A0A087WZ58_HUMAN Loading...

MDM4 regulator of p53

AlphaFold DB , UniProt , Accession A0A087WZ58, Species HUMAN (Homo sapiens, Human), Gene MDM4, Length 392 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.4Very low37.7Very low229 Ų229137.4 Ų137.4100%1.12883%0.825SS**  0110.20-66.4158.7173.200106
2T37.1Very low37.6Very low119 Ų119137.2 Ų137.273%0.7383%0.825SS**  55.4121.769.964.20000110.9F4T2-F4 HydrophobicContact CG2-CE2 4.4Å
3S39.8Very low37.8Very low110 Ų110136.2 Ų136.277%0.76983%0.828SS**  cis-129.5144.629.343.30000112.9
4F37.2Very low37.6Very low180 Ų180137.3 Ų137.379%0.78983%0.827SS**  78.8129.858.9-80.8-63000116.7T2T2-F4 HydrophobicContact CG2-CE2 4.4Å
5S37.1Very low37.7Very low106 Ų106135.9 Ų135.974%0.74183%0.826SS**  trans103.4106.4145.7-59.10000121.3
6T43.5Very low37.6Very low152 Ų152133.1 Ų133.193%0.93382%0.822SS**  trans-149.3151.513613.10000109.4
7S41.1Very low37.5Very low113 Ų113133.2 Ų133.279%0.7983%0.827SS**  trans-142173.8-167.4-59.40000112.3
8A39.1Very low37.4Very low92 Ų92138.1 Ų138.176%0.7683%0.828SS**  trans80.2149.516900000116.7
9Q37.4Very low37.2Very low176 Ų176137.5 Ų137.582%0.82282%0.818SS**  cis-169.4157.9-30.2-119.5172.69.300109.2
10C31.7Very low37Very low110 Ų110136.4 Ų136.474%0.74382%0.818SS**  trans56.3136.2160.8-59.70000118.4
11S36.2Very low38Very low124 Ų124136 Ų13687%0.86782%0.819SS**  -163.4178.658.6-58.90000112.9
12T36.5Very low37.7Very low135 Ų135128.4 Ų128.483%0.82880%0.799SS**  trans-116.2143.6-164.350.90000115.3
13S40Very low37.6Very low124 Ų124131.2 Ų131.287%0.86780%0.804SS**  trans-180164.2144.7490000111
14D36.1Very low37.3Very low152 Ų152132 Ų13281%0.81380%0.798SS**  cis-161.9-174.3-45.6-162.10.7000107.9
15S38.4Very low37.1Very low116 Ų116129.5 Ų129.581%0.81179%0.793SS**  trans90.5133.1177.578.40000116.1
16A35.8Very low36.9Very low92 Ų92131.8 Ų131.876%0.7679%0.792SS**  trans-142.5165.5-17100000110.9
17C35.9Very low36.4Very low135 Ų135129.6 Ų129.691%0.91277%0.774SS**  trans-145.7147151.6-94.50000109.5
18R36.3Very low36.1Very low220 Ų220132.1 Ų132.183%0.8377%0.773SS**  trans-146.2144.1-175-102.1-165.2178.7-136.26.5111.5
19I32.6Very low35.9Very low127 Ų127133.9 Ų133.965%0.65178%0.78SS**  trans68.4100.8142.3-65.4179.1000117.9
20S33.6Very low35.7Very low115 Ų115133.1 Ų133.180%0.80478%0.778SS**  67.5169.1111.4-78.20000121.8
21P58.5Low35.8Very low129 Ų129135.3 Ų135.384%0.83878%0.783SS**  trans-114177.9-145.543.6-38000116.8
22G27.6Very low35.8Very low69 Ų69136.6 Ų136.671%0.71178%0.778SS**  trans-166.7104.1168.400000117
23Q36.3Very low36.6Very low178 Ų178135.5 Ų135.583%0.83277%0.774SS**  46.4149.5119-108.9-174.2-3000125.5
24I32.4Very low36.2Very low126 Ų126135.5 Ų135.565%0.64677%0.773SS**  trans96.1117.3141.4-72.4159.7000121.6
25N32.8Very low36.2Very low129 Ų129136.1 Ų136.169%0.6977%0.772SS**  trans57.3164.1146.2-65.619.9000119.6
26Q33.3Very low36Very low153 Ų153138.2 Ų138.272%0.71577%0.774SS**  cis-169173.4-5.6-117175.9-71.400108.1
27D32.4Very low35.9Very low106 Ų106140.5 Ų140.557%0.56777%0.769SS**  cis-165.9-172.8-8.8-152.2-61.7000108.9
28H35.2Very low35.7Very low167 Ų167140.5 Ų140.577%0.77376%0.759SS**  trans72.6115.1154.3-53.4-21.4000122.4
29S34Very low35.5Very low128 Ų128137.9 Ų137.990%0.89575%0.753SS**  -176.3170.9105.1-159.60000112.4
30M33.7Very low35.5Very low160 Ų160140.4 Ų140.479%0.78876%0.762SS**  trans-101.4151.4-167.1-63.2-72.3178.100115.1
31D34.4Very low35.4Very low156 Ų156140.2 Ų140.283%0.83476%0.761SS**  -176.5171.4107.9-102.3-36.7000113.4
32I36.8Very low34.1Very low151 Ų151138.6 Ų138.677%0.77476%0.758SS**  trans-147.5-174.2-167.96.4172.6000110.8
33P51.4Low34.3Very low113 Ų113144.1 Ų144.173%0.73477%0.766SS**  cis-123.7-178-49.638.5-24.7000112.3
34S33.2Very low34.1Very low123 Ų123144.4 Ų144.486%0.8677%0.767SS**  trans-143.6153.2142.968.70000111.1
35Q34.9Very low33.9Very low166 Ų166142.9 Ų142.978%0.77677%0.768SS**  trans-97154.6-173-56.6171.8-93.300111.5
36D34.7Very low33.7Very low160 Ų160141.7 Ų141.786%0.85677%0.769SS**  -154.8170.9107.6-135.1-31.9000112.5
37Q33.6Very low33.5Very low140 Ų140140.8 Ų140.865%0.65478%0.775SS**  trans-113.5154.1-166.7-56.8178.449.500114.5
38L30.8Very low33.3Very low134 Ų134141.2 Ų141.270%0.70279%0.786SS**  165.7136.7108.8-91.9150000114.8
39K33.4Very low33.1Very low165 Ų165144.3 Ų144.372%0.71779%0.791SS**  trans64.6112.6155.6-71.1162.2-179.8171.60117.8
40Q31.7Very low33.1Very low180 Ų180146.8 Ų146.884%0.84179%0.785SS**  74.2132.675.3-73.4174-15.900113
41S32.6Very low33Very low111 Ų111149.2 Ų149.278%0.77679%0.786SS**  cis-157.3142.917.5530000116.2
42A30Very low32.8Very low95 Ų95146.9 Ų146.979%0.78578%0.777SS**  trans57.594.3140.400000121.7
43E33.3Very low32.6Very low185 Ų185144.9 Ų144.986%0.86477%0.772SS**  7.7153.8101-74.9167-157.900119.5
44E31.1Very low31.8Very low184 Ų184147.5 Ų147.586%0.8677%0.774SS**  cis-162.6-148.9-22.1-142.7-172.6-156.600109.7
45S28.1Very low31.6Very low95 Ų95149.4 Ų149.466%0.66478%0.775SS**  trans-106169.4-16177.90000118
46S30Very low31.4Very low103 Ų103148.4 Ų148.472%0.7278%0.775SS**  trans96.9114.7148.2800000123
47T28.6Very low31.3Very low135 Ų135148.1 Ų148.183%0.82877%0.772SS**  trans27132138.758.20000123.8
48S28.3Very low31.9Very low114 Ų114146.6 Ų146.680%0.79777%0.774SS**  174.1156.3112.6-159.80000116.8
49R31.3Very low31.9Very low232 Ų232146.4 Ų146.488%0.87578%0.779SS**  trans4891.1152.9-83.6178.5169.5162.2-2.4124.9
50K32.4Very low31.8Very low180 Ų180146.3 Ų146.378%0.78379%0.785SS**  41124.1105.2-160.9170.6-167.9168.90123.3
51R33Very low32.1Very low212 Ų212142.8 Ų142.880%0.878%0.778SS**  trans73.1147.9160.5-88.8-163.9-71.1-152.52117.9
52T30.8Very low31.8Very low107 Ų107143.9 Ų143.966%0.65678%0.78SS**  cis-133.7-153.81-20.20000109.3
53T32.5Very low31.9Very low108 Ų108144 Ų14466%0.66378%0.775SS**  cis-158133.241.90000106.1
54E33.8Very low31.9Very low168 Ų168142.6 Ų142.679%0.78577%0.769SS**  80.1117.591-72.6178.2-179.400117
55D29.7Very low32Very low163 Ų163141.6 Ų141.687%0.87276%0.764SS**  trans168.9131.5160.6-89.5-17.6000105
56D30.6Very low32.2Very low146 Ų146146.2 Ų146.278%0.78177%0.772SS**  cis-153.2172.9-9.8-156.9-9.9000108.8
57I32.3Very low32Very low153 Ų153146.7 Ų146.779%0.78577%0.774SS**  trans-129.8-174.7-176.812.7173.3000111.1
58P46.6Very low32.2Very low109 Ų109147.1 Ų147.171%0.70877%0.77SS**  cis-134.3-177.7-0.834.2-12.5000116.4
59T29.2Very low32.3Very low129 Ų129149.9 Ų149.979%0.79177%0.77SS**  137.8133.6129.7-51.70000115.1
60L32.1Very low32.3Very low163 Ų163143.9 Ų143.985%0.85376%0.763SS**  trans-108.3159.1172.3-69.7168.8000110.2
61P37Very low32.6Very low107 Ų107145.9 Ų145.970%0.69577%0.766SS**  -156.2157.893.740.2-21.1000119.2
62T28.1Very low32.6Very low133 Ų133144.2 Ų144.282%0.81677%0.767SS**  trans69.1141142.647.20000124.9
63S31.2Very low32.7Very low98 Ų98145.9 Ų145.969%0.68577%0.772SS**  trans76.2134.1146.9-156.80000117.9
64E32.4Very low33.1Very low155 Ų155148.9 Ų148.972%0.72478%0.779SS**  cis-161.8-176.6-12.3-124.5162.6-106.500113.1
65H33.2Very low33.2Very low164 Ų164147.7 Ų147.776%0.75978%0.777SS**  trans88.197165.3-53.7-54.3000120.8
66K32.5Very low33.6Very low191 Ų191146.9 Ų146.983%0.8377%0.772SS**  trans47.6127.7140.5-66.7-175.2174.7-1790120.6
67C25.4Very low33.8Very low113 Ų113146.8 Ų146.876%0.76477%0.77SS**  72.2136.252.7-60.30000113.6
68I34.9Very low33.9Very low144 Ų144148 Ų14874%0.73877%0.773SS**  cis-162.5147.16.2-132.6162.8000112.6
69H30.1Very low33.2Very low172 Ų172149.6 Ų149.680%0.79678%0.776SS**  trans38.6167.6145.3-87.1-113.8000122.7
70S30.1Very low33.4Very low106 Ų106151.6 Ų151.674%0.74178%0.78SS**  cis-140.6169.610.450.30000114.1
71R39Very low33.4Very low222 Ų222148 Ų14884%0.83877%0.774SS**  trans-104.2-169.6161.6-92.1-174.5167-157-3.1109.5
72E34.1Very low33.5Very low178 Ų178151.3 Ų151.383%0.83278%0.78SS**  trans88.6139169.7-62.1149.2-139.200114.2
73D32.6Very low33.7Very low142 Ų142152.7 Ų152.776%0.75978%0.783SS**  cis-164.4-156.7-24.9-151.2-24.9000107.1
74E40.4Very low33.9Very low171 Ų171154.9 Ų154.980%0.79978%0.782SS**  trans102.8114.9166.1-56.3-62.8158.300116.3
75D36.5Very low34Very low142 Ų142154.2 Ų154.276%0.75979%0.789SS**  trans-78.3171.7169.5-79.5-54.2000112.2
76L38.4Very low34Very low146 Ų146150.6 Ų150.676%0.76478%0.782SS**  158123.4119.4-80.3169.8000112.3
77I34.6Very low34.1Very low144 Ų144153.2 Ų153.274%0.73879%0.787SS**  trans49.2121.5137.5-52.2177.4000117
78E34.6Very low34.5Very low178 Ų178154.3 Ų154.383%0.83278%0.784SS**  cis-157.9178.949.9-150.4158.417100113.9
79N31.8Very low34.5Very low144 Ų144155.3 Ų155.377%0.7779%0.791SS**  trans-90.4148.4173.8-57.3-97.7000111.1
80L32.8Very low34.9Very low171 Ų171154.1 Ų154.190%0.89579%0.79SS**  177.6150.2121.1-100.1161.5000115.4
