Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mss_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 8.A N ASP 6.A OD1 no hydrogen 2.971 N/A GLU 9.A N ASP 6.A O no hydrogen 3.144 N/A MET 10.A N VAL 71.A O no hydrogen 2.872 N/A ARG 12.A NH1 PRO 77.A O no hydrogen 2.132 N/A ARG 12.A NH2 GLU 75.A O no hydrogen 2.674 N/A ARG 12.A NH2 GLU 75.A OE1 no hydrogen 3.035 N/A THR 13.A N GLU 11.A OE2 no hydrogen 3.156 N/A THR 13.A OG1 GLU 11.A OE2 no hydrogen 2.689 N/A ASP 14.A N GLU 11.A O no hydrogen 2.894 N/A ILE 15.A N ARG 12.A O no hydrogen 3.207 N/A THR 16.A N VAL 33.A O no hydrogen 2.962 N/A LYS 18.A N GLU 31.A O no hydrogen 2.777 N/A LYS 20.A NZ GLU 28.A OE2 no hydrogen 2.651 N/A LEU 21.A N VAL 29.A O no hydrogen 2.704 N/A GLY 24.A N LEU 21.A O no hydrogen 3.037 N/A GLN 25.A N GLY 22.A O no hydrogen 3.090 N/A GLY 27.A N GLY 24.A O no hydrogen 3.318 N/A VAL 29.A N GLY 27.A O no hydrogen 2.731 N/A TYR 30.A N VAL 43.A O no hydrogen 2.819 N/A TYR 30.A OH GLU 28.A OE1 no hydrogen 3.145 N/A GLU 31.A N HIS 19.A O no hydrogen 2.916 N/A GLY 32.A N VAL 41.A O no hydrogen 2.880 N/A VAL 33.A N THR 16.A O no hydrogen 2.892 N/A TRP 34.A N LEU 39.A O no hydrogen 2.744 N/A LYS 35.A N ASP 14.A O no hydrogen 3.019 N/A LYS 35.A NZ THR 13.A O no hydrogen 3.198 N/A LYS 36.A NZ ASP 14.A OD2 no hydrogen 3.064 N/A TYR 37.A N TRP 34.A O no hydrogen 3.071 N/A SER 38.A N LYS 35.A O no hydrogen 3.100 N/A LEU 39.A N TRP 34.A O no hydrogen 3.243 N/A VAL 41.A N GLY 32.A O no hydrogen 2.736 N/A ALA 42.A N THR 82.A O no hydrogen 2.939 N/A VAL 43.A N TYR 30.A O no hydrogen 2.842 N/A LYS 44.A N ILE 80.A O no hydrogen 2.797 N/A LYS 44.A NZ GLU 53.A OE1 no hydrogen 3.095 N/A THR 45.A N GLU 28.A O no hydrogen 2.961 N/A THR 45.A OG1 PHE 78.A O no hydrogen 3.207 N/A LEU 46.A N PHE 78.A O no hydrogen 3.323 N/A LEU 51.A N VAL 47.A O no hydrogen 2.650 N/A LYS 52.A N GLU 48.A O no hydrogen 2.737 N/A GLU 53.A N GLU 49.A O no hydrogen 2.959 N/A ALA 54.A N PHE 50.A O no hydrogen 3.179 N/A ALA 55.A N LEU 51.A O no hydrogen 3.072 N/A VAL 56.A N LYS 52.A O no hydrogen 3.009 N/A MET 57.A N GLU 53.A O no hydrogen 2.977 N/A LYS 58.A N ALA 54.A O no hydrogen 3.154 N/A LYS 58.A N ALA 55.A O no hydrogen 3.282 N/A LYS 58.A NZ ASP 6.A OD2 no hydrogen 2.742 N/A GLU 59.A N VAL 56.A O no hydrogen 2.959 N/A ILE 60.A N MET 57.A O no hydrogen 3.290 N/A LYS 61.A N TYR 120.A OH no hydrogen 2.806 N/A ASN 64.A N HIS 62.A ND1 no hydrogen 2.928 N/A ASN 64.A ND2 VAL 144.A O no hydrogen 2.874 N/A LEU 65.A N HIS 62.A O no hydrogen 3.083 N/A VAL 66.A N VAL 146.A O no hydrogen 3.052 N/A GLN 67.A N GLU 83.A OE1 no hydrogen 2.795 N/A GLN 67.A NE2 LEU 68.A O no hydrogen 2.757 N/A LEU 69.A N ILE 81.A O no hydrogen 2.692 N/A GLY 70.A N ILE 81.A O no hydrogen 3.363 N/A VAL 71.A N TRP 8.A O no hydrogen 2.978 N/A CYS 72.A N TYR 79.A O no hydrogen 2.901 N/A CYS 72.A SG MET 10.A O no hydrogen 