Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rok_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A N SER 127.A OG no hydrogen 2.978 N/A SER 6.A N ASP 134.A OD2 no hydrogen 2.875 N/A THR 10.A N ASN 124.A O no hydrogen 2.915 N/A THR 10.A OG1 CYS 115.A O no hydrogen 3.402 N/A THR 10.A OG1 ASN 124.A O no hydrogen 2.713 N/A THR 11.A N THR 113.A O no hydrogen 2.954 N/A THR 11.A OG1 THR 113.A O no hydrogen 3.387 N/A THR 17.A N ARG 13.A O no hydrogen 2.916 N/A THR 17.A OG1 ARG 13.A O no hydrogen 3.088 N/A VAL 18.A N PHE 14.A O no hydrogen 2.938 N/A LEU 19.A N PRO 15.A O no hydrogen 3.157 N/A ALA 20.A N GLU 16.A O no hydrogen 2.891 N/A ARG 21.A N THR 17.A O no hydrogen 2.859 N/A ARG 21.A NH1 TYR 107.A O no hydrogen 3.180 N/A ARG 21.A NH1 LEU 108.A O no hydrogen 2.983 N/A ARG 21.A NH1 ASP 110.A O no hydrogen 2.835 N/A ARG 21.A NH2 ASP 110.A O no hydrogen 3.346 N/A CYS 22.A N VAL 18.A O no hydrogen 2.967 N/A VAL 23.A N LEU 19.A O no hydrogen 2.927 N/A LYS 24.A N ALA 20.A O no hydrogen 3.039 N/A TYR 25.A N ARG 21.A O no hydrogen 2.910 N/A TYR 25.A OH ASP 102.A O no hydrogen 2.575 N/A THR 26.A N CYS 22.A O no hydrogen 2.955 N/A THR 26.A OG1 CYS 22.A O no hydrogen 2.872 N/A THR 26.A OG1 VAL 23.A O no hydrogen 3.167 N/A GLU 27.A N VAL 23.A O no hydrogen 2.963 N/A ILE 28.A N LYS 24.A O no hydrogen 3.094 N/A HIS 29.A N TYR 25.A O no hydrogen 2.955 N/A HIS 29.A ND1 TYR 25.A O no hydrogen 3.208 N/A GLU 31.A N GLU 31.A OE1 no hydrogen 2.836 N/A MET 32.A N HIS 29.A O no hydrogen 3.009 N/A ARG 33.A N PRO 30.A O no hydrogen 3.316 N/A ARG 33.A NE PRO 30.A O no hydrogen 2.894 N/A VAL 35.A N MET 32.A O no hydrogen 3.285 N/A CYS 37.A SG THR 26.A OG1 no hydrogen 3.697 N/A GLN 38.A NE2 ASP 42.A OD1 no hydrogen 3.128 N/A SER 39.A N ASP 36.A OD2 no hydrogen 3.250 N/A VAL 40.A N ASP 36.A O no hydrogen 3.037 N/A TRP 41.A N CYS 37.A O no hydrogen 2.963 N/A ASP 42.A N GLN 38.A O no hydrogen 2.901 N/A ALA 43.A N SER 39.A O no hydrogen 2.931 N/A PHE 44.A N VAL 40.A O no hydrogen 2.798 N/A LYS 45.A N TRP 41.A O no hydrogen 2.822 N/A GLY 46.A N ASP 42.A O no hydrogen 2.914 N/A ALA 47.A N PHE 44.A O no hydrogen 3.094 N/A PHE 48.A N LYS 45.A O no hydrogen 3.021 N/A ILE 49.A N LYS 45.A O no hydrogen 2.921 N/A LYS 51.A N PHE 48.A O no hydrogen 3.404 N/A LYS 51.A NZ ASP 60.A OD1 no hydrogen 3.489 N/A CYS 54.A N HIS 52.A ND1 no