Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3csw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N PHE 102.A O no hydrogen 2.975 N/A ILE 4.A N ARG 11.A O no hydrogen 2.862 N/A TRP 5.A N PHE 100.A O no hydrogen 3.029 N/A TRP 6.A N LYS 9.A O no hydrogen 3.119 N/A TRP 6.A NE1 SER 17.A O no hydrogen 3.353 N/A LYS 9.A N TRP 6.A O no hydrogen 3.318 N/A ARG 11.A N ILE 4.A O no hydrogen 2.706 N/A ARG 11.A NE TRP 6.A O no hydrogen 2.831 N/A ARG 11.A NH2 TRP 6.A O no hydrogen 3.114 N/A ARG 11.A NH2 ARG 7.A O no hydrogen 3.449 N/A ALA 13.A N VAL 2.A O no hydrogen 3.224 N/A SER 21.A N ASP 19.A OD1 no hydrogen 3.236 N/A SER 21.A OG ASP 19.A OD1 no hydrogen 3.154 N/A PHE 23.A N ASP 19.A O no hydrogen 3.112 N/A GLU 24.A N PHE 20.A O no hydrogen 2.878 N/A LYS 25.A N SER 21.A O no hydrogen 3.086 N/A LYS 25.A NZ GLN 28.A OE1 no hydrogen 3.072 N/A SER 26.A N LEU 22.A O no hydrogen 2.871 N/A SER 26.A OG LEU 22.A O no hydrogen 3.402 N/A SER 26.A OG PHE 23.A O no hydrogen 2.708 N/A LEU 27.A N GLU 24.A O no hydrogen 3.293 N/A GLN 28.A N LYS 25.A O no hydrogen 3.122 N/A GLY 29.A N SER 26.A O no hydrogen 2.960 N/A ALA 30.A N THR 136.A OG1 no hydrogen 2.856 N/A VAL 31.A N LEU 91.A O no hydrogen 3.096 N/A TYR 32.A N LYS 134.A O no hydrogen 3.035 N/A GLU 33.A N VAL 89.A O no hydrogen 2.966 N/A LEU 35.A N ILE 87.A O no hydrogen 2.699 N/A ARG 36.A NE THR 37.A O no hydrogen 2.907 N/A ARG 36.A NH1 SER 229.A O no hydrogen 3.095 N/A ARG 36.A NH2 THR 37.A O no hydrogen 2.895 N/A THR 37.A N VAL 85.A O no hydrogen 3.228 N/A THR 37.A OG1 GLU 84.A OE1 no hydrogen 2.636 N/A TYR 38.A N ALA 41.A O no hydrogen 3.025 N/A SER 39.A N GLU 84.A OE2 no hydrogen 2.762 N/A ARG 40.A N GLU 84.A OE1 no hydrogen 2.936 N/A ARG 40.A NE PHE 81.A O no hydrogen 2.906 N/A ARG 40.A NH2 PHE 81.A O no hydrogen 3.299 N/A ALA 41.A N TYR 38.A O no hydrogen 2.910 N/A PHE 43.A N ARG 36.A O no hydrogen 2.974 N/A ALA 44.A N ASN 268.A O no hydrogen 2.893 N/A LYS 47.A NZ GLU 195.A OE2 no hydrogen 2.492 N/A LYS 47.A NZ GLU 267.A OE2 no hydrogen 2.553 N/A LYS 47.A NZ ASN 268.A OD1 no hydrogen 2.914 N/A HIS 48.A N ALA 44.A O no hydrogen 2.994 N/A HIS 48.A ND1 GLU 33.A OE1 no hydrogen 2.736 N/A TYR 49.A N ALA 45.A O no hydrogen 2.913 N/A TYR 49.A OH LEU 65.A O no hydrogen 2.549 N/A THR 50.A N TYR 46.A O no hydrogen 3.010 N/A THR 50.A OG1 LYS 47.A O no hydrogen 3.162 N/A ARG 51.A N LYS 47.A O no hydrogen 3.223 N/A ARG 51.A NE.A GLU 33.A OE1 no hydrogen 3.251 N/A ARG 51.A NE.A GLU 33.A OE2 no