3.533 N/A THR 73.A N GLU 9.A OE1 no hydrogen 3.024 N/A THR 73.A OG1 GLU 9.A OE2 no hydrogen 2.624 N/A TYR 79.A N CYS 72.A O no hydrogen 2.940 N/A ILE 80.A N LYS 44.A O no hydrogen 2.829 N/A ILE 81.A N GLY 70.A O no hydrogen 2.838 N/A THR 82.A N ALA 42.A O no hydrogen 2.851 N/A THR 82.A OG1 GLU 83.A O no hydrogen 2.936 N/A GLU 83.A N GLN 67.A O no hydrogen 3.228 N/A THR 86.A OG1 GLU 140.A OE1 no hydrogen 3.341 N/A TYR 87.A N VAL 138.A O no hydrogen 2.869 N/A TYR 87.A OH GLU 140.A OE2 no hydrogen 3.390 N/A GLY 88.A N MET 85.A O no hydrogen 3.165 N/A ASN 89.A ND2 TYR 26.A OH no hydrogen 3.436 N/A ASN 89.A ND2 ASP 92.A OD2 no hydrogen 2.934 N/A LEU 90.A N CYS 136.A O no hydrogen 2.894 N/A ASP 92.A N ASN 89.A OD1 no hydrogen 3.001 N/A TYR 93.A N ASN 89.A O no hydrogen 2.988 N/A LEU 94.A N LEU 90.A O no hydrogen 2.891 N/A ARG 95.A N LEU 91.A O no hydrogen 3.110 N/A ARG 95.A NE GLY 202.A O no hydrogen 2.701 N/A ARG 95.A NH2 GLY 202.A O no hydrogen 3.008 N/A GLU 96.A N ASP 92.A O no hydrogen 2.968 N/A GLU 96.A N TYR 93.A O no hydrogen 3.202 N/A CYS 97.A SG LEU 94.A O no hydrogen 3.406 N/A GLN 100.A N ASN 98.A OD1 no hydrogen 2.904 N/A GLU 101.A N ASN 98.A OD1 no hydrogen 3.190 N/A VAL 102.A N ASN 98.A O no hydrogen 2.870 N/A LEU 107.A N SER 103.A O no hydrogen 2.966 N/A LEU 108.A N ALA 104.A O no hydrogen 2.843 N/A TYR 109.A N VAL 105.A O no hydrogen 2.851 N/A MET 110.A N VAL 106.A O no hydrogen 2.872 N/A ALA 111.A N LEU 107.A O no hydrogen 3.042 N/A THR 112.A N LEU 108.A O no hydrogen 2.903 N/A THR 112.A OG1 LEU 108.A O no hydrogen 2.793 N/A GLN 113.A N TYR 109.A O no hydrogen 2.994 N/A GLN 113.A NE2 TYR 109.A O no hydrogen 3.155 N/A GLN 113.A NE2 HIS 142.A O no hydrogen 3.008 N/A ILE 114.A N MET 110.A O no hydrogen 3.070 N/A SER 115.A N ALA 111.A O no hydrogen 2.985 N/A SER 115.A OG ALA 111.A O no hydrogen 3.455 N/A SER 115.A OG THR 112.A O no hydrogen 2.927 N/A SER 115.A OG HIS 256.A ND1 no hydrogen 3.210 N/A SER 116.A N THR 112.A O no hydrogen 2.944 N/A SER 116.A OG HIS 62.A NE2 no hydrogen 3.214 N/A ALA 117.A N GLN 113.A O no hydrogen 3.154 N/A MET 118.A N ILE 114.A O no hydrogen 2.972 N/A GLU 119.A N SER 115.A O no hydrogen 2.790 N/A TYR 120.A N SER 116.A O no hydrogen 3.027 N/A LEU 121.A N ALA 117.A O no hydrogen 2.932 N/A GLU 122.A N MET 118.A O no hydrogen 2.856 N/A LYS 123.A N GLU 119.A O no hydrogen 2.968 N/A LYS 124.A N TYR 120.A O no hydrogen 2.946 N/A ASN 125.A N GLU 122.A O no hydrogen 3.013 N/A PHE 126.A N LEU 121.A O no hydrogen 2.957 N/A HIS 128.A N ASP 187.A OD2 no hydrogen 2.564 N/A HIS 128.A NE2 ALA 147.A O no hydrogen 2.672 N/A ARG 129.A N ASP 187.A OD1 no hydrogen 2.861 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 2.935 N/A ALA 133.A N GLU 197.A OE2 no hydrogen 2.976 N/A ARG 134.A NE TYR 159.A OH no hydrogen 2.804 N/A ARG 134.A NH2 ASP 130.A OD1 no hydrogen 2.959 N/A ASN 135.A N ALA 