Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4roc_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N GLU 170.A OE1 no hydrogen 3.391 N/A SER 3.A OG GLU 170.A OE2 no hydrogen 3.220 N/A ILE 5.A N SER 3.A OG no hydrogen 3.093 N/A GLN 8.A N SER 105.A O no hydrogen 2.816 N/A GLN 10.A N VAL 103.A O no hydrogen 2.768 N/A GLN 10.A NE2 SER 105.A OG no hydrogen 2.852 N/A VAL 13.A N ASN 101.A O no hydrogen 2.835 N/A SER 14.A N CYS 65.A O no hydrogen 2.880 N/A SER 14.A OG SER 74.A OG no hydrogen 2.709 N/A THR 15.A N LYS 98.A O no hydrogen 2.898 N/A VAL 16.A N MET 63.A O no hydrogen 2.950 N/A ASN 17.A N LEU 95.A O no hydrogen 2.804 N/A LEU 18.A N GLY 61.A O no hydrogen 2.812 N/A GLY 19.A N ASN 17.A OD1 no hydrogen 3.000 N/A CYS 20.A SG LEU 18.A O no hydrogen 3.843 N/A CYS 20.A SG LYS 21.A O no hydrogen 4.018 N/A LYS 21.A NZ SER 60.A O no hydrogen 3.514 N/A LEU 22.A N SER 59.A O no hydrogen 2.924 N/A THR 26.A OG1 ASP 23.A OD2 no hydrogen 2.735 N/A ILE 27.A N ASP 23.A O no hydrogen 3.247 N/A ALA 28.A N LEU 24.A O no hydrogen 2.923 N/A LEU 29.A N LYS 25.A O no hydrogen 2.966 N/A ARG 30.A N THR 26.A O no hydrogen 2.903 N/A ARG 30.A N ILE 27.A O no hydrogen 3.291 N/A ALA 31.A N ILE 27.A O no hydrogen 2.886 N/A ASN 33.A ND2 ARG 47.A O no hydrogen 2.821 N/A GLU 35.A N ILE 45.A O no hydrogen 2.794 N/A ARG 40.A N ASN 37.A O no hydrogen 2.902 N/A PHE 41.A N ASN 37.A O no hydrogen 2.893 N/A VAL 44.A N ILE 57.A O no hydrogen 2.852 N/A ILE 45.A N GLU 35.A O no hydrogen 2.793 N/A MET 46.A N ALA 55.A O no hydrogen 2.819 N/A ARG 47.A N ASN 33.A O no hydrogen 3.082 N/A ILE 48.A N TYR 81.A OH no hydrogen 3.194 N/A THR 53.A OG1 PRO 51.A O no hydrogen 3.130 N/A THR 53.A OG1 TYR 81.A OH no hydrogen 2.702 N/A THR 54.A N THR 66.A O no hydrogen 3.060 N/A ALA 55.A N MET 46.A O no hydrogen 2.746 N/A LEU 56.A N VAL 64.A O no hydrogen 2.906 N/A ILE 57.A N VAL 44.A O no hydrogen 2.806 N/A PHE 58.A N LYS 62.A O no hydrogen 3.091 N/A GLY 61.A N PHE 58.A O no hydrogen 3.031 N/A MET 63.A N VAL 16.A O no hydrogen 2.887 N/A VAL 64.A N LEU 56.A O no hydrogen 3.059 N/A CYS 65.A N SER 14.A O no hydrogen 2.768 N/A CYS 65.A SG SER 74.A O no hydrogen 3.826 N/A THR 66.A N THR 54.A O no hydrogen 2.799 N/A THR 66.A OG1 THR 54.A O no hydrogen 2.949 N/A GLY 67.A N ASN 11.A OD1 no hydrogen 2.915 N/A LYS 69.A NZ GLN 10.A O no hydrogen 2.777 N/A LYS 69.A NZ GLN 10.A OE1 no hydrogen 3.176 N/A SER 70.A OG GLU 72.A OE1 no hydrogen 3.516 N/A GLU 71.A N GLU 71.A OE1 no hydrogen 2.802 N/A GLN 73.A N SER 70.A OG no hydrogen 3.078 N/A SER 74.A N SER 70.A O no hydrogen 2.955 N/A SER 74.A OG SER 14.A OG no hydrogen 2.709 N/A ARG 75.A N GLU 71.A O no hydrogen 3.201 N/A LEU 76.A N GLU 72.A O no hydrogen 2.951 N/A ALA 77.A N GLN 73.A O no hydrogen 2.929 N/A ALA 78.A N SER 74.A O no hydrogen 3.019 N/A ARG 79.A N ARG 75.A O no hydrogen 2.990 N/A LYS 80.A N LEU 76.A O no hydrogen 3.087 N/A LYS 80.A NZ GLU 50.A O no hydrogen 2.827 N/A TYR 81.A N ALA 77.A O no hydrogen 3.003 N/A TYR 81.A OH THR 53.A OG1 no hydrogen 2.702 N/A ALA 82.A N ALA 78.A O no hydrogen 3.137 N/A ARG 83.A N ARG 79.A O no hydrogen 2.969 N/A VAL 84.A N LYS 80.A O no hydrogen 2.959 N/A VAL 85.A N TYR 81.A O no hydrogen 3.070 N/A GLN 86.A N ALA 82.A O no hydrogen 2.997 N/A GLN 86.A NE2 ALA 92.A O no hydrogen 2.818 N/A LYS 87.A N ARG 83.A O no hydrogen 3.118 N/A LEU 88.A N VAL 84.A O no hydrogen 3.137 N/A LEU 88.A N VAL 