Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3oct_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N VAL 65.A O no hydrogen 2.702 N/A LYS 7.A N ASP 5.A OD1 no hydrogen 2.818 N/A ASP 8.A N ASP 5.A O no hydrogen 2.853 N/A LEU 9.A N PRO 6.A O no hydrogen 3.055 N/A THR 10.A N LYS 25.A O no hydrogen 2.883 N/A LEU 12.A N TYR 23.A O no hydrogen 2.694 N/A LYS 13.A N TYR 23.A O no hydrogen 3.098 N/A LEU 15.A N VAL 21.A O no hydrogen 2.733 N/A GLN 17.A N GLN 17.A OE1 no hydrogen 2.871 N/A GLN 17.A NE2 ARG 127.A O no hydrogen 2.687 N/A GLY 19.A N GLY 16.A O no hydrogen 2.894 N/A LYS 22.A N ILE 34.A O no hydrogen 2.992 N/A TYR 23.A N LYS 13.A O no hydrogen 2.670 N/A TYR 23.A OH ASP 31.A OD1 no hydrogen 2.765 N/A GLY 24.A N VAL 32.A O no hydrogen 2.907 N/A LYS 25.A N THR 10.A O no hydrogen 2.846 N/A LYS 25.A NZ GLN 29.A O no hydrogen 3.489 N/A LYS 25.A NZ ASP 31.A OD1 no hydrogen 3.112 N/A TRP 26.A N TYR 30.A O no hydrogen 2.787 N/A ARG 27.A N ASP 8.A O no hydrogen 2.913 N/A GLN 29.A N TRP 26.A O no hydrogen 3.264 N/A TYR 30.A N TRP 26.A O no hydrogen 3.086 N/A VAL 32.A N GLY 24.A O no hydrogen 2.935 N/A ALA 33.A N THR 76.A O no hydrogen 2.911 N/A ILE 34.A N LYS 22.A O no hydrogen 2.743 N/A LYS 35.A N ILE 74.A O no hydrogen 2.716 N/A MET 36.A N VAL 20.A O no hydrogen 3.042 N/A SER 40.A N GLU 43.A OE1 no hydrogen 2.639 N/A GLU 43.A N SER 40.A OG no hydrogen 3.156 N/A PHE 44.A N SER 40.A O no hydrogen 3.033 N/A ILE 45.A N GLU 41.A O no hydrogen 3.066 N/A GLU 46.A N ASP 42.A O no hydrogen 3.004 N/A GLU 47.A N GLU 43.A O no hydrogen 2.903 N/A ALA 48.A N PHE 44.A O no hydrogen 3.006 N/A LYS 49.A N ILE 45.A O no hydrogen 3.019 N/A VAL 50.A N GLU 46.A O no hydrogen 2.990 N/A MET 51.A N GLU 47.A O no hydrogen 3.057 N/A MET 52.A N ALA 48.A O no hydrogen 2.884 N/A ASN 53.A N VAL 50.A O no hydrogen 2.924 N/A ASN 53.A ND2 LYS 49.A O no hydrogen 2.846 N/A LEU 54.A N MET 51.A O no hydrogen 3.245 N/A SER 55.A N TYR 113.A OH no hydrogen 2.956 N/A LYS 58.A N HIS 56.A ND1 no hydrogen 2.922 N/A LYS 58.A NZ ASP 106.A OD1 no hydrogen 3.126 N/A LYS 58.A NZ GLU 109.A OE1 no hydrogen 2.609 N/A LEU 59.A N HIS 56.A O no hydrogen 3.163 N/A VAL 60.A N VAL 139.A O no hydrogen 2.985 N/A GLN 61.A N GLU 77.A OE2 no hydrogen 2.916 N/A TYR 63.A N ILE 75.A O no hydrogen 2.641 N/A GLY 64.A N ILE 75.A O no hydrogen 3.237 N/A VAL 65.A N TRP 2.A O no hydrogen 3.054 N/A CYS 66.A N PHE 73.A O no hydrogen 2.896 N/A CYS 66.A SG ILE 4.A O no hydrogen 3.564 N/A THR 67.A N GLU 3.A OE1 no hydrogen 3.142 N/A THR 67.A OG1 GLU 3.A OE2 no hydrogen 2.398 N/A PHE 73.A N CYS 66.A O no hydrogen 2.930 N/A ILE 74.A N LYS 35.A O no hydrogen 2.960 N/A ILE 75.A N