81A32.7Very low35Very low87 Ų87152.6 Ų152.672%0.71979%0.79SS**  trans69.5144.3149.900000121.3
82Q37.9Very low34.8Very low177 Ų177151.4 Ų151.483%0.82779%0.792SS**  trans-63.4159.8173.3-58.3137-105.300112.5
83D33.5Very low35.5Very low162 Ų162152.2 Ų152.287%0.86680%0.796SS**  trans-125.1152.7143.8-160.63000109.4
84E35.2Very low36.1Very low143 Ų143151.6 Ų151.667%0.66879%0.788SS**  trans-98.5164.9-178.1-62.6-161.5150.700112
85T33.5Very low36.3Very low141 Ų141152 Ų15287%0.86578%0.782SS**  trans-166.788.1131.611.80000109.8R87T85-R87 PolarHBondContact O-N 2.86Å
86S32.7Very low36.7Very low89 Ų89151.9 Ų151.962%0.62278%0.782SS**  trans-71.1125166.759.80000109.4L88S86-L88 PolarHBondContact O-N 3.3Å
87R35Very low37.3Very low246 Ų246149.7 Ų149.793%0.92877%0.774SS**  trans-75.592.9178.1-72.6-179.564.8118.70.4109.8T85 D89T85-R87 PolarHBondContact O-N 2.86Å; R87-D89 PolarHBondContact O-N 3.2Å
88L34.1Very low38Very low135 Ų135146.2 Ų146.271%0.70777%0.767SS**  trans-67.6120.8171.5-66.7175.5000110.4S86 L90S86-L88 PolarHBondContact O-N 3.3Å; L88-L90 HydrophobicContact CB-CD1 4.35Å; L88-L90 HydrophobicContact CB-CG 4.26Å; L88-L90 PolarHBondContact O-N 3.37Å
89D35Very low38.7Very low166 Ų166142.1 Ų142.189%0.88877%0.773SS**  trans-83.2104.7167.2-173.234.4000108.7R87R87-D89 PolarHBondContact O-N 3.2Å
90L39Very low39.8Very low147 Ų147139.1 Ų139.177%0.7776%0.756SS**  trans-126.3125.6-179.1-73173.3000109.2L88L88-L90 HydrophobicContact CB-CD1 4.35Å; L88-L90 HydrophobicContact CB-CG 4.26Å; L88-L90 PolarHBondContact O-N 3.37Å
91G32.3Very low41Very low73 Ų73133.9 Ų133.975%0.75373%0.733SS**  trans13260.7168.100000116.1
92F34.5Very low42.2Very low197 Ų197140.3 Ų140.386%0.86474%0.738SS**  trans-126.952.1149.3-131.1-82.1000110.4
93E48.9Very low43.4Very low195 Ų195139.9 Ų139.991%0.91173%0.729SS**  trans-101.578.5171.6-177.2155.8-158.200109.1
94E46Very low44.3Very low129 Ų129137.7 Ų137.760%0.60371%0.712SS**  trans-147.9158.2169.3-155.1177.6-157.700109.1
95W43.8Very low45.3Very low180 Ų180136.7 Ų136.768%0.68271%0.711SS**  trans73.836.4176.1-42.7101.8000118V97W95-V97 HydrophobicContact CE3-CB 4.46Å; W95-V97 HydrophobicContact CE3-CG2 4.28Å
96D45.3Very low45.8Very low139 Ų139133 Ų13374%0.74370%0.701SS**  trans-93.744.2149.6-144.4-11.4000108.8R345D96-R345 IonicContact OD2-NH2 2.72Å; D96-R345 PolarHBondContact OD2-NH2 3.32Å
97V50.3Low46.4Very low101 Ų101135.7 Ų135.761%0.61271%0.708SS**  trans-99.5113-167.5177.50000111.6W95W95-V97 HydrophobicContact CE3-CB 4.46Å; W95-V97 HydrophobicContact CE3-CG2 4.28Å
98A49.6Very low46.9Very low70 Ų70130.9 Ų130.958%0.57970%0.7SS**  trans62.9128174.200000116.4L100A98-L100 HydrophobicContact CB-CD1 3.85Å; A98-L100 HydrophobicContact CB-CG 3.88Å; A98-L100 PolarHBondContact O-N 3.43Å
99G48.3Very low47.5Very low93 Ų93135.8 Ų135.896%0.95971%0.709SS**  trans-73.255.417400000113.3
100L55.8Low47.8Very low81 Ų81132.7 Ų132.742%0.42470%0.701SS.*  trans-77.9139.9-179.2-69.8162000110.5A98 F104A98-L100 HydrophobicContact CB-CD1 3.85Å; A98-L100 HydrophobicContact CB-CG 3.88Å; A98-L100 PolarHBondContact O-N 3.43Å; L100-F104 HydrophobicContact CB-CB 4.2Å; L100-F104 HydrophobicContact CB-CD1 4.37Å; L100-F104 HydrophobicContact CB-CG 4.34Å; L100-F104 HydrophobicContact CD1-CD1 3.78Å; L100-F104 HydrophobicContact CD1-CE1 3.87Å; L100-F104 HydrophobicContact CD1-CG 4.43Å; L100-F104 HydrophobicContact CD2-CD1 4.43Å; L100-F104 HydrophobicContact CD2-CD2 4.39Å; L100-F104 HydrophobicContact CD2-CG 4.33Å; L100-F104 HydrophobicContact CG-CD1 4.42Å
101P58.3Low47.8Very low61 Ų61132.4 Ų132.440%0.39670%0.7SS.*  trans-57.5150.1176.2-26.936000113W103 F104P101-W103 HydrophobicContact CB-CD2 4.08Å; P101-W103 HydrophobicContact CB-CG 4.19Å; P101-W103 HydrophobicContact CB-CZ2 4Å; P101-W103 VanDerWaalsContact CB-NE1 3.29Å; P101-W103 HydrophobicContact CG-CZ2 3.88Å; P101-W103 PolarHBondContact O-N 3.45Å; P101-F104 VanDerWaalsContact O-CB 3.27Å; P101-F104 WeakPolarHBondContact O-CB 3.26Å; P101-F104 PolarHBondContact O-N 3.22Å
102W56.4Low48Very low221 Ų221139.3 Ų139.384%0.83771%0.705SS**Hα-helixtrans-54-29.6-175.962.9-93.5000114.4F104W102-F104 VanDerWaalsContact C-N 3.25Å; W102-F104 PolarHBondContact O-N 3.47Å
103W64.4Low48.2Very low169 Ų169136.3 Ų136.364%0.6470%0.703SS**Hα-helixtrans-69.9-17.1177.252.6-105.6000114P101P101-W103 HydrophobicContact CB-CD2 4.08Å; P101-W103 HydrophobicContact CB-CG 4.19Å; P101-W103 HydrophobicContact CB-CZ2 4Å; P101-W103 VanDerWaalsContact CB-NE1 3.29Å; P101-W103 HydrophobicContact CG-CZ2 3.88Å; P101-W103 PolarHBondContact O-N 3.45Å
104F52.2Low47.7Very low116 Ų116132.7 Ų132.751%0.50970%0.696SS.*Hα-helixtrans-76.9-35.3178.1-161.7-86.1000112.3L100 P101 W102 G106L100-F104 HydrophobicContact CB-CB 4.2Å; L100-F104 HydrophobicContact CB-CD1 4.37Å; L100-F104 HydrophobicContact CB-CG 4.34Å; L100-F104 HydrophobicContact CD1-CD1 3.78Å; L100-F104 HydrophobicContact CD1-CE1 3.87Å; L100-F104 HydrophobicContact CD1-CG 4.43Å; L100-F104 HydrophobicContact CD2-CD1 4.43Å; L100-F104 HydrophobicContact CD2-CD2 4.39Å; L100-F104 HydrophobicContact CD2-CG 4.33Å; L100-F104 HydrophobicContact CG-CD1 4.42Å; P101-F104 VanDerWaalsContact O-CB 3.27Å; P101-F104 WeakPolarHBondContact O-CB 3.26Å; P101-F104 PolarHBondContact O-N 3.22Å; W102-F104 VanDerWaalsContact C-N 3.25Å; W102-F104 PolarHBondContact O-N 3.47Å; F104-G106 VanDerWaalsContact C-N 3.3Å; F104-G106 PolarHBondContact O-N 2.91Å
105L55.3Low47.2Very low121 Ų121137.3 Ų137.363%0.63471%0.708SS**Hα-helixtrans-72.4-19.1-176.1-70170.7000113.9N107L105-N107 PolarHBondContact O-N 3.32Å
106G44.1Very low46.9Very low64 Ų64134.1 Ų134.166%0.6671%0.713SS**G310 helixtrans-61.6-25.9-179.100000114.3F104F104-G106 VanDerWaalsContact C-N 3.3Å; F104-G106 PolarHBondContact O-N 2.91Å
107N46.2Very low46.5Very low145 Ų145134.1 Ų134.178%0.77571%0.713SS**G310 helixtrans-88.8-10.2-170.4-137.311000114.4L105L105-N107 PolarHBondContact O-N 3.32Å
108L46.3Very low45.8Very low145 Ų145133.2 Ų133.276%0.75973%0.725SS**G310 helixtrans-81.4-16.4-175.3-147.977000113.6S110L108-S110 VanDerWaalsContact C-N 3.31Å; L108-S110 PolarHBondContact O-N 2.96Å
109R45.9Very low45.2Very low238 Ų238135.7 Ų135.790%0.89874%0.738SS**G310 helixtrans-83.14.5-169-149.4-177.4-180-164.6-1.1115.1
110S40.9Very low45.1Very low101 Ų101138 Ų13871%0.70673%0.733SS**G310 helixtrans-88.5-18-170.4-151.10000115.3L108L108-S110 VanDerWaalsContact C-N 3.31Å; L108-S110 PolarHBondContact O-N 2.96Å
111N38.3Very low44.3Very low141 Ų141140 Ų14075%0.75474%0.744SS**SBendtrans-124.544.7-165.8-71.5-62.8000114.9
112Y37Very low43.7Very low218 Ų218145.1 Ų145.186%0.85577%0.768SS**  trans-132.287.4165.5-81.4-77.7000111.2P114Y112-P114 WeakPolarHBondContact O-CD 3.34Å
113T38.9Very low42.8Very low134 Ų134142.1 Ų142.182%0.82276%0.763SS**  trans-83.4117.4158.940.40000108.9R115T113-R115 PolarHBondContact O-N 2.85Å; T113-R115 VanDerWaalsContact O-N 3.09Å
114P39.4Very low41.7Very low120 Ų120139.8 Ų139.878%0.77977%0.767SS**  trans-65.3112.6173.1-19.933.4000109.5Y112 S116Y112-P114 WeakPolarHBondContact O-CD 3.34Å; P114-S116 VanDerWaalsContact C-N 3.29Å; P114-S116 PolarHBondContact O-N 3.08Å
115R34.6Very low41.2Very low226 Ų226142.4 Ų142.485%0.85379%0.787SS**  trans-74.980.8178-175.5-179.6173.2173.10.2110.2T113 N117T113-R115 PolarHBondContact O-N 2.85Å; T113-R115 VanDerWaalsContact O-N 3.09Å; R115-N117 PolarHBondContact O-N 3.28Å
116S37.2Very low40.5Very low112 Ų112144.5 Ų144.578%0.78379%0.793SS**  trans-68.1125168.346.50000110.2P114P114-S116 VanDerWaalsContact C-N 3.29Å; P114-S116 PolarHBondContact O-N 3.08Å
117N37.3Very low40.5Very low140 Ų140148.6 Ų148.675%0.74980%0.8SS**  trans-90.1130.2170.1-78.6-17.8000109.4R115R115-N117 PolarHBondContact O-N 3.28Å
118G35.1Very low40.4Very low82 Ų82148.9 Ų148.985%0.84581%0.807SS**  trans92.973.8154.500000117.6
119S37.5Very low40.5Very low122 Ų122145.4 Ų145.485%0.85381%0.806SS**  trans-150.2136.3131.7-167.30000110.2
120T46.5Very low40.7Very low142 Ų142140.9 Ų140.987%0.87181%0.805SS**  trans-104.9105.1174.447.60000109.8
121D38Very low41.2Very low122 Ų122140.1 Ų140.165%0.65280%0.804SS**  trans-147.8152.8144.9-161.612.5000110.2Q123D121-Q123 PolarHBondContact OD2-NE2 2.88Å
122L45.8Very low41.8Very low169 Ų169140.9 Ų140.989%0.88581%0.807SS**  trans-114.593.7-179.9-80.3171000109.5
123Q37.4Very low42.5Very low157 Ų157136.5 Ų136.573%0.73480%0.803SS**  trans-115.7109.6172.4-65.2-169.91700111.8D121D121-Q123 PolarHBondContact OD2-NE2 2.88Å
124T41.4Very low43Very low120 Ų120134.6 Ų134.674%0.73680%0.795SS**  trans-1.7121.7156.9430000117.9Q126T124-Q126 PolarHBondContact O-N 3.06Å
125N41.4Very low43.5Very low172 Ų172136.2 Ų136.292%0.9280%0.797SS**  trans-68106.6158.6-71.4-91.2000109.5
126Q41.7Very low44.5Very low164 Ų164131.5 Ų131.577%0.76679%0.793SS**  trans-153.9130.7164.6-1201637.400111.9T124T124-Q126 PolarHBondContact O-N 3.06Å