hydrogen 3.070 N/A ASP 55.A N HIS 52.A O no hydrogen 2.956 N/A ILE 56.A N ASN 137.A O no hydrogen 3.012 N/A THR 57.A N ASP 60.A OD2 no hydrogen 2.824 N/A GLU 59.A N GLU 59.A OE1 no hydrogen 2.719 N/A ASP 60.A N THR 57.A O no hydrogen 3.038 N/A ASP 60.A N THR 57.A OG1 no hydrogen 3.254 N/A TYR 61.A N GLU 58.A O no hydrogen 3.047 N/A TYR 61.A OH PRO 139.A O no hydrogen 2.689 N/A GLN 62.A N GLU 59.A O no hydrogen 2.988 N/A MET 65.A N TYR 61.A O no hydrogen 2.949 N/A LYS 66.A N GLN 62.A O no hydrogen 2.975 N/A LEU 67.A N PRO 63.A O no hydrogen 3.149 N/A GLY 68.A N LEU 64.A O no hydrogen 2.870 N/A THR 69.A N LYS 66.A O no hydrogen 3.408 N/A THR 69.A OG1 MET 65.A O no hydrogen 3.180 N/A THR 69.A OG1 LYS 66.A O no hydrogen 2.735 N/A GLN 70.A NE2 TYR 25.A OH no hydrogen 2.857 N/A GLN 70.A NE2 GLU 31.A OE2 no hydrogen 3.554 N/A LYS 76.A N PRO 73.A O no hydrogen 3.102 N/A LYS 76.A NZ ASP 96.A OD1 no hydrogen 3.289 N/A LEU 78.A N PHE 98.A O no hydrogen 2.871 N/A LEU 79.A N HIS 160.A O no hydrogen 2.779 N/A TRP 80.A NE1 GLU 101.A OE1 no hydrogen 3.023 N/A SER 81.A N MET 162.A O no hydrogen 3.002 N/A SER 81.A OG SER 175.A OG no hydrogen 3.386 N/A LYS 84.A NZ ASP 110.A OD1 no hydrogen 3.383 N/A LYS 84.A NZ ASP 111.A OD1 no hydrogen 3.187 N/A LYS 84.A NZ ASP 111.A OD2 no hydrogen 3.332 N/A ALA 87.A N ILE 83.A O no hydrogen 3.409 N/A HIS 88.A N LYS 84.A O no hydrogen 2.932 N/A HIS 88.A NE2 GLU 101.A OE1 no hydrogen 2.701 N/A GLN 89.A N ASP 85.A O no hydrogen 2.788 N/A PHE 90.A N LEU 86.A O no hydrogen 2.876 N/A THR 91.A N ALA 87.A O no hydrogen 3.116 N/A THR 91.A OG1 ALA 87.A O no hydrogen 3.457 N/A THR 91.A OG1 HIS 88.A O no hydrogen 3.380 N/A THR 91.A OG1 ASP 102.A OD1 no hydrogen 2.945 N/A GLN 92.A N HIS 88.A O no hydrogen 2.849 N/A VAL 93.A N PHE 90.A O no hydrogen 3.180 N/A GLN 94.A N PHE 90.A O no hydrogen 2.609 N/A GLN 94.A NE2 ASP 96.A OD2 no hydrogen 2.513 N/A ARG 95.A NE GLN 92.A O no hydrogen 3.055 N/A MET 97.A N GLN 94.A O no hydrogen 3.112 N/A PHE 98.A N LYS 76.A O no hydrogen 2.916 N/A THR 99.A N ASP 102.A OD1 no hydrogen 2.926 N/A THR 99.A OG1 GLU 101.A OE1 no hydrogen 3.242 N/A THR 99.A OG1 ASP 102.A OD1 no hydrogen 3.055 N/A ASP 102.A N THR 99.A O no hydrogen 2.922 N/A THR 103.A N LEU 100.A O no hydrogen 3.121 N/A THR 103.A OG1 LEU 100.A O no hydrogen 2.675 N/A LEU 104.A N GLN 70.A OE1 no hydrogen 2.892 