85.A O no hydrogen 3.193 N/A GLY 89.A N GLN 86.A O no hydrogen 3.003 N/A ALA 92.A N PHE 90.A O no hydrogen 2.795 N/A LYS 93.A N LEU 18.A O no hydrogen 2.903 N/A LEU 95.A N ASN 17.A O no hydrogen 2.935 N/A LYS 98.A N THR 15.A O no hydrogen 3.000 N/A GLN 100.A N VAL 13.A O no hydrogen 2.730 N/A GLN 100.A NE2 THR 15.A OG1 no hydrogen 2.883 N/A ASN 101.A N VAL 13.A O no hydrogen 3.210 N/A VAL 103.A N ASN 11.A O no hydrogen 2.899 N/A GLY 104.A N LEU 156.A O no hydrogen 2.798 N/A SER 105.A N GLN 8.A O no hydrogen 2.930 N/A CYS 106.A N VAL 154.A O no hydrogen 3.158 N/A VAL 108.A N GLY 152.A O no hydrogen 3.062 N/A LYS 109.A N ASP 107.A OD1 no hydrogen 2.855 N/A ILE 112.A N VAL 150.A O no hydrogen 2.925 N/A ARG 113.A NH1 GLU 115.A OE2 no hydrogen 3.283 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.866 N/A GLY 116.A N ARG 113.A O no hydrogen 2.932 N/A LEU 117.A N ARG 113.A O no hydrogen 3.039 N/A VAL 118.A N LEU 114.A O no hydrogen 2.962 N/A LEU 119.A N GLY 116.A O no hydrogen 3.042 N/A THR 120.A N GLY 116.A O no hydrogen 3.037 N/A THR 120.A OG1 GLY 116.A O no hydrogen 3.562 N/A THR 120.A OG1 HIS 121.A ND1 no hydrogen 2.906 N/A HIS 121.A N LEU 117.A O no hydrogen 2.898 N/A HIS 121.A ND1 THR 120.A OG1 no hydrogen 2.906 N/A PHE 124.A N HIS 121.A O no hydrogen 3.014 N/A SER 125.A N GLN 122.A O no hydrogen 3.253 N/A SER 125.A OG HIS 121.A O no hydrogen 2.779 N/A SER 126.A N ILE 136.A O no hydrogen 2.963 N/A LEU 131.A N GLU 128.A O no hydrogen 2.859 N/A PHE 132.A N GLU 128.A O no hydrogen 2.948 N/A LEU 135.A N ILE 148.A O no hydrogen 2.809 N/A ILE 136.A N SER 126.A O no hydrogen 2.871 N/A TYR 137.A N LEU 146.A O no hydrogen 2.777 N/A ARG 138.A N PHE 124.A O no hydrogen 2.802 N/A MET 139.A N ILE 144.A O no hydrogen 2.894 N/A ILE 144.A N MET 139.A O no hydrogen 3.280 N/A VAL 145.A N THR 157.A O no hydrogen 3.085 N/A LEU 146.A N TYR 137.A O no hydrogen 2.773 N/A LEU 147.A N VAL 155.A O no hydrogen 2.799 N/A ILE 148.A N LEU 135.A O no hydrogen 2.798 N/A PHE 149.A N LYS 153.A O no hydrogen 3.100 N/A GLY 152.A N PHE 149.A O no hydrogen 3.047 N/A LYS 153.A N SER 151.A OG no hydrogen 3.425 N/A LYS 153.A NZ ASP 107.A OD2 no hydrogen 3.557 N/A VAL 154.A N CYS 106.A O no hydrogen 2.889 N/A VAL 155.A N LEU 147.A O no hydrogen 2.974 N/A LEU 156.A N GLY 104.A O no hydrogen 2.857 N/A THR 157.A N VAL 145.A O no hydrogen 2.972 N/A THR 157.A OG1 ASN 101.A OD1 no hydrogen 3.561 N/A GLY 158.A N ASN 101.A OD1 no hydrogen 3.020 N/A LYS 160.A N GLU 164.A OE1 no hydrogen 2.818 N/A LYS 160.A NZ GLN 100.A O no hydrogen 3.016 N/A ARG 162.A NE GLU 71.A OE1 no hydrogen 3.392 N/A ARG 162.A NE GLU 71.A OE2 no hydrogen 3.273 N/A ARG 162.A NH1 GLU 71.A OE1 no hydrogen 2.804 N/A ARG 162.A NH2 TYR 166.A OH no hydrogen 3.006 N/A GLU 164.A N VAL 161.A O no hydrogen 3.060 N/A ILE 165.A N ARG 162.A O no hydrogen 3.067 N/A TYR 166.A N ARG 162.A O no hydrogen 3.338 N/A GLU 167.A N ALA 163.A O no hydrogen 2.805 N/A ALA 168.A N GLU 164.A O no hydrogen 3.108 N/A PHE 169.A N ILE 165.A O no hydrogen 3.083 N/A GLU 170.A N TYR 166.A O no hydrogen 3.013 N/A ASN 171.A N GLU 167.A O no hydrogen 3.080 N/A ILE 172.A N ALA 168.A O no hydrogen 3.014 N/A TYR 173.A N PHE 169.A O no hydrogen 3.095 N/A LEU 176.A N ILE 172.A O no hydrogen 2.938 N/A LYS 177.A N TYR 173.A O no hydrogen 2.868 N/A LYS 177.A NZ TYR 173.A OH no hydrogen 3.492 N/A GLY 178.A N PRO 174.A O no hydrogen 2.895 N/A