Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3spr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N GLY 1.A O no hydrogen 3.088 N/A MET 6.A N MET 3.A O no hydrogen 3.075 N/A ARG 8.A NH1 GLU 45.A OE1 no hydrogen 3.260 N/A ARG 8.A NH1 GLU 45.A OE2 no hydrogen 2.717 N/A ARG 8.A NH2 GLU 45.A OE1 no hydrogen 2.643 N/A LEU 11.A N GLU 7.A O no hydrogen 2.796 N/A ILE 12.A N ARG 8.A O no hydrogen 2.956 N/A GLN 13.A N ALA 9.A O no hydrogen 2.773 N/A GLN 13.A NE2.B ALA 9.A O no hydrogen 3.251 N/A LYS 14.A N SER 10.A O no hydrogen 2.675 N/A ALA 15.A N LEU 11.A O no hydrogen 2.703 N/A LYS 16.A N ILE 12.A O no hydrogen 2.956 N/A LYS 16.A NZ GLU 44.A OE1.B no hydrogen 3.027 N/A LYS 16.A NZ GLU 44.A OE2.A no hydrogen 3.370 N/A LYS 16.A NZ GLU 44.A OE2.B no hydrogen 3.441 N/A LEU 17.A N GLN 13.A O no hydrogen 3.110 N/A ALA 18.A N LYS 14.A O no hydrogen 2.852 N/A GLU 19.A N ALA 15.A O no hydrogen 2.838 N/A GLN 20.A N LYS 16.A O no hydrogen 2.985 N/A GLN 20.A NE2 LYS 16.A O no hydrogen 3.506 N/A ALA 21.A N LEU 17.A O no hydrogen 2.832 N/A GLU 22.A N GLU 19.A O no hydrogen 2.715 N/A ARG 23.A N ALA 18.A O no hydrogen 2.598 N/A ARG 23.A NE ASP 26.A OD2 no hydrogen 2.812 N/A ARG 23.A NH2 ASP 26.A OD2 no hydrogen 2.652 N/A MET 27.A N ARG 23.A O no hydrogen 2.854 N/A ALA 28.A N TYR 24.A O no hydrogen 2.740 N/A ALA 29.A N GLU 25.A O no hydrogen 2.859 N/A PHE 30.A N ASP 26.A O no hydrogen 2.793 N/A MET 31.A N MET 27.A O no hydrogen 2.918 N/A LYS 32.A N ALA 28.A O no hydrogen 2.813 N/A LYS 32.A NZ GLU 36.A OE1 no hydrogen 3.430 N/A LYS 32.A NZ GLU 36.A OE2 no hydrogen 2.493 N/A GLY 33.A N ALA 29.A O no hydrogen 2.893 N/A ALA 34.A N PHE 30.A O no hydrogen 2.704 N/A VAL 35.A N MET 31.A O no hydrogen 2.660 N/A GLU 36.A N LYS 32.A O no hydrogen 2.790 N/A LYS 37.A N ALA 34.A O no hydrogen 3.079 N/A LYS 37.A NZ MET 3.A O no hydrogen 3.198 N/A LYS 37.A NZ MET 6.A O no hydrogen 2.587 N/A GLY 38.A N VAL 35.A O no hydrogen 2.809 N/A SER 42.A N GLU 45.A OE1 no hydrogen 2.761 N/A GLU 45.A N SER 42.A OG no hydrogen 3.145 N/A ARG 46.A N SER 42.A O no hydrogen 2.865 N/A ASN 47.A N VAL 43.A O no hydrogen 2.969 N/A LEU 48.A N GLU 44.A O no hydrogen 2.774 N/A LEU 49.A N GLU 45.A O no hydrogen 2.851 N/A SER 50.A N ARG 46.A O no hydrogen 2.827 N/A SER 50.A OG.A ARG 46.A O no hydrogen 3.494 N/A SER 50.A OG.A ASN 47.A O no hydrogen 2.887 N/A VAL 51.A N ASN 47.A O no hydrogen 2.873 N/A ALA 52.A N LEU 48.A O no hydrogen 2.877 N/A TYR 53.A N LEU 49.A O no hydrogen 3.006 N/A LYS 