GLY 64.A O no hydrogen 2.840 N/A THR 76.A N ALA 33.A O no hydrogen 3.022 N/A THR 76.A OG1 GLU 77.A O no hydrogen 2.855 N/A GLU 77.A N GLN 61.A O no hydrogen 2.931 N/A ASN 81.A N VAL 131.A O no hydrogen 2.887 N/A ASN 81.A ND2 ASN 132.A O no hydrogen 2.873 N/A GLY 82.A N MET 79.A O no hydrogen 3.248 N/A LEU 84.A N CYS 129.A O no hydrogen 2.742 N/A LEU 85.A N ALA 126.A O no hydrogen 3.299 N/A TYR 87.A N CYS 83.A O no hydrogen 3.155 N/A LEU 88.A N LEU 84.A O no hydrogen 2.855 N/A ARG 89.A N LEU 85.A O no hydrogen 3.347 N/A ARG 89.A NE GLY 182.A O no hydrogen 3.224 N/A ARG 89.A NH2 GLY 182.A O no hydrogen 2.811 N/A GLU 90.A N ASN 86.A O no hydrogen 2.781 N/A MET 91.A N TYR 87.A O no hydrogen 2.979 N/A ARG 92.A N ARG 89.A O no hydrogen 3.460 N/A ARG 94.A N MET 91.A O no hydrogen 2.882 N/A PHE 95.A N MET 91.A O no hydrogen 3.343 N/A GLN 96.A N GLN 99.A OE1 no hydrogen 2.929 N/A GLN 98.A NE2 GLU 102.A OE1 no hydrogen 2.642 N/A LEU 100.A N GLN 96.A O no hydrogen 3.367 N/A LEU 101.A N THR 97.A O no hydrogen 3.041 N/A GLU 102.A N GLN 98.A O no hydrogen 2.952 N/A MET 103.A N GLN 99.A O no hydrogen 3.113 N/A CYS 104.A N LEU 100.A O no hydrogen 3.208 N/A CYS 104.A SG LEU 100.A O no hydrogen 3.583 N/A LYS 105.A N LEU 101.A O no hydrogen 2.888 N/A LYS 105.A NZ ASP 106.A OD1 no hydrogen 3.146 N/A ASP 106.A N GLU 102.A O no hydrogen 2.764 N/A VAL 107.A N MET 103.A O no hydrogen 3.262 N/A CYS 108.A N CYS 104.A O no hydrogen 2.918 N/A CYS 108.A SG PHE 232.A O no hydrogen 3.542 N/A GLU 109.A N LYS 105.A O no hydrogen 3.007 N/A ALA 110.A N ASP 106.A O no hydrogen 3.283 N/A MET 111.A N VAL 107.A O no hydrogen 2.973 N/A GLU 112.A N CYS 108.A O no hydrogen 2.930 N/A TYR 113.A N GLU 109.A O no hydrogen 3.187 N/A LEU 114.A N ALA 110.A O no hydrogen 2.927 N/A GLU 115.A N MET 111.A O no hydrogen 2.796 N/A SER 116.A N GLU 112.A O no hydrogen 3.079 N/A SER 116.A OG TYR 113.A O no hydrogen 2.585 N/A LYS 117.A N LEU 114.A O no hydrogen 3.066 N/A GLN 118.A N GLU 115.A O no hydrogen 3.181 N/A GLN 118.A NE2 SER 116.A O no hydrogen 3.600 N/A PHE 119.A N LEU 114.A O no hydrogen 3.048 N/A LEU 120.A N SER 145.A O no hydrogen 2.742 N/A HIS 121.A N ASP 167.A OD2 no hydrogen 2.841 N/A ARG 122.A N ASP 167.A OD1 no hydrogen 3.171 N/A ASP 123.A N HIS 121.A ND1 no hydrogen 3.074 N/A ALA 126.A N GLU 177.A OE1 no hydrogen 2.829 N/A ARG 127.A NE ASP 123.A OD2 no hydrogen 3.437 N/A ARG 127.A NH2 ASP 123.A OD2 no hydrogen 3.497 N/A ASN 128.A N ALA 125.A O no hydrogen 2.954 N/A ASN 128.A ND2 ASP 123.A O no hydrogen 2.800 N/A ASN 128.A ND2 ASP 123.A OD2 no hydrogen 2.777 N/A CYS 129.A N ALA 126.A O no hydrogen 3.220 N/A CYS 129.A SG ALA 125.A O no hydrogen 