Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cqe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG THR 4.A OG1 no hydrogen 3.378 N/A ARG 2.A N GLU 76.A OE1 no hydrogen 3.042 N/A ARG 2.A NH2 SER 72.A OG no hydrogen 2.953 N/A TYR 3.A N GLU 76.A OE2 no hydrogen 3.013 N/A TYR 3.A OH GLU 9.A OE2 no hydrogen 2.508 N/A THR 4.A N SER 1.A OG no hydrogen 3.330 N/A THR 4.A OG1 SER 1.A OG no hydrogen 3.378 N/A THR 5.A N SER 1.A O no hydrogen 2.801 N/A GLU 6.A N ARG 2.A O no hydrogen 2.721 N/A PHE 7.A N TYR 3.A O no hydrogen 3.235 N/A HIS 8.A N VAL 25.A O no hydrogen 2.929 N/A LEU 10.A N LYS 23.A O no hydrogen 2.701 N/A GLU 11.A N LYS 23.A O no hydrogen 3.352 N/A ILE 13.A N VAL 21.A O no hydrogen 2.880 N/A GLY 14.A N VAL 21.A O no hydrogen 3.225 N/A GLY 16.A N GLY 19.A O no hydrogen 2.955 N/A SER 20.A N ARG 37.A O no hydrogen 2.859 N/A SER 20.A OG GLY 19.A O no hydrogen 2.817 N/A VAL 21.A N GLY 14.A O no hydrogen 2.747 N/A PHE 22.A N ILE 35.A O no hydrogen 2.947 N/A LYS 23.A N GLU 11.A O no hydrogen 2.948 N/A LYS 23.A NZ TYR 86.A OH no hydrogen 3.434 N/A CYS 24.A N TYR 33.A O no hydrogen 2.957 N/A CYS 24.A SG TYR 3.A OH no hydrogen 3.605 N/A VAL 25.A N HIS 8.A O no hydrogen 3.038 N/A LYS 26.A N CYS 31.A O no hydrogen 2.779 N/A ARG 27.A N GLU 6.A O no hydrogen 2.762 N/A ARG 27.A NE THR 5.A O no hydrogen 3.374 N/A ARG 27.A NH2 THR 4.A O no hydrogen 3.235 N/A GLY 30.A N LYS 26.A O no hydrogen 2.934 N/A CYS 31.A N ASP 29.A OD1 no hydrogen 2.961 N/A CYS 31.A SG TYR 33.A OH no hydrogen 3.596 N/A TYR 33.A N CYS 24.A O no hydrogen 2.675 N/A TYR 33.A OH ASP 29.A OD2 no hydrogen 2.850 N/A ALA 34.A N ASN 84.A O no hydrogen 3.030 N/A ILE 35.A N PHE 22.A O no hydrogen 2.897 N/A LYS 36.A N ILE 82.A O no hydrogen 2.990 N/A ARG 37.A N SER 20.A O no hydrogen 2.678 N/A SER 38.A N MET 80.A O no hydrogen 2.934 N/A LYS 40.A N ASP 78.A O no hydrogen 2.916 N/A LYS 40.A NZ ASP 77.A O no hydrogen 3.445 N/A GLY 44.A N GLU 48.A OE1 no hydrogen 2.181 N/A SER 45.A OG LEU 42.A O no hydrogen 3.108 N/A GLU 48.A N SER 45.A OG no hydrogen 3.342 N/A GLN 49.A N SER 45.A O no hydrogen 3.144 N/A ASN 50.A N VAL 46.A O no hydrogen 3.213 N/A ASN 50.A ND2 GLY 153.A O no hydrogen 3.159 N/A ALA 51.A N ASP 47.A O no hydrogen 2.975 N/A LEU 52.A N GLU 48.A O no hydrogen 2.782 N/A ARG 53.A N GLN 49.A O no hydrogen 2.962 N/A GLU 54.A N ALA 51.A O no hydrogen 2.963 N/A VAL 55.A N ALA 51.A O no hydrogen 3.462 N/A TYR 56.A N LEU 52.A O no hydrogen 2.787 N/A ALA 57.A N ARG 53.A O no hydrogen 2.758 N/A HIS 58.A N GLU 54.A O no hydrogen 2.849 N/A ALA 59.A N VAL 55.A O no hydrogen 2.963 N/A VAL 60.A N ALA 57.A O no hydrogen 3.066 N/A LEU 61.A N ALA 57.A O no hydrogen 3.079 N/A HIS 66.A N HIS 64.A ND1 no hydrogen 2.781 N/A HIS 