Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gr0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N LEU 1.A O no hydrogen 3.098 N/A LYS 5.A N GLY 2.A O no hydrogen 3.061 N/A ARG 7.A N GLU 4.A O no hydrogen 3.168 N/A ARG 7.A NH2 GLN 23.A OE1 no hydrogen 2.887 N/A PHE 8.A N GLU 4.A O no hydrogen 3.275 N/A GLN 9.A N ALA 21.A O no hydrogen 3.140 N/A LEU 11.A N TYR 19.A O no hydrogen 2.761 N/A GLY 13.A N MET 17.A O no hydrogen 2.791 N/A ARG 14.A N PRO 108.A O no hydrogen 2.898 N/A ARG 14.A NH1 ARG 104.A O no hydrogen 3.271 N/A ARG 14.A NH2 ARG 104.A O no hydrogen 2.771 N/A ARG 14.A NH2 ALA 110.A O no hydrogen 2.669 N/A LYS 16.A N GLY 13.A O no hydrogen 3.053 N/A MET 17.A N ASP 15.A OD2 no hydrogen 3.105 N/A LEU 18.A N ASN 43.A O no hydrogen 3.124 N/A TYR 19.A N LEU 11.A O no hydrogen 2.833 N/A TYR 19.A OH ASP 15.A OD1 no hydrogen 2.416 N/A VAL 20.A N ARG 45.A O no hydrogen 2.719 N/A ALA 21.A N GLN 9.A O no hydrogen 2.786 N/A ALA 22.A N ILE 47.A O no hydrogen 2.848 N/A ASP 27.A N ASN 24.A OD1 no hydrogen 2.732 N/A THR 28.A N ASN 24.A O no hydrogen 3.131 N/A THR 28.A OG1 ASN 24.A O no hydrogen 2.674 N/A LEU 29.A N GLU 25.A O no hydrogen 2.882 N/A TRP 30.A N ARG 26.A O no hydrogen 3.107 N/A ALA 31.A N ASP 27.A O no hydrogen 2.867 N/A ARG 32.A N THR 28.A O no hydrogen 2.942 N/A ARG 32.A NH1 VAL 46.A O no hydrogen 2.773 N/A ARG 32.A NH1 GLU 51.A OE1 no hydrogen 3.468 N/A ARG 32.A NH1 GLU 51.A OE2 no hydrogen 2.759 N/A ARG 32.A NH2 GLU 51.A OE1 no hydrogen 2.751 N/A ARG 32.A NH2 GLU 51.A OE2 no hydrogen 3.546 N/A GLN 33.A N LEU 29.A O no hydrogen 2.996 N/A VAL 34.A N TRP 30.A O no hydrogen 3.132 N/A LEU 35.A N ALA 31.A O no hydrogen 3.125 N/A ALA 36.A N ARG 32.A O no hydrogen 2.760 N/A ARG 37.A N VAL 34.A O no hydrogen 3.162 N/A GLY 38.A N VAL 34.A O no hydrogen 3.139 N/A TYR 40.A N LEU 35.A O no hydrogen 3.105 N/A ASN 43.A N TYR 40.A O no hydrogen 2.849 N/A ALA 44.A N TYR 40.A O no hydrogen 2.699 N/A ARG 45.A N LEU 18.A O no hydrogen 2.889 N/A ARG 45.A NH2 TYR 19.A OH no hydrogen 2.831 N/A ILE 47.A N VAL 20.A O no hydrogen 2.816 N/A ASN 48.A ND2 THR 28.A OG1 no hydrogen 2.979 N/A GLU 51.A N ASN 48.A OD1 no hydrogen 2.833 N/A GLU 52.A N ASN 48.A O no hydrogen 2.995 N/A ASN 53.A N GLU 49.A O no hydrogen 2.906 N/A ASN 53.A ND2 GLU 49.A O no hydrogen 2.972 N/A ASN 53.A ND2 ILE 72.A O no hydrogen 2.865 N/A LYS 54.A N ASN 50.A O no hydrogen 3.095 N/A ARG 55.A N GLU 51.A O no hydrogen 2.930 N/A ARG 55.A NE GLU 52.A OE1 no hydrogen 2.882 N/A ARG 55.A NH1 GLU 52.A OE2 no hydrogen 2.717 N/A ARG 55.A NH1 LEU 106.A O no hydrogen 2.809 N/A ARG 55.A NH2 LEU 106.A O no hydrogen 3.076 N/A ILE 56.A N GLU 52.A O no hydrogen 3.020 N/A SER 57.A N ASN 53.A O no hydrogen 