Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4twp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N ASP 1.A OD1 no hydrogen 2.868 N/A GLU 4.A N ASP 1.A O no hydrogen 3.155 N/A MET 5.A N VAL 67.A O no hydrogen 2.997 N/A ASP 9.A N GLU 6.A O no hydrogen 2.886 N/A ILE 10.A N ARG 7.A O no hydrogen 2.825 N/A THR 11.A N VAL 28.A O no hydrogen 2.907 N/A LYS 13.A N GLU 26.A O no hydrogen 2.911 N/A LYS 15.A NZ TYR 25.A OH no hydrogen 3.238 N/A LEU 16.A N VAL 24.A O no hydrogen 2.686 N/A GLY 19.A N LEU 16.A O no hydrogen 3.072 N/A GLN 20.A N GLY 17.A O no hydrogen 3.275 N/A GLN 20.A NE2 GLY 17.A O no hydrogen 3.219 N/A GLY 22.A N GLY 19.A O no hydrogen 3.201 N/A TYR 25.A N VAL 38.A O no hydrogen 2.758 N/A TYR 25.A OH GLU 23.A OE1 no hydrogen 2.955 N/A GLU 26.A N HIS 14.A O no hydrogen 2.978 N/A GLY 27.A N VAL 36.A O no hydrogen 2.860 N/A VAL 28.A N THR 11.A O no hydrogen 2.852 N/A TRP 29.A N LEU 34.A O no hydrogen 2.726 N/A LYS 30.A N ASP 9.A O no hydrogen 2.957 N/A LYS 30.A NZ THR 8.A O no hydrogen 2.982 N/A SER 33.A N LYS 30.A O no hydrogen 3.091 N/A LEU 34.A N TRP 29.A O no hydrogen 3.150 N/A VAL 36.A N GLY 27.A O no hydrogen 2.717 N/A ALA 37.A N ILE 78.A O no hydrogen 2.792 N/A VAL 38.A N TYR 25.A O no hydrogen 2.673 N/A LYS 39.A N ILE 76.A O no hydrogen 3.061 N/A LYS 39.A NZ GLU 49.A OE1 no hydrogen 3.180 N/A LYS 39.A NZ GLU 49.A OE2 no hydrogen 2.446 N/A THR 40.A N GLU 23.A O no hydrogen 3.376 N/A LEU 47.A N VAL 43.A O no hydrogen 3.025 N/A LYS 48.A N GLU 44.A O no hydrogen 3.464 N/A GLU 49.A N GLU 45.A O no hydrogen 3.000 N/A ALA 50.A N LEU 47.A O no hydrogen 3.154 N/A ALA 51.A N LEU 47.A O no hydrogen 3.145 N/A VAL 52.A N LYS 48.A O no hydrogen 2.833 N/A MET 53.A N GLU 49.A O no hydrogen 3.217 N/A LYS 54.A N ALA 50.A O no hydrogen 3.145 N/A LYS 54.A N ALA 51.A O no hydrogen 3.199 N/A LYS 54.A NZ ASP 1.A OD2 no hydrogen 2.598 N/A GLU 55.A N VAL 52.A O no hydrogen 2.867 N/A ILE 56.A N VAL 52.A O no hydrogen 3.305 N/A LYS 57.A N TYR 116.A OH no hydrogen 2.840 N/A ASN 60.A N HIS 58.A ND1 no hydrogen 2.912 N/A ASN 60.A ND2 VAL 140.A O no hydrogen 2.901 N/A LEU 61.A N HIS 58.A O no hydrogen 3.033 N/A VAL 62.A N VAL 142.A O no hydrogen 2.904 N/A GLN 63.A N GLU 79.A OE1 no hydrogen 2.939 N/A GLN 63.A NE2 LEU 64.A O no hydrogen 2.949 N/A LEU 65.A N ILE 77.A O no hydrogen 2.754 N/A GLY 66.A N ILE 77.A O no hydrogen 3.355 N/A VAL 67.A N TRP 3.A O no hydrogen 3.024 N/A CYS 68.A N TYR 75.A O no hydrogen 3.175 N/A CYS 68.A SG MET 5.A O no hydrogen 3.524 N/A THR 69.A N GLU 4.A OE2 no hydrogen 2.452 N/A THR 69.A OG1 GLU 4.A OE2 no hydrogen 2.128 N/A TYR 75.A N CYS 68.A O no hydrogen 3.113 N/A ILE 76.A N LYS 39.A O no hydrogen 2.817 N/A ILE 77.A N GLY 66.A O no hydrogen 2.761 N/A ILE 78.A N ALA 37.A O no hydrogen 2.765 N/A GLU 79.A N GLN 63.A O no hydrogen 3.047 N/A THR 82.A OG1 GLU 136.A OE1 no hydrogen 3.119 N/A TYR 83.A N VAL 134.A O no hydrogen 2.954 N/A GLY 84.A N