Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5dsh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N PRO 1.A O no hydrogen 3.314 N/A LEU 6.A N GLU 2.A O no hydrogen 3.087 N/A ARG 7.A N SER 3.A O no hydrogen 3.180 N/A ALA 8.A N ALA 4.A O no hydrogen 2.894 N/A LEU 9.A N ASP 5.A O no hydrogen 3.018 N/A ALA 10.A N LEU 6.A O no hydrogen 3.021 N/A LYS 11.A N ARG 7.A O no hydrogen 3.208 N/A HIS 12.A N ALA 8.A O no hydrogen 3.245 N/A HIS 12.A NE2 SER 83.A O no hydrogen 2.579 N/A LEU 13.A N LEU 9.A O no hydrogen 3.083 N/A TYR 14.A N ALA 10.A O no hydrogen 2.948 N/A ASP 15.A N LYS 11.A O no hydrogen 2.745 N/A SER 16.A N HIS 12.A O no hydrogen 2.969 N/A SER 16.A OG HIS 12.A O no hydrogen 3.474 N/A SER 16.A OG LEU 13.A O no hydrogen 3.130 N/A SER 16.A OG SER 83.A OG no hydrogen 2.844 N/A TYR 17.A N LEU 13.A O no hydrogen 2.696 N/A TYR 17.A OH ASP 162.A OD1 no hydrogen 2.839 N/A ILE 18.A N TYR 14.A O no hydrogen 2.857 N/A LYS 19.A N ASP 15.A O no hydrogen 3.015 N/A SER 20.A N SER 16.A O no hydrogen 2.945 N/A SER 20.A OG SER 16.A O no hydrogen 2.719 N/A PHE 21.A N TYR 17.A O no hydrogen 2.875 N/A LYS 25.A N ASP 162.A OD1 no hydrogen 2.769 N/A LYS 25.A NZ LEU 160.A O no hydrogen 3.031 N/A ALA 26.A N ASP 162.A OD2 no hydrogen 3.162 N/A LYS 27.A N THR 24.A OG1 no hydrogen 2.983 N/A LYS 27.A NZ PRO 22.A O no hydrogen 3.099 N/A ALA 28.A N THR 24.A O no hydrogen 3.049 N/A ARG 29.A N LYS 25.A O no hydrogen 2.839 N/A ARG 29.A NH1 MET 115.A O no hydrogen 3.134 N/A ARG 29.A NH2 MET 115.A O no hydrogen 2.756 N/A ALA 30.A N ALA 26.A O no hydrogen 3.003 N/A ILE 31.A N LYS 27.A O no hydrogen 3.164 N/A LEU 32.A N ALA 28.A O no hydrogen 3.038 N/A THR 33.A N ARG 29.A O no hydrogen 2.724 N/A THR 33.A OG1 ARG 29.A O no hydrogen 2.969 N/A THR 33.A OG1 ALA 30.A O no hydrogen 3.020 N/A GLY 34.A N ILE 31.A O no hydrogen 3.121 N/A LYS 35.A N THR 33.A OG1 no hydrogen 3.320 N/A THR 36.A N GLY 34.A O no hydrogen 2.711 N/A ASP 38.A N THR 36.A OG1 no hydrogen 3.394 N/A PHE 42.A N GLN 126.A O no hydrogen 2.895 N/A ILE 44.A N PHE 128.A O no hydrogen 2.866 N/A TYR 45.A N SER 49.A OG no hydrogen 3.132 N/A ASP 46.A N SER 49.A OG no hydrogen 2.997 N/A SER 49.A N ASP 46.A OD1 no hydrogen 2.876 N/A SER 49.A OG ASP 46.A O no hydrogen 2.910 N/A SER 49.A OG ASP 46.A OD1 no hydrogen 2.708 N/A LEU 50.A N ASP 46.A O no hydrogen 2.871 N/A MET 51.A N MET 47.A O no hydrogen 3.109 N/A MET 52.A N ASN 48.A O no hydrogen 2.983 N/A GLY 53.A N SER 49.A O no hydrogen 2.743 N/A GLU 54.A N LEU 50.A O no hydrogen 2.941 N/A LYS 56.A N GLY 53.A O no hydrogen 2.674 N/A ARG 61.A N GLU 57.A O no hydrogen 2.870 N/A ARG 61.A NH1 GLU 54.A OE1 no hydrogen 2.585 N/A ILE 62.A N VAL 58.A O no hydrogen 2.933 N/A PHE 63.A N ALA 59.A O no hydrogen 3.100 N/A GLN 64.A N ILE 60.A O no hydrogen 