Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gk3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 GLU 7.A OE1 no hydrogen 2.558 N/A LEU 8.A N VAL 80.A O no hydrogen 2.767 N/A THR 11.A N ASP 9.A OD1 no hydrogen 3.182 N/A THR 11.A OG1 ASP 9.A OD1 no hydrogen 3.248 N/A ASN 12.A N ASP 9.A O no hydrogen 2.909 N/A ILE 13.A N ALA 10.A O no hydrogen 3.144 N/A SER 14.A N ARG 31.A O no hydrogen 2.967 N/A ASP 16.A N SER 29.A O no hydrogen 2.781 N/A LYS 17.A N SER 29.A O no hydrogen 3.323 N/A VAL 19.A N VAL 27.A O no hydrogen 2.813 N/A GLY 20.A N VAL 27.A O no hydrogen 3.105 N/A GLY 22.A N GLY 25.A O no hydrogen 2.767 N/A VAL 27.A N GLY 20.A O no hydrogen 2.901 N/A CYS 28.A N ILE 44.A O no hydrogen 2.637 N/A SER 29.A N LYS 17.A O no hydrogen 2.698 N/A GLY 30.A N VAL 42.A O no hydrogen 2.949 N/A ARG 31.A N SER 14.A O no hydrogen 2.900 N/A ARG 31.A NH1 SER 41.A OG no hydrogen 2.694 N/A LEU 32.A N ILE 40.A O no hydrogen 2.902 N/A LYS 33.A N ASN 12.A O no hydrogen 2.912 N/A LYS 33.A NZ LYS 37.A O no hydrogen 2.804 N/A LYS 33.A NZ GLU 39.A OE2 no hydrogen 2.867 N/A LEU 34.A N LYS 38.A O no hydrogen 2.841 N/A LYS 37.A N LEU 34.A O no hydrogen 2.732 N/A LYS 38.A N SER 36.A OG no hydrogen 3.344 N/A ILE 40.A N LEU 32.A O no hydrogen 2.956 N/A VAL 42.A N GLY 30.A O no hydrogen 2.980 N/A ALA 43.A N THR 91.A O no hydrogen 2.926 N/A ILE 44.A N CYS 28.A O no hydrogen 2.725 N/A LYS 45.A N ILE 89.A O no hydrogen 2.842 N/A LYS 45.A NZ GLU 62.A OE1 no hydrogen 2.722 N/A THR 46.A N GLU 26.A O no hydrogen 3.004 N/A THR 46.A OG1 GLU 26.A O no hydrogen 3.540 N/A LEU 47.A N VAL 87.A O no hydrogen 2.901 N/A LYS 48.A N PHE 24.A O no hydrogen 2.795 N/A THR 52.A N GLN 55.A OE1 no hydrogen 2.731 N/A THR 52.A OG1 GLN 55.A OE1 no hydrogen 3.281 N/A LYS 54.A NZ ASP 58.A OD2 no hydrogen 2.967 N/A GLN 55.A N THR 52.A OG1 no hydrogen 3.046 N/A ARG 56.A N THR 52.A O no hydrogen 3.100 N/A ARG 57.A N GLU 53.A O no hydrogen 3.089 N/A ASP 58.A N LYS 54.A O no hydrogen 2.939 N/A PHE 59.A N GLN 55.A O no hydrogen 2.790 N/A LEU 60.A N ARG 56.A O no hydrogen 3.005 N/A GLY 61.A N ARG 57.A O no hydrogen 2.914 N/A SER 64.A N LEU 60.A O no hydrogen 3.102 N/A ILE 65.A N GLY 61.A O no hydrogen 3.288 N/A MET 66.A N GLU 62.A O no hydrogen 2.924 N/A GLY 67.A N ALA 63.A O no hydrogen 2.836 N/A GLN 68.A N ILE 65.A O no hydrogen 2.972 N/A GLN 68.A NE2 SER 64.A O no hydrogen 3.089 N/A GLN 68.A NE2 TYR 134.A OH no hydrogen 2.976 N/A PHE 69.A N MET 66.A O no hydrogen 3.137 N/A ASN 73.A N HIS 71.A ND1 no hydrogen 2.948 N/A ASN 73.A ND2 CYS 152.A O no hydrogen 2.947 N/A ILE 