hydrogen 2.878 N/A ARG 51.A NE.B ASP 190.A O no hydrogen 3.072 N/A ARG 51.A NH1.B LYS 47.A O no hydrogen 3.525 N/A ARG 51.A NH2.A GLU 33.A OE1 no hydrogen 2.956 N/A ARG 51.A NH2.B ASP 190.A O no hydrogen 2.979 N/A ARG 51.A NH2.B GLU 195.A OE1 no hydrogen 2.968 N/A LEU 52.A N HIS 48.A O no hydrogen 2.966 N/A LYS 53.A N TYR 49.A O no hydrogen 2.984 N/A LYS 53.A NZ ASP 57.A OD1 no hydrogen 3.527 N/A LYS 53.A NZ ASP 57.A OD2 no hydrogen 3.367 N/A ARG 54.A N THR 50.A O no hydrogen 2.998 N/A ARG 54.A NH1 ASP 190.A OD1 no hydrogen 3.440 N/A ARG 54.A NH1 ASP 190.A OD2 no hydrogen 2.935 N/A ARG 54.A NH2 ASP 190.A OD1 no hydrogen 2.698 N/A ARG 54.A NH2 ASP 190.A OD2 no hydrogen 3.544 N/A SER 55.A N ARG 51.A O no hydrogen 2.902 N/A SER 55.A OG ARG 51.A O no hydrogen 3.554 N/A SER 55.A OG ALA 132.A O no hydrogen 3.464 N/A ALA 56.A N LEU 52.A O no hydrogen 2.867 N/A ASP 57.A N LYS 53.A O no hydrogen 2.834 N/A PHE 58.A N ARG 54.A O no hydrogen 3.436 N/A PHE 59.A N ALA 56.A O no hydrogen 3.042 N/A ASN 60.A N ASP 57.A O no hydrogen 3.045 N/A SER 64.A OG GLY 96.A O no hydrogen 2.723 N/A SER 66.A N GLU 69.A OE1 no hydrogen 3.117 N/A GLU 69.A N SER 66.A OG no hydrogen 2.998 N/A PHE 70.A N SER 66.A O no hydrogen 2.911 N/A THR 71.A N PHE 67.A O no hydrogen 2.853 N/A THR 71.A OG1 PHE 67.A O no hydrogen 3.501 N/A THR 71.A OG1 ASP 68.A O no hydrogen 2.807 N/A LYS 72.A N ASP 68.A O no hydrogen 3.115 N/A VAL 73.A N GLU 69.A O no hydrogen 2.976 N/A LEU 74.A N PHE 70.A O no hydrogen 2.984 N/A LYS 75.A N THR 71.A O no hydrogen 2.964 N/A LYS 75.A NZ ILE 272.A O no hydrogen 2.759 N/A ALA 76.A N LYS 72.A O no hydrogen 3.082 N/A GLY 77.A N VAL 73.A O no hydrogen 3.014 N/A ALA 78.A N LEU 74.A O no hydrogen 3.033 N/A ASP 79.A N LYS 75.A O no hydrogen 2.950 N/A GLU 80.A N GLY 77.A O no hydrogen 3.204 N/A PHE 81.A N ALA 78.A O no hydrogen 3.316 N/A VAL 85.A N THR 37.A OG1 no hydrogen 3.050 N/A ARG 86.A N SER 103.A O no hydrogen 2.852 N/A ILE 87.A N LEU 35.A O no hydrogen 2.797 N/A LYS 88.A N VAL 101.A O no hydrogen 3.017 N/A VAL 89.A N GLU 33.A O no hydrogen 2.814 N/A TYR 90.A N LEU 99.A O no hydrogen 2.852 N/A LEU 91.A N VAL 31.A O no hydrogen 2.739 N/A PHE 92.A N GLU 97.A O no hydrogen 2.947 N/A SER 95.A N PRO 93.A O no hydrogen 2.710 N/A GLY 96.A N PHE 92.A O no hydrogen 2.954 N/A LEU 99.A N TYR 90.A O no hydrogen 2.944 N/A PHE 100.A N TRP 5.A O no hydrogen 3.117 N/A VAL 101.A N LYS 88.A O no hydrogen 2.861 N/A PHE 102.A N LEU 3.A O no hydrogen 2.748 N/A SER 103.A