Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bus_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLY 161.A O no hydrogen 3.141 N/A TRP 2.A N GLY 161.A O no hydrogen 2.677 N/A PHE 8.A N GLU 113.A OE2 no hydrogen 2.976 N/A GLY 9.A N SER 197.A OG no hydrogen 2.952 N/A TYR 10.A N ALA 23.A O no hydrogen 2.841 N/A TRP 11.A N GLN 193.A O no hydrogen 2.840 N/A TRP 11.A NE1 SER 197.A OG no hydrogen 3.077 N/A VAL 18.A N ALA 16.A O no hydrogen 2.845 N/A SER 19.A N ASP 22.A OD2 no hydrogen 3.202 N/A ASP 22.A N SER 19.A OG no hydrogen 3.032 N/A ALA 23.A N SER 19.A O no hydrogen 3.179 N/A THR 24.A N VAL 20.A O no hydrogen 3.186 N/A THR 24.A OG1 VAL 20.A O no hydrogen 2.774 N/A ASP 25.A N ASP 21.A O no hydrogen 3.151 N/A ARG 26.A N ASP 22.A O no hydrogen 3.101 N/A LEU 27.A N ALA 23.A O no hydrogen 3.243 N/A THR 28.A N THR 24.A O no hydrogen 3.159 N/A THR 28.A OG1 THR 24.A O no hydrogen 3.210 N/A ASP 29.A N ASP 25.A O no hydrogen 2.876 N/A GLU 30.A N ARG 26.A O no hydrogen 3.042 N/A ALA 32.A N ASP 29.A O no hydrogen 3.174 N/A ARG 37.A N ASP 40.A OD2 no hydrogen 3.090 N/A GLY 39.A N ASP 61.A O no hydrogen 2.827 N/A ASP 40.A N ARG 37.A O no hydrogen 3.073 N/A ARG 41.A N ASP 107.A OD2 no hydrogen 2.706 N/A VAL 42.A N ARG 63.A O no hydrogen 2.616 N/A LEU 43.A N ALA 108.A O no hydrogen 2.988 N/A ASP 44.A N THR 65.A O no hydrogen 3.019 N/A VAL 45.A N TRP 110.A O no hydrogen 2.959 N/A GLY 46.A N ILE 67.A O no hydrogen 2.763 N/A CYS 47.A N ILE 67.A O no hydrogen 3.042 N/A CYS 47.A SG GLY 48.A O no hydrogen 3.733 N/A GLY 50.A N CYS 47.A O no hydrogen 3.063 N/A VAL 54.A N GLY 50.A O no hydrogen 3.063 N/A ARG 55.A N LYS 51.A O no hydrogen 3.009 N/A LEU 56.A N PRO 52.A O no hydrogen 3.093 N/A ALA 57.A N ALA 53.A O no hydrogen 3.140 N/A THR 58.A N VAL 54.A O no hydrogen 2.995 N/A THR 58.A OG1 VAL 54.A O no hydrogen 2.791 N/A ALA 59.A N LEU 56.A O no hydrogen 3.147 N/A ARG 60.A N LEU 56.A O no hydrogen 2.906 N/A ARG 63.A N ASP 40.A O no hydrogen 2.944 N/A ARG 63.A NH1 ASN 88.A O no hydrogen 2.966 N/A ARG 63.A NH2 ASN 88.A O no hydrogen 3.506 N/A THR 65.A N VAL 42.A O no hydrogen 2.928 N/A GLY 66.A N THR 91.A O no hydrogen 2.957 N/A ILE 67.A N ASP 44.A O no hydrogen 3.091 N/A SER 68.A OG GLN 73.A OE1 no hydrogen 3.251 N/A SER 70.A N SER 68.A OG no hydrogen 3.145 N/A VAL 74.A N SER 70.A O no hydrogen 3.315 N/A ASN 75.A N