2.779 N/A GLN 64.A NE2 SER 245.A O no hydrogen 3.113 N/A GLY 65.A N ARG 61.A O no hydrogen 2.871 N/A CYS 66.A N ILE 62.A O no hydrogen 2.719 N/A GLN 67.A N PHE 63.A O no hydrogen 2.807 N/A GLN 67.A NE2 SER 245.A O no hydrogen 3.411 N/A PHE 68.A N GLN 64.A O no hydrogen 3.030 N/A ARG 69.A N GLY 65.A O no hydrogen 3.191 N/A ARG 69.A NH2 GLU 76.A OE2 no hydrogen 3.249 N/A SER 70.A N CYS 66.A O no hydrogen 3.027 N/A VAL 71.A N GLN 67.A O no hydrogen 3.237 N/A ALA 73.A N ARG 69.A O no hydrogen 3.022 N/A VAL 74.A N SER 70.A O no hydrogen 2.985 N/A GLN 75.A N VAL 71.A O no hydrogen 3.009 N/A GLU 76.A N GLU 72.A O no hydrogen 2.961 N/A ILE 77.A N ALA 73.A O no hydrogen 2.764 N/A THR 78.A N VAL 74.A O no hydrogen 2.885 N/A THR 78.A OG1 VAL 74.A O no hydrogen 2.685 N/A GLU 79.A N GLN 75.A O no hydrogen 3.158 N/A TYR 80.A N GLU 76.A O no hydrogen 2.963 N/A TYR 80.A OH ALA 166.A O no hydrogen 2.405 N/A ALA 81.A N ILE 77.A O no hydrogen 2.852 N/A LYS 82.A N THR 78.A O no hydrogen 3.442 N/A LYS 82.A NZ GLU 79.A OE2 no hydrogen 3.066 N/A SER 83.A N TYR 80.A O no hydrogen 2.973 N/A SER 83.A OG SER 16.A OG no hydrogen 2.844 N/A SER 83.A OG TYR 80.A O no hydrogen 2.338 N/A ILE 84.A N ALA 81.A O no hydrogen 2.813 N/A PHE 87.A N ILE 84.A O no hydrogen 2.851 N/A LEU 90.A N PHE 87.A O no hydrogen 3.288 N/A GLN 95.A N ASP 91.A O no hydrogen 2.907 N/A GLN 95.A NE2 LEU 90.A O no hydrogen 3.058 N/A VAL 96.A N LEU 92.A O no hydrogen 3.174 N/A THR 97.A N ASN 93.A O no hydrogen 3.115 N/A THR 97.A OG1 ASN 93.A O no hydrogen 2.655 N/A LEU 98.A N ASP 94.A O no hydrogen 2.814 N/A LEU 99.A N GLN 95.A O no hydrogen 3.212 N/A LYS 100.A N VAL 96.A O no hydrogen 2.892 N/A LYS 100.A NZ LYS 255.A O no hydrogen 2.628 N/A TYR 101.A N THR 97.A O no hydrogen 3.243 N/A GLY 102.A N LEU 98.A O no hydrogen 2.902 N/A VAL 103.A N LEU 99.A O no hydrogen 3.044 N/A ILE 106.A N GLY 102.A O no hydrogen 3.010 N/A ILE 107.A N VAL 103.A O no hydrogen 2.751 N/A TYR 108.A N HIS 104.A O no hydrogen 3.124 N/A THR 109.A N GLU 105.A O no hydrogen 3.060 N/A THR 109.A OG1 GLU 105.A O no hydrogen 3.095 N/A MET 110.A N ILE 106.A O no hydrogen 2.791 N/A LEU 111.A N ILE 107.A O no hydrogen 2.736 N/A ALA 112.A N TYR 108.A O no hydrogen 3.373 N/A SER 113.A N MET 110.A O no hydrogen 3.084 N/A MET 115.A N ALA 112.A O no hydrogen 3.250 N/A ASN 116.A N GLY 119.A O no hydrogen 3.029 N/A ASP 118.A N ASN 116.A OD1 no hydrogen 2.842 N/A GLY 119.A N ASN 116.A OD1 no hydrogen 3.011 N/A VAL 120.A N MET 129.A O no hydrogen 2.923 N/A LEU 121.A N LEU 114.A O no hydrogen 2.901 N/A ILE 122.A N GLY 127.A O no hydrogen 2.855 N/A GLN 126.A N ILE 122.A O no hydrogen 3.075 N/A GLN 126.A N SER 123.A O no hydrogen 3.113 N/A GLY 127.A N ILE 122.A O no hydrogen 2.996 N/A PHE 128.A N PHE 42.A O no hydrogen 