Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4top_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N ASN 59.A OD1 no hydrogen 2.893 N/A VAL 5.A N ILE 57.A O no hydrogen 2.843 N/A LEU 6.A N GLU 30.A O no hydrogen 2.813 N/A LEU 7.A N VAL 55.A O no hydrogen 2.896 N/A ASP 8.A N LYS 32.A O no hydrogen 2.967 N/A PHE 9.A N ASP 8.A OD1 no hydrogen 2.535 N/A TRP 10.A N GLU 33.A OE2 no hydrogen 2.915 N/A SER 12.A N PHE 9.A O no hydrogen 2.934 N/A GLY 15.A N SER 12.A OG no hydrogen 3.268 N/A MET 16.A N SER 12.A O no hydrogen 2.990 N/A ARG 17.A N PRO 13.A O no hydrogen 3.207 N/A ARG 17.A N PHE 14.A O no hydrogen 3.234 N/A ARG 17.A NE ALA 155.A O no hydrogen 2.867 N/A ARG 17.A NH1 SER 66.A OG no hydrogen 2.913 N/A ARG 17.A NH1 ASP 102.A OD1 no hydrogen 2.814 N/A ARG 17.A NH2 ASP 102.A OD1 no hydrogen 2.731 N/A ARG 17.A NH2 ALA 155.A O no hydrogen 3.149 N/A VAL 18.A N GLY 15.A O no hydrogen 2.871 N/A ARG 19.A N GLY 15.A O no hydrogen 2.987 N/A ARG 19.A NE ASP 8.A OD2 no hydrogen 2.768 N/A ARG 19.A NH1 TRP 10.A O no hydrogen 3.103 N/A ARG 19.A NH1 SER 197.A O no hydrogen 3.115 N/A ARG 19.A NH2 ASP 8.A OD1 no hydrogen 3.078 N/A ARG 19.A NH2 ASP 8.A OD2 no hydrogen 3.025 N/A ARG 19.A NH2 TRP 10.A O no hydrogen 3.211 N/A ILE 20.A N MET 16.A O no hydrogen 2.652 N/A ALA 21.A N ARG 17.A O no hydrogen 2.919 N/A LEU 22.A N VAL 18.A O no hydrogen 2.885 N/A ALA 23.A N ARG 19.A O no hydrogen 3.154 N/A GLU 24.A N ILE 20.A O no hydrogen 2.889 N/A LYS 25.A N ALA 21.A O no hydrogen 3.314 N/A LYS 25.A N LEU 22.A O no hydrogen 3.162 N/A LYS 25.A NZ GLU 74.A OE1 no hydrogen 2.895 N/A LYS 25.A NZ TRP 77.A O no hydrogen 2.601 N/A LYS 25.A NZ ARG 80.A O no hydrogen 2.618 N/A LYS 25.A NZ ASN 81.A O no hydrogen 3.142 N/A GLY 26.A N ALA 23.A O no hydrogen 2.799 N/A ILE 27.A N LEU 22.A O no hydrogen 2.889 N/A GLU 30.A N VAL 4.A O no hydrogen 2.965 N/A TYR 31.A OH GLU 33.A OE1 no hydrogen 2.768 N/A LYS 32.A N LEU 6.A O no hydrogen 2.959 N/A LYS 32.A NZ GLU 30.A OE2 no hydrogen 2.986 N/A GLU 34.A N ASP 8.A O no hydrogen 2.741 N/A ARG 37.A N ASP 35.A OD1 no hydrogen 3.203 N/A ASN 38.A N ASP 35.A O no hydrogen 2.942 N/A LYS 39.A NZ LYS 51.A O no hydrogen 2.769 N/A SER 40.A N GLU 34.A OE1 no hydrogen 2.836 N/A SER 40.A OG GLU 34.A OE1 no hydrogen 3.456 N/A SER 40.A OG GLU 34.A OE2 no hydrogen 2.763 N/A LEU 43.A N SER 40.A OG no hydrogen 2.817 N/A LEU 44.A N SER 40.A O no hydrogen 3.169 