127D44.4Very low45.1Very low150 Ų150132.4 Ų132.480%0.80280%0.795SS**  trans65.7158.3168.8-66.7-51.8000121.1
128V44Very low45.7Very low152 Ų152131.5 Ų131.592%0.92179%0.789SS**  trans66.2109.9177.2-167.60000115.9
129G47.5Very low46.6Very low71 Ų71134.4 Ų134.473%0.73279%0.786SS**  cis-179144.5-5.600000112.3A131G129-A131 PolarHBondContact O-N 3.09Å
130T50.4Low47.2Very low143 Ų143133.2 Ų133.288%0.87777%0.769SS**PPolyproline II helixtrans-70.3116.5177.4-49.10000110.1I132T130-I132 PolarHBondContact O-N 3.39Å
131A50.5Low47.6Very low85 Ų85137.7 Ų137.770%0.70277%0.77SS**PPolyproline II helixtrans-63.5128.3174.400000110.3G129 V133G129-A131 PolarHBondContact O-N 3.09Å; A131-V133 PolarHBondContact O-N 3.44Å
132I52.3Low47.6Very low158 Ų158139.9 Ų139.981%0.8177%0.774SS**PPolyproline II helixtrans-72.2118.1176.3-60.8173.1000108T130 S134T130-I132 PolarHBondContact O-N 3.39Å; I132-S134 PolarHBondContact O-N 3.19Å
133V51Low47.6Very low126 Ų126139.9 Ų139.976%0.76477%0.774SS**  trans-81.2109.6169.9177.70000107.8A131 D135A131-V133 PolarHBondContact O-N 3.44Å; V133-D135 PolarHBondContact O-N 3.48Å
134S49Very low47.7Very low94 Ų94139.1 Ų139.166%0.65778%0.775SS**  trans-83.2105.2169-62.60000109.3I132 T136I132-S134 PolarHBondContact O-N 3.19Å; S134-T136 PolarHBondContact O-N 3.16Å
135D51.1Low47.6Very low153 Ų153141.6 Ų141.682%0.81878%0.779SS**  trans-65.1113.2162.3-89.9-37.8000109V133V133-D135 PolarHBondContact O-N 3.48Å
136T53.9Low47.8Very low127 Ų127137.8 Ų137.878%0.77977%0.766SS**  trans-118.284167.459.80000109.3S134 D138S134-T136 PolarHBondContact O-N 3.16Å; T136-D138 PolarHBondContact O-N 3.46Å
137T51.4Low47.5Very low132 Ų132136 Ų13681%0.8177%0.765SS**  trans-55.5121.2157-68.90000109.1
138D48.6Very low47.4Very low120 Ų120134.5 Ų134.564%0.64277%0.767SS**  trans-16284.9143.8-142.228000111.9T136 L140T136-D138 PolarHBondContact O-N 3.46Å; D138-L140 PolarHBondContact O-N 3.01Å; D138-L140 VanDerWaalsContact OD1-CD1 3.26Å; D138-L140 WeakPolarHBondContact OD1-CD1 3.46Å; D138-L140 WeakPolarHBondContact OD1-CG 3.23Å; D138-L140 VanDerWaalsContact OD2-CD1 3.23Å; D138-L140 WeakPolarHBondContact OD2-CD1 3.4Å
139D53.7Low47.3Very low144 Ų144136.3 Ų136.377%0.7777%0.765SS**  trans-78.352173.9-89.8-58.4000111.7W141D139-W141 PolarHBondContact O-N 3.45Å
140L52Low46.9Very low96 Ų96141.6 Ų141.650%0.50377%0.771SS.*  trans-91.880.3-176.7-66-174.1000112.6D138 F142D138-L140 PolarHBondContact O-N 3.01Å; D138-L140 VanDerWaalsContact OD1-CD1 3.26Å; D138-L140 WeakPolarHBondContact OD1-CD1 3.46Å; D138-L140 WeakPolarHBondContact OD1-CG 3.23Å; D138-L140 VanDerWaalsContact OD2-CD1 3.23Å; D138-L140 WeakPolarHBondContact OD2-CD1 3.4Å; L140-F142 HydrophobicContact CB-CD2 3.88Å; L140-F142 HydrophobicContact CB-CE2 3.77Å; L140-F142 HydrophobicContact CB-CZ 4.5Å; L140-F142 HydrophobicContact CD1-CD2 4.5Å; L140-F142 HydrophobicContact CD1-CE2 3.63Å; L140-F142 HydrophobicContact CD1-CZ 4.19Å; L140-F142 HydrophobicContact CD2-CE2 4.2Å; L140-F142 HydrophobicContact CD2-CZ 4.15Å; L140-F142 HydrophobicContact CG-CE2 4.07Å; L140-F142 PolarHBondContact O-N 2.92Å
141W54.2Low46Very low236 Ų236143.3 Ų143.389%0.89477%0.773SS**  trans-67.764.3168.2-74.564.9000112.1D139D139-W141 PolarHBondContact O-N 3.45Å
142F38.8Very low45.1Very low168 Ų168142.5 Ų142.574%0.73777%0.773SS**  trans-79127.5175.7-73.3-53.4000112.5L140 N144L140-F142 HydrophobicContact CB-CD2 3.88Å; L140-F142 HydrophobicContact CB-CE2 3.77Å; L140-F142 HydrophobicContact CB-CZ 4.5Å; L140-F142 HydrophobicContact CD1-CD2 4.5Å; L140-F142 HydrophobicContact CD1-CE2 3.63Å; L140-F142 HydrophobicContact CD1-CZ 4.19Å; L140-F142 HydrophobicContact CD2-CE2 4.2Å; L140-F142 HydrophobicContact CD2-CZ 4.15Å; L140-F142 HydrophobicContact CG-CE2 4.07Å; L140-F142 PolarHBondContact O-N 2.92Å; F142-N144 PolarHBondContact O-N 2.99Å; F142-N144 VanDerWaalsContact O-N 3.16Å
143L44.6Very low44.3Very low169 Ų169142 Ų14289%0.88578%0.777SS**  trans-65.4105.7173.8-64165.2000110E145L143-E145 VanDerWaalsContact C-N 3.25Å; L143-E145 PolarHBondContact O-N 3.32Å; L143-E145 VanDerWaalsContact O-N 3.08Å
144N39.2Very low43.4Very low141 Ų141138.8 Ų138.875%0.75477%0.77SS**  trans-82.972.1167.3-172.784.7000110.5F142 S146F142-N144 PolarHBondContact O-N 2.99Å; F142-N144 VanDerWaalsContact O-N 3.16Å; N144-S146 PolarHBondContact ND2-OG 3.49Å; N144-S146 PolarHBondContact OD1-OG 2.9Å
145E40.8Very low42.5Very low173 Ų173142.7 Ų142.781%0.80878%0.781SS**  trans-93.191.8162.2-174.2163.1-157.900108.7L143 V147L143-E145 VanDerWaalsContact C-N 3.25Å; L143-E145 PolarHBondContact O-N 3.32Å; L143-E145 VanDerWaalsContact O-N 3.08Å; E145-V147 PolarHBondContact O-N 2.81Å
146S43.8Very low41.5Very low92 Ų92144 Ų14464%0.64378%0.78SS**  trans-79.688.1-172.3-54.70000112.8N144N144-S146 PolarHBondContact ND2-OG 3.49Å; N144-S146 PolarHBondContact OD1-OG 2.9Å
147V36.6Very low40.8Very low125 Ų125143.9 Ų143.976%0.75878%0.779SS**  trans-76.5114.9158.6178.10000109.5E145E145-V147 PolarHBondContact O-N 2.81Å
148S41.5Very low39.9Very low119 Ų119146 Ų14683%0.83278%0.779SS**  trans-165.2148.7152.6-84.80000111.3
149E43Very low39.1Very low191 Ų191144.5 Ų144.589%0.89378%0.784SS**  trans-97-172.9-171.1-58.2170.3107.100112.7
150Q38.2Very low37.9Very low182 Ų182142.2 Ų142.285%0.8579%0.785SS**  trans93.174.8147.5-157.7160.237.500119.8
151L32Very low36.9Very low178 Ų178144.6 Ų144.693%0.93280%0.798SS**  -118.9146.3124.3-90.890.2000109.1
152G31.4Very low35.8Very low68 Ų68140.4 Ų140.470%0.70180%0.799SS**  cis143.918.71.100000115.6
153V36.8Very low35.5Very low147 Ų147139.4 Ų139.489%0.89180%0.797SS**  trans-131134.2178.4-175.10000108.9
154G31.6Very low35Very low59 Ų59138.1 Ų138.161%0.60879%0.786SS**  trans-134.8-173.817900000112.5
155I29.1Very low34.4Very low176 Ų176137.5 Ų137.590%0.90379%0.787SS**  trans72126.1-173.1-48.7168.6000109.6
156K30.8Very low34.3Very low181 Ų181133.8 Ų133.879%0.78778%0.781SS**  cis-146.2158.242.1-161.7-169.5163.9-167.20112.9
157V38.4Very low33.9Very low125 Ų125137.8 Ų137.876%0.75879%0.789SS**  trans-116.9171.2171.4178.40000109.2
158E33Very low33.6Very low175 Ų175140 Ų14082%0.81879%0.791SS**  trans78.6142.7176.5-56.2-171.7148.600116.6
159A31.3Very low33.3Very low90 Ų90140 Ų14074%0.74479%0.786SS**  cis-171.5-177.9-1500000110.1
160A29.5Very low32.7Very low96 Ų96134.3 Ų134.379%0.79378%0.779SS**  trans86144157.500000119.9
161D30.5Very low32.6Very low145 Ų145135.8 Ų135.878%0.77578%0.782SS**  trans-69.1161.7-175.8-50.7-107.6000114.9
162T32Very low32.8Very low148 Ų148133.1 Ų133.191%0.90877%0.773SS**  trans-140.8133.1132.3-31.70000111.7
163E31.4Very low33.1Very low148 Ų148134.8 Ų134.869%0.69277%0.774SS**  trans-73.2-177.1166.8-45.3178.8-129.100110
164Q33.8Very low33.1Very low142 Ų142133.7 Ų133.766%0.66476%0.763SS**  cis-168.4162.96.8-147.2179.571.400108.5
165T27.6Very low33.8Very low127 Ų127139.3 Ų139.378%0.77977%0.771SS**  trans64.3160163.969.70000117.6
166S38.2Very low34.2Very low95 Ų95140.2 Ų140.266%0.66477%0.769SS**  cis-141153.94.960.30000113.1
167E34.8Very low34.5Very low177 Ų177136.4 Ų136.483%0.82776%0.76SS**  trans21.8145.6131.4-52177.3158.100119.6
168E31.7Very low34.5Very low170 Ų170137.1 Ų137.179%0.79476%0.758SS**  cis-162178.426.9-150.2-155.3137.500112.8
169V33.9Very low34.4Very low120 Ų120136.9 Ų136.973%0.72776%0.757SS**  trans52.7108.7165.1-165.20000119
170G30.2Very low35Very low72 Ų72139 Ų13974%0.74276%0.761SS**  trans-95.1178.8166.400000114.4
171K36Very low35.1Very low212 Ų212137.9 Ų137.992%0.92276%0.758SS**  trans-147.3138160.7-155.7166.7-171.9172.70113.2
172V35.8Very low35.8Very low123 Ų123140.2 Ų140.275%0.74576%0.762SS**  trans-75.2136.4179.3169.50000111.7
173S38.4Very low36.1Very low103 Ų103140.3 Ų140.372%0.7276%0.756SS**  trans-156.2114.5140.165.30000111.7
174D36.8Very low36.7Very low123 Ų123141 Ų14166%0.65877%0.765SS**  trans-61.7160.4169.5-47.8-103.3000111.9
175K45.6Very low37.1Very low177 Ų177141.9 Ų141.977%0.7777%0.774SS**  168.8128.5114-88.2156.4-128.992.30112.2
176K37.4Very low38.4Very low196 Ų196143 Ų14385%0.85277%0.774SS**  trans44.9144.8132.7-85.6-153.1166.8-171.20121.1
177V38.1Very low39Very low101 Ų101146.1 Ų146.161%0.61278%0.779SS**  cis-174.9168.6-5.173.10000109.6
178I39Very low39.4Very low139 Ų139144.1 Ų144.171%0.71377%0.773SS**  trans63.5109.5165.2-67166.6000113.9
179E30.6Very low40.5Very low170 Ų170140.4 Ų140.479%0.79477%0.767SS**  86.8111.350.2-168.6179.5-172.900114.1
180V44.1Very low41.3Very low135 Ų135142.3 Ų142.382%0.81877%0.765SS**  trans42.2110.4155.5-174.70000119
181G32.3Very low42.1Very low72 Ų72143.5 Ų143.574%0.74276%0.762SS**  trans-148.769.1159.100000111.3
182K43.7Very low42.7Very low195 Ų195140.5 Ų140.585%0.84876%0.755SS**  trans-77.4118.7168.6-84.4-168173.3-1670109.4
