Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8c1k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 6.A OD2 no hydrogen 3.016 N/A ASP 6.A N ALA 3.A O no hydrogen 3.151 N/A PHE 7.A N LEU 4.A O no hydrogen 3.104 N/A GLU 8.A N ARG 25.A O no hydrogen 2.872 N/A GLY 10.A N LEU 23.A O no hydrogen 2.721 N/A LEU 13.A N VAL 21.A O no hydrogen 2.761 N/A GLY 14.A N VAL 21.A O no hydrogen 3.488 N/A GLY 16.A N GLY 19.A O no hydrogen 2.766 N/A ASN 20.A N VAL 37.A O no hydrogen 3.267 N/A VAL 21.A N GLY 14.A O no hydrogen 2.948 N/A TYR 22.A N LEU 35.A O no hydrogen 2.880 N/A LEU 23.A N ARG 11.A O no hydrogen 2.900 N/A ALA 24.A N LEU 33.A O no hydrogen 2.759 N/A ARG 25.A N GLU 8.A O no hydrogen 2.873 N/A ARG 25.A NH2 GLU 8.A OE1 no hydrogen 2.681 N/A GLU 26.A N PHE 31.A O no hydrogen 2.909 N/A LYS 27.A N ASP 6.A O no hydrogen 3.124 N/A LYS 27.A NZ GLU 5.A O no hydrogen 2.934 N/A GLN 28.A N GLU 26.A OE2 no hydrogen 3.156 N/A SER 29.A N GLU 26.A OE1 no hydrogen 2.553 N/A SER 29.A OG GLU 26.A OE1 no hydrogen 2.791 N/A LYS 30.A N GLU 26.A O no hydrogen 2.785 N/A LEU 33.A N ALA 24.A O no hydrogen 2.810 N/A ALA 34.A N LEU 84.A O no hydrogen 3.044 N/A LEU 35.A N TYR 22.A O no hydrogen 2.769 N/A LYS 36.A N LEU 82.A O no hydrogen 2.765 N/A LYS 36.A NZ GLU 55.A OE2 no hydrogen 3.114 N/A VAL 37.A N ASN 20.A O no hydrogen 2.980 N/A LEU 38.A N VAL 80.A O no hydrogen 2.755 N/A PHE 39.A N PHE 18.A O no hydrogen 2.907 N/A LYS 40.A N THR 78.A O no hydrogen 2.749 N/A LYS 40.A NZ HIS 75.A ND1 no hydrogen 2.887 N/A LYS 40.A NZ ASP 76.A O no hydrogen 2.728 N/A LEU 43.A N PHE 39.A O no hydrogen 3.224 N/A GLU 44.A N LYS 40.A O no hydrogen 2.883 N/A LYS 45.A N ALA 41.A O no hydrogen 3.045 N/A ALA 46.A N GLN 42.A O no hydrogen 3.388 N/A GLY 47.A N GLU 44.A O no hydrogen 3.083 N/A VAL 48.A N LEU 43.A O no hydrogen 3.299 N/A GLN 51.A NE2 GLY 150.A O no hydrogen 2.813 N/A GLN 51.A NE2 SER 152.A O no hydrogen 2.697 N/A LEU 52.A N VAL 48.A O no hydrogen 2.946 N/A ARG 53.A N GLU 49.A O no hydrogen 3.316 N/A ARG 54.A N HIS 50.A O no hydrogen 3.249 N/A ARG 54.A NE GLN 51.A OE1 no hydrogen 2.771 N/A ARG 54.A NH1 GLN 51.A OE1 no hydrogen 2.970 N/A GLU 55.A N GLN 51.A O no hydrogen 2.833 N/A VAL 56.A N LEU 52.A O no hydrogen 2.804 N/A GLU 57.A N ARG 53.A O no hydrogen 2.737 N/A ILE 58.A N ARG 54.A O no hydrogen 2.947 N/A GLN 59.A N GLU 55.A O no hydrogen 3.159 N/A GLN 59.A NE2 LEU 68.A O no hydrogen 3.198 N/A SER 60.A N VAL 56.A O no hydrogen 3.146 N/A SER 60.A OG VAL 56.A O no hydrogen 2.283 N/A HIS 61.A N ILE 58.A O no hydrogen 3.326 N/A LEU 62.A N GLN 59.A O no hydrogen 3.150 N/A ARG 63.A N TYR 120.A OH no hydrogen 2.812 N/A ARG 63.A NH1 SER 60.A O no hydrogen 2.799 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 