Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bie_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH GLU 69.A OE1 no hydrogen 2.697 N/A ASP 5.A N ARG 29.A O no hydrogen 3.086 N/A TYR 6.A OH GLU 41.A OE2 no hydrogen 2.490 N/A GLU 7.A N ALA 27.A O no hydrogen 2.940 N/A ASP 9.A N ASP 13.A O no hydrogen 2.784 N/A ASN 11.A N ASP 9.A OD1 no hydrogen 3.101 N/A GLY 12.A N ASP 9.A O no hydrogen 3.307 N/A ASP 13.A N ASP 9.A OD1 no hydrogen 2.820 N/A ARG 14.A NH1 GLU 41.A OE1 no hydrogen 2.706 N/A VAL 15.A N GLU 7.A O no hydrogen 2.783 N/A LEU 17.A N VAL 25.A O no hydrogen 2.773 N/A GLY 18.A N VAL 25.A O no hydrogen 3.454 N/A GLY 20.A N GLY 23.A O no hydrogen 2.773 N/A VAL 25.A N GLY 18.A O no hydrogen 2.766 N/A TYR 26.A N ILE 39.A O no hydrogen 2.813 N/A ALA 27.A N VAL 15.A O no hydrogen 2.816 N/A GLY 28.A N ILE 37.A O no hydrogen 2.699 N/A ARG 29.A N ASP 5.A O no hydrogen 2.834 N/A ARG 29.A NH1 GLU 7.A OE2 no hydrogen 2.928 N/A ASP 30.A N VAL 35.A O no hydrogen 2.704 N/A LEU 31.A N GLU 3.A O no hydrogen 2.909 N/A SER 32.A N ASP 30.A OD1 no hydrogen 3.245 N/A SER 32.A OG ASP 30.A OD1 no hydrogen 2.917 N/A ASN 33.A N ASP 30.A O no hydrogen 3.500 N/A GLN 34.A N ASP 30.A O no hydrogen 2.826 N/A GLN 34.A NE2 LEU 31.A O no hydrogen 3.329 N/A VAL 35.A N ASN 33.A OD1 no hydrogen 2.881 N/A ILE 37.A N GLY 28.A O no hydrogen 2.872 N/A ALA 38.A N MET 77.A O no hydrogen 2.880 N/A ILE 39.A N TYR 26.A O no hydrogen 2.780 N/A LYS 40.A N ILE 75.A O no hydrogen 2.767 N/A LYS 40.A NZ GLU 48.A OE2 no hydrogen 2.948 N/A GLU 41.A N ILE 24.A O no hydrogen 2.765 N/A ILE 42.A N ILE 73.A O no hydrogen 2.891 N/A GLU 44.A N GLY 71.A O no hydrogen 3.168 N/A LEU 51.A N GLU 47.A O no hydrogen 3.146 N/A HIS 52.A N GLU 48.A O no hydrogen 2.972 N/A HIS 52.A NE2 VAL 61.A O no hydrogen 2.750 N/A LYS 53.A N ILE 49.A O no hydrogen 2.966 N/A LEU 55.A N HIS 52.A O no hydrogen 3.052 N/A LYS 56.A N TYR 116.A OH no hydrogen 2.832 N/A LYS 58.A NZ ASN 59.A OD1 no hydrogen 2.977 N/A LYS 58.A NZ GLU 112.A OE1 no hydrogen 3.177 N/A ASN 59.A N HIS 57.A ND1 no hydrogen 2.953 N/A ASN 59.A ND2 GLN 109.A OE1 no hydrogen 3.136 N/A ASN 59.A ND2 LEU 141.A O no hydrogen 2.843 N/A ILE 60.A N HIS 57.A O no hydrogen 3.180 N/A VAL 61.A N ILE 143.A O no hydrogen 3.040 N/A GLN 62.A N GLU 78.A OE2 no hydrogen 2.689 N/A GLN 62.A NE2 LEU 55.A O no hydrogen 3.514 N/A GLN 62.A NE2 TYR 63.A O no hydrogen 3.228 N/A TYR 63.A OH SER 66.A OG no hydrogen 2.573 N/A LEU 64.A N PHE 76.A O no hydrogen 2.652 N/A GLY 65.A N PHE 76.A O no hydrogen 3.348 N/A SER 66.A OG TYR 63.A OH no hydrogen 2.573 N/A PHE 67.A N LYS 74.A O no hydrogen 3.122 N/A GLU 69.A N PHE 72.A O no hydrogen 2.843 N/A ASN 