183N38.2Very low43.3Very low150 Ų150139.4 Ų139.480%0.80275%0.753SS**  trans-138.8140.7152.2-61.1-75.6000106.3
184D45.6Very low43.7Very low162 Ų162141 Ų14187%0.86675%0.753SS**  trans-80.9126.3-179.6-56.6-79.6000109.8
185D40.1Very low44.1Very low161 Ų161141.7 Ų141.786%0.86176%0.757SS**  trans-103.8105179.8-143.625.1000108.3
186L55.6Low44.2Very low149 Ų149138.8 Ų138.878%0.7875%0.754SS**  trans-111.4162.7167.6-71.9173.3000107.9
187E51.5Low44.8Very low162 Ų162136 Ų13676%0.75775%0.749SS**  trans70151.2-153-43.9-49.9151.900111.6
188D43.8Very low45.6Very low134 Ų134136.8 Ų136.872%0.71775%0.753SS**  cis-117.1126.611.6167.631000112.3K190D188-K190 VanDerWaalsContact C-N 3.3Å; D188-K190 PolarHBondContact O-N 3.02Å
189S53.5Low46.3Very low93 Ų93138.3 Ų138.365%0.6576%0.758SS**  trans-79.479.4170.4-68.50000110.4S191S189-S191 VanDerWaalsContact C-N 3.34Å; S189-S191 PolarHBondContact O-N 3.24Å; S189-S191 PolarHBondContact O-OG 3.28Å
190K50.1Low47.1Very low160 Ų160136.4 Ų136.470%0.69676%0.757SS**  trans-37.885.6-175.1-171.3177.6-178.6174.70114.5D188 L192D188-K190 VanDerWaalsContact C-N 3.3Å; D188-K190 PolarHBondContact O-N 3.02Å; K190-L192 HydrophobicContact CG-CD2 4.46Å; K190-L192 HydrophobicContact CG-CG 4.42Å; K190-L192 PolarHBondContact O-N 3.28Å
191S47.1Very low47.3Very low96 Ų96133.6 Ų133.667%0.67174%0.741SS**  trans-90.997.5-177.7-670000108.7S189 S193S189-S191 VanDerWaalsContact C-N 3.34Å; S189-S191 PolarHBondContact O-N 3.24Å; S189-S191 PolarHBondContact O-OG 3.28Å; S191-S193 PolarHBondContact O-N 3.11Å
192L49.7Very low48.5Very low149 Ų149135.3 Ų135.378%0.7874%0.741SS**  trans-76.863.7177.8-69.2177.7000111.5K190 D194K190-L192 HydrophobicContact CG-CD2 4.46Å; K190-L192 HydrophobicContact CG-CG 4.42Å; K190-L192 PolarHBondContact O-N 3.28Å; L192-D194 VanDerWaalsContact C-N 3.26Å; L192-D194 PolarHBondContact O-N 3.46Å
193S48Very low49.3Very low101 Ų101133.8 Ų133.871%0.70674%0.737SS**  trans-88.165.3162.560.50000109.6S191 D195S191-S193 PolarHBondContact O-N 3.11Å; S193-D195 PolarHBondContact O-N 3.39Å; S193-D195 VanDerWaalsContact O-N 3.11Å
194D46.3Very low50.9Low136 Ų136131.7 Ų131.773%0.72773%0.726SS**  trans-83.352.9164.5-164.813.8000109L192 T196L192-D194 VanDerWaalsContact C-N 3.26Å; L192-D194 PolarHBondContact O-N 3.46Å; D194-T196 VanDerWaalsContact C-N 3.3Å; D194-T196 PolarHBondContact O-N 3.39Å; D194-T196 VanDerWaalsContact O-N 3.16Å
195D45.2Very low52.9Low138 Ų138128.1 Ų128.174%0.73870%0.704SS**  trans-86.478.7178.2-161.415000107.2S193 D197S193-D195 PolarHBondContact O-N 3.39Å; S193-D195 VanDerWaalsContact O-N 3.11Å; D195-D197 PolarHBondContact O-N 3.06Å
196T49.3Very low55.3Low115 Ų115121.2 Ų121.271%0.70667%0.666SS**  trans-74.573.5173.433.30000108.9D194 V198D194-T196 VanDerWaalsContact C-N 3.3Å; D194-T196 PolarHBondContact O-N 3.39Å; D194-T196 VanDerWaalsContact O-N 3.16Å; T196-V198 VanDerWaalsContact C-N 3.32Å; T196-V198 PolarHBondContact O-N 3.29Å
197D48.8Very low57Low138 Ų138119 Ų11974%0.73865%0.651SS**  trans-56.293.3175.2-165.110.2000108.7D195 E199D195-D197 PolarHBondContact O-N 3.06Å; D197-E199 PolarHBondContact O-N 3.3Å; D197-E199 VanDerWaalsContact O-N 3.16Å
198V54.9Low59Low117 Ų117111.3 Ų111.371%0.70962%0.616SS**  trans-71.3113.7-179.666.80000106.6T196 V200T196-V198 VanDerWaalsContact C-N 3.32Å; T196-V198 PolarHBondContact O-N 3.29Å; V198-V200 VanDerWaalsContact C-N 3.29Å; V198-V200 PolarHBondContact O-N 3.12Å
199E53.4Low61.2Low172 Ų172108.4 Ų108.480%0.80460%0.603SS**  trans-50.388.3-175.5-71.3-100.3169.800111.4D197 T201D197-E199 PolarHBondContact O-N 3.3Å; D197-E199 VanDerWaalsContact O-N 3.16Å; E199-T201 VanDerWaalsContact C-N 3.33Å; E199-T201 PolarHBondContact O-N 3.2Å
200V47.8Very low63Low129 Ų129110.6 Ų110.678%0.78260%0.603SS**  trans-66.4100.4165.5171.90000104.6V198 S202V198-V200 VanDerWaalsContact C-N 3.29Å; V198-V200 PolarHBondContact O-N 3.12Å; V200-S202 PolarHBondContact O-N 3.45Å
201T49.3Very low65.1Low77 Ų77105.3 Ų105.347%0.47259%0.585SS.*  trans-56.7132.4-171.4690000109.1E199 E203E199-T201 VanDerWaalsContact C-N 3.33Å; E199-T201 PolarHBondContact O-N 3.2Å; T201-E203 WeakPolarHBondContact CB-OE2 3.39Å; T201-E203 PolarHBondContact O-N 3.47Å; T201-E203 PolarHBondContact OG1-OE2 2.91Å
202S56.8Low67.1Low108 Ų108107.8 Ų107.876%0.75558%0.584SS**THydrogen-bonded Turntrans-71.220.2-173.154.70000113.8V200V200-S202 PolarHBondContact O-N 3.45Å
203E61.1Low69.1Low162 Ų162104.2 Ų104.276%0.75756%0.562SS**THydrogen-bonded Turntrans-94.8-19.7-165.4-60.8168.515200112.2T201T201-E203 WeakPolarHBondContact CB-OE2 3.39Å; T201-E203 PolarHBondContact O-N 3.47Å; T201-E203 PolarHBondContact OG1-OE2 2.91Å
204D71.1Confident71.2Confident106 Ų106103.9 Ų103.957%0.56755%0.548SS*.SBendtrans-1086-176.5-154.118.7000113.7P217D204-P217 HydrophobicContact CB-CG 4.07Å; D204-P217 WeakPolarHBondContact O-CB 3.48Å; D204-P217 VanDerWaalsContact O-CD 3.3Å; D204-P217 WeakPolarHBondContact O-CD 3.38Å; D204-P217 WeakPolarHBondContact O-CG 3.37Å; D204-P217 WeakPolarHBondContact OD2-CB 3.49Å; D204-P217 VanDerWaalsContact OD2-CG 3.23Å; D204-P217 WeakPolarHBondContact OD2-CG 3.46Å
205E87.9Confident73.2Confident87 Ų8797.5 Ų97.541%0.40751%0.514SS..PPolyproline II helixtrans-73.3130.5174.3-69.7-148.8109.100112.7F214 N215E205-F214 HydrophobicContact CB-CB 4.03Å; E205-F214 HydrophobicContact CB-CD1 4.16Å; E205-F214 WeakPolarHBondContact OE2-CB 3.4Å; E205-N215 CarbonylContact C-O 3.6Å; E205-N215 WeakPolarHBondContact CA-O 3.38Å
206W89Confident75.3Confident17 Ų1793.7 Ų93.76%0.06450%0.498CS..EExtended strand (participates in β ladder)trans-96.1130.4175.571.3-84.9000112.8C208 F214 N215 S216 K219 C222 R229W206-C208 HydrophobicContact CZ3-CB 4.14Å; W206-F214 CarbonylContact O-C 3.56Å; W206-F214 WeakPolarHBondContact O-CA 3.35Å; W206-N215 HydrophobicContact CD2-CB 4.32Å; W206-N215 HydrophobicContact CZ2-CB 4.03Å; W206-N215 PolarHBondContact N-O 3.39Å; W206-N215 PolarHBondContact O-N 2.8Å; W206-N215 PolarHBondContact O-ND2 3.47Å; W206-S216 PolarHBondContact NE1-O 3.49Å; W206-S216 VanDerWaalsContact NE1-O 3.11Å; W206-K219 WeakPolarHBondContact CZ2-O 3.32Å; W206-K219 PolarHBondContact NE1-O 3.36Å; W206-C222 HydrophobicContact CH2-CB 3.96Å; W206-R229 HydrophobicContact CD2-CB 4.06Å; W206-R229 HydrophobicContact CD2-CG 3.73Å; W206-R229 HydrophobicContact CE3-CB 3.95Å; W206-R229 HydrophobicContact CE3-CG 3.71Å; W206-R229 HydrophobicContact CG-CG 4.24Å; W206-R229 HydrophobicContact CH2-CB 3.64Å; W206-R229 HydrophobicContact CH2-CG 4.35Å; W206-R229 HydrophobicContact CZ2-CB 3.76Å; W206-R229 HydrophobicContact CZ2-CG 4.38Å; W206-R229 HydrophobicContact CZ3-CB 3.74Å; W206-R229 HydrophobicContact CZ3-CG 4.02Å
207Q92.6Very high77.1Confident102 Ų10290.2 Ų90.248%0.47748%0.477SS..EExtended strand (participates in β ladder)trans-79.2128.6176.4-172.1167.565.500111.9K212 F214Q207-K212 HydrophobicContact CG-CB 4.35Å; Q207-K212 WeakPolarHBondContact CG-O 2.91Å; Q207-K212 PolarHBondContact NE2-O 3.49Å; Q207-F214 HydrophobicContact CB-CD1 4.02Å; Q207-F214 HydrophobicContact CB-CE1 3.92Å; Q207-F214 HydrophobicContact CB-CZ 4.45Å; Q207-F214 HydrophobicContact CG-CE1 4.47Å
208C92.8Very high78.8Confident1 Ų187.7 Ų87.71%0.00747%0.471CS..PPolyproline II helixtrans-68.8132.9173.81760000111.8W206 E210 K212 K213 C222W206-C208 HydrophobicContact CZ3-CB 4.14Å; C208-E210 PolarHBondContact O-N 3.42Å; C208-E210 PolarHBondContact SG-N 2.94Å; C208-K212 WeakPolarHBondContact O-CA 3.24Å; C208-K212 PolarHBondContact O-N 2.95Å; C208-K213 WeakPolarHBondContact CB-O 3.39Å; C208-K213 PolarHBondContact N-O 3.04Å; C208-C222 HydrophobicContact CB-CB 3.73Å; C208-C222 VanDerWaalsContact CB-SG 3.56Å; C208-C222 VanDerWaalsContact SG-CB 3.57Å
209T90.4Very high80.2Confident72 Ų7288 Ų8844%0.44246%0.463SS..THydrogen-bonded Turntrans-60.9-42.3177.349.40000112.7K230T209-K230 HydrophobicContact CG2-CB 4.19Å; T209-K230 HydrophobicContact CG2-CD 4.37Å
210E91.8Very high81.9Confident140 Ų14086.1 Ų86.165%0.65445%0.448SS*.THydrogen-bonded Turntrans-78.6-45.2-171.5-49.5-46.3111.400112.9C208 A227C208-E210 PolarHBondContact O-N 3.42Å; C208-E210 PolarHBondContact SG-N 2.94Å; E210-A227 HydrophobicContact CB-CB 4.27Å; E210-A227 HydrophobicContact CG-CB 3.55Å
211C92.8Very high84.1Confident49 Ų4985.9 Ų85.933%0.33143%0.434SS..THydrogen-bonded Turntrans-117.10.4-172.6760000114.9K213 C222 C225C211-K213 PolarHBondContact O-N 3.37Å; C211-C222 PolarHBondContact SG-SG 3.2Å; C211-C225 HydrophobicContact CB-CB 4.32Å
212K90.6Very high86.1Confident148 Ų14882.2 Ų82.264%0.64341%0.412SS*.  trans57.39.5177.8-57.3-176.4-178.3-1790116.3Q207 C208Q207-K212 HydrophobicContact CG-CB 4.35Å; Q207-K212 WeakPolarHBondContact CG-O 2.91Å; Q207-K212 PolarHBondContact NE2-O 3.49Å; C208-K212 WeakPolarHBondContact O-CA 3.24Å; C208-K212 PolarHBondContact O-N 2.95Å