2.937 N/A ASN 66.A ND2 GLU 113.A OE1 no hydrogen 3.182 N/A ASN 66.A ND2 LEU 144.A O no hydrogen 2.875 N/A ILE 67.A N HIS 64.A O no hydrogen 3.140 N/A LEU 68.A N ILE 146.A O no hydrogen 2.891 N/A ARG 69.A N GLU 85.A OE1 no hydrogen 3.055 N/A TYR 71.A N ILE 83.A O no hydrogen 2.982 N/A PHE 74.A N TYR 81.A O no hydrogen 2.988 N/A ASP 76.A N ARG 79.A O no hydrogen 2.825 N/A ARG 79.A N ASP 76.A OD1 no hydrogen 2.733 N/A ARG 79.A NH2 ASP 76.A OD2 no hydrogen 2.978 N/A VAL 80.A N LEU 38.A O no hydrogen 2.808 N/A TYR 81.A N PHE 74.A O no hydrogen 2.754 N/A TYR 81.A OH ASP 76.A OD2 no hydrogen 3.093 N/A LEU 82.A N LYS 36.A O no hydrogen 2.774 N/A ILE 83.A N GLY 72.A O no hydrogen 2.999 N/A LEU 84.A N ALA 34.A O no hydrogen 2.720 N/A GLU 85.A N ARG 69.A O no hydrogen 2.918 N/A LEU 89.A N LEU 138.A O no hydrogen 3.003 N/A VAL 92.A N LEU 136.A O no hydrogen 2.709 N/A TYR 93.A N PRO 133.A O no hydrogen 3.258 N/A ARG 94.A N THR 91.A OG1 no hydrogen 2.967 N/A LEU 96.A N VAL 92.A O no hydrogen 2.919 N/A GLN 97.A N TYR 93.A O no hydrogen 3.221 N/A LYS 98.A N ARG 94.A O no hydrogen 3.244 N/A LEU 99.A N GLU 95.A O no hydrogen 3.069 N/A PHE 102.A N PHE 196.A O no hydrogen 2.720 N/A ARG 106.A N ASP 103.A OD1 no hydrogen 2.729 N/A ARG 106.A NE TYR 110.A OH no hydrogen 3.081 N/A ARG 106.A NH2 GLU 95.A OE1 no hydrogen 2.549 N/A ARG 106.A NH2 TYR 110.A OH no hydrogen 2.902 N/A THR 107.A N ASP 103.A O no hydrogen 3.121 N/A THR 107.A OG1 ASP 103.A O no hydrogen 2.761 N/A ALA 108.A N GLU 104.A O no hydrogen 2.960 N/A THR 109.A N GLN 105.A O no hydrogen 2.980 N/A THR 109.A OG1 GLN 105.A O no hydrogen 2.495 N/A TYR 110.A N ARG 106.A O no hydrogen 2.958 N/A ILE 111.A N THR 107.A O no hydrogen 2.858 N/A THR 112.A N ALA 108.A O no hydrogen 2.862 N/A THR 112.A OG1 ALA 108.A O no hydrogen 3.081 N/A THR 112.A OG1 SER 261.A OG no hydrogen 2.765 N/A GLU 113.A N THR 109.A O no hydrogen 3.149 N/A LEU 114.A N TYR 110.A O no hydrogen 2.900 N/A ALA 115.A N ILE 111.A O no hydrogen 2.859 N/A ASN 116.A N THR 112.A O no hydrogen 2.854 N/A ALA 117.A N GLU 113.A O no hydrogen 3.050 N/A LEU 118.A N LEU 114.A O no hydrogen 2.732 N/A SER 119.A N ALA 115.A O no hydrogen 2.766 N/A SER 119.A OG ASN 116.A O no hydrogen 3.155 N/A TYR 120.A N ASN 116.A O no hydrogen 3.237 N/A CYS 121.A N ALA 117.A O no hydrogen 2.951 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.254 N/A HIS 122.A N LEU 118.A O no hydrogen 2.908 N/A HIS 122.A NE2 ASP 185.A OD2 no hydrogen 2.924 N/A SER 123.A N SER 119.A O no hydrogen 2.855 N/A SER 123.A OG TYR 120.A O no hydrogen 2.592 N/A LYS 124.A N CYS 121.A O no hydrogen 3.062 N/A LYS 124.A NZ TYR 120.A OH no hydrogen 3.533 N/A ARG 125.A N HIS 122.A O no hydrogen 2.851 N/A ARG 