Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kws_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A NZ ASN 224.A O no hydrogen 2.923 N/A SER 7.A N VAL 227.A O no hydrogen 2.862 N/A SER 7.A OG SER 58.A OG no hydrogen 2.700 N/A SER 7.A OG SER 228.A OG no hydrogen 2.744 N/A PHE 8.A N GLY 31.A O no hydrogen 2.947 N/A GLN 9.A N PHE 229.A O no hydrogen 3.194 N/A GLN 9.A NE2 GLU 33.A OE2 no hydrogen 2.976 N/A GLN 9.A NE2 GLU 230.A OE2.A no hydrogen 3.043 N/A ILE 12.A N GLN 9.A O no hydrogen 3.180 N/A GLU 16.A N GLU 20.A OE1 no hydrogen 2.896 N/A GLU 20.A N SER 17.A OG no hydrogen 3.065 N/A LYS 21.A N SER 17.A O no hydrogen 3.070 N/A LYS 21.A NZ GLU 10.A O no hydrogen 2.896 N/A LEU 22.A N LEU 18.A O no hydrogen 2.902 N/A ASP 23.A N ASN 19.A O no hydrogen 2.854 N/A PHE 24.A N GLU 20.A O no hydrogen 3.028 N/A LYS 26.A N ASP 23.A O no hydrogen 3.148 N/A LEU 27.A N PHE 24.A O no hydrogen 3.321 N/A GLY 28.A N GLU 25.A O no hydrogen 3.032 N/A VAL 30.A N LEU 6.A O no hydrogen 3.125 N/A GLY 31.A N LEU 6.A O no hydrogen 3.038 N/A PHE 32.A N LYS 56.A O no hydrogen 2.839 N/A GLU 33.A N PHE 8.A O no hydrogen 2.847 N/A GLY 36.A N CYS 61.A O no hydrogen 3.178 N/A LEU 39.A N GLY 36.A O no hydrogen 3.062 N/A ARG 42.A N LEU 39.A O no hydrogen 2.843 N/A ARG 42.A NE GLU 45.A OE1 no hydrogen 2.847 N/A ARG 42.A NH1 GLU 10.A OE1 no hydrogen 2.800 N/A ARG 42.A NH2 GLU 10.A OE1 no hydrogen 3.492 N/A ARG 42.A NH2 GLU 10.A OE2 no hydrogen 2.899 N/A ARG 42.A NH2 GLU 45.A OE2 no hydrogen 3.019 N/A VAL 43.A N ALA 40.A O no hydrogen 3.437 N/A ILE 46.A N ARG 42.A O no hydrogen 2.918 N/A LYS 47.A N VAL 43.A O no hydrogen 2.950 N/A GLN 48.A N ASN 44.A O no hydrogen 2.924 N/A ALA 49.A N GLU 45.A O no hydrogen 3.033 N/A LEU 50.A N ILE 46.A O no hydrogen 2.957 N/A ASN 51.A N GLN 48.A O no hydrogen 3.279 N/A ARG 53.A N LEU 50.A O no hydrogen 2.890 N/A ARG 53.A NE ALA 49.A O no hydrogen 2.772 N/A ARG 53.A NH1 ASP 23.A OD1 no hydrogen 2.803 N/A ARG 53.A NH1 GLU 25.A OE1 no hydrogen 2.888 N/A ARG 53.A NH2 ASN 19.A OD1 no hydrogen 2.828 N/A ARG 53.A NH2 ASP 23.A OD1 no hydrogen 3.144 N/A ASN 54.A N GLU 25.A OE2 no hydrogen 2.955 N/A LYS 56.A N VAL 30.A O no hydrogen 2.883 N/A SER 58.A N PHE 32.A O no hydrogen 2.938 N/A SER 58.A OG SER 7.A OG no hydrogen 2.700 N/A ILE 60.A N GLY 95.A O no hydrogen 2.850 N/A CYS 61.A N PRO 34.A O no hydrogen 3.001 N/A CYS 61.A SG GLU 230.A OE2.A no hydrogen 3.858 N/A