N ARG 86.A O no hydrogen 3.111 N/A LEU 105.A N GLU 84.A O no hydrogen 2.778 N/A GLY 113.A N LEU 110.A O no hydrogen 3.140 N/A VAL 114.A N PRO 234.A O no hydrogen 2.874 N/A VAL 116.A N ARG 237.A O no hydrogen 3.019 N/A LYS 117.A N ASP 153.A O no hydrogen 3.456 N/A LYS 117.A NZ ASP 150.A OD1 no hydrogen 2.864 N/A ILE 118.A N ASN 239.A OD1 no hydrogen 2.861 N/A SER 119.A N ILE 155.A O no hydrogen 2.831 N/A SER 119.A OG VAL 121.A O no hydrogen 3.381 N/A SER 119.A OG GLU 147.A OE1 no hydrogen 2.736 N/A ASN 120.A N GLU 147.A OE1 no hydrogen 3.319 N/A ASN 120.A N GLU 147.A OE2 no hydrogen 3.303 N/A VAL 121.A N SER 119.A OG no hydrogen 3.017 N/A ARG 122.A NH1 GLY 158.A O no hydrogen 2.947 N/A ARG 123.A N LEU 157.A O no hydrogen 2.913 N/A ARG 123.A NE GLU 165.A OE2 no hydrogen 2.680 N/A ARG 123.A NH1 ASP 140.A OD2 no hydrogen 2.954 N/A ARG 123.A NH2 GLU 165.A OE2 no hydrogen 2.867 N/A ILE 124.A N ASP 140.A OD2 no hydrogen 2.970 N/A SER 128.A N PRO 125.A O no hydrogen 2.986 N/A THR 129.A N PRO 125.A O no hydrogen 3.140 N/A THR 129.A OG1 SER 128.A O no hydrogen 2.527 N/A LEU 133.A N PRO 130.A O no hydrogen 3.069 N/A LYS 134.A N SER 55.A OG no hydrogen 3.168 N/A THR 136.A N ALA 30.A O no hydrogen 2.944 N/A THR 136.A OG1 ALA 30.A O no hydrogen 3.446 N/A ARG 138.A N ILE 135.A O no hydrogen 3.490 N/A ARG 138.A NE ASP 140.A OD1 no hydrogen 2.859 N/A ARG 138.A NH1 PRO 130.A O no hydrogen 3.034 N/A ARG 138.A NH1 LEU 133.A O no hydrogen 2.909 N/A ARG 138.A NH2 ASP 140.A OD1 no hydrogen 3.560 N/A ARG 138.A NH2 ASP 140.A OD2 no hydrogen 3.238 N/A ILE 141.A N ASP 140.A OD1 no hydrogen 2.946 N/A VAL 142.A N ARG 138.A O no hydrogen 2.988 N/A LEU 143.A N THR 139.A O no hydrogen 2.906 N/A ALA 144.A N ASP 140.A O no hydrogen 2.940 N/A ARG 145.A N ILE 141.A O no hydrogen 3.007 N/A ARG 145.A NE SER 167.A O no hydrogen 3.101 N/A ARG 145.A NH2 SER 167.A O no hydrogen 2.902 N/A GLU 147.A N ALA 144.A O no hydrogen 2.989 N/A ILE 148.A N ARG 145.A O no hydrogen 3.229 N/A CYS 151.A SG ASP 153.A O no hydrogen 3.636 N/A TYR 152.A N GLU 115.A O no hydrogen 2.783 N/A TYR 152.A OH HIS 227.A NE2 no hydrogen 2.738 N/A VAL 154.A N ASP 153.A OD1 no hydrogen 2.831 N/A ILE 155.A N LYS 117.A O no hydrogen 2.791 N/A LEU 156.A N GLU 165.A O no hydrogen 2.800 N/A GLY 158.A N GLN 162.A O no hydrogen 2.824 N/A ASN 160.A N GLN 162.A OE1 no hydrogen 3.154 N/A GLY 161.A N GLY 158.A O no hydrogen 2.963 N/A GLN 162.A N GLN 162.A OE1 no hydrogen 2.822 N/A GLN 162.A NE2 SER 186.A O no