70.A ND2 ASN 70.A O no hydrogen 3.126 N/A PHE 72.A N GLU 69.A O no hydrogen 2.623 N/A ILE 73.A N ILE 42.A O no hydrogen 2.864 N/A LYS 74.A N PHE 67.A O no hydrogen 2.869 N/A LYS 74.A NZ TYR 4.A OH no hydrogen 2.803 N/A LYS 74.A NZ TYR 6.A OH no hydrogen 2.782 N/A LYS 74.A NZ GLU 69.A OE1 no hydrogen 3.439 N/A LYS 74.A NZ ASN 70.A OD1 no hydrogen 2.779 N/A ILE 75.A N LYS 40.A O no hydrogen 2.827 N/A PHE 76.A N GLY 65.A O no hydrogen 2.812 N/A MET 77.A N ALA 38.A O no hydrogen 2.883 N/A GLU 78.A N GLN 62.A O no hydrogen 2.950 N/A GLY 83.A N ILE 134.A O no hydrogen 3.245 N/A LEU 85.A N VAL 132.A O no hydrogen 2.915 N/A SER 86.A N GLY 129.A O no hydrogen 3.197 N/A SER 86.A OG ASP 130.A OD1 no hydrogen 2.586 N/A ALA 87.A N SER 84.A OG no hydrogen 3.135 N/A LEU 88.A N SER 84.A O no hydrogen 2.985 N/A LEU 89.A N LEU 85.A O no hydrogen 2.938 N/A ARG 90.A N SER 86.A O no hydrogen 3.087 N/A SER 91.A N ALA 87.A O no hydrogen 2.907 N/A SER 91.A OG ALA 87.A O no hydrogen 3.221 N/A LYS 92.A N LEU 88.A O no hydrogen 2.798 N/A TRP 93.A N LEU 88.A O no hydrogen 2.810 N/A GLY 94.A N LEU 89.A O no hydrogen 2.829 N/A LEU 96.A N MET 191.A O no hydrogen 2.760 N/A LYS 97.A N ALA 192.A O no hydrogen 2.935 N/A ASN 99.A N LEU 96.A O no hydrogen 2.712 N/A THR 102.A N ASN 99.A OD1 no hydrogen 3.133 N/A THR 102.A OG1 ASN 99.A OD1 no hydrogen 2.935 N/A ILE 103.A N ASN 99.A O no hydrogen 3.207 N/A GLY 104.A N GLU 100.A O no hydrogen 2.818 N/A PHE 105.A N GLN 101.A O no hydrogen 2.863 N/A TYR 106.A N THR 102.A O no hydrogen 3.118 N/A THR 107.A N ILE 103.A O no hydrogen 2.813 N/A THR 107.A OG1 ILE 103.A O no hydrogen 2.686 N/A LYS 108.A N GLY 104.A O no hydrogen 3.052 N/A GLN 109.A NE2 PHE 105.A O no hydrogen 3.242 N/A GLN 109.A NE2 GLY 139.A O no hydrogen 2.883 N/A ILE 110.A N TYR 106.A O no hydrogen 3.088 N/A LEU 111.A N THR 107.A O no hydrogen 2.937 N/A GLU 112.A N LYS 108.A O no hydrogen 2.816 N/A GLY 113.A N GLN 109.A O no hydrogen 2.974 N/A LEU 114.A N ILE 110.A O no hydrogen 2.849 N/A LYS 115.A N LEU 111.A O no hydrogen 2.713 N/A LYS 115.A NZ ASP 119.A OD2 no hydrogen 2.947 N/A LYS 115.A NZ ASN 247.A OD1 no hydrogen 2.967 N/A TYR 116.A N GLU 112.A O no hydrogen 3.219 N/A LEU 117.A N GLY 113.A O no hydrogen 3.026 N/A HIS 118.A N LEU 114.A O no hydrogen 2.748 N/A HIS 118.A NE2 ASP 180.A OD2 no hydrogen 2.872 N/A ASP 119.A N LYS 115.A O no hydrogen 2.822 N/A ASN 120.A N LEU 117.A O no hydrogen 3.233 N/A GLN 121.A N HIS 118.A O no hydrogen 2.904 N/A GLN 121.A NE2 ASP 119.A O no hydrogen 3.413 N/A ILE 122.A N LEU 117.A O no hydrogen 2.776 N/A VAL 123.A N LYS 150.A O no hydrogen 3.202 N/A HIS 124.A N ASP 180.A OD2 no hydrogen 2.793 N/A HIS 124.A NE2 