N/A GLN 45.A N PRO 41.A O no hydrogen 2.982 N/A GLN 45.A N LEU 42.A O no hydrogen 3.254 N/A MET 46.A N LEU 42.A O no hydrogen 2.979 N/A MET 46.A N LEU 43.A O no hydrogen 3.249 N/A ASN 47.A N LEU 43.A O no hydrogen 2.795 N/A ASN 47.A ND2 LYS 52.A O no hydrogen 2.911 N/A HIS 50.A N ASN 47.A OD1 no hydrogen 3.208 N/A LYS 51.A N ASN 47.A O no hydrogen 2.826 N/A LYS 51.A NZ PRO 48.A O no hydrogen 2.989 N/A VAL 55.A N LEU 7.A O no hydrogen 2.972 N/A LEU 56.A N ILE 63.A O no hydrogen 3.029 N/A ILE 57.A N VAL 5.A O no hydrogen 2.746 N/A HIS 58.A N LYS 61.A O no hydrogen 2.924 N/A HIS 58.A ND1 TYR 72.A OH no hydrogen 2.644 N/A HIS 58.A NE2 ASP 2.A OD2 no hydrogen 2.602 N/A ASN 59.A N GLU 3.A O no hydrogen 2.779 N/A LYS 61.A N HIS 58.A O no hydrogen 2.983 N/A ILE 63.A N LEU 56.A O no hydrogen 2.753 N/A CYS 64.A SG MET 46.A O no hydrogen 3.559 N/A ALA 69.A N GLU 65.A O no hydrogen 2.855 N/A VAL 70.A N SER 66.A O no hydrogen 2.778 N/A GLN 71.A N LEU 67.A O no hydrogen 3.057 N/A TYR 72.A N ILE 68.A O no hydrogen 2.998 N/A TYR 72.A OH HIS 58.A ND1 no hydrogen 2.644 N/A ILE 73.A N ALA 69.A O no hydrogen 2.916 N/A GLU 74.A N VAL 70.A O no hydrogen 2.837 N/A GLU 75.A N GLN 71.A O no hydrogen 2.766 N/A VAL 76.A N TYR 72.A O no hydrogen 2.817 N/A TRP 77.A N ILE 73.A O no hydrogen 2.824 N/A LEU 83.A N GLU 74.A OE1 no hydrogen 2.832 N/A GLN 90.A N ASP 87.A OD2 no hydrogen 2.830 N/A ARG 91.A N ASP 87.A O no hydrogen 2.746 N/A ALA 92.A N PRO 88.A O no hydrogen 2.863 N/A GLN 93.A N TYR 89.A O no hydrogen 3.028 N/A THR 94.A N GLN 90.A O no hydrogen 2.891 N/A THR 94.A OG1 GLN 90.A O no hydrogen 3.105 N/A ARG 95.A N ARG 91.A O no hydrogen 2.815 N/A ARG 95.A NE GLN 71.A OE1 no hydrogen 3.147 N/A ARG 95.A NH2 GLN 71.A OE1 no hydrogen 3.175 N/A PHE 96.A N ALA 92.A O no hydrogen 2.794 N/A TRP 97.A N GLN 93.A O no hydrogen 2.977 N/A ALA 98.A N THR 94.A O no hydrogen 3.125 N/A ASP 99.A N ARG 95.A O no hydrogen 2.945 N/A TYR 100.A N PHE 96.A O no hydrogen 2.901 N/A VAL 101.A N TRP 97.A O no hydrogen 2.959 N/A ASP 102.A N ALA 98.A O no hydrogen 3.080 N/A LYS 103.A N ASP 99.A O no hydrogen 2.782 N/A LYS 103.A NZ ASP 99.A OD1 no hydrogen 3.546 N/A LYS 103.A NZ ASP 99.A OD2 no hydrogen 3.172 N/A LYS 104.A N TYR 100.A O no hydrogen 3.043 N/A LYS 104.A N VAL 101.A O no hydrogen 3.192 N/A ILE 105.A N VAL 101.A O no hydrogen 3.011 N/A LEU 108.A N LYS 104.A O no hydrogen 3.005 N/A GLY 109.A N