MET 81.A O no hydrogen 3.179 N/A ASN 85.A ND2 TYR 21.A OH no hydrogen 3.313 N/A ASN 85.A ND2 ASP 88.A OD2 no hydrogen 2.969 N/A LEU 86.A N CYS 132.A O no hydrogen 2.899 N/A ASP 88.A N ASN 85.A OD1 no hydrogen 2.886 N/A TYR 89.A N ASN 85.A O no hydrogen 3.015 N/A TYR 89.A OH HIS 138.A ND1 no hydrogen 2.860 N/A LEU 90.A N LEU 86.A O no hydrogen 2.746 N/A ARG 91.A N LEU 87.A O no hydrogen 3.019 N/A ARG 91.A NE GLY 199.A O no hydrogen 2.797 N/A ARG 91.A NH2 GLY 199.A O no hydrogen 2.921 N/A GLU 92.A N ASP 88.A O no hydrogen 2.960 N/A CYS 93.A SG LEU 90.A O no hydrogen 3.407 N/A GLN 96.A N ASN 94.A OD1 no hydrogen 2.948 N/A GLU 97.A N ASN 94.A O no hydrogen 2.933 N/A VAL 98.A N ASN 94.A O no hydrogen 2.860 N/A VAL 102.A N ASN 99.A OD1 no hydrogen 3.371 N/A LEU 103.A N ASN 99.A O no hydrogen 2.943 N/A LEU 104.A N ALA 100.A O no hydrogen 3.042 N/A TYR 105.A N VAL 101.A O no hydrogen 2.931 N/A MET 106.A N VAL 102.A O no hydrogen 2.871 N/A ALA 107.A N LEU 103.A O no hydrogen 3.207 N/A THR 108.A N LEU 104.A O no hydrogen 2.997 N/A THR 108.A OG1 LEU 104.A O no hydrogen 2.878 N/A GLN 109.A N TYR 105.A O no hydrogen 3.126 N/A GLN 109.A NE2 TYR 105.A O no hydrogen 3.333 N/A GLN 109.A NE2 HIS 138.A O no hydrogen 2.981 N/A ILE 110.A N MET 106.A O no hydrogen 3.069 N/A SER 111.A N ALA 107.A O no hydrogen 2.856 N/A SER 111.A OG ALA 107.A O no hydrogen 2.890 N/A SER 111.A OG THR 108.A O no hydrogen 2.921 N/A SER 111.A OG HIS 253.A ND1 no hydrogen 2.983 N/A SER 112.A N THR 108.A O no hydrogen 2.833 N/A SER 112.A OG HIS 58.A NE2 no hydrogen 3.103 N/A ALA 113.A N GLN 109.A O no hydrogen 3.029 N/A MET 114.A N ILE 110.A O no hydrogen 2.928 N/A GLU 115.A N SER 111.A O no hydrogen 2.769 N/A TYR 116.A N SER 112.A O no hydrogen 3.105 N/A LEU 117.A N ALA 113.A O no hydrogen 2.989 N/A GLU 118.A N MET 114.A O no hydrogen 2.793 N/A LYS 119.A N GLU 115.A O no hydrogen 2.985 N/A LYS 120.A N TYR 116.A O no hydrogen 3.118 N/A LYS 120.A NZ GLU 55.A O no hydrogen 3.383 N/A ASN 121.A N GLU 118.A O no hydrogen 2.934 N/A PHE 122.A N LEU 117.A O no hydrogen 3.040 N/A ILE 123.A N ARG 149.A O no hydrogen 2.946 N/A HIS 124.A N ASP 184.A OD2 no hydrogen 2.743 N/A HIS 124.A NE2 ALA 143.A O no hydrogen 2.770 N/A ARG 125.A N ASP 184.A OD1 no hydrogen 3.015 N/A ARG 125.A NE LEU 147.A O no hydrogen 3.053 N/A ARG 125.A NH2 LEU 147.A O no hydrogen 3.150 N/A ASP 126.A N HIS 124.A ND1 no hydrogen 2.980 N/A ALA 129.A N GLU 194.A OE2 no hydrogen 2.820 N/A ASN 131.A N ALA 128.A O no hydrogen 2.948 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.746 N/A CYS 132.A N ALA 129.A O no hydrogen 3.124 N/A CYS 132.A SG ALA 128.A O no hydrogen 3.482 N/A LEU 133.A N LYS 141.A O no hydrogen 2.762 N/A VAL 134.A N GLY 84.A O no hydrogen 2.731 N/A GLY 135.A N LEU 139.A O no hydrogen 2.682 N/A HIS 138.A ND1 TYR 89.A OH no hydrogen 2.860 N/A LEU 139.A N GLU 136.A O no hydrogen 3.206 N/A VAL 140.A N GLN 109.A OE1 no hydrogen 2.881 