Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1de8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 5.A OD1 no hydrogen 2.770 N/A HIS 9.A N ASP 255.A OD2 no hydrogen 2.738 N/A SER 12.A N LYS 16.A O no hydrogen 3.224 N/A SER 14.A OG PRO 251.A O no hydrogen 2.903 N/A GLY 15.A N SER 12.A OG no hydrogen 3.015 N/A LYS 16.A NZ LEU 276.A O no hydrogen 3.158 N/A ALA 18.A N LYS 10.A O no hydrogen 3.231 N/A THR 19.A N LEU 274.A O no hydrogen 2.898 N/A THR 19.A OG1 LEU 274.A O no hydrogen 3.339 N/A THR 19.A OG1 LEU 276.A O no hydrogen 2.902 N/A LYS 21.A N ASP 48.A OD1 no hydrogen 3.032 N/A LYS 21.A NZ GLU 45.A O no hydrogen 2.713 N/A ILE 22.A N LEU 272.A O no hydrogen 2.758 N/A CYS 23.A N ILE 49.A O no hydrogen 2.847 N/A CYS 23.A SG SER 24.A O no hydrogen 4.022 N/A CYS 23.A SG ILE 270.A O no hydrogen 3.959 N/A SER 24.A N ILE 270.A O no hydrogen 2.906 N/A SER 24.A OG CYS 51.A O no hydrogen 3.479 N/A TRP 25.A N CYS 51.A O no hydrogen 2.746 N/A TRP 25.A NE1 HIS 267.A O no hydrogen 2.977 N/A ASN 26.A ND2 GLU 54.A OE1 no hydrogen 3.093 N/A VAL 27.A N GLN 53.A O no hydrogen 3.180 N/A ASP 28.A N ASN 26.A OD1 no hydrogen 3.277 N/A GLY 29.A N GLU 54.A O no hydrogen 3.131 N/A LEU 30.A N THR 55.A O no hydrogen 2.851 N/A TRP 33.A N GLY 29.A O no hydrogen 3.036 N/A ILE 34.A N LEU 30.A O no hydrogen 2.870 N/A LYS 35.A N ARG 31.A O no hydrogen 3.083 N/A LYS 36.A N ALA 32.A O no hydrogen 2.860 N/A LYS 36.A NZ TYR 227.A OH no hydrogen 3.361 N/A LYS 37.A N ILE 34.A O no hydrogen 2.931 N/A GLY 38.A N TRP 33.A O no hydrogen 3.266 N/A ASP 40.A N LYS 37.A O no hydrogen 3.327 N/A VAL 42.A N GLY 38.A O no hydrogen 2.933 N/A LYS 43.A N LEU 39.A O no hydrogen 2.744 N/A GLU 44.A N ASP 40.A O no hydrogen 2.823 N/A GLU 45.A N TRP 41.A O no hydrogen 2.563 N/A GLU 45.A N VAL 42.A O no hydrogen 2.725 N/A ALA 46.A N VAL 42.A O no hydrogen 2.830 N/A ASP 48.A N LYS 21.A O no hydrogen 2.713 N/A ILE 49.A N LYS 21.A O no hydrogen 3.190 N/A LEU 50.A N LEU 92.A O no hydrogen 2.733 N/A CYS 51.A N CYS 23.A O no hydrogen 2.809 N/A LEU 52.A N GLY 90.A O no hydrogen 2.691 N/A GLN 53.A N TRP 25.A O no hydrogen 2.539 N/A GLN 53.A NE2 SER 24.A OG no hydrogen 2.680 N/A GLN 53.A NE2 THR 127.A OG1 no hydrogen 3.033 N/A THR 55.A N GLY 88.A O no hydrogen 2.689 N/A LYS 56.A N SER 87.A O no hydrogen 2.715 N/A LYS 56.A NZ ASP 28.A OD1 no hydrogen 3.056 N/A CYS 57.A SG SER 58.A O no hydrogen 3.479 N/A LYS 61.A NZ LYS 61.A O no hydrogen 2.781 N/A LEU 62.A N GLU 59.A O no hydrogen 3.193 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.608 N/A LEU 66.A N PRO 63.A O no hydrogen 3.365 N/A LEU 69.A N LEU 66.A O no hydrogen 2.832 N/A LEU 72.A N PRO 70.A O no hydrogen 2.649 N/A HIS 74.A N SER 93.A O no hydrogen 3.256 N/A HIS 74.A ND1 SER 93.A O no hydrogen 3.159 N/A