hydrogen 3.221 N/A VAL 163.A N VAL 213.A O no hydrogen 2.722 N/A CYS 164.A N LEU 156.A O no hydrogen 3.062 N/A CYS 164.A SG SER 186.A O no hydrogen 3.699 N/A CYS 164.A SG GLY 187.A O no hydrogen 4.003 N/A GLU 165.A N LEU 156.A O no hydrogen 3.243 N/A GLY 166.A N SER 169.A O no hydrogen 2.908 N/A SER 167.A N ASP 153.A OD1 no hydrogen 3.108 N/A SER 167.A N VAL 154.A O no hydrogen 3.148 N/A SER 167.A OG ASP 153.A OD1 no hydrogen 2.567 N/A PHE 168.A N ASP 153.A OD2 no hydrogen 3.250 N/A SER 169.A OG ASP 153.A OD2 no hydrogen 2.714 N/A ASN 170.A N THR 226.A O no hydrogen 2.937 N/A ASN 170.A ND2 LEU 189.A O no hydrogen 3.150 N/A PHE 172.A N PHE 224.A O no hydrogen 2.930 N/A LEU 173.A N ILE 180.A O no hydrogen 2.850 N/A VAL 174.A N GLU 223.A O no hydrogen 2.843 N/A LYS 175.A N LYS 178.A O no hydrogen 3.040 N/A LYS 175.A NZ GLU 220.A O no hydrogen 2.778 N/A GLU 176.A N ASP 222.A OD2 no hydrogen 2.978 N/A LYS 178.A N LYS 175.A O no hydrogen 3.030 N/A LEU 179.A N PRO 207.A O no hydrogen 2.763 N/A ILE 180.A N LEU 173.A O no hydrogen 2.840 N/A THR 181.A N GLU 209.A O no hydrogen 2.958 N/A THR 181.A OG1 VAL 171.A O no hydrogen 2.651 N/A SER 183.A N ARG 211.A O no hydrogen 2.955 N/A SER 183.A OG SER 186.A OG no hydrogen 3.055 N/A SER 186.A N SER 183.A O no hydrogen 2.988 N/A SER 186.A OG SER 183.A O no hydrogen 3.217 N/A SER 186.A OG SER 183.A OG no hydrogen 3.055 N/A GLY 187.A N LEU 184.A O no hydrogen 3.148 N/A LEU 189.A N GLU 165.A OE1 no hydrogen 3.259 N/A LEU 189.A N GLU 165.A OE2 no hydrogen 3.157 N/A ASP 190.A N ASP 190.A OD1 no hydrogen 2.592 N/A GLY 191.A N LEU 189.A O no hydrogen 3.012 N/A ARG 194.A NH2 PRO 182.A O no hydrogen 2.944 N/A ARG 194.A NH2 GLU 210.A OE1 no hydrogen 2.991 N/A GLU 195.A N GLY 191.A O no hydrogen 3.099 N/A ASN 196.A N ILE 192.A O no hydrogen 3.237 N/A ASN 196.A ND2 ILE 192.A O no hydrogen 2.969 N/A ASN 196.A ND2 ASN 268.A OD1 no hydrogen 3.389 N/A VAL 197.A N THR 193.A O no hydrogen 2.913 N/A ILE 198.A N ARG 194.A O no hydrogen 3.016 N/A LYS 199.A N GLU 195.A O no hydrogen 3.167 N/A LYS 199.A NZ GLU 267.A OE1 no hydrogen 3.139 N/A LYS 199.A NZ GLU 267.A OE2 no hydrogen 2.838 N/A LEU 200.A N ASN 196.A O no hydrogen 2.844 N/A ALA 201.A N VAL 197.A O no hydrogen 2.785 N/A LYS 202.A N ILE 198.A O no hydrogen 3.071 N/A SER 203.A N LYS 199.A O no hydrogen 3.006 N/A SER 203.A OG LEU 200.A O no hydrogen 2.810 N/A LEU 204.A N LEU 200.A O no hydrogen 3.006 N/A GLU 205.A N LYS 202.A O no hydrogen 2.997 N/A ILE 206.A N ALA 