LYS 65.A N THR 81.A OG1 no hydrogen 2.904 N/A SER 70.A N PHE 67.A O no hydrogen 3.367 N/A THR 71.A N PRO 107.A O no hydrogen 3.312 N/A ASP 72.A N SER 70.A OG no hydrogen 2.978 N/A ALA 74.A N ASP 72.A OD1 no hydrogen 2.949 N/A ILE 75.A N ASP 72.A O no hydrogen 3.017 N/A ARG 76.A N ASP 72.A O no hydrogen 3.107 N/A ARG 76.A NH1 SER 70.A O no hydrogen 2.922 N/A LYS 77.A N PRO 73.A O no hydrogen 2.878 N/A LYS 77.A NZ ASP 80.A OD2 no hydrogen 2.600 N/A GLU 78.A N ALA 74.A O no hydrogen 2.928 N/A CYS 79.A N ILE 75.A O no hydrogen 3.074 N/A THR 81.A N GLU 78.A O no hydrogen 2.921 N/A THR 81.A OG1 LYS 65.A O no hydrogen 3.523 N/A THR 81.A OG1 GLU 78.A O no hydrogen 2.731 N/A THR 81.A OG1 CYS 79.A O no hydrogen 3.393 N/A LYS 82.A NZ GLU 124.A OE2 no hydrogen 3.482 N/A GLU 83.A N ASP 80.A O no hydrogen 3.199 N/A ILE 84.A N THR 81.A O no hydrogen 3.188 N/A ALA 86.A N LYS 82.A O no hydrogen 3.071 N/A ALA 87.A N GLU 83.A O no hydrogen 3.282 N/A ALA 88.A N ILE 84.A O no hydrogen 2.776 N/A GLY 89.A N ILE 85.A O no hydrogen 2.939 N/A GLU 90.A N ALA 86.A O no hydrogen 3.091 N/A LEU 91.A N ALA 87.A O no hydrogen 3.105 N/A LEU 91.A N ALA 88.A O no hydrogen 3.132 N/A GLY 92.A N GLY 89.A O no hydrogen 3.098 N/A SER 93.A N ALA 88.A O no hydrogen 2.937 N/A SER 93.A OG SER 58.A O no hydrogen 2.614 N/A SER 93.A OG GLY 95.A O no hydrogen 3.342 N/A THR 94.A N SER 58.A O no hydrogen 2.908 N/A GLY 95.A N SER 93.A OG no hydrogen 3.066 N/A VAL 96.A N SER 134.A O no hydrogen 2.941 N/A ILE 97.A N ILE 60.A O no hydrogen 2.836 N/A ILE 98.A N ILE 136.A O no hydrogen 2.909 N/A PHE 102.A N GLN 105.A OE1 no hydrogen 2.850 N/A ASN 103.A N GLU 144.A O no hydrogen 2.842 N/A ASN 103.A ND2 ARG 142.A O no hydrogen 3.053 N/A GLN 105.A N PHE 102.A O no hydrogen 3.034 N/A LEU 109.A N LEU 69.A O no hydrogen 2.770 N/A THR 112.A N PRO 110.A O no hydrogen 2.932 N/A THR 112.A OG1 THR 114.A OG1 no hydrogen 3.309 N/A THR 114.A N THR 112.A OG1 no hydrogen 3.209 N/A THR 114.A OG1 PRO 110.A O no hydrogen 2.578 N/A THR 114.A OG1 THR 112.A OG1 no hydrogen 3.309 N/A ARG 115.A N THR 112.A O no hydrogen 2.945 N/A ARG 115.A NH1 ASP 160.A OD2 no hydrogen 2.807 N/A ARG 115.A NH2 ASP 160.A OD2 no hydrogen 3.036 N/A PHE 117.A N GLU 113.A O no hydrogen 3.141 N/A LEU 118.A N THR 114.A O no hydrogen 2.745 N/A CYS 119.A N ARG 115.A O no hydrogen 2.953 N/A CYS 119.A SG ARG 115.A O no hydrogen 3.404 N/A GLU 120.A N ASP 116.A O no hydrogen 