N/A GLY 106.A N THR 103.A OG1 no hydrogen 3.209 N/A TYR 107.A N THR 103.A O no hydrogen 2.831 N/A LEU 108.A N LEU 104.A O no hydrogen 2.962 N/A ALA 109.A N LEU 105.A O no hydrogen 3.334 N/A ASP 110.A N GLY 106.A O no hydrogen 2.992 N/A LEU 112.A N ALA 109.A O no hydrogen 3.034 N/A THR 113.A N THR 11.A OG1 no hydrogen 3.018 N/A TRP 114.A NE1 TYR 61.A OH no hydrogen 2.998 N/A CYS 115.A N THR 10.A OG1 no hydrogen 2.997 N/A CYS 115.A SG SER 127.A O no hydrogen 3.274 N/A LYS 122.A N THR 120.A OG1 no hydrogen 3.307 N/A LYS 122.A NZ ILE 123.A O no hydrogen 2.828 N/A ASN 124.A N CYS 115.A O no hydrogen 3.006 N/A GLN 126.A N ASN 124.A OD1 no hydrogen 2.910 N/A SER 127.A N ASN 124.A OD1 no hydrogen 3.093 N/A CYS 128.A N GLY 7.A O no hydrogen 3.058 N/A CYS 128.A SG ASN 124.A O no hydrogen 3.969 N/A ASP 130.A N ASP 134.A OD2 no hydrogen 2.902 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 3.124 N/A LYS 133.A N ASP 130.A OD1 no hydrogen 2.796 N/A ASP 134.A N ASP 130.A O no hydrogen 2.844 N/A CYS 135.A N ASP 130.A O no hydrogen 3.037 N/A CYS 135.A SG PRO 53.A O no hydrogen 3.888 N/A SER 136.A OG ASN 137.A OD1 no hydrogen 3.397 N/A ASN 138.A ND2 CYS 135.A O no hydrogen 3.014 N/A ASN 138.A ND2 SER 141.A OG no hydrogen 2.982 N/A SER 141.A N ASN 138.A OD1 no hydrogen 2.898 N/A VAL 142.A N ASN 138.A O no hydrogen 2.922 N/A PHE 143.A N PRO 139.A O no hydrogen 3.143 N/A TRP 144.A N VAL 140.A O no hydrogen 3.070 N/A LYS 145.A N SER 141.A O no hydrogen 3.044 N/A THR 146.A N VAL 142.A O no hydrogen 2.975 N/A THR 146.A OG1 VAL 142.A O no hydrogen 2.697 N/A VAL 147.A N PHE 143.A O no hydrogen 2.945 N/A SER 148.A N TRP 144.A O no hydrogen 2.894 N/A SER 148.A OG TRP 144.A O no hydrogen 2.693 N/A SER 148.A OG GLU 181.A OE2 no hydrogen 3.293 N/A ARG 149.A N LYS 145.A O no hydrogen 3.042 N/A ARG 149.A NE GLU 58.A OE2 no hydrogen 3.311 N/A ARG 149.A NH1 GLU 153.A OE2 no hydrogen 3.269 N/A ARG 149.A NH2 GLU 58.A OE2 no hydrogen 2.752 N/A ARG 150.A N THR 146.A O no hydrogen 3.236 N/A PHE 151.A N VAL 147.A O no hydrogen 2.896 N/A ALA 152.A N SER 148.A O no hydrogen 2.970 N/A GLU 153.A N ARG 149.A O no hydrogen 2.903 N/A ALA 154.A N ARG 150.A O no hydrogen 3.189 N/A ALA 154.A N PHE 151.A O no hydrogen 3.105 N/A ALA 155.A N ALA 152.A O no hydrogen 3.224 N/A CYS 156.A N CYS 74.A O no hydrogen 2.910 N/A ASP 157.A N LYS 189.A O no