3.075 N/A SER 57.A OG ASN 53.A O no hydrogen 3.038 N/A SER 57.A OG TYR 69.A OH no hydrogen 2.602 N/A ILE 58.A N LYS 54.A O no hydrogen 3.111 N/A TRP 59.A N ARG 55.A O no hydrogen 3.418 N/A LEU 60.A N ILE 56.A O no hydrogen 2.883 N/A ASP 61.A N SER 57.A O no hydrogen 2.782 N/A THR 62.A N TRP 59.A O no hydrogen 3.257 N/A TYR 63.A N TRP 59.A O no hydrogen 2.913 N/A TYR 64.A N LEU 60.A O no hydrogen 2.786 N/A LEU 67.A N TYR 64.A O no hydrogen 3.112 N/A TYR 69.A OH SER 57.A OG no hydrogen 2.602 N/A TYR 70.A N TRP 83.A O no hydrogen 3.004 N/A TYR 70.A OH ASP 120.A OD1 no hydrogen 2.483 N/A ARG 71.A NE ARG 172.A O no hydrogen 3.277 N/A ILE 72.A N ASN 53.A OD1 no hydrogen 2.952 N/A HIS 73.A N VAL 81.A O no hydrogen 2.780 N/A HIS 73.A NE2 THR 173.A O no hydrogen 2.500 N/A PHE 74.A N GLU 49.A OE1 no hydrogen 3.444 N/A LYS 79.A N GLU 76.A O no hydrogen 2.769 N/A VAL 81.A N HIS 73.A O no hydrogen 2.856 N/A PHE 82.A N ASN 114.A O no hydrogen 2.771 N/A TRP 83.A N ARG 71.A O no hydrogen 2.838 N/A LEU 84.A N THR 116.A O no hydrogen 2.729 N/A SER 85.A N ALA 68.A O no hydrogen 3.036 N/A SER 85.A OG ASP 120.A OD1 no hydrogen 2.643 N/A SER 85.A OG ASP 120.A OD2 no hydrogen 3.025 N/A ARG 86.A N MET 118.A O no hydrogen 2.826 N/A ARG 88.A N SER 85.A OG no hydrogen 3.002 N/A ARG 88.A NE SER 85.A OG no hydrogen 3.190 N/A ARG 88.A NE ASP 120.A OD2 no hydrogen 2.797 N/A ARG 88.A NH2 TYR 70.A OH no hydrogen 3.467 N/A ARG 88.A NH2 ASP 120.A OD1 no hydrogen 3.184 N/A ASN 89.A ND2 MET 91.A O no hydrogen 2.863 N/A MET 91.A N ASN 89.A OD1 no hydrogen 3.242 N/A SER 92.A N GLU 95.A OE2 no hydrogen 3.123 N/A GLU 95.A N SER 92.A OG no hydrogen 3.275 N/A LEU 96.A N SER 92.A O no hydrogen 2.905 N/A GLU 97.A N LYS 93.A O no hydrogen 2.842 N/A VAL 98.A N LYS 94.A O no hydrogen 3.009 N/A LEU 99.A N GLU 95.A O no hydrogen 3.071 N/A SER 100.A N LEU 96.A O no hydrogen 2.971 N/A SER 100.A OG VAL 113.A O no hydrogen 3.032 N/A GLN 101.A N GLU 97.A O no hydrogen 2.969 N/A LYS 102.A N VAL 98.A O no hydrogen 3.037 N/A LYS 102.A NZ TYR 64.A OH no hydrogen 3.489 N/A LEU 103.A N LEU 99.A O no hydrogen 2.832 N/A ARG 104.A N SER 100.A O no hydrogen 2.966 N/A ARG 104.A NE ASP 111.A O no hydrogen 2.893 N/A ALA 105.A N GLN 101.A O no hydrogen 3.227 N/A LEU 106.A N LYS 102.A O no hydrogen 3.341 N/A LEU 106.A N LEU 103.A O no hydrogen 3.174 N/A MET 107.A N ARG 104.A O no hydrogen 2.993 N/A TYR 109.A OH GLU 52.A OE2 no hydrogen 2.652 N/A ALA 110.A N MET 107.A O no hydrogen 2.921 N/A ASP 111.A N ARG 78.A O no hydrogen 2.606 N/A ASN 114.A N PRO 80.A O no hydrogen 3.034 N/A THR 116.A N PHE 82.A O no hydrogen 2.868 N/A THR 116.A OG1 ASN 114.A OD1 no hydrogen 2.695 N/A MET 118.A N LEU 84.A O no hydrogen 2.579 N/A VAL 121.A