3.012 N/A GLN 121.A N PHE 117.A O no hydrogen 2.966 N/A PHE 122.A N LEU 118.A O no hydrogen 2.935 N/A ASN 123.A N CYS 119.A O no hydrogen 2.923 N/A GLU 124.A N GLU 120.A O no hydrogen 3.132 N/A THR 126.A N ASN 123.A O no hydrogen 2.946 N/A THR 126.A OG1 ASN 123.A O no hydrogen 3.024 N/A PHE 127.A N GLU 124.A O no hydrogen 3.218 N/A ALA 129.A N GLY 125.A O no hydrogen 2.857 N/A GLN 130.A N THR 126.A O no hydrogen 3.082 N/A HIS 131.A N PHE 127.A O no hydrogen 3.148 N/A HIS 131.A N ALA 128.A O no hydrogen 2.887 N/A GLY 132.A N ALA 129.A O no hydrogen 2.978 N/A THR 133.A N ALA 128.A O no hydrogen 2.896 N/A THR 133.A OG1 SER 93.A O no hydrogen 2.889 N/A SER 134.A OG THR 94.A O no hydrogen 2.860 N/A VAL 135.A N GLY 165.A O no hydrogen 2.850 N/A ILE 136.A N VAL 96.A O no hydrogen 2.841 N/A PHE 137.A N ARG 167.A O no hydrogen 2.961 N/A GLU 138.A N ILE 98.A O no hydrogen 3.100 N/A LEU 140.A N LEU 148.A O no hydrogen 3.077 N/A ASN 141.A N HIS 173.A ND1 no hydrogen 3.126 N/A ASN 141.A ND2 HIS 173.A ND1 no hydrogen 2.988 N/A ARG 142.A N GLU 176.A OE2 no hydrogen 2.793 N/A ARG 142.A NE GLU 176.A OE2 no hydrogen 2.786 N/A ARG 142.A NH2 GLU 176.A OE1 no hydrogen 3.033 N/A LYS 143.A N ASN 141.A OD1 no hydrogen 2.894 N/A GLU 144.A N ASN 141.A O no hydrogen 2.866 N/A CYS 145.A N ASN 141.A O no hydrogen 2.927 N/A CYS 145.A SG LEU 140.A O no hydrogen 3.773 N/A CYS 145.A SG LEU 148.A O no hydrogen 2.990 N/A ARG 149.A NE PHE 146.A O no hydrogen 2.974 N/A ARG 149.A NH1 GLU 176.A OE1 no hydrogen 3.372 N/A GLN 150.A NE2 GLU 176.A O no hydrogen 2.883 N/A VAL 151.A N GLU 177.A OE2 no hydrogen 2.830 N/A ALA 154.A N GLN 150.A O no hydrogen 3.124 N/A ALA 155.A N VAL 151.A O no hydrogen 2.819 N/A SER 156.A N ALA 152.A O no hydrogen 3.028 N/A LEU 157.A N ASP 153.A O no hydrogen 3.029 N/A CYS 158.A N ALA 154.A O no hydrogen 2.948 N/A CYS 158.A SG ALA 154.A O no hydrogen 3.378 N/A CYS 158.A SG VAL 166.A O no hydrogen 3.843 N/A ARG 159.A N ALA 155.A O no hydrogen 2.834 N/A ASP 160.A N SER 156.A O no hydrogen 2.951 N/A ILE 161.A N LEU 157.A O no hydrogen 2.942 N/A ASN 162.A N CYS 158.A O no hydrogen 2.856 N/A ASN 163.A ND2 ASN 123.A OD1 no hydrogen 2.776 N/A ASN 163.A ND2 THR 126.A OG1 no hydrogen 3.085 N/A GLY 165.A N ASN 163.A OD1 no hydrogen 2.844 N/A VAL 166.A N ASN 163.A O no hydrogen 3.005 N/A ARG 167.A N VAL 135.A O no hydrogen 2.878 N/A ARG 167.A NH1 VAL 166.A O no hydrogen 3.041 N/A