SER 144.A O no hydrogen 3.163 N/A ARG 125.A N ASP 180.A OD1 no hydrogen 2.808 N/A ARG 125.A NE THR 148.A O no hydrogen 2.969 N/A ARG 125.A NH2 THR 148.A O no hydrogen 2.767 N/A ASP 126.A N HIS 124.A ND1 no hydrogen 3.017 N/A LYS 128.A NZ THR 159.A OG1 no hydrogen 2.804 N/A GLY 129.A N GLU 190.A OE1 no hydrogen 3.072 N/A ASN 131.A N LYS 128.A O no hydrogen 3.049 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.773 N/A LEU 133.A N LYS 142.A O no hydrogen 2.688 N/A ILE 134.A N GLY 83.A O no hydrogen 2.773 N/A ASN 135.A N VAL 140.A O no hydrogen 2.844 N/A THR 136.A N PRO 81.A O no hydrogen 3.006 N/A THR 136.A OG1 PRO 81.A O no hydrogen 3.554 N/A TYR 137.A N ASN 135.A OD1 no hydrogen 2.975 N/A SER 138.A N ASN 135.A OD1 no hydrogen 2.896 N/A GLY 139.A N ASN 135.A O no hydrogen 2.746 N/A VAL 140.A N SER 138.A OG no hydrogen 3.350 N/A LEU 141.A N GLN 109.A OE1 no hydrogen 2.800 N/A LYS 142.A N LEU 133.A O no hydrogen 2.679 N/A LYS 142.A NZ LYS 58.A O no hydrogen 3.015 N/A LYS 142.A NZ GLU 78.A OE2 no hydrogen 3.113 N/A ILE 143.A N ASN 59.A O no hydrogen 2.819 N/A SER 144.A N ASN 131.A O no hydrogen 2.942 N/A GLY 147.A N ASP 145.A OD1 no hydrogen 2.962 N/A THR 148.A OG1 HIS 124.A O no hydrogen 2.615 N/A SER 149.A OG PHE 146.A O no hydrogen 2.740 N/A LYS 150.A N VAL 123.A O no hydrogen 3.250 N/A LEU 152.A N GLN 121.A O no hydrogen 2.789 N/A GLY 158.A N TYR 175.A OH no hydrogen 2.863 N/A THR 159.A N ASP 126.A OD1 no hydrogen 3.111 N/A THR 159.A OG1 ASP 126.A OD1 no hydrogen 2.645 N/A THR 159.A OG1 ASP 126.A OD2 no hydrogen 3.447 N/A GLN 161.A N GLN 161.A OE1 no hydrogen 2.806 N/A TYR 162.A N THR 159.A O no hydrogen 3.179 N/A TYR 162.A OH GLU 190.A OE1 no hydrogen 2.653 N/A MET 163.A N LEU 160.A O no hydrogen 3.070 N/A ILE 167.A N ALA 164.A O no hydrogen 3.044 N/A ILE 168.A N ALA 164.A O no hydrogen 3.459 N/A ASP 169.A N PRO 165.A O no hydrogen 2.982 N/A LYS 170.A N GLU 166.A O no hydrogen 2.965 N/A GLY 171.A N ILE 167.A O no hydrogen 2.782 N/A GLY 174.A N GLY 171.A O no hydrogen 3.103 N/A TYR 175.A N PRO 172.A O no hydrogen 3.308 N/A LYS 177.A NZ HIS 118.A O no hydrogen 3.159 N/A LYS 177.A NZ GLN 121.A OE1 no hydrogen 3.069 N/A ALA 179.A N GLY 176.A O no hydrogen 3.198 N/A ASP 180.A N LYS 177.A O no hydrogen 2.971 N/A ILE 181.A N ALA 178.A O no hydrogen 3.199 N/A TRP 182.A N ALA 178.A O no hydrogen 3.225 N/A SER 183.A N ALA 179.A O no hydrogen 3.198 N/A SER 183.A OG TYR 162.A O no hydrogen 2.874 N/A SER 183.A OG ALA 179.A O no hydrogen 3.270 N/A LEU 184.A N ASP 180.A O no hydrogen 2.823 N/A GLY 185.A N ILE 181.A O no hydrogen 2.935 N/A CYS 186.A N TRP 182.A O no hydrogen 3.069 N/A CYS 186.A SG GLN 161.A O no hydrogen 3.912 