74.A N HIS 71.A O no hydrogen 3.155 N/A ILE 75.A N VAL 154.A O no hydrogen 3.012 N/A ARG 76.A N GLU 92.A OE2 no hydrogen 2.716 N/A ARG 76.A NE GLU 78.A OE2 no hydrogen 3.221 N/A GLU 78.A N VAL 90.A O no hydrogen 2.743 N/A GLY 79.A N VAL 90.A O no hydrogen 3.153 N/A VAL 80.A N LYS 6.A O no hydrogen 2.994 N/A VAL 81.A N MET 88.A O no hydrogen 2.915 N/A THR 82.A N GLU 7.A OE2 no hydrogen 2.772 N/A THR 82.A OG1 GLU 7.A OE1 no hydrogen 2.590 N/A THR 82.A OG1 GLU 7.A OE2 no hydrogen 3.316 N/A LYS 83.A N GLU 7.A OE2 no hydrogen 2.974 N/A LYS 85.A NZ TYR 51.A OH no hydrogen 2.923 N/A MET 88.A N VAL 81.A O no hydrogen 2.969 N/A ILE 89.A N LYS 45.A O no hydrogen 2.894 N/A VAL 90.A N GLY 79.A O no hydrogen 2.824 N/A THR 91.A N ALA 43.A O no hydrogen 2.894 N/A THR 91.A OG1 GLU 92.A O no hydrogen 3.123 N/A GLU 92.A N ARG 76.A O no hydrogen 2.987 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 2.633 N/A ASN 96.A N ILE 146.A O no hydrogen 2.866 N/A ASN 96.A ND2 ASN 147.A O no hydrogen 2.898 N/A GLY 97.A N MET 94.A O no hydrogen 3.353 N/A SER 98.A OG.A ARG 142.A O no hydrogen 3.403 N/A SER 98.A OG.B ASP 100.A OD1 no hydrogen 3.134 N/A SER 98.A OG.B SER 101.A OG no hydrogen 2.672 N/A LEU 99.A N ILE 144.A O no hydrogen 2.832 N/A SER 101.A OG SER 98.A O.A no hydrogen 3.159 N/A SER 101.A OG SER 98.A O.B no hydrogen 3.204 N/A SER 101.A OG SER 98.A OG.B no hydrogen 2.672 N/A PHE 102.A N SER 98.A O.A no hydrogen 2.947 N/A PHE 102.A N SER 98.A O.B no hydrogen 2.980 N/A LEU 103.A N LEU 99.A O no hydrogen 2.897 N/A ARG 104.A N ASP 100.A O no hydrogen 3.103 N/A ARG 104.A NE GLY 199.A O no hydrogen 2.831 N/A ARG 104.A NH1 ASP 100.A OD2 no hydrogen 2.932 N/A ARG 104.A NH1 GLY 199.A O no hydrogen 3.381 N/A ARG 104.A NH2 ASP 100.A OD2 no hydrogen 3.084 N/A LYS 105.A N PHE 102.A O no hydrogen 3.127 N/A HIS 106.A N LEU 103.A O no hydrogen 2.958 N/A HIS 106.A ND1 GLN 109.A OE1 no hydrogen 2.852 N/A GLN 109.A N HIS 106.A O no hydrogen 2.889 N/A PHE 110.A N TYR 198.A OH no hydrogen 2.998 N/A THR 111.A N GLN 114.A OE1 no hydrogen 2.969 N/A GLN 114.A N THR 111.A OG1 no hydrogen 3.002 N/A LEU 115.A N THR 111.A O no hydrogen 3.130 N/A VAL 116.A N VAL 112.A O no hydrogen 2.861 N/A GLY 117.A N ILE 113.A O no hydrogen 2.957 N/A MET 118.A N GLN 114.A O no hydrogen 3.126 N/A LEU 119.A N LEU 115.A O no hydrogen 3.019 N/A ARG 120.A N VAL 116.A O no hydrogen 2.867 N/A ARG 120.A NE ASP 257.A OD1 no hydrogen 2.477 N/A ARG 120.A NE ASP 257.A OD2 no hydrogen 3.417 N/A ARG 120.A NH2 ASP 257.A OD2 no hydrogen 2.753 N/A GLY 121.A N GLY 117.A O no hydrogen 3.167 N/A