CYS 168.A N TYR 189.A O no hydrogen 2.969 N/A CYS 168.A SG TYR 189.A O no hydrogen 3.785 N/A PHE 171.A N HIS 194.A O no hydrogen 2.807 N/A TRP 172.A N ASP 170.A OD1 no hydrogen 2.903 N/A THR 174.A OG1 PHE 171.A O no hydrogen 2.742 N/A THR 174.A OG1 TRP 172.A O no hydrogen 3.184 N/A TRP 175.A N HIS 173.A O no hydrogen 3.081 N/A GLU 176.A N HIS 173.A O no hydrogen 3.066 N/A SER 179.A OG ASN 214.A OD1 no hydrogen 3.422 N/A ALA 182.A N SER 179.A O no hydrogen 3.004 N/A PHE 183.A N ASP 180.A O no hydrogen 2.987 N/A SER 185.A N GLY 181.A O no hydrogen 2.917 N/A SER 185.A OG GLY 181.A O no hydrogen 3.288 N/A GLY 186.A N ALA 182.A O no hydrogen 2.923 N/A GLY 187.A N PHE 183.A O no hydrogen 2.861 N/A TYR 189.A N GLY 186.A O no hydrogen 3.053 N/A LEU 190.A N GLY 187.A O no hydrogen 3.092 N/A GLN 191.A N CYS 168.A O no hydrogen 2.796 N/A GLN 191.A NE2 THR 94.A O no hydrogen 2.915 N/A HIS 192.A NE2 GLU 33.A OE1 no hydrogen 2.752 N/A VAL 193.A N TYR 226.A O no hydrogen 3.179 N/A HIS 194.A N GLY 169.A O no hydrogen 3.025 N/A HIS 194.A ND1 GLU 138.A OE2 no hydrogen 3.225 N/A HIS 194.A NE2 GLU 33.A OE2 no hydrogen 2.687 N/A VAL 195.A N SER 228.A O no hydrogen 2.837 N/A SER 197.A N SER 202.A O no hydrogen 2.795 N/A SER 197.A OG ASP 206.A OD2 no hydrogen 2.591 N/A ARG 198.A N ASP 210.A OD1 no hydrogen 2.836 N/A ARG 198.A NE THR 174.A OG1 no hydrogen 2.914 N/A ARG 198.A NH1 ASP 180.A OD2 no hydrogen 2.742 N/A ARG 198.A NH1 ASN 211.A O no hydrogen 3.067 N/A ARG 198.A NH2 PHE 171.A O no hydrogen 3.190 N/A ARG 198.A NH2 THR 174.A OG1 no hydrogen 3.221 N/A ARG 198.A NH2 ASP 180.A OD1 no hydrogen 3.278 N/A ARG 198.A NH2 ASP 180.A OD2 no hydrogen 3.138 N/A LYS 199.A N ASP 206.A OD2 no hydrogen 2.915 N/A LYS 199.A NZ ASP 206.A O no hydrogen 2.968 N/A ARG 200.A N ASP 206.A OD2 no hydrogen 2.779 N/A ARG 200.A NE ASP 206.A OD1 no hydrogen 2.781 N/A ARG 200.A NH2 GLU 205.A O no hydrogen 3.044 N/A ARG 200.A NH2 ASP 206.A OD1 no hydrogen 3.201 N/A ARG 201.A NH1 GLU 144.A OE2 no hydrogen 3.005 N/A ARG 201.A NH2 GLU 230.A OE1.A no hydrogen 3.269 N/A SER 202.A N SER 197.A OG no hydrogen 2.780 N/A SER 202.A OG ARG 200.A O no hydrogen 3.157 N/A GLY 204.A N ASP 210.A OD2 no hydrogen 2.664 N/A ASP 206.A N ASP 210.A OD2 no hydrogen 2.833 N/A GLY 207.A N GLY 204.A O no hydrogen 3.047 N/A ALA 209.A N ASP 206.A O no hydrogen 3.291 N/A ASP 210.A N GLY 207.A O no hydrogen 2.968 N/A ASN 211.A N ALA 209.A O no