GLN 75.A NE2 LEU 66.A O no hydrogen 2.769 N/A GLN 75.A NE2 LEU 72.A O no hydrogen 3.533 N/A TYR 76.A N LEU 91.A O no hydrogen 2.816 N/A SER 78.A N VAL 89.A O no hydrogen 2.944 N/A SER 81.A N GLN 111.A O no hydrogen 3.148 N/A SER 87.A OG GLU 112.A O no hydrogen 2.860 N/A SER 87.A OG GLY 113.A O no hydrogen 3.086 N/A VAL 89.A N SER 78.A O no hydrogen 2.849 N/A GLY 90.A N LEU 52.A O no hydrogen 2.997 N/A LEU 91.A N TYR 76.A O no hydrogen 2.892 N/A LEU 92.A N LEU 50.A O no hydrogen 2.773 N/A SER 93.A N HIS 74.A O no hydrogen 3.016 N/A SER 93.A OG GLN 95.A O no hydrogen 2.876 N/A ARG 94.A N ASP 48.A O no hydrogen 2.950 N/A CYS 96.A SG TYR 76.A OH no hydrogen 3.700 N/A LEU 98.A N GLU 119.A O no hydrogen 3.222 N/A SER 101.A N VAL 117.A O no hydrogen 2.946 N/A GLY 103.A N VAL 115.A O no hydrogen 2.784 N/A ILE 104.A N ASP 110.A OD1 no hydrogen 2.941 N/A ASP 106.A N ASP 110.A OD1 no hydrogen 3.465 N/A ASP 106.A N ASP 110.A OD2 no hydrogen 2.806 N/A HIS 109.A N ASP 106.A O no hydrogen 3.149 N/A HIS 109.A ND1 TYR 142.A OH no hydrogen 2.947 N/A ASP 110.A N ASP 106.A O no hydrogen 2.771 N/A ASP 110.A N GLU 107.A O no hydrogen 2.955 N/A GLN 111.A N GLU 107.A O no hydrogen 3.176 N/A GLY 113.A N ASP 110.A O no hydrogen 3.492 N/A ARG 114.A NE GLU 112.A OE1 no hydrogen 3.059 N/A ARG 114.A NH1 TYR 129.A O no hydrogen 2.534 N/A ILE 116.A N THR 127.A O no hydrogen 3.079 N/A VAL 117.A N SER 101.A O no hydrogen 2.771 N/A ALA 118.A N LEU 125.A O no hydrogen 2.484 N/A GLU 119.A N LYS 99.A O no hydrogen 2.762 N/A PHE 120.A N PHE 123.A O no hydrogen 2.949 N/A VAL 124.A N PRO 162.A O no hydrogen 2.639 N/A LEU 125.A N ALA 118.A O no hydrogen 2.794 N/A VAL 126.A N VAL 164.A O no hydrogen 2.778 N/A THR 127.A N ILE 116.A O no hydrogen 2.906 N/A THR 127.A OG1 CYS 166.A O no hydrogen 3.525 N/A ALA 128.A N CYS 166.A O no hydrogen 2.807 N/A TYR 129.A N ARG 114.A O no hydrogen 2.937 N/A VAL 130.A N ASP 168.A O no hydrogen 2.807 N/A GLY 134.A N ASN 132.A OD1 no hydrogen 2.866 N/A LEU 137.A N GLY 134.A O no hydrogen 3.052 N/A VAL 138.A N ARG 135.A O no hydrogen 3.464 N/A ARG 139.A N ALA 133.A O no hydrogen 3.002 N/A ARG 139.A NH2 GLU 112.A OE1 no hydrogen 2.772 N/A ARG 139.A NH2 GLU 112.A OE2 no hydrogen 2.835 N/A LEU 140.A N LEU 137.A O no hydrogen 3.002 N/A TYR 142.A OH HIS 109.A ND1 no hydrogen 2.947 N/A ARG 143.A N ARG 139.A O no hydrogen 2.782 N/A ARG 143.A NE ASP 147.A OD1 no hydrogen 2.904 N/A ARG 143.A NH1 PRO 131.A O no hydrogen 3.039 N/A ARG 143.A NH1 ASN 170.A O no hydrogen 3.329 N/A ARG 143.A NH2 ASN 170.A O no hydrogen 2.754 N/A GLN 144.A N LEU 140.A O no hydrogen 3.270 N/A GLN 144.A NE2 LEU 140.A O no hydrogen 2.947 N/A ARG 145.A N TYR 142.A O no hydrogen 2.625 N/A TRP 146.A N TYR 142.A O no hydrogen 3.234 N/A ASP 147.A N ARG 143.A