N/A LYS 141.A N LEU 133.A O no hydrogen 2.875 N/A LYS 141.A NZ PRO 59.A O no hydrogen 3.229 N/A LYS 141.A NZ GLU 79.A OE1 no hydrogen 2.847 N/A LYS 141.A NZ GLU 79.A OE2 no hydrogen 3.409 N/A VAL 142.A N ASN 60.A O no hydrogen 2.769 N/A ALA 143.A N ASN 131.A O no hydrogen 2.888 N/A SER 148.A N PHE 145.A O no hydrogen 2.850 N/A ARG 149.A N ILE 123.A O no hydrogen 3.047 N/A ARG 149.A NE TYR 156.A OH no hydrogen 3.250 N/A ARG 149.A NH2 GLY 146.A O no hydrogen 3.142 N/A ARG 149.A NH2 SER 148.A O no hydrogen 2.921 N/A MET 151.A N ASN 121.A O no hydrogen 2.907 N/A THR 155.A OG1 ASP 154.A OD1 no hydrogen 3.400 N/A TYR 156.A N PHE 179.A O no hydrogen 2.691 N/A ALA 158.A N ASN 177.A O no hydrogen 2.968 N/A HIS 159.A ND1 ALA 160.A O no hydrogen 3.119 N/A ALA 162.A N HIS 159.A O no hydrogen 3.003 N/A LYS 167.A NZ PRO 202.A O no hydrogen 3.189 N/A LYS 167.A NZ TYR 203.A O no hydrogen 2.784 N/A LYS 167.A NZ ILE 206.A O no hydrogen 2.581 N/A TRP 168.A N PRO 165.A O no hydrogen 3.036 N/A TRP 168.A NE1 GLU 194.A OE2 no hydrogen 2.927 N/A THR 169.A N ILE 166.A O no hydrogen 3.235 N/A THR 169.A OG1 PRO 165.A O no hydrogen 2.695 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.601 N/A SER 173.A OG LYS 178.A O no hydrogen 2.530 N/A LEU 174.A N ALA 170.A O no hydrogen 2.900 N/A ALA 175.A N PRO 171.A O no hydrogen 2.867 N/A TYR 176.A N GLU 172.A O no hydrogen 2.867 N/A ASN 177.A N SER 173.A O no hydrogen 2.835 N/A ASN 177.A ND2 ALA 158.A O no hydrogen 3.532 N/A PHE 179.A N TYR 156.A O no hydrogen 2.649 N/A SER 180.A N SER 183.A OG no hydrogen 2.984 N/A LYS 182.A N SER 180.A OG no hydrogen 3.049 N/A LYS 182.A NZ ARG 246.A O no hydrogen 2.802 N/A LYS 182.A NZ PRO 247.A O no hydrogen 3.106 N/A SER 183.A N SER 180.A OG no hydrogen 3.411 N/A SER 183.A OG SER 180.A O no hydrogen 2.512 N/A ASP 184.A N SER 180.A O no hydrogen 3.381 N/A VAL 185.A N ILE 181.A O no hydrogen 2.993 N/A TRP 186.A N LYS 182.A O no hydrogen 3.019 N/A ALA 187.A N SER 183.A O no hydrogen 3.130 N/A PHE 188.A N ASP 184.A O no hydrogen 2.785 N/A GLY 189.A N VAL 185.A O no hydrogen 3.081 N/A VAL 190.A N TRP 186.A O no hydrogen 3.230 N/A LEU 191.A N ALA 187.A O no hydrogen 2.882 N/A LEU 192.A N PHE 188.A O no hydrogen 2.818 N/A TRP 193.A N GLY 189.A O no hydrogen 3.172 N/A GLU 194.A N VAL 190.A O no hydrogen 2.880 N/A ILE 195.A N LEU 191.A O no hydrogen 2.850 N/A ALA 196.A N LEU 192.A O no hydrogen 2.770 N/A THR 197.A N TRP 193.A O no hydrogen 3.037 N/A THR 197.A OG1 TRP 193.A O no hydrogen 2.970 N/A THR 197.A OG1 GLU 194.A O no hydrogen 3.339 N/A TYR 198.A N ILE 195.A O no hydrogen 2.976 N/A TYR 198.A OH VAL 98.A O no hydrogen 2.886 N/A GLY 199.A N GLU 194.A O no hydrogen 2.764 N/A MET 200.A N THR 197.A OG1 no hydrogen 3.067 N/A ILE 206.A N TYR 203.A O no hydrogen 2.891 N/A SER 209.A OG ASP 207.A OD2 no hydrogen 2.882 N/A GLN 210.A N ASP 207.A O no hydrogen 2.940 N/A GLN 210.A NE2 ASP 207.A OD2 no hydrogen 3.120 