3.570 N/A LEU 130.A N LYS 138.A O no hydrogen 2.955 N/A VAL 131.A N GLY 82.A O no hydrogen 2.829 N/A ASN 132.A N VAL 136.A O no hydrogen 3.019 N/A GLN 134.A N ASN 132.A OD1 no hydrogen 2.900 N/A GLY 135.A N ASN 132.A O no hydrogen 3.002 N/A VAL 136.A N ASN 132.A OD1 no hydrogen 2.863 N/A VAL 137.A N ASP 106.A OD2 no hydrogen 2.940 N/A LYS 138.A N LEU 130.A O no hydrogen 2.986 N/A LYS 138.A NZ GLU 57.A O no hydrogen 3.230 N/A LYS 138.A NZ GLU 77.A OE1 no hydrogen 3.561 N/A LYS 138.A NZ GLU 77.A OE2 no hydrogen 2.717 N/A VAL 139.A N LYS 58.A O no hydrogen 2.994 N/A PHE 142.A N SER 140.A OG no hydrogen 3.126 N/A GLY 143.A N GLU 47.A OE2 no hydrogen 2.811 N/A SER 145.A N LEU 120.A O no hydrogen 2.925 N/A ARG 146.A NH1 LYS 117.A O no hydrogen 2.851 N/A ARG 150.A NE ASN 191.A OD1 no hydrogen 2.990 N/A ARG 150.A NH1 PRO 185.A O no hydrogen 2.865 N/A ARG 150.A NH1 TYR 186.A O no hydrogen 3.054 N/A ARG 150.A NH1 PHE 189.A O no hydrogen 3.324 N/A ARG 150.A NH2 PHE 189.A O no hydrogen 2.762 N/A ARG 150.A NH2 ASN 191.A OD1 no hydrogen 3.075 N/A TRP 151.A N PRO 148.A O no hydrogen 3.086 N/A TRP 151.A NE1 GLU 177.A OE1 no hydrogen 2.939 N/A SER 152.A N VAL 149.A O no hydrogen 3.411 N/A SER 152.A OG PRO 148.A O no hydrogen 2.742 N/A GLU 155.A N GLU 155.A OE2 no hydrogen 2.910 N/A LEU 157.A N PRO 153.A O no hydrogen 3.029 N/A MET 158.A N PRO 154.A O no hydrogen 2.844 N/A TYR 159.A N GLU 155.A O no hydrogen 2.953 N/A SER 160.A N VAL 156.A O no hydrogen 2.930 N/A LYS 161.A N GLU 155.A O no hydrogen 3.141 N/A PHE 162.A N SER 160.A O no hydrogen 3.137 N/A SER 163.A N SER 166.A OG no hydrogen 2.944 N/A LYS 165.A N SER 163.A OG no hydrogen 2.886 N/A LYS 165.A NZ ARG 229.A O no hydrogen 2.992 N/A SER 166.A N SER 163.A O no hydrogen 3.060 N/A SER 166.A OG SER 163.A O no hydrogen 2.832 N/A ASP 167.A N SER 163.A O no hydrogen 3.381 N/A ILE 168.A N SER 164.A O no hydrogen 2.947 N/A TRP 169.A N LYS 165.A O no hydrogen 3.208 N/A ALA 170.A N SER 166.A O no hydrogen 3.242 N/A PHE 171.A N ASP 167.A O no hydrogen 2.898 N/A GLY 172.A N ILE 168.A O no hydrogen 3.181 N/A VAL 173.A N TRP 169.A O no hydrogen 3.232 N/A LEU 174.A N ALA 170.A O no hydrogen 2.872 N/A MET 175.A N PHE 171.A O no hydrogen 2.848 N/A TRP 176.A N GLY 172.A O no hydrogen 2.899 N/A TRP 176.A NE1 TYR 205.A O no hydrogen 2.788 N/A GLU 177.A N VAL 173.A O no hydrogen 2.787 N/A ILE 178.A N LEU 174.A O no hydrogen 2.866 N/A TYR 179.A N MET 175.A O no hydrogen 2.887 N/A SER 180.A N TRP 176.A O no hydrogen 2.866 N/A SER 180.A OG TRP 176.A O no hydrogen 2.846 N/A LEU 181.A N ILE 178.A O no hydrogen 3.124 N/A GLY 182.A N GLU 177.A O no hydrogen 2.791 N/A LYS 183.A N SER 180.A