O no hydrogen 3.031 N/A GLU 148.A N GLN 144.A O no hydrogen 2.841 N/A ALA 149.A N ARG 145.A O no hydrogen 3.166 N/A PHE 150.A N TRP 146.A O no hydrogen 2.528 N/A ARG 151.A N ASP 147.A O no hydrogen 3.023 N/A LYS 152.A N GLU 148.A O no hydrogen 3.425 N/A PHE 153.A N ALA 149.A O no hydrogen 2.845 N/A LEU 154.A N PHE 150.A O no hydrogen 3.021 N/A LYS 155.A N ARG 151.A O no hydrogen 3.103 N/A LEU 157.A N LEU 154.A O no hydrogen 3.120 N/A ALA 158.A N LEU 154.A O no hydrogen 3.085 N/A SER 159.A OG GLY 156.A O no hydrogen 2.660 N/A ARG 160.A N LEU 157.A O no hydrogen 3.397 N/A LYS 161.A NZ GLU 119.A OE1 no hydrogen 2.940 N/A LYS 161.A NZ PHE 120.A O no hydrogen 2.993 N/A LEU 163.A N SER 246.A OG no hydrogen 3.068 N/A VAL 164.A N VAL 124.A O no hydrogen 2.584 N/A LEU 165.A N LEU 244.A O no hydrogen 2.526 N/A CYS 166.A N VAL 126.A O no hydrogen 3.013 N/A CYS 166.A SG VAL 126.A O no hydrogen 3.712 N/A ASN 170.A N ASP 168.A OD2 no hydrogen 3.005 N/A ASN 170.A ND2 VAL 130.A O no hydrogen 2.584 N/A ALA 172.A N GLY 189.A O no hydrogen 2.648 N/A HIS 173.A N TYR 242.A OH no hydrogen 3.163 N/A GLU 174.A N ASP 177.A OD2 no hydrogen 2.840 N/A ASP 177.A N GLU 174.A O no hydrogen 2.718 N/A ARG 179.A N GLY 237.A O no hydrogen 2.981 N/A ARG 179.A NH1 LYS 234.A O no hydrogen 3.533 N/A ASN 184.A ND2 ASN 180.A O no hydrogen 3.408 N/A LYS 185.A N LYS 182.A O no hydrogen 3.419 N/A GLY 189.A N GLU 194.A OE1 no hydrogen 2.665 N/A GLY 189.A N GLU 194.A OE2 no hydrogen 2.975 N/A PHE 190.A N ASN 187.A O no hydrogen 3.330 N/A THR 191.A N GLU 194.A OE1 no hydrogen 2.926 N/A THR 191.A OG1 GLN 193.A OE1 no hydrogen 3.341 N/A THR 191.A OG1 GLU 194.A OE1 no hydrogen 2.845 N/A GLN 193.A N GLN 193.A OE1 no hydrogen 3.270 N/A GLU 194.A N THR 191.A OG1 no hydrogen 3.102 N/A ARG 195.A N THR 191.A O no hydrogen 2.770 N/A GLN 196.A N PRO 192.A O no hydrogen 3.132 N/A GLY 197.A N GLN 193.A O no hydrogen 2.698 N/A PHE 198.A N GLU 194.A O no hydrogen 2.759 N/A GLY 199.A N ARG 195.A O no hydrogen 2.874 N/A GLU 200.A N GLN 196.A O no hydrogen 2.586 N/A LEU 201.A N GLY 197.A O no hydrogen 2.746 N/A LEU 202.A N PHE 198.A O no hydrogen 3.048 N/A GLN 203.A N GLY 199.A O no hydrogen 3.112 N/A ALA 204.A N GLU 200.A O no hydrogen 2.989 N/A VAL 205.A N LEU 201.A O no hydrogen 3.518 N/A LEU 207.A N LEU 202.A O no hydrogen 2.786 N/A ALA 208.A N LEU 245.A O no hydrogen 3.279 N/A SER 210.A N PHE 243.A O no hydrogen 3.159 N/A SER 210.A OG PHE 243.A O no hydrogen 2.884 N/A SER 210.A OG SER 256.A OG no hydrogen 2.767 N/A ARG 212.A N ASP 209.A OD1 no hydrogen 3.084 N/A ARG 212.A NH1 THR 218.A O no hydrogen 3.497 N/A ARG 212.A NH2 ASP 177.A OD1 no hydrogen 2.759 N/A HIS 213.A N ASP 209.A O no hydrogen 2.798 N/A LEU 214.A N SER 210.A O no hydrogen 3.181 N/A LEU 214.A N PHE 