66.A ND1 PHE 147.A O no hydrogen 2.859 N/A VAL 67.A N HIS 64.A O no hydrogen 3.328 N/A VAL 68.A N ILE 149.A O no hydrogen 3.010 N/A ARG 69.A N GLU 85.A OE1 no hydrogen 2.618 N/A ARG 69.A NE.A TYR 70.A O no hydrogen 3.066 N/A ARG 69.A NH1.A TYR 70.A O no hydrogen 2.802 N/A ARG 69.A NH2.B GLY 62.A O no hydrogen 2.807 N/A PHE 71.A N GLN 83.A O no hydrogen 2.769 N/A SER 72.A N GLN 83.A O no hydrogen 3.209 N/A TRP 74.A N LEU 81.A O no hydrogen 2.909 N/A TRP 74.A NE1 GLU 76.A OE2 no hydrogen 3.058 N/A GLU 76.A N HIS 79.A O no hydrogen 2.930 N/A HIS 79.A N GLU 76.A O no hydrogen 2.719 N/A MET 80.A N SER 38.A O no hydrogen 2.654 N/A LEU 81.A N TRP 74.A O no hydrogen 2.779 N/A ILE 82.A N LYS 36.A O no hydrogen 3.037 N/A GLN 83.A N SER 72.A O no hydrogen 2.691 N/A ASN 84.A N ALA 34.A O no hydrogen 2.859 N/A ASN 84.A ND2 HIS 58.A NE2 no hydrogen 2.936 N/A GLU 85.A N ARG 69.A O no hydrogen 2.777 N/A GLY 89.A N ILE 142.A O no hydrogen 2.811 N/A GLY 90.A N CYS 87.A O no hydrogen 2.921 N/A LEU 92.A N ILE 140.A O no hydrogen 2.726 N/A ALA 93.A N PRO 137.A O no hydrogen 3.087 N/A ASP 94.A N SER 91.A OG no hydrogen 3.170 N/A ALA 95.A N SER 91.A O no hydrogen 3.254 N/A ILE 96.A N LEU 92.A O no hydrogen 2.898 N/A SER 97.A N ALA 93.A O no hydrogen 2.990 N/A SER 97.A OG ALA 93.A O no hydrogen 3.009 N/A GLU 98.A N ASP 94.A O no hydrogen 3.096 N/A ASN 99.A N ALA 95.A O no hydrogen 2.841 N/A TYR 100.A N ILE 96.A O no hydrogen 2.936 N/A TYR 100.A OH GLU 202.A OE1 no hydrogen 3.202 N/A TYR 100.A OH GLU 202.A OE2 no hydrogen 2.546 N/A ARG 101.A N SER 97.A O no hydrogen 3.079 N/A ILE 102.A N GLU 98.A O no hydrogen 3.018 N/A MET 103.A N TYR 100.A O no hydrogen 3.377 N/A SER 104.A N ASN 99.A O no hydrogen 3.148 N/A PHE 106.A N ALA 198.A O no hydrogen 3.367 N/A LYS 107.A N GLU 110.A OE1 no hydrogen 2.763 N/A LEU 111.A N LYS 107.A O no hydrogen 2.868 N/A LYS 112.A N GLU 108.A O no hydrogen 2.919 N/A LYS 112.A NZ VAL 256.A O no hydrogen 3.277 N/A ASP 113.A N ALA 109.A O no hydrogen 3.137 N/A LEU 114.A N GLU 110.A O no hydrogen 2.898 N/A LEU 115.A N LEU 111.A O no hydrogen 2.987 N/A LEU 116.A N LYS 112.A O no hydrogen 2.777 N/A GLN 117.A N ASP 113.A O no hydrogen 3.000 N/A GLN 117.A NE2 ASP 113.A OD1 no hydrogen 2.930 N/A GLN 117.A NE2 VAL 145.A O no hydrogen 3.230 N/A VAL 118.A N LEU 114.A O no hydrogen 3.006 N/A GLY 119.A N LEU 115.A O no hydrogen 2.707 N/A ARG 120.A N LEU 116.A O no hydrogen 2.735 N/A GLY 121.A N GLN 117.A O no hydrogen 2.901 N/A LEU 122.A N VAL 118.A O no hydrogen 2.873 N/A ARG 123.A N GLY 119.A O no hydrogen 2.903 N/A TYR 124.A N ARG 120.A O no hydrogen 3.271 N/A ILE 125.A N GLY 121.A O no hydrogen 3.215 N/A HIS 126.A N LEU 122.A O no hydrogen 2.776 N/A HIS 126.A NE2 ASP 187.A OD2 no