ILE 122.A N MET 118.A O no hydrogen 3.126 N/A ALA 123.A N LEU 119.A O no hydrogen 2.933 N/A SER 124.A N ARG 120.A O no hydrogen 2.856 N/A GLY 125.A N GLY 121.A O no hydrogen 2.903 N/A MET 126.A N ILE 122.A O no hydrogen 3.006 N/A LYS 127.A N ALA 123.A O no hydrogen 2.875 N/A LYS 127.A NZ ASP 131.A OD1 no hydrogen 3.431 N/A LYS 127.A NZ ASP 131.A OD2 no hydrogen 2.592 N/A TYR 128.A N SER 124.A O no hydrogen 3.156 N/A LEU 129.A N GLY 125.A O no hydrogen 2.963 N/A SER 130.A N MET 126.A O no hydrogen 2.878 N/A SER 130.A OG MET 126.A O no hydrogen 2.896 N/A SER 130.A OG LYS 127.A O no hydrogen 2.936 N/A ASP 131.A N LYS 127.A O no hydrogen 2.877 N/A MET 132.A N TYR 128.A O no hydrogen 2.969 N/A MET 132.A N LEU 129.A O no hydrogen 3.248 N/A GLY 133.A N SER 130.A O no hydrogen 2.988 N/A TYR 134.A N LEU 129.A O no hydrogen 3.157 N/A TYR 134.A OH GLN 68.A OE1 no hydrogen 2.849 N/A VAL 135.A N ARG 161.A O no hydrogen 3.009 N/A HIS 136.A N ASP 184.A OD2 no hydrogen 2.785 N/A HIS 136.A NE2 SER 155.A O no hydrogen 3.228 N/A ARG 137.A N ASP 184.A OD1 no hydrogen 2.994 N/A ARG 137.A NE LEU 159.A O no hydrogen 2.800 N/A ARG 137.A NH1 LEU 159.A O no hydrogen 2.912 N/A ASP 138.A N HIS 136.A ND1 no hydrogen 3.015 N/A ALA 141.A N GLU 194.A OE2 no hydrogen 2.847 N/A ASN 143.A N ALA 140.A O no hydrogen 2.849 N/A ASN 143.A ND2 ASP 138.A O no hydrogen 2.738 N/A ASN 143.A ND2 ASP 138.A OD2 no hydrogen 2.898 N/A ILE 144.A N ALA 141.A O no hydrogen 3.142 N/A LEU 145.A N LYS 153.A O no hydrogen 3.035 N/A ILE 146.A N GLY 97.A O no hydrogen 2.895 N/A ASN 147.A N VAL 151.A O no hydrogen 3.031 N/A SER 148.A N GLU 95.A OE1 no hydrogen 3.136 N/A ASN 149.A N ASN 147.A OD1 no hydrogen 2.854 N/A LEU 150.A N ASN 147.A O no hydrogen 3.013 N/A VAL 151.A N ASN 147.A OD1 no hydrogen 3.007 N/A CYS 152.A SG LEU 150.A O no hydrogen 3.763 N/A LYS 153.A N LEU 145.A O no hydrogen 2.971 N/A LYS 153.A NZ PRO 72.A O no hydrogen 3.251 N/A LYS 153.A NZ GLU 92.A OE1 no hydrogen 2.850 N/A LYS 153.A NZ GLU 92.A OE2 no hydrogen 3.212 N/A VAL 154.A N ASN 73.A O no hydrogen 2.842 N/A SER 155.A N ASN 143.A O no hydrogen 2.885 N/A SER 155.A OG.B LYS 153.A O no hydrogen 3.446 N/A ASP 156.A N SER 155.A OG.A no hydrogen 2.250 N/A PHE 157.A N GLU 62.A OE2 no hydrogen 2.760 N/A GLY 158.A N ASP 156.A OD1 no hydrogen 3.016 N/A SER 160.A N PHE 157.A O no hydrogen 3.228 N/A SER 160.A OG PHE 157.A O no hydrogen 2.962 N/A ARG 161.A N VAL 135.A O no hydrogen 3.129 N/A LEU 163.A N GLY 133.A O no hydrogen 2.814 N/A ARG 167.A NE PRO 202.A O no hydrogen 2.884 N/A ARG 167.A NE TRP 204.A O no