125.A NE ALA 155.A O no hydrogen 3.186 N/A ARG 125.A NH2 ALA 155.A O no hydrogen 3.367 N/A VAL 126.A N CYS 121.A O no hydrogen 3.038 N/A ILE 127.A N VAL 153.A O no hydrogen 3.009 N/A HIS 128.A N ASP 185.A OD2 no hydrogen 2.997 N/A HIS 128.A NE2 ALA 147.A O no hydrogen 2.780 N/A ARG 129.A N ASP 185.A OD1 no hydrogen 3.088 N/A ARG 129.A NE TRP 151.A O no hydrogen 2.795 N/A ARG 129.A NH1 ARG 159.A O no hydrogen 3.353 N/A ARG 129.A NH1 HIS 180.A NE2 no hydrogen 2.793 N/A ARG 129.A NH2 TRP 151.A O no hydrogen 2.981 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.057 N/A LYS 132.A NZ ASP 130.A OD1 no hydrogen 2.856 N/A ASN 135.A N LYS 132.A O no hydrogen 2.931 N/A LEU 136.A N PRO 133.A O no hydrogen 3.202 N/A LEU 137.A N LYS 145.A O no hydrogen 2.778 N/A LEU 138.A N GLY 90.A O no hydrogen 2.731 N/A GLY 139.A N GLU 143.A O no hydrogen 2.814 N/A ALA 141.A N GLU 143.A OE1 no hydrogen 2.902 N/A GLY 142.A N GLY 139.A O no hydrogen 2.937 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.692 N/A LEU 144.A N GLU 113.A OE2 no hydrogen 3.251 N/A LYS 145.A N LEU 137.A O no hydrogen 2.727 N/A LYS 145.A NZ PRO 65.A O no hydrogen 2.673 N/A ILE 146.A N ASN 66.A O no hydrogen 2.882 N/A ALA 147.A N ASN 135.A O no hydrogen 2.919 N/A GLY 150.A N ASP 148.A OD1 no hydrogen 3.318 N/A SER 152.A N PHE 149.A O no hydrogen 3.121 N/A SER 152.A OG ILE 127.A O no hydrogen 2.675 N/A VAL 153.A N ILE 127.A O no hydrogen 3.194 N/A ALA 155.A N ARG 125.A O no hydrogen 2.702 N/A SER 157.A N HIS 180.A O no hydrogen 3.227 N/A ARG 159.A N SER 157.A OG no hydrogen 3.059 N/A TYR 169.A OH GLU 195.A OE1 no hydrogen 2.545 N/A LEU 170.A N LEU 167.A O no hydrogen 2.890 N/A ILE 175.A N PRO 171.A O no hydrogen 3.151 N/A GLU 176.A N PRO 172.A O no hydrogen 2.696 N/A GLY 177.A N MET 174.A O no hydrogen 3.127 N/A ARG 178.A N GLU 173.A O no hydrogen 2.930 N/A ARG 178.A NH1 GLU 176.A OE2 no hydrogen 2.967 N/A HIS 180.A N SER 157.A O no hydrogen 2.977 N/A HIS 180.A ND1 ARG 178.A O no hydrogen 3.156 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.775 N/A VAL 184.A N ASP 181.A O no hydrogen 3.410 N/A ASP 185.A N GLU 182.A O no hydrogen 3.260 N/A LEU 186.A N LYS 183.A O no hydrogen 3.073 N/A TRP 187.A N LYS 183.A O no hydrogen 3.104 N/A SER 188.A N VAL 184.A O no hydrogen 3.122 N/A SER 188.A OG TYR 169.A O no hydrogen 2.748 N/A SER 188.A OG VAL 184.A O no hydrogen 3.541 N/A LEU 189.A N ASP 185.A O no hydrogen 3.015 N/A GLY 190.A N LEU 186.A O no hydrogen 3.130 N/A VAL 191.A N TRP 187.A O no hydrogen 3.065 N/A LEU 192.A N SER 188.A O no hydrogen 2.799 N/A CYS 193.A N LEU 189.A O no hydrogen 2.908 N/A TYR 194.A N GLY 190.A O no hydrogen 3.154 N/A TYR 194.A OH THR 221.A O no hydrogen 2.683 N/A GLU 195.A N VAL 