ILE 105.A O no hydrogen 2.835 N/A ARG 110.A N TYR 106.A O no hydrogen 2.842 N/A LYS 111.A N ASP 107.A O no hydrogen 3.034 N/A ILE 112.A N LEU 108.A O no hydrogen 2.824 N/A TRP 113.A N GLY 109.A O no hydrogen 3.269 N/A THR 114.A N LYS 111.A O no hydrogen 3.160 N/A THR 114.A OG1 ARG 110.A O no hydrogen 2.534 N/A SER 115.A N LYS 111.A O no hydrogen 2.763 N/A SER 115.A OG LYS 111.A O no hydrogen 2.490 N/A LYS 120.A NZ PHE 169.A O no hydrogen 2.989 N/A GLU 121.A N GLY 117.A O no hydrogen 3.388 N/A ALA 122.A N GLU 118.A O no hydrogen 2.856 N/A ALA 123.A N GLU 119.A O no hydrogen 2.898 N/A LYS 124.A N LYS 120.A O no hydrogen 2.963 N/A LYS 124.A NZ GLU 121.A OE2 no hydrogen 2.730 N/A LYS 124.A NZ GLY 170.A O no hydrogen 3.020 N/A LYS 124.A NZ THR 171.A O no hydrogen 3.258 N/A LYS 125.A N GLU 121.A O no hydrogen 3.151 N/A LYS 125.A NZ GLU 129.A OE1 no hydrogen 3.433 N/A GLU 126.A N ALA 122.A O no hydrogen 2.950 N/A PHE 127.A N ALA 123.A O no hydrogen 2.829 N/A ILE 128.A N LYS 124.A O no hydrogen 3.215 N/A GLU 129.A N LYS 125.A O no hydrogen 3.112 N/A ALA 130.A N GLU 126.A O no hydrogen 2.875 N/A LEU 131.A N PHE 127.A O no hydrogen 3.041 N/A LYS 132.A N ILE 128.A O no hydrogen 2.926 N/A LYS 132.A NZ GLU 177.A OE1 no hydrogen 3.027 N/A LEU 133.A N GLU 129.A O no hydrogen 2.859 N/A LEU 134.A N ALA 130.A O no hydrogen 2.925 N/A GLU 135.A N LEU 131.A O no hydrogen 2.779 N/A GLU 136.A N LYS 132.A O no hydrogen 2.829 N/A GLN 137.A N LEU 133.A O no hydrogen 3.073 N/A LEU 138.A N LEU 134.A O no hydrogen 2.792 N/A LYS 141.A NZ GLN 137.A O no hydrogen 3.092 N/A TYR 143.A N GLY 146.A O no hydrogen 2.938 N/A PHE 144.A N ASP 153.A OD1 no hydrogen 2.568 N/A GLY 145.A N ASP 153.A OD2 no hydrogen 2.812 N/A GLY 146.A N TYR 143.A O no hydrogen 2.999 N/A GLY 150.A N ASP 153.A OD2 no hydrogen 2.746 N/A PHE 151.A N LEU 83.A O no hydrogen 2.829 N/A ILE 154.A N GLY 150.A O no hydrogen 2.976 N/A ALA 155.A N PHE 151.A O no hydrogen 2.843 N/A LEU 156.A N ASP 153.A O no hydrogen 3.078 N/A VAL 157.A N ASP 153.A O no hydrogen 2.809 N/A PHE 159.A N LEU 156.A O no hydrogen 3.043 N/A TYR 160.A N VAL 157.A O no hydrogen 3.042 N/A THR 161.A N PRO 158.A O no hydrogen 3.262 N/A THR 161.A OG1 PRO 158.A O no hydrogen 2.721 N/A TRP 162.A N PHE 159.A O no hydrogen 2.778 N/A TRP 162.A NE1 PRO 11.A O no hydrogen 2.848 N/A PHE 163.A N TYR 160.A O no hydrogen 2.683 N/A LYS 164.A N GLN 201.A OE1 no hydrogen 