hydrogen 2.946 N/A SER 127.A N ARG 123.A O no hydrogen 3.030 N/A SER 127.A N TYR 124.A O no hydrogen 2.679 N/A SER 127.A OG TYR 124.A O no hydrogen 2.600 N/A MET 128.A N TYR 124.A O no hydrogen 2.937 N/A MET 128.A N ILE 125.A O no hydrogen 2.865 N/A SER 129.A N HIS 126.A O no hydrogen 3.198 N/A LEU 130.A N ILE 125.A O no hydrogen 3.198 N/A VAL 131.A N THR 156.A O no hydrogen 2.969 N/A HIS 132.A N ASP 187.A OD2 no hydrogen 2.958 N/A HIS 132.A NE2 GLY 150.A O no hydrogen 3.015 N/A MET 133.A N ASP 187.A OD1 no hydrogen 2.774 N/A ASP 134.A N HIS 132.A ND1 no hydrogen 2.953 N/A LYS 136.A NZ ASP 167.A OD2 no hydrogen 2.716 N/A ASN 139.A N LYS 136.A O no hydrogen 2.860 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.723 N/A ASN 139.A ND2 ASP 134.A OD2 no hydrogen 3.016 N/A ILE 140.A N PRO 137.A O no hydrogen 3.105 N/A PHE 141.A N LYS 148.A O no hydrogen 2.765 N/A ILE 142.A N GLY 90.A O no hydrogen 2.865 N/A SER 143.A N MET 146.A O no hydrogen 2.740 N/A MET 146.A N SER 143.A O no hydrogen 2.954 N/A PHE 147.A N GLN 117.A OE1 no hydrogen 2.620 N/A LYS 148.A N PHE 141.A O no hydrogen 2.712 N/A LYS 148.A NZ SER 65.A O no hydrogen 3.029 N/A LYS 148.A NZ GLU 85.A OE2 no hydrogen 3.443 N/A ILE 149.A N HIS 66.A O no hydrogen 2.800 N/A GLY 150.A N ASN 139.A O no hydrogen 2.817 N/A GLY 153.A N ASP 151.A OD1 no hydrogen 3.227 N/A VAL 155.A N LEU 152.A O no hydrogen 3.065 N/A THR 156.A N VAL 131.A O no hydrogen 3.020 N/A THR 156.A OG1 SER 160.A OG no hydrogen 2.725 N/A ARG 157.A NE SER 129.A O no hydrogen 3.178 N/A ILE 158.A N SER 129.A O no hydrogen 3.001 N/A SER 160.A N ARG 157.A O no hydrogen 2.920 N/A SER 160.A OG THR 156.A OG1 no hydrogen 2.725 N/A SER 160.A OG ARG 157.A O no hydrogen 3.036 N/A ASP 167.A N ASP 134.A OD1 no hydrogen 3.115 N/A ARG 169.A N ASP 167.A OD1 no hydrogen 2.948 N/A ARG 169.A NE ASP 167.A OD1 no hydrogen 2.929 N/A ARG 169.A NH2 ASP 167.A OD1 no hydrogen 3.505 N/A ARG 169.A NH2 ASP 167.A OD2 no hydrogen 2.800 N/A PHE 170.A N ASP 167.A O no hydrogen 2.982 N/A LEU 171.A N SER 168.A O no hydrogen 3.352 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.606 N/A LEU 176.A N ALA 172.A O no hydrogen 3.342 N/A GLN 177.A N ASN 173.A O no hydrogen 2.749 N/A GLU 178.A N VAL 175.A O no hydrogen 2.785 N/A ASN 179.A N GLU 174.A O no hydrogen 2.815 N/A THR 181.A N ASN 179.A OD1 no hydrogen 3.134 N/A THR 181.A OG1 ASN 179.A OD1 no hydrogen 2.721 N/A LYS 185.A N HIS 182.A O no hydrogen 3.186 N/A LYS 185.A NZ PRO 242.A O no hydrogen 3.513 N/A LYS 185.A NZ ARG 245.A O no hydrogen 2.959 N/A ALA 186.A N LEU 183.A O no hydrogen 2.675 N/A ASP 187.A N PRO 184.A O no hydrogen 3.084 N/A ILE 188.A N PRO 184.A O no hydrogen 3.371 N/A PHE 189.A N LYS 185.A O no hydrogen 2.970 N/A