191.A O no hydrogen 2.983 N/A PHE 196.A N LEU 192.A O no hydrogen 2.962 N/A VAL 198.A N TYR 194.A O no hydrogen 2.848 N/A GLY 199.A N GLU 195.A O no hydrogen 2.666 N/A GLU 204.A N PRO 201.A O no hydrogen 3.391 N/A GLU 210.A N THR 207.A OG1 no hydrogen 3.186 N/A THR 211.A N THR 207.A O no hydrogen 3.308 N/A THR 211.A OG1 PHE 203.A O no hydrogen 3.076 N/A THR 211.A OG1 THR 207.A O no hydrogen 3.309 N/A TYR 212.A N TYR 208.A O no hydrogen 3.099 N/A LYS 213.A N GLN 209.A O no hydrogen 3.361 N/A ARG 214.A N GLU 210.A O no hydrogen 2.926 N/A ILE 215.A N THR 211.A O no hydrogen 2.809 N/A SER 216.A N TYR 212.A O no hydrogen 2.865 N/A ARG 217.A N LYS 213.A O no hydrogen 2.751 N/A ARG 217.A NH1 GLU 219.A OE1 no hydrogen 3.245 N/A VAL 218.A N ILE 215.A O no hydrogen 3.150 N/A GLU 219.A N ARG 214.A O no hydrogen 2.830 N/A VAL 226.A N PRO 223.A O no hydrogen 3.331 N/A THR 227.A OG1 GLU 104.A OE2 no hydrogen 2.654 N/A ALA 230.A N THR 227.A OG1 no hydrogen 3.354 N/A ARG 231.A N THR 227.A O no hydrogen 2.957 N/A ARG 231.A NH1 PRO 223.A O no hydrogen 3.061 N/A ASP 232.A N GLU 228.A O no hydrogen 3.011 N/A LEU 233.A N GLY 229.A O no hydrogen 3.229 N/A ILE 234.A N ALA 230.A O no hydrogen 2.991 N/A SER 235.A N ARG 231.A O no hydrogen 2.854 N/A SER 235.A OG ARG 231.A O no hydrogen 3.157 N/A ARG 236.A N ASP 232.A O no hydrogen 2.875 N/A LEU 237.A N LEU 233.A O no hydrogen 3.016 N/A LEU 238.A N ILE 234.A O no hydrogen 2.881 N/A ASN 241.A ND2 SER 243.A OG no hydrogen 2.768 N/A ASN 241.A ND2 GLN 244.A OE1 no hydrogen 2.803 N/A GLN 244.A N ASN 241.A O no hydrogen 3.021 N/A ARG 245.A N PRO 242.A O no hydrogen 2.947 N/A ARG 245.A NE LYS 239.A O no hydrogen 2.740 N/A ARG 245.A NH1 GLU 173.A OE2 no hydrogen 2.770 N/A ARG 245.A NH1 LYS 183.A O no hydrogen 2.932 N/A ARG 245.A NH2 GLU 173.A OE2 no hydrogen 3.283 N/A ARG 245.A NH2 LYS 239.A O no hydrogen 2.919 N/A MET 247.A N GLU 250.A OE1 no hydrogen 2.926 N/A VAL 251.A N MET 247.A O no hydrogen 3.303 N/A LEU 252.A N LEU 248.A O no hydrogen 2.718 N/A GLU 253.A N ARG 249.A O no hydrogen 2.992 N/A GLU 253.A N GLU 250.A O no hydrogen 3.234 N/A HIS 254.A N VAL 251.A O no hydrogen 3.019 N/A HIS 254.A NE2 ASP 232.A OD2 no hydrogen 2.621 N/A TRP 256.A N HIS 254.A ND1 no hydrogen 3.076 N/A TRP 256.A NE1 GLU 104.A OE2 no hydrogen 2.734 N/A TRP 256.A NE1 THR 227.A OG1 no hydrogen 3.090 N/A THR 258.A N HIS 254.A O no hydrogen 2.858 N/A THR 258.A OG1 HIS 254.A O no hydrogen 2.887 N/A THR 258.A OG1 PRO 255.A O no hydrogen 2.769 N/A ALA 259.A N PRO 255.A O no hydrogen 2.777 N/A ASN 260.A N TRP 256.A O no hydrogen 2.967 N/A ASN 260.A ND2 TRP 256.A O no hydrogen 2.599 N/A SER 261.A N ILE 257.A O no hydrogen 2.632 N/A SER 261.A OG THR 112.A OG1 no hydrogen 2.765 N/A