213K91Very high87.8Confident74 Ų7482.1 Ų82.132%0.32240%0.398SS..  trans-72.2130.7169.1-179.159.8-126.6-169.10109.2C208 C211 N215 F223 R224C208-K213 WeakPolarHBondContact CB-O 3.39Å; C208-K213 PolarHBondContact N-O 3.04Å; C211-K213 PolarHBondContact O-N 3.37Å; K213-N215 PolarHBondContact O-ND2 2.9Å; K213-F223 HydrophobicContact CD-CE1 4.05Å; K213-F223 HydrophobicContact CD-CZ 3.68Å; K213-F223 HydrophobicContact CG-CD1 4.48Å; K213-F223 HydrophobicContact CG-CE1 3.7Å; K213-F223 HydrophobicContact CG-CE2 4.34Å; K213-F223 HydrophobicContact CG-CZ 3.63Å; K213-R224 HydrophobicContact CB-CB 4.26Å; K213-R224 HydrophobicContact CG-CB 4.26Å
214F91.9Very high89.3Confident94 Ų9482.4 Ų82.441%0.41239%0.392SS..EExtended strand (participates in β ladder)trans-68.7145.7167.8-66.5-86.9000111.4E205 W206 Q207 F223E205-F214 HydrophobicContact CB-CB 4.03Å; E205-F214 HydrophobicContact CB-CD1 4.16Å; E205-F214 WeakPolarHBondContact OE2-CB 3.4Å; W206-F214 CarbonylContact O-C 3.56Å; W206-F214 WeakPolarHBondContact O-CA 3.35Å; Q207-F214 HydrophobicContact CB-CD1 4.02Å; Q207-F214 HydrophobicContact CB-CE1 3.92Å; Q207-F214 HydrophobicContact CB-CZ 4.45Å; Q207-F214 HydrophobicContact CG-CE1 4.47Å; F214-F223 WeakPolarHBondContact O-CE1 3.38Å
215N89.5Confident90.4Very high2 Ų279.9 Ų79.91%0.01138%0.382CS..EExtended strand (participates in β ladder)trans-144.1152-175.6-40.4-97.7000109.4E205 W206 K213 C222 F223E205-N215 CarbonylContact C-O 3.6Å; E205-N215 WeakPolarHBondContact CA-O 3.38Å; W206-N215 HydrophobicContact CD2-CB 4.32Å; W206-N215 HydrophobicContact CZ2-CB 4.03Å; W206-N215 PolarHBondContact N-O 3.39Å; W206-N215 PolarHBondContact O-N 2.8Å; W206-N215 PolarHBondContact O-ND2 3.47Å; K213-N215 PolarHBondContact O-ND2 2.9Å; N215-C222 VanDerWaalsContact OD1-CA 3.29Å; N215-C222 WeakPolarHBondContact OD1-CA 3.21Å; N215-C222 PolarHBondContact OD1-SG 3.02Å; N215-F223 HydrophobicContact CB-CD1 4.33Å; N215-F223 VanDerWaalsContact OD1-CD1 3.26Å; N215-F223 WeakPolarHBondContact OD1-CD1 3.45Å; N215-F223 PolarHBondContact OD1-N 3.02Å; N215-F223 VanDerWaalsContact OD1-N 3.12Å
216S88.7Confident90.7Very high58 Ų5884.9 Ų84.941%0.40640%0.397SS..  trans-59.3141.4179.2-370000112.3W206 S218 K219W206-S216 PolarHBondContact NE1-O 3.49Å; W206-S216 VanDerWaalsContact NE1-O 3.11Å; S216-S218 PolarHBondContact O-N 2.93Å; S216-K219 PolarHBondContact O-N 2.99Å
217P86Confident90.8Very high41 Ų4185.1 Ų85.127%0.26640%0.403SS..THydrogen-bonded Turntrans-58.3-34.3-17622.3-33.5000112.8D204 K219 R229D204-P217 HydrophobicContact CB-CG 4.07Å; D204-P217 WeakPolarHBondContact O-CB 3.48Å; D204-P217 VanDerWaalsContact O-CD 3.3Å; D204-P217 WeakPolarHBondContact O-CD 3.38Å; D204-P217 WeakPolarHBondContact O-CG 3.37Å; D204-P217 WeakPolarHBondContact OD2-CB 3.49Å; D204-P217 VanDerWaalsContact OD2-CG 3.23Å; D204-P217 WeakPolarHBondContact OD2-CG 3.46Å; P217-K219 PolarHBondContact O-N 3.36Å; P217-R229 PolarHBondContact O-NH1 3.22Å
218S84.4Confident90.7Very high86 Ų8684.3 Ų84.360%0.60140%0.401SS*.THydrogen-bonded Turntrans-68.3-7.7178.661.50000115.2S216S216-S218 PolarHBondContact O-N 2.93Å
219K85.9Confident90.6Very high124 Ų12487.5 Ų87.554%0.53941%0.413SS..  trans-108.9121.4-177.5-54.2-56.1177.9-172.70111W206 S216 P217 Y221W206-K219 WeakPolarHBondContact CZ2-O 3.32Å; W206-K219 PolarHBondContact NE1-O 3.36Å; S216-K219 PolarHBondContact O-N 2.99Å; P217-K219 PolarHBondContact O-N 3.36Å; K219-Y221 VanDerWaalsContact C-N 3.31Å; K219-Y221 PolarHBondContact O-N 2.88Å
220R89.2Confident90.1Very high131 Ų13190.7 Ų90.749%0.49442%0.421SS..SBendtrans-73.1-19.5-179.6-55.4-174.8-173.5127.84.1114.1L228 R229 W232R220-L228 HydrophobicContact CB-CD1 4.43Å; R220-R229 WeakPolarHBondContact O-CB 3.28Å; R220-R229 PolarHBondContact O-N 2.95Å; R220-W232 HydrophobicContact CG-CD2 4.26Å; R220-W232 HydrophobicContact CG-CZ2 3.86Å
221Y92.4Very high89.1Confident125 Ų12588.8 Ų88.849%0.4942%0.415SS..BIsolated β-bridgetrans-120.4144.4-177-55-75.6000109.9K219 F223 W226 A227 L228K219-Y221 VanDerWaalsContact C-N 3.31Å; K219-Y221 PolarHBondContact O-N 2.88Å; Y221-F223 PolarHBondContact O-N 2.72Å; Y221-W226 WeakPolarHBondContact CD1-O 3.29Å; Y221-A227 WeakPolarHBondContact CA-O 3.14Å; Y221-L228 HydrophobicContact CD1-CB 4.41Å; Y221-L228 HydrophobicContact CD1-CD1 3.94Å; Y221-L228 HydrophobicContact CE1-CB 4.5Å; Y221-L228 HydrophobicContact CE1-CD1 3.58Å
222C93.1Very high88Confident0 Ų091.4 Ų91.40%042%0.418CS..  trans-67.2128173.5174.70000110.2W206 C208 C211 N215 R224 W226 A227W206-C222 HydrophobicContact CH2-CB 3.96Å; C208-C222 HydrophobicContact CB-CB 3.73Å; C208-C222 VanDerWaalsContact CB-SG 3.56Å; C208-C222 VanDerWaalsContact SG-CB 3.57Å; C211-C222 PolarHBondContact SG-SG 3.2Å; N215-C222 VanDerWaalsContact OD1-CA 3.29Å; N215-C222 WeakPolarHBondContact OD1-CA 3.21Å; N215-C222 PolarHBondContact OD1-SG 3.02Å; C222-R224 PolarHBondContact O-N 2.85Å; C222-R224 VanDerWaalsContact O-N 3.14Å; C222-R224 PolarHBondContact SG-N 2.91Å; C222-W226 WeakPolarHBondContact O-CA 3.28Å; C222-W226 PolarHBondContact O-N 3.19Å; C222-A227 PolarHBondContact N-O 2.89Å
223F91.7Very high86.4Confident106 Ų10691.3 Ų91.347%0.46542%0.415SS..THydrogen-bonded Turntrans-68-16.7-176.975.3-101.1000113.6K213 F214 N215 Y221K213-F223 HydrophobicContact CD-CE1 4.05Å; K213-F223 HydrophobicContact CD-CZ 3.68Å; K213-F223 HydrophobicContact CG-CD1 4.48Å; K213-F223 HydrophobicContact CG-CE1 3.7Å; K213-F223 HydrophobicContact CG-CE2 4.34Å; K213-F223 HydrophobicContact CG-CZ 3.63Å; F214-F223 WeakPolarHBondContact O-CE1 3.38Å; N215-F223 HydrophobicContact CB-CD1 4.33Å; N215-F223 VanDerWaalsContact OD1-CD1 3.26Å; N215-F223 WeakPolarHBondContact OD1-CD1 3.45Å; N215-F223 PolarHBondContact OD1-N 3.02Å; N215-F223 VanDerWaalsContact OD1-N 3.12Å; Y221-F223 PolarHBondContact O-N 2.72Å
224R92.1Very high84.9Confident168 Ų16891.5 Ų91.563%0.63443%0.426SS*.THydrogen-bonded Turntrans-89.3-39.5-178.2-173.372.583.2-156.27.4113.3K213 C222K213-R224 HydrophobicContact CB-CB 4.26Å; K213-R224 HydrophobicContact CG-CB 4.26Å; C222-R224 PolarHBondContact O-N 2.85Å; C222-R224 VanDerWaalsContact O-N 3.14Å; C222-R224 PolarHBondContact SG-N 2.91Å
225C94Very high82.8Confident53 Ų5394.7 Ų94.736%0.35845%0.447SS..THydrogen-bonded Turntrans-130.83.8-173.466.60000114.6C211 A227C211-C225 HydrophobicContact CB-CB 4.32Å; C225-A227 PolarHBondContact O-N 3.09Å
226W93.9Very high80.7Confident192 Ų19298.4 Ų98.473%0.72747%0.472SS*.  trans59.95.3-179.6-58.487000116.1Y221 C222 L228Y221-W226 WeakPolarHBondContact CD1-O 3.29Å; C222-W226 WeakPolarHBondContact O-CA 3.28Å; C222-W226 PolarHBondContact O-N 3.19Å; W226-L228 PolarHBondContact O-N 2.74Å
227A92.1Very high78.8Confident22 Ų22100.6 Ų100.618%0.18249%0.487CS..PPolyproline II helixtrans-59.2135.7172.800000111.4E210 Y221 C222 C225E210-A227 HydrophobicContact CB-CB 4.27Å; E210-A227 HydrophobicContact CG-CB 3.55Å; Y221-A227 WeakPolarHBondContact CA-O 3.14Å; C222-A227 PolarHBondContact N-O 2.89Å; C225-A227 PolarHBondContact O-N 3.09Å
228L90.6Very high77Confident84 Ų84108.1 Ų108.144%0.4452%0.516SS..BIsolated β-bridgetrans-65.4141.1179.4-173.572.2000111R220 Y221 W226 K230R220-L228 HydrophobicContact CB-CD1 4.43Å; Y221-L228 HydrophobicContact CD1-CB 4.41Å; Y221-L228 HydrophobicContact CD1-CD1 3.94Å; Y221-L228 HydrophobicContact CE1-CB 4.5Å; Y221-L228 HydrophobicContact CE1-CD1 3.58Å; W226-L228 PolarHBondContact O-N 2.74Å; L228-K230 PolarHBondContact O-N 3.49Å
229R89.8Confident75Confident68 Ų68111 Ų11126%0.25752%0.524SS..PPolyproline II helixtrans-59.2119.2169.7-178.2169.2174.2171.24.2109.1W206 P217 R220 W232W206-R229 HydrophobicContact CD2-CB 4.06Å; W206-R229 HydrophobicContact CD2-CG 3.73Å; W206-R229 HydrophobicContact CE3-CB 3.95Å; W206-R229 HydrophobicContact CE3-CG 3.71Å; W206-R229 HydrophobicContact CG-CG 4.24Å; W206-R229 HydrophobicContact CH2-CB 3.64Å; W206-R229 HydrophobicContact CH2-CG 4.35Å; W206-R229 HydrophobicContact CZ2-CB 3.76Å; W206-R229 HydrophobicContact CZ2-CG 4.38Å; W206-R229 HydrophobicContact CZ3-CB 3.74Å; W206-R229 HydrophobicContact CZ3-CG 4.02Å; P217-R229 PolarHBondContact O-NH1 3.22Å; R220-R229 WeakPolarHBondContact O-CB 3.28Å; R220-R229 PolarHBondContact O-N 2.95Å; R229-W232 HydrophobicContact CB-CB 4.26Å; R229-W232 HydrophobicContact CG-CB 4.42Å; R229-W232 WeakPolarHBondContact O-CB 3.33Å; R229-W232 PolarHBondContact O-N 3.07Å
230K81.4Confident72.7Confident140 Ų140110.5 Ų110.561%0.60953%0.531SS*.THydrogen-bonded Turntrans-58.4144.1178.2-156.8-162.8165.1-145.20110.2T209 L228 W232T209-K230 HydrophobicContact CG2-CB 4.19Å; T209-K230 HydrophobicContact CG2-CD 4.37Å; L228-K230 PolarHBondContact O-N 3.49Å; K230-W232 PolarHBondContact O-N 3.17Å