hydrogen 2.968 N/A VAL 159.A N THR 192.A O no hydrogen 2.897 N/A HIS 160.A N ILE 77.A O no hydrogen 3.305 N/A VAL 161.A N GLU 194.A O no hydrogen 2.868 N/A MET 162.A N LEU 79.A O no hydrogen 2.867 N/A LEU 163.A N TRP 196.A O no hydrogen 2.908 N/A GLY 165.A N ILE 198.A O no hydrogen 2.793 N/A SER 166.A N ASP 164.A OD1 no hydrogen 2.962 N/A SER 166.A OG ASP 164.A OD1 no hydrogen 2.741 N/A SER 166.A OG ASP 164.A OD2 no hydrogen 3.399 N/A ARG 167.A N ASP 164.A O no hydrogen 3.293 N/A ARG 167.A NE ARG 82.A O no hydrogen 3.265 N/A ARG 167.A NH2 ARG 82.A O no hydrogen 3.505 N/A PHE 171.A N THR 213.A OG1 no hydrogen 3.055 N/A LYS 173.A NZ ASP 174.A OD1 no hydrogen 3.379 N/A ASP 174.A N ASP 172.A OD1 no hydrogen 2.933 N/A SER 175.A N ASP 172.A O no hydrogen 3.126 N/A SER 175.A OG SER 81.A OG no hydrogen 3.386 N/A SER 175.A OG ASP 172.A O no hydrogen 2.662 N/A GLY 178.A N SER 175.A OG no hydrogen 2.978 N/A SER 179.A N SER 175.A O no hydrogen 2.812 N/A SER 179.A OG SER 175.A O no hydrogen 2.909 N/A VAL 180.A N THR 176.A O no hydrogen 2.969 N/A GLU 181.A N THR 176.A O no hydrogen 3.094 N/A VAL 182.A N PHE 177.A O no hydrogen 2.944 N/A HIS 183.A N VAL 180.A O no hydrogen 3.241 N/A ASN 184.A N GLU 181.A O no hydrogen 3.091 N/A ASN 184.A ND2 VAL 180.A O no hydrogen 2.851 N/A LEU 185.A N GLU 181.A O no hydrogen 3.261 N/A GLN 186.A NE2 ASN 184.A O no hydrogen 2.920 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.741 N/A LYS 189.A N GLN 186.A O no hydrogen 2.979 N/A LYS 189.A NZ GLU 153.A O no hydrogen 2.783 N/A VAL 190.A N GLN 186.A O no hydrogen 2.876 N/A GLN 191.A N ASP 157.A O no hydrogen 2.772 N/A THR 192.A N ASP 157.A O no hydrogen 3.184 N/A THR 192.A OG1 GLN 191.A OE1 no hydrogen 2.775 N/A LEU 193.A N GLN 227.A O no hydrogen 2.888 N/A GLU 194.A N VAL 159.A O no hydrogen 2.823 N/A ALA 195.A N SER 229.A O no hydrogen 2.879 N/A TRP 196.A N VAL 161.A O no hydrogen 2.802 N/A TRP 196.A NE1 GLU 194.A OE1 no hydrogen 2.914 N/A VAL 197.A N LYS 231.A O no hydrogen 2.838 N/A ILE 198.A N LEU 163.A O no hydrogen 2.885 N/A HIS 199.A N ILE 233.A O no hydrogen 2.994 N/A HIS 199.A ND1 GLU 203.A O no hydrogen 2.760 N/A HIS 199.A NE2 ASN 232.A OD1 no hydrogen 2.766 N/A SER 205.A N GLU 203.A OE2 no hydrogen 3.309 N/A SER 205.A OG ASP 204.A OD1 no hydrogen 3.459 N/A ARG 206.A N GLU 203.A OE2 no hydrogen 2.928 N/A LEU 208.A N ASN 