211.A O no hydrogen 2.714 N/A TYR 215.A N PHE 211.A O no hydrogen 2.838 N/A TYR 215.A OH ASP 255.A OD1 no hydrogen 2.925 N/A THR 223.A N TRP 238.A O no hydrogen 2.878 N/A THR 223.A OG1 ASP 241.A OD2 no hydrogen 2.803 N/A PHE 224.A N TRP 238.A O no hydrogen 2.794 N/A TRP 225.A N ASP 266.A O no hydrogen 3.127 N/A MET 228.A N THR 226.A OG1 no hydrogen 3.112 N/A ARG 232.A NH2 SER 260.A O no hydrogen 2.875 N/A ARG 232.A NH2 ALA 262.A O no hydrogen 2.582 N/A SER 233.A OG ASN 230.A O no hydrogen 2.793 N/A LYS 234.A N ALA 231.A O no hydrogen 3.086 N/A ASN 235.A N ARG 232.A O no hydrogen 2.853 N/A ASN 235.A ND2 TYR 220.A O no hydrogen 3.270 N/A VAL 236.A N ALA 231.A O no hydrogen 2.966 N/A TRP 238.A N PHE 224.A O no hydrogen 2.646 N/A ARG 239.A N ASP 177.A O no hydrogen 3.102 N/A ARG 239.A NH1 ASP 209.A OD1 no hydrogen 3.236 N/A ARG 239.A NH2 ASP 177.A OD1 no hydrogen 3.474 N/A ARG 239.A NH2 ASP 209.A OD1 no hydrogen 3.388 N/A ARG 239.A NH2 ASP 209.A OD2 no hydrogen 2.885 N/A ASP 241.A N THR 223.A OG1 no hydrogen 3.197 N/A TYR 242.A N GLY 167.A O no hydrogen 3.338 N/A TYR 242.A OH VAL 171.A O no hydrogen 2.624 N/A LEU 244.A N LEU 165.A O no hydrogen 2.708 N/A LEU 245.A N ALA 208.A O no hydrogen 3.389 N/A SER 246.A N LEU 163.A O no hydrogen 2.920 N/A LEU 249.A N SER 246.A O no hydrogen 3.078 N/A LEU 250.A N HIS 247.A O no hydrogen 3.033 N/A ALA 252.A N LEU 249.A O no hydrogen 3.195 N/A LEU 253.A N LEU 250.A O no hydrogen 3.256 N/A CYS 254.A N TYR 273.A O no hydrogen 3.452 N/A CYS 254.A SG ALA 252.A O no hydrogen 3.560 N/A SER 256.A N ASP 255.A OD1 no hydrogen 2.832 N/A SER 256.A OG SER 210.A OG no hydrogen 2.767 N/A LYS 257.A N THR 271.A O no hydrogen 2.987 N/A LYS 257.A NZ ASP 5.A OD1 no hydrogen 2.876 N/A LYS 257.A NZ ASP 5.A OD2 no hydrogen 3.162 N/A LYS 257.A NZ SER 256.A O no hydrogen 3.320 N/A ILE 258.A N ASP 5.A OD1 no hydrogen 3.420 N/A ARG 259.A NH1 ASP 8.A OD1 no hydrogen 2.864 N/A ARG 259.A NH1 ASP 8.A OD2 no hydrogen 3.433 N/A ARG 259.A NH2 GLU 45.A OE1 no hydrogen 3.121 N/A SER 260.A OG ILE 258.A O no hydrogen 3.025 N/A ALA 262.A N ARG 259.A O no hydrogen 3.300 N/A SER 265.A OG ASN 26.A O no hydrogen 2.789 N/A SER 265.A OG HIS 267.A O no hydrogen 2.958 N/A HIS 267.A N SER 265.A OG no hydrogen 3.299 N/A HIS 267.A ND1 ASP 241.A OD2 no hydrogen 3.196 N/A CYS 268.A N THR 223.A O no hydrogen 2.944 N/A CYS 268.A SG THR 223.A O no hydrogen 3.971 N/A CYS 268.A SG ARG 259.A O no hydrogen 3.807 N/A CYS 268.A SG PRO 269.A O no hydrogen 3.418 N/A ILE 270.A N SER 24.A O no hydrogen 2.965 N/A THR 271.A OG1 GLU 45.A OE2 no hydrogen 3.076 N/A LEU 272.A N ILE 22.A O no hydrogen 2.686 N/A TYR 273.A OH ASP 8.A OD1 no hydrogen 2.655 N/A LEU 274.A N LEU 20.A O no hydrogen 2.708 N/A ALA 275.A N ALA 252.A O no hydrogen 3.073 N/A