N/A VAL 211.A N LEU 208.A O no hydrogen 3.231 N/A LEU 214.A N GLN 210.A O no hydrogen 3.197 N/A LEU 215.A N VAL 211.A O no hydrogen 2.984 N/A GLU 216.A N TYR 212.A O no hydrogen 3.010 N/A LYS 217.A N GLU 213.A O no hydrogen 3.247 N/A LYS 217.A N LEU 214.A O no hydrogen 2.932 N/A ASP 218.A N LEU 215.A O no hydrogen 2.729 N/A TYR 219.A N LEU 214.A O no hydrogen 2.990 N/A ARG 220.A NE TRP 239.A O no hydrogen 2.934 N/A ARG 220.A NH1 LEU 215.A O no hydrogen 2.961 N/A ARG 220.A NH1 TYR 219.A O no hydrogen 2.946 N/A ARG 220.A NH2 TRP 239.A O no hydrogen 2.850 N/A ARG 223.A NH1 CYS 227.A O no hydrogen 3.047 N/A CYS 227.A N PRO 224.A O no hydrogen 3.081 N/A CYS 227.A SG PRO 228.A O no hydrogen 3.509 N/A TYR 232.A N PRO 228.A O no hydrogen 3.101 N/A TYR 232.A OH MET 221.A O no hydrogen 2.827 N/A GLU 233.A N GLU 229.A O no hydrogen 2.760 N/A LEU 234.A N LYS 230.A O no hydrogen 3.038 N/A MET 235.A N VAL 231.A O no hydrogen 2.976 N/A ARG 236.A N TYR 232.A O no hydrogen 2.899 N/A ARG 236.A NH1 TYR 232.A OH no hydrogen 3.196 N/A ALA 237.A N GLU 233.A O no hydrogen 2.985 N/A CYS 238.A N LEU 234.A O no hydrogen 2.862 N/A CYS 238.A SG LEU 234.A O no hydrogen 3.327 N/A TRP 239.A N MET 235.A O no hydrogen 2.993 N/A GLN 240.A N ALA 237.A O no hydrogen 3.231 N/A GLN 240.A NE2 ARG 236.A O no hydrogen 3.367 N/A ASP 245.A N ASN 242.A O no hydrogen 2.966 N/A ARG 246.A N PRO 243.A O no hydrogen 3.068 N/A ARG 246.A NE GLN 240.A O no hydrogen 2.801 N/A ARG 246.A NH1 GLU 172.A OE2 no hydrogen 2.844 N/A ARG 246.A NH1 LYS 182.A O no hydrogen 3.126 N/A ARG 246.A NH2 GLU 172.A OE1 no hydrogen 2.956 N/A ARG 246.A NH2 GLU 172.A OE2 no hydrogen 3.520 N/A ARG 246.A NH2 GLN 240.A O no hydrogen 3.230 N/A ARG 246.A NH2 TRP 241.A O no hydrogen 3.224 N/A SER 248.A N GLU 251.A OE2 no hydrogen 3.018 N/A PHE 249.A N GLU 118.A OE2 no hydrogen 2.810 N/A ALA 250.A N GLU 118.A OE1 no hydrogen 3.113 N/A GLU 251.A N SER 248.A OG no hydrogen 3.089 N/A ILE 252.A N SER 248.A O no hydrogen 2.938 N/A HIS 253.A N PHE 249.A O no hydrogen 2.794 N/A HIS 253.A ND1 SER 111.A OG no hydrogen 2.983 N/A HIS 253.A NE2 GLU 257.A OE1 no hydrogen 2.616 N/A GLN 254.A N ALA 250.A O no hydrogen 3.095 N/A GLN 254.A NE2 GLN 254.A O no hydrogen 3.320 N/A GLN 254.A NE2 THR 258.A OG1 no hydrogen 3.247 N/A ALA 255.A N GLU 251.A O no hydrogen 2.965 N/A PHE 256.A N ILE 252.A O no hydrogen 3.001 N/A GLU 257.A N HIS 253.A O no hydrogen 2.775 N/A THR 258.A N GLN 254.A O no hydrogen 2.973 N/A THR 258.A OG1 GLN 254.A O no hydrogen 2.940 N/A MET 259.A N ALA 255.A O no hydrogen 3.129 N/A PHE 260.A N PHE 256.A O no hydrogen 2.760 N/A GLN 261.A N GLU 257.A O no hydrogen 3.143 N/A GLU 262.A N THR 258.A O no hydrogen 3.014 N/A SER 263.A N MET 259.A O no hydrogen 2.980 N/A SER 264.A N PHE 260.A O no hydrogen 2.955 N/A SER 264.A OG PHE 260.A O no hydrogen 3.026 N/A ILE 265.A N GLN 261.A O no hydrogen 3.062 N/A SER 266.A OG GLU 262.A O no hydrogen 3.536 N/A