232.A OD1 no hydrogen 3.007 N/A CYS 209.A N ASP 207.A OD1 no hydrogen 3.065 N/A GLN 210.A N ASP 207.A O no hydrogen 3.164 N/A GLN 210.A NE2 ASP 207.A OD2 no hydrogen 3.002 N/A ASP 211.A N LEU 208.A O no hydrogen 3.017 N/A THR 213.A N ASP 211.A OD1 no hydrogen 2.917 N/A THR 213.A OG1 ASP 211.A OD1 no hydrogen 2.742 N/A LYS 215.A N ASP 211.A O no hydrogen 2.978 N/A LYS 215.A NZ GLN 210.A OE1 no hydrogen 3.050 N/A GLU 216.A N PRO 212.A O no hydrogen 2.976 N/A LEU 217.A N THR 213.A O no hydrogen 2.974 N/A GLU 218.A N ILE 214.A O no hydrogen 2.830 N/A SER 219.A N LYS 215.A O no hydrogen 2.923 N/A ILE 220.A N GLU 216.A O no hydrogen 2.929 N/A ILE 221.A N LEU 217.A O no hydrogen 2.935 N/A SER 222.A N GLU 218.A O no hydrogen 2.927 N/A SER 222.A OG GLU 218.A O no hydrogen 2.666 N/A LYS 223.A N SER 219.A O no hydrogen 3.107 N/A ARG 224.A N ILE 221.A O no hydrogen 2.961 N/A ARG 224.A NH1 VAL 182.A O no hydrogen 2.857 N/A ARG 224.A NH1 LEU 185.A O no hydrogen 2.685 N/A ARG 224.A NH2 LEU 185.A O no hydrogen 3.223 N/A ASN 225.A N SER 222.A O no hydrogen 2.926 N/A ILE 226.A N ILE 221.A O no hydrogen 3.342 N/A GLN 227.A N GLN 191.A O no hydrogen 2.922 N/A SER 229.A N LEU 193.A O no hydrogen 2.968 N/A SER 229.A OG GLU 194.A OE2 no hydrogen 2.965 N/A LYS 231.A N ALA 195.A O no hydrogen 2.857 N/A LYS 231.A NZ GLU 194.A OE1 no hydrogen 3.155 N/A LYS 231.A NZ GLU 194.A OE2 no hydrogen 2.942 N/A ASN 232.A ND2 ASP 207.A OD1 no hydrogen 2.693 N/A ILE 233.A N VAL 197.A O no hydrogen 2.878 N/A ARG 235.A NE ASP 204.A OD2 no hydrogen 2.810 N/A ARG 235.A NH2 ASP 204.A OD2 no hydrogen 2.659 N/A LYS 238.A N ARG 235.A O no hydrogen 3.176 N/A LYS 238.A NZ SER 250.A O no hydrogen 3.092 N/A PHE 239.A N ARG 235.A O no hydrogen 3.282 N/A LEU 240.A N PRO 236.A O no hydrogen 2.927 N/A GLN 241.A N ASP 237.A O no hydrogen 2.811 N/A GLN 241.A NE2 ASP 248.A OD1 no hydrogen 2.888 N/A CYS 242.A N LYS 238.A O no hydrogen 2.891 N/A CYS 242.A SG LYS 238.A O no hydrogen 3.279 N/A VAL 243.A N PHE 239.A O no hydrogen 2.913 N/A LYS 244.A N LEU 240.A O no hydrogen 3.111 N/A ASN 245.A N GLN 241.A O no hydrogen 3.134 N/A GLU 247.A N GLU 247.A OE2 no hydrogen 3.124 N/A ASP 248.A N ASN 245.A O no hydrogen 3.050 N/A SER 250.A N ASP 248.A OD2 no hydrogen 3.097 N/A SER 250.A OG ASP 248.A OD2 no hydrogen 3.262 N/A CYS 251.A N ASP 248.A O no hydrogen 2.861 N/A