N ASP 119.A OD1 no hydrogen 2.976 N/A THR 122.A N ASP 119.A OD1 no hydrogen 3.091 N/A ALA 123.A N ASP 119.A O no hydrogen 2.873 N/A ALA 124.A N ASP 120.A O no hydrogen 3.065 N/A GLY 125.A N VAL 121.A O no hydrogen 2.936 N/A GLN 126.A N THR 122.A O no hydrogen 3.005 N/A GLU 128.A N ALA 124.A O no hydrogen 3.026 N/A ALA 129.A N GLY 125.A O no hydrogen 2.894 N/A GLY 130.A N GLN 126.A O no hydrogen 3.265 N/A LEU 131.A N ALA 127.A O no hydrogen 3.279 N/A LYS 132.A N GLU 128.A O no hydrogen 2.891 N/A GLN 133.A N ALA 129.A O no hydrogen 2.773 N/A GLN 134.A N LEU 131.A O no hydrogen 3.355 N/A GLN 134.A NE2 ARG 162.A O no hydrogen 3.583 N/A ALA 135.A N LYS 132.A O no hydrogen 2.989 N/A LEU 136.A N LEU 131.A O no hydrogen 3.195 N/A TYR 138.A OH GLU 128.A OE1 no hydrogen 2.476 N/A SER 139.A N VAL 150.A O no hydrogen 2.944 N/A ARG 140.A NE ASN 142.A OD1 no hydrogen 2.735 N/A ARG 140.A NH1 ASN 142.A OD1 no hydrogen 3.207 N/A ARG 140.A NH2 GLU 128.A OE2 no hydrogen 2.899 N/A ARG 141.A N THR 148.A O no hydrogen 2.741 N/A HIS 143.A N GLY 146.A O no hydrogen 2.862 N/A HIS 143.A NE2 THR 148.A OG1 no hydrogen 2.477 N/A VAL 147.A N TYR 178.A O no hydrogen 3.213 N/A THR 148.A N ARG 141.A O no hydrogen 2.922 N/A THR 148.A OG1 HIS 143.A NE2 no hydrogen 2.477 N/A PHE 149.A N GLN 180.A O no hydrogen 2.910 N/A VAL 150.A N SER 139.A O no hydrogen 2.856 N/A ILE 151.A N ALA 182.A O no hydrogen 2.778 N/A GLN 152.A N PRO 137.A O no hydrogen 3.064 N/A GLY 153.A N GLU 184.A OE2 no hydrogen 2.992 N/A ASP 156.A N GLU 159.A OE1 no hydrogen 3.256 N/A GLU 159.A N ASP 156.A OD1 no hydrogen 2.797 N/A ILE 160.A N ASP 156.A O no hydrogen 2.806 N/A LEU 161.A N ASP 157.A O no hydrogen 3.087 N/A ARG 162.A N VAL 158.A O no hydrogen 2.911 N/A ALA 163.A N GLU 159.A O no hydrogen 3.087 N/A ARG 164.A N ILE 160.A O no hydrogen 3.046 N/A GLN 165.A N LEU 161.A O no hydrogen 2.979 N/A PHE 166.A N ARG 162.A O no hydrogen 3.160 N/A VAL 167.A N ALA 163.A O no hydrogen 3.064 N/A ASP 168.A N ARG 164.A O no hydrogen 2.904 N/A SER 169.A N GLN 165.A O no hydrogen 3.085 N/A TYR 170.A N PHE 166.A O no hydrogen 2.869 N/A TYR 170.A OH ALA 123.A O no hydrogen 2.502 N/A TYR 171.A N VAL 167.A O no hydrogen 3.037 N/A ARG 172.A N ASP 168.A O no hydrogen 3.080 N/A THR 173.A N SER 169.A O no hydrogen 3.130 N/A THR 173.A OG1 SER 169.A O no hydrogen 3.499 N/A TRP 174.A N TYR 170.A O no hydrogen 2.779 N/A TRP 174.A NE1 GLN 126.A OE1 no hydrogen 3.016 N/A GLY 175.A N TYR 171.A O no hydrogen 2.723 N/A GLN 180.A N VAL 147.A O no hydrogen 2.910 N/A GLN 180.A NE2 GLY 176.A O no hydrogen 2.953 N/A PHE 181.A N TYR 171.A OH no hydrogen 2.971 N/A ALA 182.A N PHE 149.A O no hydrogen 2.910 N/A GLU 184.A N ILE 151.A O no hydrogen 2.879 N/A