3.249 N/A MET 129.A N VAL 120.A O no hydrogen 3.020 N/A THR 130.A N ILE 44.A O no hydrogen 3.045 N/A THR 130.A OG1 ILE 44.A O no hydrogen 3.432 N/A ARG 131.A N ASP 118.A O no hydrogen 2.659 N/A ARG 131.A NE GLU 146.A OE1 no hydrogen 3.024 N/A ARG 131.A NE GLU 146.A OE2 no hydrogen 2.957 N/A ARG 131.A NH1 LYS 117.A O no hydrogen 2.871 N/A ARG 131.A NH2 GLU 146.A OE2 no hydrogen 2.700 N/A PHE 133.A N THR 130.A OG1 no hydrogen 3.149 N/A LEU 134.A N THR 130.A O no hydrogen 3.190 N/A LYS 135.A N ARG 131.A O no hydrogen 2.950 N/A SER 136.A N GLU 132.A O no hydrogen 3.107 N/A SER 136.A OG PHE 133.A O no hydrogen 2.698 N/A LEU 137.A N LEU 134.A O no hydrogen 3.332 N/A ARG 138.A NE GLU 57.A OE2 no hydrogen 3.362 N/A ARG 138.A NH1 LYS 139.A O no hydrogen 3.251 N/A ARG 138.A NH1 GLU 241.A OE2 no hydrogen 2.806 N/A ARG 138.A NH2 GLU 57.A OE1 no hydrogen 3.260 N/A ARG 138.A NH2 GLU 57.A OE2 no hydrogen 3.137 N/A ARG 138.A NH2 GLU 241.A OE2 no hydrogen 3.561 N/A GLY 142.A N ARG 138.A O no hydrogen 3.113 N/A PHE 144.A N PHE 141.A O no hydrogen 3.500 N/A LYS 148.A NZ TYR 108.A OH no hydrogen 2.567 N/A LYS 148.A NZ PHE 144.A O no hydrogen 3.105 N/A PHE 149.A N MET 145.A O no hydrogen 3.175 N/A GLU 150.A N GLU 146.A O no hydrogen 2.920 N/A PHE 151.A N PRO 147.A O no hydrogen 3.004 N/A ALA 152.A N LYS 148.A O no hydrogen 2.915 N/A VAL 153.A N PHE 149.A O no hydrogen 3.103 N/A PHE 155.A N PHE 151.A O no hydrogen 2.898 N/A ASN 156.A N ALA 152.A O no hydrogen 2.866 N/A ASN 156.A ND2 ALA 112.A O no hydrogen 2.879 N/A LEU 158.A N PHE 155.A O no hydrogen 3.107 N/A GLU 159.A N ASN 156.A O no hydrogen 2.854 N/A ASP 161.A N ASP 164.A OD2 no hydrogen 2.822 N/A ASP 162.A N ASP 161.A OD1 no hydrogen 2.690 N/A SER 163.A OG ASP 161.A OD2 no hydrogen 2.731 N/A LEU 165.A N ASP 161.A O no hydrogen 2.907 N/A ALA 166.A N ASP 162.A O no hydrogen 2.944 N/A ILE 167.A N ASP 164.A O no hydrogen 3.284 N/A PHE 168.A N ASP 164.A O no hydrogen 3.044 N/A ILE 169.A N LEU 165.A O no hydrogen 2.853 N/A ALA 170.A N ALA 166.A O no hydrogen 3.429 N/A VAL 171.A N ILE 167.A O no hydrogen 2.904 N/A ILE 172.A N PHE 168.A O no hydrogen 3.014 N/A ILE 173.A N ILE 169.A O no hydrogen 2.975 N/A LEU 174.A N ALA 170.A O no hydrogen 3.130 N/A SER 175.A OG ILE 172.A O no hydrogen 3.357 N/A ARG 178.A NH1 GLU 105.A OE2 no hydrogen 3.019 N/A ARG 178.A NH2 GLU 105.A OE1 no hydrogen 2.978 N/A ARG 178.A NH2 ILE 172.A O no hydrogen 3.458 N/A LEU 182.A N ASP 94.A OD1 no hydrogen 2.991 N/A ASN 183.A N ASP 94.A OD2 no hydrogen 3.273 N/A GLU 188.A N VAL 184.A O no hydrogen 2.986 N/A ASP 189.A N LYS 185.A O no hydrogen 2.835 N/A ILE 190.A N PRO 186.A O no hydrogen 3.309 N/A GLN 191.A N ILE 187.A O no hydrogen 2.986 N/A GLN 191.A NE2 VAL 171.A O no hydrogen 3.192 N/A ASP 192.A N GLU 188.A O no