54.A N SER 50.A O no hydrogen 2.779 N/A ASN 55.A N VAL 51.A O no hydrogen 2.957 N/A ASN 55.A ND2 VAL 51.A O no hydrogen 2.805 N/A VAL 56.A N ALA 52.A O no hydrogen 2.964 N/A VAL 57.A N TYR 53.A O no hydrogen 2.728 N/A GLY 58.A N LYS 54.A O no hydrogen 2.756 N/A GLY 59.A N ASN 55.A O no hydrogen 3.048 N/A GLN 60.A N VAL 56.A O no hydrogen 3.105 N/A GLN 60.A NE2 GLU 96.A OE2.B no hydrogen 2.760 N/A ARG 61.A N VAL 57.A O no hydrogen 2.677 N/A ARG 61.A NE GLU 138.A OE1 no hydrogen 2.761 N/A ARG 61.A NH2 GLU 138.A OE1 no hydrogen 3.444 N/A ARG 61.A NH2 GLU 138.A OE2 no hydrogen 2.691 N/A ALA 62.A N GLY 58.A O no hydrogen 2.940 N/A ALA 63.A N GLY 59.A O no hydrogen 2.989 N/A TRP 64.A N GLN 60.A O no hydrogen 2.692 N/A TRP 64.A NE1 GLU 94.A OE1 no hydrogen 2.797 N/A ARG 65.A N ARG 61.A O no hydrogen 2.798 N/A VAL 66.A N ALA 62.A O no hydrogen 3.006 N/A LEU 67.A N ALA 63.A O no hydrogen 2.885 N/A SER 68.A N TRP 64.A O no hydrogen 2.597 N/A SER 69.A N ARG 65.A O no hydrogen 2.856 N/A SER 69.A OG.C ARG 65.A O no hydrogen 3.222 N/A SER 69.A OG.C VAL 66.A O no hydrogen 2.741 N/A ILE 70.A N VAL 66.A O no hydrogen 2.958 N/A GLU 71.A N LEU 67.A O no hydrogen 2.822 N/A GLN 72.A N SER 68.A O no hydrogen 2.814 N/A LYS 73.A N SER 69.A O no hydrogen 2.920 N/A SER 74.A N ILE 70.A O no hydrogen 2.929 N/A SER 74.A OG GLU 71.A O no hydrogen 2.579 N/A ASN 75.A N GLN 72.A O no hydrogen 2.801 N/A GLU 76.A N LYS 73.A O no hydrogen 3.106 N/A SER 79.A N GLU 76.A O no hydrogen 3.070 N/A SER 79.A OG LYS 73.A O no hydrogen 2.510 N/A GLY 83.A N GLU 81.A OE2 no hydrogen 2.869 N/A GLU 85.A N GLU 85.A OE1 no hydrogen 2.784 N/A ARG 87.A NH1.A GLU 91.A OE2.A no hydrogen 3.133 N/A GLU 88.A N PRO 84.A O no hydrogen 2.709 N/A TYR 89.A N GLU 85.A O no hydrogen 2.757 N/A ARG 90.A N VAL 86.A O no hydrogen 2.792 N/A ARG 90.A NE GLU 71.A OE1 no hydrogen 2.598 N/A ARG 90.A NH1 GLU 91.A OE2.B no hydrogen 2.751 N/A ARG 90.A NH1 GLU 94.A OE1 no hydrogen 2.867 N/A ARG 90.A NH2 GLU 71.A OE1 no hydrogen 3.240 N/A ARG 90.A NH2 GLU 71.A OE2 no hydrogen 2.624 N/A GLU 91.A N ARG 87.A O no hydrogen 2.723 N/A LYS 92.A N GLU 88.A O no hydrogen 2.779 N/A VAL 93.A N TYR 89.A O no hydrogen 2.804 N/A GLU 94.A N ARG 90.A O no hydrogen 2.666 N/A THR 95.A N GLU 91.A O no hydrogen 2.785 N/A THR 95.A OG1.A GLU 91.A O no hydrogen 2.498 N/A THR 95.A OG1.B GLU 91.A O no hydrogen 3.143 N/A THR 95.A OG1.B LYS 92.A O no hydrogen 3.018 N/A GLU 96.A N LYS 92.A O no hydrogen 3.072 N/A LEU 97.A N VAL 93.A O no hydrogen 