132.A O no hydrogen 2.922 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.902 N/A CYS 136.A N ALA 133.A O no hydrogen 3.061 N/A CYS 136.A SG ALA 132.A O no hydrogen 3.682 N/A LEU 137.A N LYS 145.A O no hydrogen 2.766 N/A VAL 138.A N GLY 88.A O no hydrogen 2.875 N/A GLY 139.A N LEU 143.A O no hydrogen 2.721 N/A HIS 142.A NE2 GLU 101.A OE2 no hydrogen 2.836 N/A LEU 143.A N GLU 140.A O no hydrogen 2.977 N/A VAL 144.A N GLN 113.A OE1 no hydrogen 2.893 N/A LYS 145.A N LEU 137.A O no hydrogen 2.950 N/A LYS 145.A NZ GLU 83.A OE1 no hydrogen 2.871 N/A LYS 145.A NZ GLU 83.A OE2 no hydrogen 3.070 N/A VAL 146.A N ASN 64.A O no hydrogen 2.737 N/A ALA 147.A N ASN 135.A O no hydrogen 2.859 N/A PHE 149.A N ASN 135.A OD1 no hydrogen 2.905 N/A GLY 150.A N ASP 148.A OD1 no hydrogen 3.114 N/A LEU 154.A N LEU 151.A O no hydrogen 3.081 N/A MET 155.A N LEU 151.A O no hydrogen 3.089 N/A TYR 159.A OH ASP 130.A OD1 no hydrogen 3.410 N/A TYR 159.A OH ASP 130.A OD2 no hydrogen 2.484 N/A THR 160.A N PHE 167.A O no hydrogen 2.775 N/A HIS 162.A N ALA 165.A O no hydrogen 2.334 N/A PHE 167.A N THR 160.A O no hydrogen 2.930 N/A LYS 170.A NZ PRO 205.A O no hydrogen 3.570 N/A LYS 170.A NZ TYR 206.A O no hydrogen 2.740 N/A LYS 170.A NZ ILE 209.A O no hydrogen 3.109 N/A TRP 171.A N PRO 168.A O no hydrogen 2.912 N/A TRP 171.A NE1 GLU 197.A OE2 no hydrogen 2.930 N/A THR 172.A N ILE 169.A O no hydrogen 3.106 N/A THR 172.A OG1 PRO 168.A O no hydrogen 2.593 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.717 N/A SER 176.A N ALA 173.A O no hydrogen 3.001 N/A SER 176.A OG LYS 181.A O no hydrogen 2.761 N/A LEU 177.A N ALA 173.A O no hydrogen 3.083 N/A ALA 178.A N PRO 174.A O no hydrogen 2.858 N/A TYR 179.A N GLU 175.A O no hydrogen 2.985 N/A ASN 180.A N SER 176.A O no hydrogen 2.957 N/A LYS 181.A N GLU 175.A O no hydrogen 3.315 N/A SER 183.A N SER 186.A OG no hydrogen 2.836 N/A LYS 185.A NZ ARG 249.A O no hydrogen 2.970 N/A SER 186.A N SER 183.A O no hydrogen 2.997 N/A SER 186.A OG SER 183.A O no hydrogen 2.909 N/A ASP 187.A N SER 183.A O no hydrogen 3.165 N/A VAL 188.A N ILE 184.A O no hydrogen 2.981 N/A TRP 189.A N LYS 185.A O no hydrogen 3.192 N/A ALA 190.A N SER 186.A O no hydrogen 3.121 N/A PHE 191.A N ASP 187.A O no hydrogen 2.782 N/A GLY 192.A N VAL 188.A O no hydrogen 3.060 N/A VAL 193.A N TRP 189.A O no hydrogen 3.227 N/A LEU 194.A N ALA 190.A O no hydrogen 2.852 N/A LEU 195.A N PHE 191.A O no hydrogen 2.792 N/A TRP 196.A N GLY 192.A O no hydrogen 3.082 N/A TRP 196.A NE1 GLU 225.A O no hydrogen 3.166 N/A GLU 197.A N VAL 193.A O no hydrogen 2.922 N/A ILE 198.A N LEU 194.A O no hydrogen 2.934 N/A ALA 199.A N LEU 195.A O no hydrogen 2.930 N/A THR 200.A N TRP 196.A O no hydrogen 3.053 N/A THR 200.A OG1 TRP 196.A O no hydrogen 3.001 N/A THR 200.A OG1 GLU 197.A O no hydrogen 3.157 N/A TYR 201.A N ILE 198.A O no hydrogen 3.063 N/A TYR 201.A