N/A CYS 186.A SG TRP 182.A O no hydrogen 3.434 N/A THR 187.A N SER 183.A O no hydrogen 2.961 N/A THR 187.A OG1 SER 183.A O no hydrogen 2.890 N/A ILE 188.A N LEU 184.A O no hydrogen 2.802 N/A ILE 189.A N GLY 185.A O no hydrogen 3.112 N/A GLU 190.A N CYS 186.A O no hydrogen 2.957 N/A MET 191.A N THR 187.A O no hydrogen 2.916 N/A ALA 192.A N ILE 188.A O no hydrogen 2.841 N/A THR 193.A N ILE 189.A O no hydrogen 2.813 N/A THR 193.A OG1 ILE 189.A O no hydrogen 2.891 N/A GLY 194.A N GLU 190.A O no hydrogen 2.728 N/A LYS 195.A N THR 193.A OG1 no hydrogen 3.371 N/A TYR 199.A N PRO 196.A O no hydrogen 3.265 N/A LEU 201.A N PHE 198.A O no hydrogen 3.080 N/A GLY 202.A N TYR 199.A O no hydrogen 3.222 N/A ALA 206.A N GLU 203.A O no hydrogen 3.017 N/A ALA 207.A N PRO 204.A O no hydrogen 3.257 N/A PHE 209.A N GLN 205.A O no hydrogen 3.160 N/A LYS 210.A N ALA 206.A O no hydrogen 3.232 N/A VAL 211.A N ALA 207.A O no hydrogen 2.930 N/A GLY 212.A N MET 208.A O no hydrogen 3.003 N/A MET 213.A N PHE 209.A O no hydrogen 2.723 N/A PHE 214.A N LYS 210.A O no hydrogen 2.833 N/A LYS 215.A N VAL 211.A O no hydrogen 2.930 N/A HIS 217.A ND1 PRO 218.A O no hydrogen 2.663 N/A MET 224.A N PRO 221.A O no hydrogen 3.281 N/A SER 225.A N GLU 100.A OE2 no hydrogen 2.956 N/A SER 225.A OG GLU 100.A OE1 no hydrogen 2.640 N/A SER 225.A OG GLU 227.A OE1 no hydrogen 3.494 N/A ALA 228.A N SER 225.A OG no hydrogen 3.139 N/A LYS 229.A N SER 225.A O no hydrogen 2.975 N/A LYS 229.A NZ GLU 222.A O no hydrogen 2.611 N/A ALA 230.A N ALA 226.A O no hydrogen 3.050 N/A PHE 231.A N GLU 227.A O no hydrogen 3.087 N/A ILE 232.A N ALA 228.A O no hydrogen 2.787 N/A LEU 233.A N LYS 229.A O no hydrogen 2.852 N/A LYS 234.A N ALA 230.A O no hydrogen 3.271 N/A LYS 234.A NZ ASP 252.A OD2 no hydrogen 3.163 N/A CYS 235.A N ILE 232.A O no hydrogen 2.952 N/A CYS 235.A SG PHE 231.A O no hydrogen 3.785 N/A PHE 236.A N LEU 233.A O no hydrogen 3.100 N/A ASP 239.A N GLU 237.A OE2 no hydrogen 3.120 N/A LYS 242.A N ASP 239.A O no hydrogen 3.041 N/A ARG 243.A N ASP 239.A O no hydrogen 3.040 N/A ARG 243.A NE GLU 237.A O no hydrogen 2.804 N/A ARG 243.A NH1 GLU 166.A OE2 no hydrogen 2.518 N/A ARG 243.A NH1 ALA 178.A O no hydrogen 2.769 N/A ARG 243.A NH2 GLU 166.A OE2 no hydrogen 3.115 N/A ARG 243.A NH2 GLU 237.A O no hydrogen 2.737 N/A CYS 245.A N ASP 248.A OD2 no hydrogen 3.379 N/A LEU 249.A N CYS 245.A O no hydrogen 3.158 N/A LEU 250.A N ALA 246.A O no hydrogen 3.012 N/A VAL 251.A N ASP 248.A O no hydrogen 3.285 N/A ASP 252.A N LEU 249.A O no hydrogen 3.258 N/A PHE 254.A N ASP 252.A OD1 no hydrogen 3.054 N/A LEU 255.A N ASP 252.A O no hydrogen 3.228 N/A LYS 256.A N GLU 253.A O no hydrogen 2.921 N/A