231D69.6Low70.6Confident100 Ų100113.6 Ų113.654%0.53555%0.551SS.*THydrogen-bonded Turntrans63.93.9174.4-51.9-52.3000115.7Y233 S234D231-Y233 PolarHBondContact O-N 2.97Å; D231-Y233 VanDerWaalsContact O-N 3.09Å; D231-S234 WeakPolarHBondContact CA-OG 3.42Å; D231-S234 WeakPolarHBondContact O-CB 3.38Å; D231-S234 PolarHBondContact O-N 3.25Å; D231-S234 VanDerWaalsContact O-N 3.12Å; D231-S234 PolarHBondContact O-OG 2.92Å
232W69.3Low68.5Low103 Ų103111.7 Ų111.739%0.3956%0.556SS.*THydrogen-bonded Turntrans-58.7-21.7175.6-179.5-85.6000114.8R220 R229 K230R220-W232 HydrophobicContact CG-CD2 4.26Å; R220-W232 HydrophobicContact CG-CZ2 3.86Å; R229-W232 HydrophobicContact CB-CB 4.26Å; R229-W232 HydrophobicContact CG-CB 4.42Å; R229-W232 WeakPolarHBondContact O-CB 3.33Å; R229-W232 PolarHBondContact O-N 3.07Å; K230-W232 PolarHBondContact O-N 3.17Å
233Y58.3Low66.4Low147 Ų147120 Ų12058%0.57660%0.599SS**THydrogen-bonded Turntrans-107.85.5-179.3-97.6-79.1000113.8D231 D235 C236D231-Y233 PolarHBondContact O-N 2.97Å; D231-Y233 VanDerWaalsContact O-N 3.09Å; Y233-D235 VanDerWaalsContact C-N 3.25Å; Y233-D235 PolarHBondContact O-N 3.38Å; Y233-C236 HydrophobicContact CD1-CB 4.34Å; Y233-C236 VanDerWaalsContact CD1-SG 3.57Å; Y233-C236 PolarHBondContact O-N 3.08Å
234S58.7Low64.2Low78 Ų78120.7 Ų120.755%0.54562%0.617SS.*THydrogen-bonded Turntrans-66.6-24.2-172.5-66.30000114.1D231D231-S234 WeakPolarHBondContact CA-OG 3.42Å; D231-S234 WeakPolarHBondContact O-CB 3.38Å; D231-S234 PolarHBondContact O-N 3.25Å; D231-S234 VanDerWaalsContact O-N 3.12Å; D231-S234 PolarHBondContact O-OG 2.92Å
235D48.8Very low61.6Low160 Ų160119.1 Ų119.186%0.85663%0.627SS**THydrogen-bonded Turntrans-92.35.2178.3-62.4-44.8000114.1Y233 S237Y233-D235 VanDerWaalsContact C-N 3.25Å; Y233-D235 PolarHBondContact O-N 3.38Å; D235-S237 VanDerWaalsContact C-N 3.29Å; D235-S237 PolarHBondContact O-N 2.78Å
236C44.1Very low58.9Low81 Ų81121.9 Ų121.955%0.54765%0.647SS.*SBendtrans-68.393.9162.2-83.10000109Y233 K238Y233-C236 HydrophobicContact CD1-CB 4.34Å; Y233-C236 VanDerWaalsContact CD1-SG 3.57Å; Y233-C236 PolarHBondContact O-N 3.08Å; C236-K238 PolarHBondContact O-N 3.21Å
237S48.8Very low56.3Low103 Ų103120.7 Ų120.772%0.7265%0.654SS**  trans-47.4128.4171.258.10000109.5D235 L239D235-S237 VanDerWaalsContact C-N 3.29Å; D235-S237 PolarHBondContact O-N 2.78Å; S237-L239 PolarHBondContact O-N 3.44Å
238K48.9Very low53.7Low200 Ų200127 Ų12787%0.8768%0.684SS**  trans-6597.1-173.6-65.8175.1-176172.70108.7C236 T240C236-K238 PolarHBondContact O-N 3.21Å; K238-T240 PolarHBondContact O-N 3.13Å
239L42.5Very low51.2Low147 Ų147129.2 Ų129.277%0.7770%0.701SS**  trans-59.4106.6173.1-82.5169.1000108.1S237 H241S237-L239 PolarHBondContact O-N 3.44Å; L239-H241 PolarHBondContact O-N 3.46Å; L239-H241 VanDerWaalsContact O-N 3.11Å
240T38.2Very low48.5Very low113 Ų113130.5 Ų130.569%0.69373%0.726SS**  trans-57.4116.3176.8-48.30000107.9K238 S242K238-T240 PolarHBondContact O-N 3.13Å; T240-S242 PolarHBondContact O-N 3.25Å
241H45.1Very low46.4Very low196 Ų196131.4 Ų131.491%0.90774%0.736SS**  trans-74.667.8175.5-80.9-83.8000110.4L239L239-H241 PolarHBondContact O-N 3.46Å; L239-H241 VanDerWaalsContact O-N 3.11Å
242S47.6Very low45.3Very low85 Ų85132.1 Ų132.159%0.59475%0.746SS**  trans-146.4121.1171.7-570000104.2T240T240-S242 PolarHBondContact O-N 3.25Å
243L48.9Very low43.7Very low173 Ų173136.1 Ų136.191%0.90677%0.769SS**  cis-13913133-59.9159.1000110.9
244S46.4Very low42.7Very low121 Ų121136.1 Ų136.185%0.84677%0.772SS**  trans-162.864.4157.9-1540000112.8
245T36.5Very low42Very low135 Ų135140.1 Ų140.183%0.82878%0.782SS**  trans-138.6107.5158.647.50000106.5
246S37.3Very low41.5Very low112 Ų112140 Ų14078%0.78378%0.781SS**  trans-69134.6-178.6-52.90000110.9I248S246-I248 PolarHBondContact O-N 2.8Å
247D38.6Very low41.4Very low166 Ų166145.8 Ų145.889%0.88880%0.8SS**  trans-60.4127.7170.3-69.7-66.1000110.8
248I39Very low41Very low155 Ų155143.5 Ų143.580%0.79579%0.793SS**  trans-128.1113.8165.9-60.9-178.6000107.3S246 A250S246-I248 PolarHBondContact O-N 2.8Å; I248-A250 PolarHBondContact O-N 2.84Å
249T37.1Very low40.4Very low131 Ų131141.6 Ų141.680%0.80479%0.793SS**PPolyproline II helixtrans-61.4119.6-179.9-46.50000110.7I251T249-I251 PolarHBondContact O-N 2.73Å
250A32.9Very low40.7Very low95 Ų95142.4 Ų142.479%0.78580%0.798SS**PPolyproline II helixtrans-70.3117.3-177.300000112.2I248I248-A250 PolarHBondContact O-N 2.84Å
251I38.4Very low41.4Very low159 Ų159142.7 Ų142.782%0.81580%0.799SS**PPolyproline II helixtrans-94.6128.5161.5-57.8175.9000107.1T249T249-I251 PolarHBondContact O-N 2.73Å
252P46.4Very low42Very low115 Ų115138.6 Ų138.675%0.74779%0.79SS**  trans-93.1114.2-174.933.4-31.7000112.6
253E34.2Very low42.3Very low186 Ų186142.1 Ų142.187%0.86980%0.802SS**  trans-151.8107.9158.6-126.5160.1-134.800115.3
254K37.2Very low42Very low148 Ų148139.2 Ų139.264%0.64380%0.795SS**  trans32.5121.6145-70.7-177.7159.8-83.20123.6
255E44.6Very low41.9Very low162 Ų162145.3 Ų145.376%0.75780%0.799SS**  56.287.9120.3-60.6158.8-152.200119.6
256N37.9Very low42.1Very low156 Ų156150.1 Ų150.183%0.83480%0.802SS**  trans-150.992.9148.735.915.6000113.5
257E43.5Very low42.4Very low203 Ų203151.5 Ų151.595%0.94981%0.806SS**  trans6.9128.1146.4-168.3162.8-143.700120.2
258G39.3Very low42.4Very low56 Ų56151.6 Ų151.658%0.57781%0.805SS**  trans126.591.8151.500000117.7
259N36.1Very low42.2Very low160 Ų160149.8 Ų149.886%0.85681%0.806SS**  166.8118.9111-81.8-19.3000111.5
260D49.1Very low42.1Very low163 Ų163147.8 Ų147.887%0.87280%0.803SS**  trans-82.4123.1176.3-170.114.4000110.3
261V52.8Low42.4Very low119 Ų119149.1 Ų149.172%0.72180%0.803SS**  trans-105.9119-177.8178.60000108.2D263V261-D263 PolarHBondContact O-N 3.16Å; V261-D263 VanDerWaalsContact O-N 3.15Å
262P58.7Low42.3Very low111 Ų111147.4 Ų147.472%0.72180%0.8SS**  trans-66.7117.1-167.625.5-34.6000112C264P262-C264 PolarHBondContact O-N 2.83Å
263D54.3Low41.7Very low158 Ų158148.1 Ų148.185%0.84580%0.802SS**  trans-64.7118.7-173.4-153.6-0.9000111.7V261 R265V261-D263 PolarHBondContact O-N 3.16Å; V261-D263 VanDerWaalsContact O-N 3.15Å; D263-R265 PolarHBondContact O-N 3.04Å
264C42.5Very low42.1Very low112 Ų112149.6 Ų149.676%0.75780%0.799SS**  trans-70.397.9-173.3-79.70000110.9P262 R266P262-C264 PolarHBondContact O-N 2.83Å; C264-R266 PolarHBondContact O-N 3.33Å
265R42.8Very low42.2Very low249 Ų249148.6 Ų148.694%0.9481%0.808SS**  trans-40.695.7-177.1-65.6-175.6176.6-144.4-1.5114.2D263D263-R265 PolarHBondContact O-N 3.04Å
266R40.9Very low42Very low237 Ų237150.6 Ų150.689%0.89481%0.814SS**  trans-75.4138.9165.5-79.7-178.7168151.7-1.9110.4C264C264-R266 PolarHBondContact O-N 3.33Å
267T43.8Very low41.9Very low140 Ų140150.6 Ų150.686%0.85982%0.815SS**  trans-70.6136.7-178.640.80000111.8
268I38.2Very low41.4Very low168 Ų168145.4 Ų145.486%0.86281%0.806SS**  trans-94.4114-175.9-58.4168.4000110.1
269S35Very low41.1Very low118 Ų118153.2 Ų153.283%0.82582%0.82SS**  trans-16871.6158.556.80000113.4
270A34.8Very low41Very low88 Ų88152 Ų15273%0.72781%0.812SS**  trans-137.8120163.600000109.2
271P41.1Very low40.6Very low123 Ų123154 Ų15480%0.79981%0.813SS**  trans-77.7133.3-171.429.4-34.1000112.7V273P271-V273 PolarHBondContact O-N 3.02Å
272V34.9Very low39.7Very low123 Ų123155.8 Ų155.875%0.74581%0.811SS**  trans-74.7109.6177.6177.40000110.5
273V35.2Very low38.4Very low130 Ų130158.2 Ų158.279%0.78881%0.813SS**  trans-88.5115.9166.3-1800000109P271 P275P271-V273 PolarHBondContact O-N 3.02Å; V273-P275 WeakPolarHBondContact O-CD 3.12Å
274R40.8Very low37.5Very low217 Ų217155.7 Ų155.782%0.81980%0.799SS**  trans-82.2123.1172.4-69.6-80-173.3152.6-0.1109.7
275P40.2Very low37.1Very low128 Ų128155.1 Ų155.183%0.83180%0.797SS**  trans-60.8153.9158.3-19.533.5000110.3V273V273-P275 WeakPolarHBondContact O-CD 3.12Å
276K40.4Very low36.9Very low203 Ų203151.7 Ų151.788%0.88379%0.788SS**  trans-134.2134.4-178.2-173.2176.5-178.9179.80109.5
277D35.8Very low36.4Very low157 Ų157147.1 Ų147.184%0.8478%0.781SS**  trans-76.4165.4-165.6-64.9-70.8000116.4
278A33.7Very low35.8Very low94 Ų94149.8 Ų149.878%0.77778%0.781SS**  trans78.6108.9154.700000119.7
279Y32.3Very low35.5Very low220 Ų220148.6 Ų148.686%0.86378%0.777SS**  -139.4147.4121.4-168.3-103.1000110.7
280I34.9Very low36.2Very low134 Ų134147.9 Ų147.969%0.68777%0.769SS**  trans-112.4136.3-175.7-65.1173.8000110.1
281K39.1Very low35.9Very low204 Ų204148.5 Ų148.589%0.88777%0.767SS**  trans-139.2131.1152.4-161.3174.9-177.4-177.20110.4
282K35.4Very low35.2Very low158 Ų158149.7 Ų149.769%0.68777%0.766SS**  trans-129.9137.5-177.3167.8-176.6173.7-179.90109.6N284K282-N284 WeakPolarHBondContact CE-OD1 3.27Å
283E31.4Very low35.2Very low161 Ų161147.9 Ų147.975%0.75276%0.759SS**  trans-176.696.2151.4-161.369.1-116.300104.9