OH VAL 102.A O no hydrogen 2.653 N/A GLY 202.A N GLU 197.A O no hydrogen 2.713 N/A MET 203.A N THR 200.A OG1 no hydrogen 3.008 N/A ILE 209.A N TYR 206.A O no hydrogen 3.041 N/A GLN 213.A N ASP 210.A O no hydrogen 2.963 N/A GLN 213.A NE2 ASP 210.A OD2 no hydrogen 3.485 N/A VAL 214.A N LEU 211.A O no hydrogen 3.373 N/A LEU 217.A N GLN 213.A O no hydrogen 2.979 N/A LEU 218.A N VAL 214.A O no hydrogen 2.944 N/A GLU 219.A N TYR 215.A O no hydrogen 2.804 N/A LYS 220.A N GLU 216.A O no hydrogen 3.050 N/A ASP 221.A N LEU 218.A O no hydrogen 2.879 N/A TYR 222.A N LEU 217.A O no hydrogen 2.904 N/A ARG 223.A NE TRP 242.A O no hydrogen 2.814 N/A ARG 223.A NH1 LEU 218.A O no hydrogen 2.895 N/A ARG 223.A NH1 TYR 222.A O no hydrogen 2.946 N/A ARG 223.A NH2 TRP 242.A O no hydrogen 2.876 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.579 N/A ARG 226.A NH1 CYS 230.A O no hydrogen 2.758 N/A CYS 230.A N PRO 227.A O no hydrogen 3.002 N/A CYS 230.A SG PRO 231.A O no hydrogen 3.603 N/A TYR 235.A N PRO 231.A O no hydrogen 2.985 N/A TYR 235.A OH MET 224.A O no hydrogen 2.518 N/A GLU 236.A N GLU 232.A O no hydrogen 2.917 N/A LEU 237.A N LYS 233.A O no hydrogen 3.100 N/A MET 238.A N VAL 234.A O no hydrogen 2.953 N/A ARG 239.A N TYR 235.A O no hydrogen 2.902 N/A ARG 239.A NE TYR 235.A OH no hydrogen 3.109 N/A ARG 239.A NH2 TYR 235.A OH no hydrogen 3.193 N/A ALA 240.A N GLU 236.A O no hydrogen 3.057 N/A CYS 241.A N LEU 237.A O no hydrogen 3.075 N/A CYS 241.A SG LEU 237.A O no hydrogen 3.378 N/A TRP 242.A N MET 238.A O no hydrogen 3.093 N/A GLN 243.A N ALA 240.A O no hydrogen 3.310 N/A SER 247.A N ASN 245.A OD1 no hydrogen 3.165 N/A SER 247.A OG ASN 245.A OD1 no hydrogen 2.744 N/A ASP 248.A N ASN 245.A O no hydrogen 2.995 N/A ARG 249.A N PRO 246.A O no hydrogen 3.214 N/A ARG 249.A NE GLN 243.A O no hydrogen 2.782 N/A ARG 249.A NH1 GLU 175.A OE2 no hydrogen 2.800 N/A ARG 249.A NH1 LYS 185.A O no hydrogen 2.773 N/A ARG 249.A NH2 GLU 175.A OE1 no hydrogen 2.871 N/A ARG 249.A NH2 GLN 243.A O no hydrogen 3.083 N/A ARG 249.A NH2 TRP 244.A O no hydrogen 3.153 N/A SER 251.A N GLU 254.A OE2 no hydrogen 3.129 N/A PHE 252.A N GLU 122.A OE2 no hydrogen 2.770 N/A ALA 253.A N GLU 122.A OE1 no hydrogen 3.056 N/A GLU 254.A N SER 251.A OG no hydrogen 2.997 N/A ILE 255.A N SER 251.A O no hydrogen 2.941 N/A HIS 256.A N PHE 252.A O no hydrogen 2.752 N/A HIS 256.A ND1 SER 115.A OG no hydrogen 3.210 N/A GLN 257.A N ALA 253.A O no hydrogen 2.963 N/A ALA 258.A N GLU 254.A O no hydrogen 2.892 N/A PHE 259.A N ILE 255.A O no hydrogen 2.949 N/A GLU 260.A N HIS 256.A O no hydrogen 2.546 N/A THR 261.A N GLN 257.A O no hydrogen 2.924 N/A THR 261.A OG1 GLN 257.A O no hydrogen 3.063 N/A MET 262.A N ALA 258.A O no hydrogen 3.108 N/A PHE 263.A N PHE 259.A O no hydrogen 2.678 N/A GLN 264.A N GLU 260.A O no hydrogen 2.837 N/A GLN 264.A N THR 261.A O no hydrogen 3.229 N/A