2.814 N/A GLN 98.A N GLU 94.A O no hydrogen 2.750 N/A GLY 99.A N THR 95.A O no hydrogen 2.783 N/A VAL 100.A N GLU 96.A O no hydrogen 2.880 N/A CYS 101.A N LEU 97.A O no hydrogen 2.845 N/A CYS 101.A SG LEU 97.A O no hydrogen 3.435 N/A CYS 101.A SG TYR 132.A O no hydrogen 3.636 N/A ASP 102.A N GLN 98.A O no hydrogen 2.679 N/A THR 103.A N GLY 99.A O no hydrogen 2.840 N/A THR 103.A OG1 GLY 99.A O no hydrogen 2.819 N/A VAL 104.A N VAL 100.A O no hydrogen 2.825 N/A LEU 105.A N CYS 101.A O no hydrogen 2.860 N/A GLY 106.A N ASP 102.A O no hydrogen 2.776 N/A LEU 107.A N THR 103.A O no hydrogen 2.881 N/A LEU 108.A N VAL 104.A O no hydrogen 2.779 N/A ASP 109.A N LEU 105.A O no hydrogen 2.767 N/A SER 110.A N GLY 106.A O no hydrogen 2.604 N/A SER 110.A OG GLY 106.A O no hydrogen 3.342 N/A LEU 112.A N LEU 107.A O no hydrogen 3.182 N/A ILE 113.A N LEU 108.A O no hydrogen 2.780 N/A LYS 114.A NZ HIS 111.A ND1 no hydrogen 3.090 N/A GLU 115.A N HIS 111.A O no hydrogen 3.262 N/A ALA 116.A N ILE 113.A O no hydrogen 2.915 N/A SER 121.A OG ASP 118.A O no hydrogen 2.809 N/A ARG 122.A N ASP 118.A O no hydrogen 2.777 N/A ARG 122.A NH1 ALA 116.A O no hydrogen 3.171 N/A ARG 122.A NH2 GLU 158.A OE2 no hydrogen 3.471 N/A VAL 123.A N ALA 119.A O no hydrogen 2.725 N/A PHE 124.A N GLU 120.A O no hydrogen 3.258 N/A TYR 125.A N SER 121.A O no hydrogen 2.902 N/A LEU 126.A N ARG 122.A O no hydrogen 2.858 N/A LYS 127.A N VAL 123.A O no hydrogen 2.744 N/A LYS 127.A NZ ASP 131.A OD2 no hydrogen 2.843 N/A MET 128.A N PHE 124.A O no hydrogen 2.973 N/A LYS 129.A N TYR 125.A O no hydrogen 2.828 N/A LYS 129.A NZ ASP 109.A OD1.B no hydrogen 3.050 N/A GLY 130.A N LEU 126.A O no hydrogen 2.723 N/A ASP 131.A N LYS 127.A O no hydrogen 2.668 N/A TYR 132.A N MET 128.A O no hydrogen 2.852 N/A TYR 133.A N LYS 129.A O no hydrogen 2.911 N/A ARG 134.A N GLY 130.A O no hydrogen 2.728 N/A ARG 134.A NE TYR 156.A OH no hydrogen 2.909 N/A ARG 134.A NH2 ASP 131.A OD1 no hydrogen 3.245 N/A ARG 134.A NH2 TYR 156.A OH no hydrogen 3.554 N/A TYR 135.A N ASP 131.A O no hydrogen 2.730 N/A LEU 136.A N TYR 132.A O no hydrogen 2.990 N/A ALA 137.A N TYR 133.A O no hydrogen 2.685 N/A GLU 138.A N ARG 134.A O no hydrogen 2.825 N/A GLU 138.A N TYR 135.A O no hydrogen 3.159 N/A VAL 139.A N LEU 136.A O no hydrogen 3.102 N/A ALA 140.A N ALA 137.A O no hydrogen 3.172 N/A LYS 145.A N GLY 142.A O no hydrogen 3.427 N/A LYS 145.A NZ ALA 140.A O no hydrogen 3.324 N/A ARG 147.A NE ASP 144.A OD2 no hydrogen 3.190 N/A ILE 