.895 N/A GLY 217.A N LEU 213.A O no hydrogen 3.048 N/A ALA 218.A N ARG 214.A O no hydrogen 3.112 N/A ALA 220.A N GLY 217.A O no hydrogen 3.204 N/A SER 221.A N ALA 218.A O no hydrogen 3.364 N/A ARG 222.A NE GLY 131.A O no hydrogen 3.135 N/A ARG 222.A NH2 GLY 131.A O no hydrogen 3.044 N/A PHE 223.A N HIS 219.A O no hydrogen 2.759 N/A LEU 224.A N ALA 220.A O no hydrogen 3.174 N/A HIS 225.A N SER 221.A O no hydrogen 3.042 N/A HIS 225.A ND1 SER 221.A O no hydrogen 2.963 N/A MET 226.A N ARG 222.A O no hydrogen 2.851 N/A LYS 227.A N PHE 223.A O no hydrogen 3.105 N/A VAL 228.A N HIS 225.A O no hydrogen 3.413 N/A GLU 229.A N MET 226.A O no hydrogen 2.776 N/A PHE 235.A N THR 232.A O no hydrogen 3.214 N/A LEU 240.A N PRO 236.A O no hydrogen 3.081 N/A GLU 241.A N PRO 237.A O no hydrogen 3.033 N/A VAL 242.A N LEU 238.A O no hydrogen 3.115 N/A PHE 243.A N PHE 239.A O no hydrogen 3.328 N/A