hydrogen 2.992 N/A TYR 212.A N GLN 251.A OE1 no hydrogen 2.795 N/A TYR 212.A OH ALA 196.A O no hydrogen 2.694 N/A ILE 213.A N ASN 211.A OD1 no hydrogen 3.132 N/A PHE 216.A N TYR 212.A O no hydrogen 2.814 N/A LYS 217.A N ILE 213.A O no hydrogen 2.829 N/A LYS 217.A NZ ALA 255.A OXT no hydrogen 2.799 N/A GLY 218.A N ASN 214.A O no hydrogen 3.176 N/A LEU 219.A N GLY 215.A O no hydrogen 2.882 N/A LYS 220.A N PHE 216.A O no hydrogen 2.948 N/A LYS 220.A NZ TRP 252.A O no hydrogen 2.681 N/A LYS 220.A NZ ALA 255.A O no hydrogen 2.601 N/A GLY 222.A N LYS 220.A O no hydrogen 3.095 N/A TYR 223.A N LEU 219.A O no hydrogen 2.988 N/A TYR 223.A OH TYR 226.A O no hydrogen 2.626 N/A ASN 225.A ND2.A LEU 190.A O no hydrogen 3.500 N/A ASN 225.A ND2.A GLN 191.A OE1 no hydrogen 3.589 N/A ASN 225.A ND2.B GLN 191.A O no hydrogen 3.071 N/A VAL 227.A N LYS 5.A O no hydrogen 2.936 N/A SER 228.A N VAL 193.A O no hydrogen 2.779 N/A SER 228.A OG SER 7.A OG no hydrogen 2.744 N/A SER 228.A OG GLU 33.A OE1 no hydrogen 2.683 N/A PHE 229.A N SER 7.A O no hydrogen 2.909 N/A GLU 230.A N VAL 195.A O no hydrogen 3.006 N/A CYS 231.A SG GLY 232.A O no hydrogen 3.657 N/A GLY 232.A N ARG 201.A O no hydrogen 2.844 N/A CYS 233.A SG GLY 235.A O no hydrogen 3.306 N/A GLN 234.A N GLU 205.A OE1 no hydrogen 3.019 N/A GLN 234.A NE2 SER 202.A OG no hydrogen 3.015 N/A GLY 235.A N GLU 205.A OE2 no hydrogen 2.794 N/A ARG 237.A NH1 ILE 12.A O no hydrogen 2.952 N/A ASN 238.A N ASP 236.A OD1 no hydrogen 3.048 N/A VAL 239.A N ASP 236.A O no hydrogen 2.826 N/A VAL 240.A N ASP 236.A O no hydrogen 2.915 N/A VAL 241.A N ARG 237.A O no hydrogen 3.157 N/A ALA 243.A N VAL 239.A O no hydrogen 3.200 N/A ALA 244.A N VAL 240.A O no hydrogen 3.026 N/A VAL 245.A N VAL 241.A O no hydrogen 3.087 N/A LYS 246.A N PRO 242.A O no hydrogen 2.991 N/A LEU 247.A N ALA 243.A O no hydrogen 2.904 N/A LEU 248.A N ALA 244.A O no hydrogen 2.992 N/A ARG 249.A N VAL 245.A O no hydrogen 3.082 N/A ARG 249.A NH1 LEU 27.A O no hydrogen 2.785 N/A ARG 249.A NH2 LEU 27.A O no hydrogen 2.885 N/A GLU 250.A N LYS 246.A O no hydrogen 2.958 N/A GLN 251.A N LEU 247.A O no hydrogen 2.956 N/A GLN 251.A NE2 ASP 210.A O no hydrogen 3.043 N/A TRP 252.A N LEU 248.A O no hydrogen 2.899 N/A TRP 252.A NE1 LEU 2.A O no hydrogen 2.997 N/A GLU 253.A N ARG 249.A O no hydrogen 3.125 N/A GLN 254.A N GLU 250.A O no hydrogen 3.160 N/A ALA 255.A N GLN 251.A O no hydrogen 2.894 N/A