148.A N ASP 144.A O no hydrogen 2.812 N/A ILE 149.A N LYS 145.A O no hydrogen 2.882 N/A ASP 150.A N LYS 146.A O no hydrogen 2.800 N/A SER 151.A N ARG 147.A O no hydrogen 2.768 N/A SER 151.A OG ARG 147.A O no hydrogen 3.080 N/A ALA 152.A N ILE 148.A O no hydrogen 2.828 N/A ARG 153.A N ILE 149.A O no hydrogen 2.733 N/A ARG 153.A NE.A ASP 150.A OD1.B no hydrogen 2.656 N/A ARG 153.A NH2.A ASP 150.A OD1.B no hydrogen 3.103 N/A ARG 153.A NH2.A ASP 150.A OD2.B no hydrogen 3.019 N/A SER 154.A N ASP 150.A O no hydrogen 2.653 N/A ALA 155.A N SER 151.A O no hydrogen 2.936 N/A TYR 156.A N ALA 152.A O no hydrogen 2.881 N/A TYR 156.A OH ASP 131.A OD1 no hydrogen 2.421 N/A GLN 157.A N ARG 153.A O no hydrogen 2.809 N/A GLN 157.A NE2 ASP 161.A OD1 no hydrogen 2.627 N/A GLU 158.A N SER 154.A O no hydrogen 3.011 N/A ALA 159.A N ALA 155.A O no hydrogen 2.982 N/A MET 160.A N TYR 156.A O no hydrogen 2.615 N/A ASP 161.A N GLN 157.A O no hydrogen 2.685 N/A ILE 162.A N GLU 158.A O no hydrogen 3.006 N/A SER 163.A N ALA 159.A O no hydrogen 2.896 N/A SER 163.A OG ALA 159.A O no hydrogen 3.109 N/A SER 163.A OG MET 160.A O no hydrogen 3.021 N/A LYS 164.A N MET 160.A O no hydrogen 2.851 N/A LYS 165.A N ASP 161.A O no hydrogen 3.096 N/A GLU 166.A N ILE 162.A O no hydrogen 2.680 N/A GLU 166.A N SER 163.A O no hydrogen 3.304 N/A MET 167.A N SER 163.A O no hydrogen 2.770 N/A THR 170.A OG1 ASP 209.A OD2 no hydrogen 2.747 N/A HIS 171.A N PRO 168.A O no hydrogen 2.806 N/A ILE 173.A N HIS 171.A ND1 no hydrogen 3.105 N/A ARG 174.A NH1 MET 167.A O no hydrogen 2.757 N/A LEU 175.A N HIS 171.A O no hydrogen 2.825 N/A GLY 176.A N PRO 172.A O no hydrogen 2.703 N/A LEU 177.A N ILE 173.A O no hydrogen 2.807 N/A ALA 178.A N ARG 174.A O no hydrogen 2.877 N/A LEU 179.A N LEU 175.A O no hydrogen 2.803 N/A ASN 180.A N GLY 176.A O no hydrogen 2.917 N/A ASN 180.A ND2 ASP 131.A OD1 no hydrogen 2.771 N/A ASN 180.A ND2 ASP 131.A OD2 no hydrogen 3.165 N/A PHE 181.A N LEU 177.A O no hydrogen 2.736 N/A SER 182.A N ALA 178.A O no hydrogen 2.774 N/A SER 182.A OG ALA 195.A O no hydrogen 2.641 N/A VAL 183.A N LEU 179.A O no hydrogen 3.003 N/A PHE 184.A N ASN 180.A O no hydrogen 2.746 N/A HIS 185.A N PHE 181.A O no hydrogen 2.798 N/A TYR 186.A N SER 182.A O no hydrogen 2.762 N/A GLU 187.A N VAL 183.A O no hydrogen 2.766 N/A ILE 188.A N PHE 184.A O no hydrogen 2.826 N/A ALA 189.A N PHE 184.A O no hydrogen 2.882 N/A SER 191.A N HIS 185.A O no hydrogen 2.662 N/A SER 191.A OG ALA 189.A O no hydrogen 2.822 