ALA 190.A N ALA 186.A O no hydrogen 3.039 N/A LEU 191.A N ASP 187.A O no hydrogen 2.788 N/A ALA 192.A N ILE 188.A O no hydrogen 3.076 N/A LEU 193.A N PHE 189.A O no hydrogen 3.242 N/A THR 194.A N ALA 190.A O no hydrogen 2.941 N/A THR 194.A OG1 ALA 190.A O no hydrogen 2.739 N/A VAL 195.A N LEU 191.A O no hydrogen 2.846 N/A VAL 196.A N ALA 192.A O no hydrogen 2.768 N/A CYS 197.A N LEU 193.A O no hydrogen 2.825 N/A CYS 197.A SG LEU 193.A O no hydrogen 3.417 N/A ALA 198.A N THR 194.A O no hydrogen 2.919 N/A ALA 199.A N VAL 195.A O no hydrogen 2.944 N/A ALA 199.A N VAL 196.A O no hydrogen 3.051 N/A GLY 200.A N CYS 197.A O no hydrogen 3.056 N/A TRP 211.A N GLY 208.A O no hydrogen 2.917 N/A TRP 211.A NE1 SER 168.A O no hydrogen 2.815 N/A HIS 212.A N GLY 208.A O no hydrogen 3.451 N/A GLU 213.A N ASP 209.A O no hydrogen 3.216 N/A ARG 215.A NE TRP 211.A O no hydrogen 3.034 N/A ARG 215.A NH1 LEU 171.A O no hydrogen 2.812 N/A ARG 215.A NH2 TRP 211.A O no hydrogen 3.085 N/A GLN 216.A N HIS 212.A O no hydrogen 2.943 N/A GLN 216.A N GLU 213.A O no hydrogen 2.876 N/A GLY 217.A N ILE 214.A O no hydrogen 2.716 N/A GLN 224.A NE2 PHE 106.A O no hydrogen 2.914 N/A SER 227.A N GLU 108.A OE1 no hydrogen 2.754 N/A SER 227.A OG GLU 108.A OE2 no hydrogen 2.740 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 2.765 N/A PHE 230.A N SER 227.A OG no hydrogen 3.256 N/A THR 231.A N SER 227.A O no hydrogen 2.985 N/A THR 231.A OG1 SER 227.A O no hydrogen 3.335 N/A GLU 232.A N GLN 228.A O no hydrogen 2.727 N/A LEU 233.A N GLU 229.A O no hydrogen 2.852 N/A LEU 234.A N PHE 230.A O no hydrogen 2.942 N/A LYS 235.A N THR 231.A O no hydrogen 2.869 N/A VAL 236.A N GLU 232.A O no hydrogen 2.990 N/A MET 237.A N LEU 233.A O no hydrogen 3.128 N/A MET 237.A N LEU 234.A O no hydrogen 3.081 N/A ILE 238.A N LYS 235.A O no hydrogen 3.116 N/A HIS 239.A N VAL 236.A O no hydrogen 3.363 N/A ASP 241.A N HIS 239.A ND1 no hydrogen 2.768 N/A GLU 243.A N ASP 241.A OD1 no hydrogen 2.804 N/A ARG 244.A N ASP 241.A O no hydrogen 2.681 N/A ARG 245.A N PRO 242.A O no hydrogen 3.209 N/A ARG 245.A NE HIS 239.A O no hydrogen 2.723 N/A ARG 245.A NH1 GLU 174.A OE2 no hydrogen 2.934 N/A ARG 245.A NH1 LYS 185.A O no hydrogen 3.246 N/A ARG 245.A NH2 GLU 174.A OE1 no hydrogen 3.269 N/A ARG 245.A NH2 HIS 239.A O no hydrogen 2.893 N/A ALA 250.A N SER 247.A OG no hydrogen 3.062 N/A LEU 251.A N SER 247.A O no hydrogen 2.817 N/A VAL 252.A N ALA 248.A O no hydrogen 2.954 N/A LYS 253.A N MET 249.A O no hydrogen 3.255 N/A LYS 253.A N ALA 250.A O no hydrogen 2.990 N/A HIS 254.A N LEU 251.A O no hydrogen 3.302 N/A VAL 256.A N HIS 254.A ND1 no hydrogen 3.309 N/A LEU 257.A N HIS 254.A O no hydrogen 2.806 N/A LEU 258.A N SER 255.A O no hydrogen 2.754 N/A