284N34.5Very low35.1Very low105 Ų105147 Ų14756%0.56175%0.754SS**  57.1137.699.3-59-28.2000114K282K282-N284 WeakPolarHBondContact CE-OD1 3.27Å
285S34.4Very low34.7Very low101 Ų101144.3 Ų144.371%0.70675%0.751SS**  cis-160.7175.2-5.853.80000107.1
286K37.3Very low34.1Very low176 Ų176146.4 Ų146.477%0.76575%0.747SS**  cis-138.8-177.923.9-60.6174.9-172.6173.10108.2
287L31.8Very low33.9Very low142 Ų142143.5 Ų143.574%0.74374%0.741SS**  cis53.2116.349.9-94.776.2000114.5
288F31.2Very low33.9Very low196 Ų196142.9 Ų142.986%0.8674%0.737SS**  -132.417254.6-84.1-83.9000115.5
289D30.3Very low34Very low143 Ų143145.6 Ų145.677%0.76574%0.738SS**  trans-129.7-167.5-175.2-15517.1000109.1
290P49.8Very low34.3Very low103 Ų103138.4 Ų138.467%0.66972%0.724SS**  -118.7-169.3-109.739.5-22.9000114.4
291C28.6Very low34.3Very low100 Ų100140.2 Ų140.268%0.67673%0.729SS**  135.5138.4125.4-157.20000115.6
292N26.8Very low34Very low148 Ų148134.7 Ų134.779%0.79172%0.716SS**  trans65.9156.7150.3-87.6-8.3000120.1
293S36.2Very low34.1Very low85 Ų85131.8 Ų131.859%0.59472%0.716SS**  cis-169.1167-4.540.40000112.2
294V32.8Very low34.2Very low111 Ų111132.8 Ų132.867%0.67372%0.721SS**  trans62.6124.3159.2-66.80000118.6
295E32Very low34.4Very low161 Ų161132 Ų13275%0.75272%0.723SS**  71.4155.1100.5-55.7177.2143.400114.2
296F26.3Very low34.6Very low172 Ų172135.5 Ų135.575%0.75473%0.728SS**  cis-141.8-176.922.7-133.4-88.1000112.8
297L37.9Very low34.5Very low143 Ų143135 Ų13575%0.74973%0.728SS**  trans-62.9150.1-169-62.1170.2000118.5
298D34.1Very low34.7Very low144 Ų144134.3 Ų134.377%0.7773%0.731SS**  51.7127125.8-16336.8000122
299L37.5Very low34.9Very low151 Ų151132.1 Ų132.179%0.79173%0.726SS**  -178145.6113-168.357.7000111
300A38.5Very low35.1Very low69 Ų69130.5 Ų130.557%0.5773%0.726SS**  trans-80.8162.1174.800000113.2
301H34.8Very low34.6Very low171 Ų171131.2 Ų131.279%0.79273%0.733SS**  176.8119.8119.6-100.7-73.7000115.6
302S31.5Very low35.3Very low89 Ų89134.7 Ų134.762%0.62274%0.742SS**  trans32.3125.9138.351.10000123.9
303S38.4Very low35.7Very low97 Ų97131.2 Ų131.268%0.67874%0.742SS**  89.4142.1127.4-67.80000123.1
304E33.9Very low36Very low182 Ų182136.4 Ų136.485%0.8576%0.756SS**  trans69.8142.5146.3-75155.4-119.600119.1
305S38.1Very low36.2Very low87 Ų87140 Ų14061%0.60877%0.766SS**  cis-164.2178.8-6.157.60000112
306Q38.9Very low36.8Very low175 Ų175140.2 Ų140.282%0.81877%0.771SS**  trans72.5116.1161.3-67.6173.57.900117.3
307E35.4Very low37.7Very low165 Ų165138.8 Ų138.877%0.77177%0.772SS**  86.810955-78.3-77.4152.500113.3
308T35.1Very low37.7Very low129 Ų129139.3 Ų139.379%0.79178%0.775SS**  trans-174.8119.413415.20000113.1
309I35.8Very low38.2Very low149 Ų149139.2 Ų139.276%0.76477%0.774SS**  trans13.5151.4140.973.5-177.3000120.3
310S34.6Very low38.8Very low110 Ų110136.7 Ų136.777%0.76977%0.769SS**  cis-165.1150.610.6-147.80000112.3
311S40.3Very low39Very low117 Ų117141.2 Ų141.282%0.81878%0.778SS**  -167138128.2-166.60000110.7
312M42.8Very low39.5Very low173 Ų173140.6 Ų140.685%0.85278%0.776SS**  trans-88.1159.4166.8-61.7-11265.400109.8
313G34Very low40.2Very low76 Ų76144.9 Ų144.978%0.78478%0.778SS**  trans173.4105.6178.100000109.5
314E43.6Very low40.5Very low194 Ų194144.8 Ų144.891%0.90777%0.773SS**  trans-90.3128.9-167.4-60.8164.1134.900111.3
315Q35.8Very low41.1Very low186 Ų186142.1 Ų142.187%0.86977%0.765SS**  trans-14877.5152.1-154.8162.34.600111.2D317Q315-D317 PolarHBondContact O-N 3.14Å
316L46.3Very low41.5Very low166 Ų166141 Ų14187%0.86975%0.754SS**  trans-65.4109.6154.7-126.183.9000106.8
317D43.5Very low42.1Very low142 Ų142139.6 Ų139.676%0.75975%0.748SS**  trans173.274.2153.1-92-22.5000110Q315Q315-D317 PolarHBondContact O-N 3.14Å
318N37.8Very low42.8Very low154 Ų154137.5 Ų137.582%0.82474%0.742SS**  trans-160.145.2170.5-120.9-94.4000112.5
319L45.4Very low43.6Very low141 Ų141137 Ų13774%0.73873%0.733SS**  trans-127.420.6-177.8-99.2169.9000113.8
320S50.8Low44.6Very low99 Ų99134 Ų13469%0.69272%0.715SS**SBendtrans-105.4-23.3-178.2-163.40000114.9
321E43Very low45.7Very low163 Ų163133.8 Ų133.876%0.76271%0.705SS**SBendtrans-91.1-25.6-174.1-62.7-175.3151.600112.7R323E321-R323 PolarHBondContact O-N 2.93Å
322Q45.2Very low46.7Very low159 Ų159132 Ų13274%0.74369%0.692SS**THydrogen-bonded Turntrans-76.558.6175.1-161.6-17419.100112.4
323R46.3Very low47.8Very low179 Ų179127.8 Ų127.868%0.67567%0.67SS**THydrogen-bonded Turntrans-139-20.8175.7-63-170.2-174.7-145.70.2114.7E321 T326E321-R323 PolarHBondContact O-N 2.93Å; R323-T326 PolarHBondContact O-OG1 3.13Å
324T44.2Very low49.4Very low94 Ų94126.8 Ų126.858%0.57765%0.647SS**Hα-helixtrans-88.3-28.9179.146.80000113.6
325D45.2Very low50.7Low126 Ų126121.4 Ų121.467%0.67462%0.624SS**Hα-helixtrans-82.2-21.2-171.4-66.8-4000113.5
326T48Very low52.7Low63 Ų63119.5 Ų119.539%0.38762%0.619SS.*Hα-helixtrans-69.4-48.7175.242.20000111.6R323 N328 M329 E330R323-T326 PolarHBondContact O-OG1 3.13Å; T326-N328 VanDerWaalsContact C-N 3.26Å; T326-N328 PolarHBondContact O-N 3.49Å; T326-N328 VanDerWaalsContact O-N 3.14Å; T326-M329 WeakPolarHBondContact O-CA 3.27Å; T326-M329 WeakPolarHBondContact O-CB 3.24Å; T326-M329 PolarHBondContact O-N 2.81Å; T326-E330 VanDerWaalsContact O-CD 3.31Å; T326-E330 PolarHBondContact O-N 2.73Å
327E50.1Low54.8Low146 Ų146116 Ų11668%0.68260%0.597SS**Hα-helixtrans-60.3-34.3-171.3-58.5-170.5143.800112.7
328N50.8Low57.3Low121 Ų121112.3 Ų112.365%0.64758%0.58SS**Hα-helixtrans-67.9-31.8173.1-87.4-46000113.6T326 C332T326-N328 VanDerWaalsContact C-N 3.26Å; T326-N328 PolarHBondContact O-N 3.49Å; T326-N328 VanDerWaalsContact O-N 3.14Å; N328-C332 PolarHBondContact O-SG 3.02Å; N328-C332 VanDerWaalsContact O-SG 3.39Å
329M52.4Low60.1Low120 Ų120105 Ų10559%0.59154%0.541SS*.Hα-helixtrans-79-28.7-177.7-162.4174.366.100112.2T326 Q333T326-M329 WeakPolarHBondContact O-CA 3.27Å; T326-M329 WeakPolarHBondContact O-CB 3.24Å; T326-M329 PolarHBondContact O-N 2.81Å; M329-Q333 WeakPolarHBondContact O-CG 3.16Å; M329-Q333 PolarHBondContact O-NE2 2.86Å
330E56.6Low62.4Low86 Ų86100.9 Ų100.940%0.40252%0.524SS..Hα-helixtrans-65.5-39.7171.4-86.773.2-95.600112.3T326 Q333 N334T326-E330 VanDerWaalsContact O-CD 3.31Å; T326-E330 PolarHBondContact O-N 2.73Å; E330-Q333 WeakPolarHBondContact O-CB 3.23Å; E330-Q333 PolarHBondContact O-N 2.95Å; E330-Q333 VanDerWaalsContact O-N 3.11Å; E330-N334 PolarHBondContact O-N 2.91Å
331D58.5Low64.6Low105 Ų105100.3 Ų100.356%0.56151%0.513SS*.Hα-helixtrans-76-29.1-172.2-136.523.5000113Q333 N334 L335D331-Q333 VanDerWaalsContact C-N 3.27Å; D331-Q333 PolarHBondContact O-N 3.15Å; D331-N334 WeakPolarHBondContact O-CB 3.34Å; D331-N334 PolarHBondContact O-N 3.13Å; D331-N334 PolarHBondContact OD1-ND2 2.87Å; D331-L335 PolarHBondContact O-N 3.33Å
332C59.4Low67.1Low78 Ų7894.4 Ų94.453%0.52749%0.489SS..Hα-helixtrans-58-40.2166.2-64.20000111.8N328 N334 L335 L336N328-C332 PolarHBondContact O-SG 3.02Å; N328-C332 VanDerWaalsContact O-SG 3.39Å; C332-N334 VanDerWaalsContact C-N 3.29Å; C332-N334 PolarHBondContact O-N 2.91Å; C332-L335 PolarHBondContact O-N 3.37Å; C332-L336 PolarHBondContact O-N 3.48Å
333Q66.4Low69.5Low86 Ų8694 Ų9440%0.40249%0.487SS..Hα-helixtrans-68.4-28.1175.7-58.5166.65100112M329 E330 D331 L335 L336 K337M329-Q333 WeakPolarHBondContact O-CG 3.16Å; M329-Q333 PolarHBondContact O-NE2 2.86Å; E330-Q333 WeakPolarHBondContact O-CB 3.23Å; E330-Q333 PolarHBondContact O-N 2.95Å; E330-Q333 VanDerWaalsContact O-N 3.11Å; D331-Q333 VanDerWaalsContact C-N 3.27Å; D331-Q333 PolarHBondContact O-N 3.15Å; Q333-L335 VanDerWaalsContact C-N 3.3Å; Q333-L335 PolarHBondContact O-N 2.98Å; Q333-L336 PolarHBondContact O-N 2.82Å; Q333-K337 WeakPolarHBondContact O-CG 3.43Å; Q333-K337 PolarHBondContact O-N 3.4Å; Q333-K337 VanDerWaalsContact O-N 3.13Å
334N69.3Low71.8Confident54 Ų5494.5 Ų94.529%0.28949%0.494SS..Hα-helixtrans-68.1-27.2176.4-70.7-34.4000113.6E330 D331 C332 K337 R347E330-N334 PolarHBondContact O-N 2.91Å; D331-N334 WeakPolarHBondContact O-CB 3.34Å; D331-N334 PolarHBondContact O-N 3.13Å; D331-N334 PolarHBondContact OD1-ND2 2.87Å; C332-N334 VanDerWaalsContact C-N 3.29Å; C332-N334 PolarHBondContact O-N 2.91Å; N334-K337 PolarHBondContact OD1-NZ 3.14Å; N334-R347 PolarHBondContact O-NH1 2.86Å
335L70.6Confident74.2Confident82 Ų8294.7 Ų94.743%0.42948%0.484SS..Hα-helixtrans-79-35.7173.3-61.5175.4000112.4D331 C332 Q333 L359 I391D331-L335 PolarHBondContact O-N 3.33Å; C332-L335 PolarHBondContact O-N 3.37Å; Q333-L335 VanDerWaalsContact C-N 3.3Å; Q333-L335 PolarHBondContact O-N 2.98Å; L335-L359 HydrophobicContact CD2-CD2 4.24Å; L335-I391 HydrophobicContact CB-CD1 4.47Å; L335-I391 HydrophobicContact CD1-CD1 4.3Å
336L78Confident76.6Confident146 Ų14692.9 Ų92.976%0.76448%0.479SS*.Hα-helixtrans-72.6-24.3178-66.3174.3000113.6C332 Q333C332-L336 PolarHBondContact O-N 3.48Å; Q333-L336 PolarHBondContact O-N 2.82Å