N/A ALA 195.A N SER 191.A O no hydrogen 2.875 N/A ILE 196.A N PRO 192.A O no hydrogen 2.714 N/A SER 197.A N GLU 193.A O no hydrogen 2.935 N/A SER 197.A OG.A GLU 193.A O no hydrogen 3.175 N/A LEU 198.A N GLU 194.A O no hydrogen 2.735 N/A ALA 199.A N ALA 195.A O no hydrogen 2.937 N/A LYS 200.A N ILE 196.A O no hydrogen 2.798 N/A LYS 200.A NZ.B ASP 204.A OD2 no hydrogen 2.363 N/A THR 201.A N SER 197.A O no hydrogen 2.852 N/A THR 201.A OG1.A SER 197.A O no hydrogen 2.785 N/A THR 201.A OG1.B SER 197.A O no hydrogen 2.683 N/A THR 201.A OG1.B LEU 198.A O no hydrogen 3.122 N/A THR 202.A N LEU 198.A O no hydrogen 2.756 N/A THR 202.A OG1 LEU 198.A O no hydrogen 2.706 N/A PHE 203.A N ALA 199.A O no hydrogen 2.884 N/A ASP 204.A N LYS 200.A O no hydrogen 2.794 N/A GLU 205.A N THR 201.A O no hydrogen 2.873 N/A ALA 206.A N THR 202.A O no hydrogen 2.921 N/A MET 207.A N PHE 203.A O no hydrogen 2.779 N/A ALA 208.A N ASP 204.A O no hydrogen 3.139 N/A ASP 209.A N ALA 206.A O no hydrogen 2.907 N/A LEU 210.A N MET 207.A O no hydrogen 3.122 N/A THR 212.A N ASP 209.A O no hydrogen 3.057 N/A THR 212.A OG1 ASP 209.A O no hydrogen 2.699 N/A LEU 213.A N LEU 210.A O no hydrogen 2.855 N/A SER 214.A OG SER 217.A OG no hydrogen 3.312 N/A SER 217.A N SER 214.A OG no hydrogen 3.224 N/A SER 217.A OG SER 214.A OG no hydrogen 3.312 N/A TYR 218.A N SER 214.A O no hydrogen 2.797 N/A LYS 219.A N GLU 215.A O no hydrogen 3.003 N/A ASP 220.A N ASP 216.A O no hydrogen 3.168 N/A SER 221.A N SER 217.A O no hydrogen 2.961 N/A SER 221.A OG THR 170.A O no hydrogen 2.494 N/A SER 221.A OG SER 217.A O no hydrogen 3.205 N/A THR 222.A N TYR 218.A O no hydrogen 2.970 N/A THR 222.A OG1 TYR 218.A O no hydrogen 3.137 N/A THR 222.A OG1 LYS 219.A O no hydrogen 3.242 N/A LEU 223.A N LYS 219.A O no hydrogen 3.191 N/A MET 225.A N SER 221.A O no hydrogen 2.730 N/A GLN 226.A N THR 222.A O no hydrogen 2.726 N/A GLN 226.A NE2 ASP 230.A OD1 no hydrogen 2.895 N/A LEU 227.A N LEU 223.A O no hydrogen 3.372 N/A LEU 228.A N ILE 224.A O no hydrogen 2.976 N/A ARG 229.A N MET 225.A O no hydrogen 2.817 N/A ASP 230.A N GLN 226.A O no hydrogen 2.674 N/A ASN 231.A N LEU 227.A O no hydrogen 2.981 N/A LEU 232.A N LEU 228.A O no hydrogen 2.769 N/A THR 233.A N ARG 229.A O no hydrogen 2.831 N/A THR 233.A OG1 ARG 229.A O no hydrogen 3.018 N/A LEU 234.A N ASP 230.A O no hydrogen 2.916 N/A TRP 235.A N ASN 231.A O no hydrogen 2.890 N/A TRP 235.A N LEU 232.A O no hydrogen 3.197 N/A THR 236.A OG1 LEU 232.A O no hydrogen 2.451 N/A