ARG 71.A O no hydrogen 3.188 N/A GLN 76.A N PRO 72.A O no hydrogen 2.875 N/A ALA 77.A N GLN 73.A O no hydrogen 2.852 N/A ASN 78.A N VAL 74.A O no hydrogen 2.931 N/A ASN 78.A ND2 PHE 92.A O no hydrogen 3.001 N/A ALA 79.A N ASN 75.A O no hydrogen 3.058 N/A ARG 80.A N GLN 76.A O no hydrogen 2.879 N/A ALA 81.A N ALA 77.A O no hydrogen 2.936 N/A THR 82.A N ASN 78.A O no hydrogen 2.874 N/A ALA 83.A N ALA 79.A O no hydrogen 2.777 N/A ALA 84.A N ARG 80.A O no hydrogen 3.172 N/A ALA 84.A N ALA 81.A O no hydrogen 3.200 N/A GLY 85.A N THR 82.A O no hydrogen 3.202 N/A LEU 86.A N ALA 81.A O no hydrogen 3.071 N/A ARG 89.A N LEU 86.A O no hydrogen 3.285 N/A ARG 89.A NH1 ALA 57.A O no hydrogen 3.241 N/A ARG 89.A NH1 ARG 60.A O no hydrogen 3.236 N/A ARG 89.A NH1 VAL 62.A O no hydrogen 3.327 N/A ARG 89.A NH2 ALA 57.A O no hydrogen 3.128 N/A VAL 90.A N LEU 86.A O no hydrogen 2.766 N/A THR 91.A N VAL 64.A O no hydrogen 3.302 N/A PHE 92.A N ASN 78.A OD1 no hydrogen 3.043 N/A SER 93.A N GLY 66.A O no hydrogen 3.050 N/A ALA 95.A N SER 68.A O no hydrogen 3.049 N/A LEU 99.A N GLU 126.A OE2 no hydrogen 2.799 N/A SER 105.A N VAL 129.A O no hydrogen 2.743 N/A SER 105.A OG GLU 102.A O no hydrogen 2.385 N/A PHE 106.A N VAL 129.A O no hydrogen 3.101 N/A ASP 107.A N ARG 41.A O no hydrogen 3.038 N/A ALA 108.A N ARG 41.A O no hydrogen 3.110 N/A VAL 109.A N THR 135.A O no hydrogen 3.141 N/A TRP 110.A N LEU 43.A O no hydrogen 2.849 N/A TRP 110.A NE1 ASP 44.A OD1 no hydrogen 2.751 N/A ALA 111.A N ALA 137.A O no hydrogen 2.918 N/A GLU 113.A N ALA 139.A O no hydrogen 2.698 N/A SER 114.A OG VAL 45.A O no hydrogen 2.742 N/A HIS 116.A ND1 ASP 140.A OD1 no hydrogen 2.664 N/A HIS 117.A N SER 114.A O no hydrogen 3.241 N/A LEU 124.A N ARG 120.A O no hydrogen 3.002 N/A ARG 125.A N GLY 121.A O no hydrogen 2.877 N/A GLU 126.A N ARG 122.A O no hydrogen 2.935 N/A ARG 128.A N ARG 125.A O no hydrogen 3.059 N/A ARG 128.A NE GLU 126.A OE1 no hydrogen 3.303 N/A ARG 128.A NH1 PHE 101.A O no hydrogen 3.190 N/A ARG 128.A NH1 ASP 103.A OD1 no hydrogen 2.742 N/A ARG 128.A NH2 LEU 99.A O no hydrogen 3.279 N/A ARG 128.A NH2 GLU 126.A OE1 no hydrogen 3.512 N/A ARG 128.A NH2 GLU 126.A OE2 no hydrogen 2.987 N/A ARG 131.A N PHE 106.A O no hydrogen 3.112 N/A GLY 133.A N LYS 244.A O no hydrogen 2.719 N/A GLY 134.A N ARG 131.A O no hydrogen 2.744 N/A THR 135.A N ASP 107.A