hydrogen 2.930 N/A ASN 193.A N ASP 189.A O no hydrogen 3.489 N/A ASN 193.A ND2 ASP 189.A O no hydrogen 3.590 N/A LEU 194.A N ILE 190.A O no hydrogen 2.860 N/A LEU 195.A N GLN 191.A O no hydrogen 2.872 N/A GLN 196.A N ASP 192.A O no hydrogen 3.079 N/A ALA 197.A N ASN 193.A O no hydrogen 3.008 N/A LEU 198.A N LEU 194.A O no hydrogen 2.650 N/A GLU 199.A N LEU 195.A O no hydrogen 2.831 N/A LEU 200.A N GLN 196.A O no hydrogen 2.967 N/A GLN 201.A N ALA 197.A O no hydrogen 2.940 N/A GLN 201.A NE2 ASP 164.A OD1 no hydrogen 3.048 N/A LEU 202.A N LEU 198.A O no hydrogen 3.061 N/A LYS 203.A N GLU 199.A O no hydrogen 3.165 N/A LEU 204.A N LEU 200.A O no hydrogen 2.820 N/A ASN 205.A N GLN 201.A O no hydrogen 2.698 N/A ASN 205.A ND2 ASP 161.A OD2 no hydrogen 3.416 N/A ASN 205.A ND2 ASP 164.A OD1 no hydrogen 2.868 N/A ASN 205.A ND2 ASP 164.A OD2 no hydrogen 3.388 N/A HIS 206.A N LEU 202.A O no hydrogen 2.795 N/A HIS 206.A NE2 ASP 164.A OD2 no hydrogen 2.615 N/A GLU 208.A N GLU 208.A OE1 no hydrogen 2.808 N/A SER 209.A N HIS 206.A O no hydrogen 3.169 N/A LYS 215.A N GLN 211.A O no hydrogen 3.131 N/A LEU 216.A N LEU 212.A O no hydrogen 2.641 N/A LEU 217.A N PHE 213.A O no hydrogen 3.108 N/A GLN 218.A N ALA 214.A O no hydrogen 3.182 N/A LYS 219.A N LYS 215.A O no hydrogen 3.151 N/A MET 220.A N LEU 216.A O no hydrogen 3.256 N/A THR 221.A N GLN 218.A O no hydrogen 3.266 N/A THR 221.A OG1 LEU 217.A O no hydrogen 3.193 N/A ASP 222.A N GLN 218.A O no hydrogen 3.340 N/A LEU 223.A N LYS 219.A O no hydrogen 2.950 N/A GLN 225.A N ASP 222.A O no hydrogen 3.023 N/A ILE 226.A N ASP 222.A O no hydrogen 3.090 N/A VAL 227.A N LEU 223.A O no hydrogen 2.789 N/A THR 228.A N ARG 224.A O no hydrogen 3.080 N/A THR 228.A OG1 ARG 224.A O no hydrogen 2.677 N/A GLU 229.A N GLN 225.A O no hydrogen 2.689 N/A HIS 230.A N ILE 226.A O no hydrogen 3.046 N/A VAL 231.A N VAL 227.A O no hydrogen 2.906 N/A GLN 232.A N THR 228.A O no hydrogen 2.902 N/A LEU 233.A N GLU 229.A O no hydrogen 3.118 N/A LEU 234.A N HIS 230.A O no hydrogen 3.124 N/A GLN 235.A N VAL 231.A O no hydrogen 3.067 N/A VAL 236.A N GLN 232.A O no hydrogen 2.918 N/A ILE 237.A N LEU 233.A O no hydrogen 2.953 N/A LYS 238.A N LEU 234.A O no hydrogen 2.787 N/A LYS 239.A N GLN 235.A O no hydrogen 3.284 N/A THR 240.A N VAL 236.A O no hydrogen 3.073 N/A THR 240.A OG1 VAL 236.A O no hydrogen 3.124 N/A GLU 241.A N ILE 237.A O no hydrogen 3.334 N/A HIS 247.A N GLN 67.A OE1 no hydrogen 2.526 N/A LEU 249.A N HIS 247.A ND1 no hydrogen 3.231 N/A GLN 251.A N HIS 247.A O no hydrogen 3.046 N/A GLU 252.A N PRO 248.A O no hydrogen 2.971 N/A ILE 253.A N LEU 249.A O no hydrogen 3.262 N/A TYR 254.A N LEU 250.A O no hydrogen 2.738 N/A LYS 255.A N GLN 251.A O no hydrogen 2.652 N/A LEU 257.A N TYR 254.A O no hydrogen 3.318 N/A