201.A O no hydrogen 2.928 N/A GLU 209.A N LEU 179.A O no hydrogen 2.867 N/A ARG 211.A N THR 181.A O no hydrogen 3.104 N/A ARG 211.A NE GLU 209.A OE1 no hydrogen 2.969 N/A ARG 211.A NH1 VAL 212.A O no hydrogen 2.854 N/A ARG 211.A NH1 GLU 217.A OE1 no hydrogen 3.360 N/A ARG 211.A NH1 GLU 217.A OE2 no hydrogen 3.005 N/A ARG 211.A NH2 GLU 217.A OE1 no hydrogen 2.830 N/A TRP 214.A N GLU 217.A OE2 no hydrogen 3.126 N/A VAL 215.A N GLY 161.A O no hydrogen 2.996 N/A GLU 217.A N TRP 214.A O no hydrogen 3.020 N/A LEU 218.A N VAL 215.A O no hydrogen 3.071 N/A PHE 219.A N TRP 216.A O no hydrogen 3.111 N/A GLU 220.A N GLU 217.A O no hydrogen 3.227 N/A ALA 221.A N LEU 218.A O no hydrogen 3.402 N/A ASP 222.A N VAL 174.A O no hydrogen 2.918 N/A GLU 223.A N VAL 174.A O no hydrogen 3.176 N/A PHE 224.A N PHE 172.A O no hydrogen 3.022 N/A LEU 225.A N VAL 233.A O no hydrogen 2.759 N/A THR 226.A N ASN 170.A O no hydrogen 2.929 N/A HIS 227.A N GLY 231.A O no hydrogen 3.254 N/A HIS 227.A NE2 TYR 152.A OH no hydrogen 2.738 N/A GLY 231.A N HIS 227.A O no hydrogen 2.907 N/A VAL 233.A N LEU 225.A O no hydrogen 2.783 N/A ARG 236.A N VAL 114.A O no hydrogen 2.856 N/A ARG 236.A NH1 GLU 115.A OE2.B no hydrogen 3.153 N/A ARG 237.A N VAL 114.A O no hydrogen 3.468 N/A ARG 237.A NH1 GLU 115.A OE1.A no hydrogen 3.389 N/A LEU 238.A N HIS 241.A O no hydrogen 2.833 N/A ASN 239.A N VAL 116.A O no hydrogen 2.906 N/A HIS 241.A N LEU 238.A O no hydrogen 2.743 N/A PHE 243.A N ARG 236.A O no hydrogen 2.698 N/A PHE 244.A N ARG 236.A O no hydrogen 3.488 N/A VAL 251.A N GLU 223.A OE2 no hydrogen 3.049 N/A THR 252.A N GLU 223.A OE1 no hydrogen 2.840 N/A THR 252.A OG1 GLU 223.A OE1 no hydrogen 2.598 N/A ALA 253.A N GLY 249.A O no hydrogen 2.965 N/A THR 254.A N PRO 250.A O no hydrogen 3.121 N/A THR 254.A OG1 PRO 250.A O no hydrogen 2.743 N/A LEU 255.A N VAL 251.A O no hydrogen 3.085 N/A ASN 257.A N THR 254.A O no hydrogen 3.036 N/A ASN 257.A ND2 THR 254.A O no hydrogen 2.760 N/A PHE 261.A N ASN 257.A O no hydrogen 3.071 N/A VAL 262.A N PHE 258.A O no hydrogen 2.901 N/A LEU 263.A N GLU 259.A O no hydrogen 2.941 N/A ASN 264.A N PHE 261.A O no hydrogen 3.256 N/A LEU 265.A N VAL 262.A O no hydrogen 3.394 N/A ASN 268.A N LEU 265.A O no hydrogen 3.146 N/A ASN 268.A ND2 ASN 196.A OD1 no hydrogen 2.983 N/A ASN 268.A ND2 VAL 262.A O no hydrogen 3.422 N/A TRP 269.A N GLU 266.A O no hydrogen 2.855 N/A TRP 269.A NE1 VAL 262.A O no hydrogen 3.135 N/A ILE 272.A N TRP 269.A O no hydrogen 3.229 N/A