2.917 N/A LYS 164.A NZ GLN 202.A OE1 no hydrogen 3.479 N/A TYR 166.A N TRP 162.A O no hydrogen 3.036 N/A GLU 167.A N PHE 163.A O no hydrogen 2.859 N/A THR 168.A N LYS 164.A O no hydrogen 2.885 N/A THR 168.A OG1 LYS 164.A O no hydrogen 3.005 N/A PHE 169.A N ALA 165.A O no hydrogen 3.086 N/A GLY 170.A N TYR 166.A O no hydrogen 2.693 N/A LEU 172.A N GLU 167.A O no hydrogen 3.168 N/A ILE 174.A N GLU 167.A OE2 no hydrogen 3.017 N/A SER 176.A N ASN 173.A OD1 no hydrogen 3.062 N/A SER 176.A OG ASN 173.A OD1 no hydrogen 2.848 N/A CYS 178.A N ILE 174.A O no hydrogen 2.759 N/A LYS 180.A NZ LEU 138.A O no hydrogen 3.307 N/A PHE 181.A N GLU 135.A OE2 no hydrogen 2.674 N/A ILE 182.A N CYS 178.A O no hydrogen 3.361 N/A ALA 183.A N PRO 179.A O no hydrogen 2.904 N/A TRP 184.A N LYS 180.A O no hydrogen 3.055 N/A TRP 184.A NE1 ASP 153.A OD1 no hydrogen 2.922 N/A ALA 185.A N PHE 181.A O no hydrogen 2.976 N/A LYS 186.A N ILE 182.A O no hydrogen 3.026 N/A ARG 187.A N ALA 183.A O no hydrogen 2.964 N/A ARG 187.A NE THR 142.A O no hydrogen 2.959 N/A ARG 187.A NH2 THR 142.A O no hydrogen 3.501 N/A CYS 188.A N TRP 184.A O no hydrogen 2.881 N/A CYS 188.A SG TRP 184.A O no hydrogen 3.431 N/A LEU 189.A N ALA 185.A O no hydrogen 2.930 N/A GLN 190.A N ARG 187.A O no hydrogen 3.115 N/A LYS 191.A N CYS 188.A O no hydrogen 2.828 N/A LYS 191.A NZ TYR 143.A OH no hydrogen 3.529 N/A SER 193.A OG GLU 24.A OE2 no hydrogen 2.677 N/A ALA 195.A N LYS 191.A O no hydrogen 3.098 N/A LYS 196.A N GLU 192.A O no hydrogen 3.004 N/A SER 197.A N VAL 194.A O no hydrogen 3.253 N/A SER 197.A OG SER 193.A O no hydrogen 2.645 N/A LEU 198.A N VAL 194.A O no hydrogen 3.074 N/A GLN 202.A NE2 GLU 206.A OE2 no hydrogen 2.798 N/A VAL 204.A N ASP 200.A O no hydrogen 3.160 N/A TYR 205.A N GLN 201.A O no hydrogen 2.776 N/A GLU 206.A N GLN 202.A O no hydrogen 2.926 N/A PHE 207.A N LYS 203.A O no hydrogen 3.074 N/A ILE 208.A N VAL 204.A O no hydrogen 2.864 N/A MET 209.A N TYR 205.A O no hydrogen 2.768 N/A ASP 210.A N GLU 206.A O no hydrogen 3.038 N/A LEU 211.A N PHE 207.A O no hydrogen 2.884 N/A ARG 212.A N ILE 208.A O no hydrogen 2.618 N/A ARG 212.A NE TRP 113.A O no hydrogen 2.827 N/A LYS 213.A N MET 209.A O no hydrogen 3.091 N/A LYS 213.A NZ ASP 210.A O no hydrogen 2.667 N/A LYS 213.A NZ ASP 210.A OD2.B no hydrogen 3.294 N/A LYS 214.A N ASP 210.A O no hydrogen 3.226 N/A LEU 215.A N LEU 211.A O no hydrogen 3.049 N/A