hydrogen 3.278 N/A ARG 167.A NH1 ASN 208.A OD1 no hydrogen 3.172 N/A ARG 167.A NH2 TRP 204.A O no hydrogen 2.943 N/A ARG 167.A NH2 MET 206.A O no hydrogen 2.603 N/A TRP 168.A N PRO 165.A O no hydrogen 3.105 N/A TRP 168.A NE1 GLU 194.A OE2 no hydrogen 2.849 N/A THR 169.A N ILE 166.A O no hydrogen 3.120 N/A THR 169.A OG1 PRO 165.A O no hydrogen 2.673 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.829 N/A ALA 173.A N SER 170.A OG no hydrogen 3.327 N/A ILE 174.A N SER 170.A O no hydrogen 2.947 N/A ALA 175.A N PRO 171.A O no hydrogen 2.834 N/A TYR 176.A N GLU 172.A O no hydrogen 3.038 N/A ARG 177.A N ALA 173.A O no hydrogen 2.914 N/A LYS 178.A N GLU 172.A O no hydrogen 3.464 N/A THR 180.A N SER 183.A OG no hydrogen 2.767 N/A SER 183.A N THR 180.A O no hydrogen 2.965 N/A SER 183.A N THR 180.A OG1 no hydrogen 3.287 N/A SER 183.A OG THR 180.A O no hydrogen 2.628 N/A ASP 184.A N THR 180.A O no hydrogen 3.284 N/A VAL 185.A N SER 181.A O no hydrogen 2.992 N/A TRP 186.A N ALA 182.A O no hydrogen 3.195 N/A SER 187.A N SER 183.A O no hydrogen 3.156 N/A SER 187.A OG TRP 168.A O no hydrogen 2.542 N/A SER 187.A OG SER 183.A O no hydrogen 3.362 N/A TYR 188.A N ASP 184.A O no hydrogen 2.757 N/A TYR 188.A OH LEU 119.A O no hydrogen 2.769 N/A GLY 189.A N VAL 185.A O no hydrogen 2.951 N/A ILE 190.A N TRP 186.A O no hydrogen 3.131 N/A VAL 191.A N SER 187.A O no hydrogen 2.901 N/A LEU 192.A N TYR 188.A O no hydrogen 2.799 N/A TRP 193.A N GLY 189.A O no hydrogen 3.094 N/A TRP 193.A NE1 PRO 222.A O no hydrogen 2.771 N/A GLU 194.A N ILE 190.A O no hydrogen 2.853 N/A VAL 195.A N VAL 191.A O no hydrogen 2.833 N/A MET 196.A N LEU 192.A O no hydrogen 3.006 N/A SER 197.A N TRP 193.A O no hydrogen 2.928 N/A SER 197.A N GLU 194.A O no hydrogen 3.190 N/A SER 197.A OG TRP 193.A O no hydrogen 2.819 N/A TYR 198.A N VAL 195.A O no hydrogen 2.989 N/A GLY 199.A N GLU 194.A O no hydrogen 2.834 N/A GLU 200.A N SER 197.A O no hydrogen 3.420 N/A ARG 201.A NE TRP 204.A O no hydrogen 3.014 N/A TRP 204.A N ARG 201.A O no hydrogen 2.849 N/A TRP 204.A NE1 GLU 200.A OE1 no hydrogen 2.419 N/A MET 206.A N TYR 203.A O no hydrogen 2.992 N/A SER 207.A OG ASP 210.A OD2 no hydrogen 2.800 N/A ASP 210.A N SER 207.A O no hydrogen 3.055 N/A ASP 210.A N SER 207.A OG no hydrogen 3.346 N/A VAL 211.A N SER 207.A O no hydrogen 3.042 N/A ILE 212.A N ASN 208.A O no hydrogen 2.975 N/A LYS 213.A N GLN 209.A O no hydrogen 2.970 N/A ALA 214.A N ASP 210.A O no hydrogen 2.831 N/A VAL 215.A N VAL 211.A O no hydrogen 3.096 N/A ASP 216.A N ILE 212.A O no hydrogen 3.163 N/A GLU 217.A N