O no hydrogen 3.379 N/A LYS 183.A NZ SER 180.A O no hydrogen 2.659 N/A PHE 189.A N TYR 186.A O no hydrogen 2.878 N/A THR 190.A N GLU 193.A OE1 no hydrogen 3.175 N/A GLU 193.A N THR 190.A OG1 no hydrogen 2.979 N/A THR 194.A N THR 190.A O no hydrogen 2.626 N/A THR 194.A OG1 THR 190.A O no hydrogen 2.906 N/A ALA 195.A N ASN 191.A O no hydrogen 2.808 N/A GLU 196.A N SER 192.A O no hydrogen 2.987 N/A HIS 197.A N GLU 193.A O no hydrogen 2.863 N/A ILE 198.A N THR 194.A O no hydrogen 2.979 N/A ALA 199.A N ALA 195.A O no hydrogen 3.498 N/A GLN 200.A N GLU 196.A O no hydrogen 3.337 N/A GLY 201.A N ILE 198.A O no hydrogen 2.834 N/A LEU 202.A N HIS 197.A O no hydrogen 2.890 N/A ARG 203.A NE TRP 222.A O no hydrogen 2.937 N/A ARG 203.A NH1 ILE 198.A O no hydrogen 3.244 N/A ARG 203.A NH1 LEU 202.A O no hydrogen 2.946 N/A ARG 203.A NH2 TRP 222.A O no hydrogen 2.971 N/A ARG 203.A NH2 GLU 224.A OE1 no hydrogen 3.125 N/A ARG 206.A NH1 ALA 210.A O no hydrogen 2.608 N/A ALA 210.A N PRO 207.A O no hydrogen 3.089 N/A VAL 214.A N SER 211.A OG no hydrogen 3.154 N/A TYR 215.A N SER 211.A O no hydrogen 2.984 N/A TYR 215.A OH LEU 204.A O no hydrogen 2.567 N/A THR 216.A N GLU 212.A O no hydrogen 2.932 N/A THR 216.A OG1 GLU 212.A O no hydrogen 3.225 N/A ILE 217.A N VAL 214.A O no hydrogen 3.030 N/A MET 218.A N VAL 214.A O no hydrogen 3.220 N/A TYR 219.A N TYR 215.A O no hydrogen 2.765 N/A SER 220.A N THR 216.A O no hydrogen 3.080 N/A SER 220.A OG ILE 217.A O no hydrogen 2.503 N/A CYS 221.A N MET 218.A O no hydrogen 3.110 N/A CYS 221.A SG ILE 217.A O no hydrogen 3.735 N/A TRP 222.A N TYR 219.A O no hydrogen 3.103 N/A HIS 223.A ND1 SER 220.A O no hydrogen 2.948 N/A GLU 228.A N LYS 225.A O no hydrogen 2.929 N/A ARG 229.A N ALA 226.A O no hydrogen 2.993 N/A ARG 229.A NE HIS 223.A O no hydrogen 2.757 N/A ARG 229.A NH1 GLU 155.A OE1 no hydrogen 2.746 N/A ARG 229.A NH1 GLU 155.A OE2 no hydrogen 3.542 N/A ARG 229.A NH1 LYS 165.A O no hydrogen 2.941 N/A ARG 229.A NH2 GLU 155.A OE2 no hydrogen 2.825 N/A ARG 229.A NH2 HIS 223.A O no hydrogen 3.060 N/A ARG 229.A NH2 GLU 224.A O no hydrogen 3.353 N/A PHE 232.A N GLU 115.A OE1 no hydrogen 3.077 N/A ILE 234.A N THR 231.A OG1 no hydrogen 3.124 N/A LEU 235.A N THR 231.A O no hydrogen 2.924 N/A LEU 236.A N PHE 232.A O no hydrogen 2.973 N/A SER 237.A N LYS 233.A O no hydrogen 3.171 N/A ASN 238.A N ILE 234.A O no hydrogen 2.917 N/A ILE 239.A N LEU 235.A O no hydrogen 2.798 N/A LEU 240.A N LEU 236.A O no hydrogen 2.757 N/A ASP 241.A N SER 237.A O no hydrogen 2.859 N/A VAL 242.A N ASN 238.A O no hydrogen 2.994 N/A MET 243.A N ILE 239.A O no hydrogen 3.022 N/A ASP 244.A N ASP 241.A O no hydrogen 3.191 N/A