O no hydrogen 3.423 N/A VAL 136.A N ALA 242.A O no hydrogen 2.683 N/A ALA 137.A N VAL 109.A O no hydrogen 3.205 N/A ILE 138.A N ILE 240.A O no hydrogen 2.841 N/A ALA 139.A N ALA 111.A O no hydrogen 3.078 N/A ASP 140.A N VAL 238.A O no hydrogen 3.340 N/A PHE 141.A N ASP 140.A OD1 no hydrogen 2.919 N/A VAL 142.A N GLY 236.A O no hydrogen 2.749 N/A LEU 143.A N GLY 168.A O no hydrogen 3.194 N/A LEU 144.A N GLU 234.A O no hydrogen 3.099 N/A LYS 151.A NZ GLU 234.A OE1 no hydrogen 3.289 N/A LYS 151.A NZ GLU 234.A OE2 no hydrogen 3.191 N/A LYS 152.A N GLU 148.A O no hydrogen 3.028 N/A GLU 153.A N GLY 149.A O no hydrogen 3.098 N/A ALA 154.A N ALA 150.A O no hydrogen 3.058 N/A VAL 155.A N LYS 151.A O no hydrogen 3.220 N/A ASP 156.A N LYS 152.A O no hydrogen 2.999 N/A ALA 157.A N GLU 153.A O no hydrogen 3.356 N/A ARG 159.A N VAL 155.A O no hydrogen 3.216 N/A ARG 159.A NE VAL 164.A O no hydrogen 3.259 N/A ARG 159.A NH2 VAL 164.A O no hydrogen 3.342 N/A ALA 160.A N ASP 156.A O no hydrogen 3.021 N/A GLY 161.A N ALA 157.A O no hydrogen 3.327 N/A GLY 162.A N PHE 158.A O no hydrogen 3.059 N/A GLY 163.A N ALA 160.A O no hydrogen 3.387 N/A VAL 164.A N ARG 159.A O no hydrogen 3.029 N/A SER 166.A N HIS 116.A O no hydrogen 3.143 N/A GLY 169.A N GLU 172.A OE1 no hydrogen 3.092 N/A GLU 172.A N ASP 171.A OD1 no hydrogen 3.048 N/A TYR 173.A N GLY 169.A O no hydrogen 3.138 N/A TYR 173.A OH ASP 140.A OD2 no hydrogen 2.788 N/A GLU 174.A N ILE 170.A O no hydrogen 2.905 N/A SER 175.A N ASP 171.A O no hydrogen 3.233 N/A SER 175.A OG ASP 171.A O no hydrogen 3.377 N/A SER 175.A OG GLU 172.A O no hydrogen 3.327 N/A ASP 176.A N GLU 172.A O no hydrogen 3.063 N/A VAL 177.A N TYR 173.A O no hydrogen 3.016 N/A ARG 178.A N GLU 174.A O no hydrogen 2.820 N/A GLN 179.A N SER 175.A O no hydrogen 2.918 N/A ALA 180.A N VAL 177.A O no hydrogen 3.175 N/A GLU 181.A N ARG 178.A O no hydrogen 3.141 N/A LEU 182.A N VAL 177.A O no hydrogen 3.465 N/A VAL 183.A N ARG 243.A O no hydrogen 2.821 N/A THR 185.A N GLY 241.A O no hydrogen 2.952 N/A SER 186.A N GLY 241.A O no hydrogen 3.300 N/A VAL 188.A N LEU 239.A O no hydrogen 2.775 N/A ILE 190.A N TYR 237.A O no hydrogen 2.948 N/A SER 191.A N ASP 189.A OD2 no hydrogen 2.854 N/A SER 191.A OG ASP 189.A OD2 no hydrogen 2.713 N/A GLN 193.A N ILE 190.A O no hydrogen 3.134 N/A ALA 194.A N ILE 190.A O no hydrogen 