LYS 213.A O no hydrogen 2.931 N/A GLY 218.A N VAL 215.A O no hydrogen 2.998 N/A TYR 219.A N ALA 214.A O no hydrogen 3.018 N/A ARG 220.A N LEU 274.A O no hydrogen 2.711 N/A ARG 220.A NE TRP 239.A O no hydrogen 3.026 N/A ARG 220.A NH1 VAL 215.A O no hydrogen 2.963 N/A ARG 220.A NH1 TYR 219.A O no hydrogen 2.879 N/A ARG 220.A NH2 TRP 239.A O no hydrogen 2.903 N/A CYS 227.A N PRO 224.A O no hydrogen 3.136 N/A CYS 227.A SG PRO 228.A O no hydrogen 3.427 N/A ALA 229.A N ILE 268.A O no hydrogen 2.816 N/A LEU 231.A N PRO 228.A O no hydrogen 3.027 N/A TYR 232.A N PRO 228.A O no hydrogen 3.053 N/A TYR 232.A OH LEU 221.A O no hydrogen 2.725 N/A GLN 233.A N ALA 229.A O no hydrogen 2.823 N/A GLN 233.A NE2 ASP 237.A OD1 no hydrogen 2.923 N/A LEU 234.A N ALA 230.A O no hydrogen 3.126 N/A MET 235.A N LEU 231.A O no hydrogen 3.099 N/A LEU 236.A N TYR 232.A O no hydrogen 3.068 N/A ASP 237.A N GLN 233.A O no hydrogen 2.878 N/A CYS 238.A N LEU 234.A O no hydrogen 2.911 N/A CYS 238.A SG LEU 234.A O no hydrogen 3.330 N/A TRP 239.A N MET 235.A O no hydrogen 2.903 N/A TRP 239.A N LEU 236.A O no hydrogen 3.143 N/A GLN 240.A N ASP 237.A O no hydrogen 3.428 N/A GLN 240.A NE2 LEU 236.A O no hydrogen 3.155 N/A ASN 244.A N ASP 242.A OD1 no hydrogen 2.964 N/A ASN 245.A N ASP 242.A O no hydrogen 2.935 N/A ARG 246.A N ARG 243.A O no hydrogen 3.111 N/A ARG 246.A NE GLN 240.A O no hydrogen 2.879 N/A ARG 246.A NH1 GLU 172.A OE2 no hydrogen 2.879 N/A ARG 246.A NH1 ALA 182.A O no hydrogen 2.875 N/A ARG 246.A NH2 GLU 172.A OE1 no hydrogen 2.903 N/A ARG 246.A NH2 GLU 172.A OE2 no hydrogen 3.523 N/A ARG 246.A NH2 GLN 240.A O no hydrogen 3.032 N/A LYS 248.A N GLN 251.A OE1 no hydrogen 2.854 N/A ILE 252.A N LYS 248.A O no hydrogen 3.070 N/A VAL 253.A N PHE 249.A O no hydrogen 2.910 N/A SER 254.A N GLU 250.A O no hydrogen 3.077 N/A SER 254.A OG.B GLU 250.A O no hydrogen 3.158 N/A ILE 255.A N GLN 251.A O no hydrogen 2.922 N/A LEU 256.A N ILE 252.A O no hydrogen 2.965 N/A ASP 257.A N VAL 253.A O no hydrogen 2.829 N/A LYS 258.A N SER 254.A O no hydrogen 3.138 N/A LEU 259.A N ILE 255.A O no hydrogen 3.198 N/A ILE 260.A N LEU 256.A O no hydrogen 2.971 N/A ARG 261.A N ASP 257.A O no hydrogen 3.165 N/A ASN 262.A N LYS 258.A O no hydrogen 3.002 N/A SER 265.A N ASN 262.A O no hydrogen 3.009 N/A SER 265.A N ASN 262.A OD1 no hydrogen 3.281 N/A LYS 267.A N GLY 264.A O no hydrogen 2.862 N/A LYS 267.A NZ GLY 264.A O no hydrogen 3.411 N/A THR 270.A N CYS 227.A O no hydrogen 3.002 N/A SER 271.A OG LEU 273.A O no hydrogen 2.897 N/A LEU 274.A N ARG 220.A O no hydrogen 2.834 N/A