2.852 N/A ALA 194.A N SER 191.A O no hydrogen 2.931 N/A ARG 195.A N SER 191.A O no hydrogen 2.884 N/A ARG 195.A NH2 ALA 235.A O no hydrogen 2.909 N/A SER 197.A N ALA 194.A O no hydrogen 3.197 N/A SER 197.A OG ALA 194.A O no hydrogen 2.674 N/A LEU 198.A N ARG 195.A O no hydrogen 2.974 N/A LYS 200.A N PRO 196.A O no hydrogen 3.085 N/A THR 201.A N SER 197.A O no hydrogen 3.008 N/A THR 201.A OG1 SER 197.A O no hydrogen 3.244 N/A THR 201.A OG1 LEU 198.A O no hydrogen 3.555 N/A ALA 202.A N LEU 198.A O no hydrogen 3.147 N/A GLU 203.A N VAL 199.A O no hydrogen 2.995 N/A ALA 204.A N LYS 200.A O no hydrogen 3.297 N/A PHE 205.A N THR 201.A O no hydrogen 3.223 N/A GLU 206.A N ALA 202.A O no hydrogen 3.281 N/A ASN 207.A N GLU 203.A O no hydrogen 3.084 N/A ALA 208.A N PHE 205.A O no hydrogen 2.900 N/A ARG 209.A N GLU 206.A O no hydrogen 2.983 N/A ARG 209.A NH1 GLU 206.A OE2 no hydrogen 2.611 N/A GLN 211.A N ALA 208.A O no hydrogen 2.855 N/A VAL 212.A N ALA 208.A O no hydrogen 2.921 N/A GLU 213.A N ARG 209.A O no hydrogen 2.938 N/A PHE 215.A N VAL 212.A O no hydrogen 2.758 N/A LEU 220.A N GLY 216.A O no hydrogen 3.261 N/A ASP 221.A N ALA 217.A O no hydrogen 2.988 N/A ARG 222.A N GLU 218.A O no hydrogen 2.980 N/A ARG 222.A NH2 GLU 218.A OE2 no hydrogen 2.321 N/A ALA 224.A N ASP 221.A O no hydrogen 3.008 N/A THR 225.A N ARG 222.A O no hydrogen 2.879 N/A ARG 227.A N ILE 223.A O no hydrogen 3.342 N/A ARG 227.A NH2 GLU 206.A OE1 no hydrogen 3.511 N/A GLY 228.A N ALA 224.A O no hydrogen 3.080 N/A LEU 229.A N THR 225.A O no hydrogen 3.117 N/A ALA 230.A N PHE 226.A O no hydrogen 2.931 N/A GLU 231.A N GLY 228.A O no hydrogen 3.181 N/A VAL 232.A N LEU 229.A O no hydrogen 2.852 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.803 N/A ALA 235.A N VAL 232.A O no hydrogen 2.997 N/A GLY 236.A N VAL 142.A O no hydrogen 2.812 N/A TYR 237.A N SER 191.A OG no hydrogen 3.192 N/A TYR 237.A OH GLU 113.A OE2 no hydrogen 3.119 N/A VAL 238.A N ASP 140.A O no hydrogen 3.053 N/A LEU 239.A N VAL 188.A O no hydrogen 2.874 N/A ILE 240.A N ILE 138.A O no hydrogen 2.992 N/A GLY 241.A N SER 186.A O no hydrogen 2.805 N/A ALA 242.A N VAL 136.A O no hydrogen 3.035 N/A ARG 243.A N VAL 183.A O no hydrogen 2.705 N/A LYS 244.A N GLY 134.A O no hydrogen 2.800 N/A LYS 244.A NZ ALA 127.A O no hydrogen 3.318 N/A LYS 244.A NZ LEU 130.A O no hydrogen 2.586 N/A