337K90.1Very high78.9Confident93 Ų9392.3 Ų92.340%0.40447%0.47SS..SBendtrans-59137.2175.7-77.4164.2-159.91690111Q333 N334 R347Q333-K337 WeakPolarHBondContact O-CG 3.43Å; Q333-K337 PolarHBondContact O-N 3.4Å; Q333-K337 VanDerWaalsContact O-N 3.13Å; N334-K337 PolarHBondContact OD1-NZ 3.14Å; K337-R347 WeakPolarHBondContact O-CD 3.39Å; K337-R347 WeakPolarHBondContact O-CG 3.2Å; K337-R347 PolarHBondContact O-NE 3.45Å
338P95.1Very high81.1Confident64 Ų6486.6 Ų86.642%0.41644%0.444SS..PPolyproline II helixtrans-59.4166.4175.9-27.836.1000115.5S340 E343 R347P338-S340 PolarHBondContact O-N 3.36Å; P338-E343 WeakPolarHBondContact CB-O 3.13Å; P338-R347 PolarHBondContact O-NE 3.12Å; P338-R347 PolarHBondContact O-NH2 3.43Å; P338-R347 VanDerWaalsContact O-NH2 3.13Å
339C96.4Very high83.3Confident0 Ų080.8 Ų80.80%041%0.413CS..PPolyproline II helixtrans-54.6119.7172.7165.50000112.2L341 C342 E343 R345 C362C339-L341 PolarHBondContact O-N 3.11Å; C339-C342 PolarHBondContact O-N 3.13Å; C339-C342 VanDerWaalsContact O-N 3.14Å; C339-E343 WeakPolarHBondContact O-CA 3.34Å; C339-E343 PolarHBondContact O-N 3.45Å; C339-R345 VanDerWaalsContact CB-O 3.23Å; C339-R345 WeakPolarHBondContact CB-O 3.19Å; C339-R345 PolarHBondContact N-O 3.36Å; C339-C362 HydrophobicContact CB-CB 3.87Å; C339-C362 VanDerWaalsContact CB-N 3.31Å; C339-C362 PolarHBondContact SG-N 2.93Å
340S94.8Very high85.5Confident54 Ų5476.9 Ų76.938%0.37840%0.395SS..THydrogen-bonded Turntrans-65.2-2.4-174.861.40000116.5P338 V360P338-S340 PolarHBondContact O-N 3.36Å; S340-V360 PolarHBondContact N-O 3.34Å; S340-V360 PolarHBondContact OG-O 2.8Å; S340-V360 VanDerWaalsContact OG-O 3.13Å
341L95.6Very high87.5Confident88 Ų8872.8 Ų72.846%0.46138%0.376SS..THydrogen-bonded Turntrans-114.9-3178.6-65-176.3000114.4C339 T361 C365 L369C339-L341 PolarHBondContact O-N 3.11Å; L341-T361 HydrophobicContact CB-CG2 4.4Å; L341-T361 HydrophobicContact CD1-CG2 3.71Å; L341-T361 HydrophobicContact CG-CG2 3.86Å; L341-C365 HydrophobicContact CB-CB 4.16Å; L341-C365 HydrophobicContact CD1-CB 4.32Å; L341-L369 HydrophobicContact CD1-CD1 3.77Å; L341-L369 HydrophobicContact CD1-CD2 3.98Å; L341-L369 HydrophobicContact CD1-CG 3.94Å
342C96.4Very high89.4Confident38 Ų3869.3 Ų69.326%0.25736%0.357SS..THydrogen-bonded Turntrans-154.6-10.2178.774.10000115.4C339 K344C339-C342 PolarHBondContact O-N 3.13Å; C339-C342 VanDerWaalsContact O-N 3.14Å; C342-K344 WeakPolarHBondContact O-CG 3.32Å; C342-K344 PolarHBondContact O-N 3.33Å
343E95.4Very high91.1Very high152 Ų15266.1 Ų66.171%0.7133%0.334SS*.SBendtrans58.8-5170.7-60.7175.9179.900117P338 C339P338-E343 WeakPolarHBondContact CB-O 3.13Å; C339-E343 WeakPolarHBondContact O-CA 3.34Å; C339-E343 PolarHBondContact O-N 3.45Å
344K94.4Very high92.5Very high188 Ų18864.1 Ų64.182%0.81734%0.337SS*.SBendtrans-99.6-7.3-177-66.9172.5-179.2-168.80115.4C342C342-K344 WeakPolarHBondContact O-CG 3.32Å; C342-K344 PolarHBondContact O-N 3.33Å
345R95.6Very high93.8Very high99 Ų9973.8 Ų73.837%0.37437%0.369SS..SBendtrans-135.5150.2-172.7-72.4-171.2175.496.13111.4D96 C339 C362D96-R345 IonicContact OD2-NH2 2.72Å; D96-R345 PolarHBondContact OD2-NH2 3.32Å; C339-R345 VanDerWaalsContact CB-O 3.23Å; C339-R345 WeakPolarHBondContact CB-O 3.19Å; C339-R345 PolarHBondContact N-O 3.36Å; R345-C362 HydrophobicContact CB-CB 3.61Å
346P95.3Very high95Very high87 Ų8773.7 Ų73.757%0.56537%0.372SS*.  trans-64.8168.2177.928.9-37000112.3D348 C362P346-D348 VanDerWaalsContact C-N 3.27Å; P346-D348 PolarHBondContact O-N 3.43Å; P346-C362 VanDerWaalsContact O-CA 3.28Å; P346-C362 WeakPolarHBondContact O-CA 3.47Å; P346-C362 WeakPolarHBondContact O-CB 3.16Å
347R96.1Very high95.9Very high52 Ų5268.2 Ų68.220%0.19635%0.35CS..SBendtrans-82.670.1175-67.3172.3179.8-165.1-3.9110.7N334 K337 P338 L359N334-R347 PolarHBondContact O-NH1 2.86Å; K337-R347 WeakPolarHBondContact O-CD 3.39Å; K337-R347 WeakPolarHBondContact O-CG 3.2Å; K337-R347 PolarHBondContact O-NE 3.45Å; P338-R347 PolarHBondContact O-NE 3.12Å; P338-R347 PolarHBondContact O-NH2 3.43Å; P338-R347 VanDerWaalsContact O-NH2 3.13Å; R347-L359 HydrophobicContact CB-CG 4.26Å; R347-L359 WeakPolarHBondContact O-CD1 3.43Å; R347-L359 WeakPolarHBondContact O-CG 3.13Å
348D96.7Very high96.3Very high25 Ų2566.2 Ų66.213%0.13434%0.343CS..  trans-98.82.7177.976.8-34000114P346 C362 F363 K388 V389P346-D348 VanDerWaalsContact C-N 3.27Å; P346-D348 PolarHBondContact O-N 3.43Å; D348-C362 WeakPolarHBondContact OD1-CA 3.5Å; D348-C362 WeakPolarHBondContact OD1-CB 3.4Å; D348-F363 PolarHBondContact OD1-N 2.92Å; D348-K388 CarbonylContact O-C 3.52Å; D348-K388 VanDerWaalsContact O-CA 3.29Å; D348-K388 WeakPolarHBondContact O-CA 3.12Å; D348-K388 VanDerWaalsContact OD2-CE 3.28Å; D348-K388 WeakPolarHBondContact OD2-CE 3.36Å; D348-K388 IonicContact OD2-NZ 3.02Å; D348-K388 PolarHBondContact OD2-NZ 2.81Å; D348-V389 PolarHBondContact O-N 3.26Å
349G97.1Very high96.3Very high0 Ų065.2 Ų65.20%033%0.333CS..EExtended strand (participates in β ladder)trans-113.797.5-17700000113.5T361G349-T361 WeakPolarHBondContact CA-O 3.29Å; G349-T361 PolarHBondContact N-O 3.05Å; G349-T361 PolarHBondContact O-OG1 2.93Å
350N97.7Very high96.3Very high38 Ų3866.4 Ų66.420%0.20334%0.341CS..EExtended strand (participates in β ladder)trans-81.3123.5176.5-165-4.8000110.8I352 G357 H358 L359 V386 I387 V389N350-I352 HydrophobicContact CB-CD1 4.25Å; N350-G357 WeakPolarHBondContact OD1-CA 3.26Å; N350-H358 PolarHBondContact OD1-N 3.17Å; N350-L359 HydrophobicContact CB-CD1 3.99Å; N350-V386 WeakPolarHBondContact O-CA 3.39Å; N350-I387 PolarHBondContact N-O 2.68Å; N350-I387 PolarHBondContact O-N 2.78Å; N350-V389 HydrophobicContact CB-CG2 3.65Å
351I98.2Very high96.4Very high0 Ų063.8 Ų63.80%032%0.323CS..EExtended strand (participates in β ladder)trans-94.5107.1179.6-65.4174.8000108.5H353 G357 H358 T361 A366 L369 C376 P377 I383I351-H353 PolarHBondContact O-CD2 3.11Å; I351-G357 CarbonylContact O-C 3.59Å; I351-G357 WeakPolarHBondContact O-CA 3.33Å; I351-H358 PolarHBondContact N-O 3.37Å; I351-H358 VanDerWaalsContact N-O 3.07Å; I351-H358 PolarHBondContact O-N 3.11Å; I351-T361 HydrophobicContact CD1-CG2 4.44Å; I351-T361 WeakPolarHBondContact CD1-OG1 3.37Å; I351-A366 HydrophobicContact CD1-CB 4.26Å; I351-A366 HydrophobicContact CG1-CB 3.81Å; I351-L369 HydrophobicContact CD1-CD1 3.72Å; I351-C376 HydrophobicContact CG2-CB 3.95Å; I351-P377 HydrophobicContact CD1-CG 4.16Å; I351-I383 HydrophobicContact CD1-CD1 4.44Å; I351-I383 HydrophobicContact CG2-CB 4.3Å; I351-I383 HydrophobicContact CG2-CD1 3.73Å; I351-I383 HydrophobicContact CG2-CG1 3.63Å; I351-I383 HydrophobicContact CG2-CG2 3.9Å
352I98.1Very high96.5Very high32 Ų3259.6 Ų59.616%0.16430%0.301CS..EExtended strand (participates in β ladder)trans-95.1135.4-174-50-58.7000111.6N350 Q384 L385 I387N350-I352 HydrophobicContact CB-CD1 4.25Å; I352-Q384 PolarHBondContact O-N 3.26Å; I352-Q384 VanDerWaalsContact O-N 3.12Å; I352-L385 HydrophobicContact CB-CB 4.12Å; I352-L385 HydrophobicContact CG1-CB 4.45Å; I352-L385 PolarHBondContact N-O 2.88Å; I352-L385 PolarHBondContact O-N 3.12Å; I352-I387 HydrophobicContact CD1-CD1 4.4Å; I352-I387 HydrophobicContact CG1-CD1 4.03Å; I352-I387 HydrophobicContact CG1-CG1 4.16Å
353H96.7Very high96.6Very high10 Ų1060.5 Ų60.55%0.04630%0.3CS..EExtended strand (participates in β ladder)trans-144.1103.4177.24998.3000109.5I351 R355 T356 H358 C379 K381 E382I351-H353 PolarHBondContact O-CD2 3.11Å; H353-R355 PolarHBondContact O-N 2.87Å; H353-T356 PolarHBondContact CE1-OG1 3.16Å; H353-T356 PolarHBondContact N-O 2.76Å; H353-T356 PolarHBondContact O-N 2.83Å; H353-H358 AromaticContact CE1-CE1 3.63Å; H353-H358 AromaticContact CE1-ND1 3.79Å; H353-H358 AromaticContact NE2-CE1 3.44Å; H353-H358 PolarHBondContact NE2-CE1 3.46Å; H353-H358 AromaticContact NE2-ND1 3.13Å; H353-H358 PolarHBondContact NE2-ND1 3.45Å; H353-H358 VanDerWaalsContact NE2-ND1 3.13Å; H353-C379 VanDerWaalsContact CE1-SG 3.54Å; H353-K381 HydrophobicContact CB-CB 4.04Å; H353-K381 HydrophobicContact CB-CD 4.5Å; H353-K381 WeakPolarHBondContact ND1-CD 3.37Å; H353-E382 WeakPolarHBondContact CB-O 3.45Å
354G95Very high96.7Very high45 Ų4557.1 Ų57.146%0.46428%0.284SS..THydrogen-bonded Turntrans67.4-122.8-172.100000111.6
355R96.1Very high96.9Very high257 Ų25748.6 Ų48.697%0.9725%0.248SC*.THydrogen-bonded Turntrans-95.42.4-179.4-63.5-173.5-178.5-176.50.5114.4H353H353-R355 PolarHBondContact O-N 2.87Å
356T97.1Very high97Very high80 Ų8043.9 Ų43.949%0.49123%0.231SC..EExtended strand (participates in β ladder)trans-128164.9179.562.30000112.1H353H353-T356 PolarHBondContact CE1-OG1 3.16Å; H353-T356 PolarHBondContact N-O 2.76Å; H353-T356 PolarHBondContact O-N 2.83Å
357G96.8Very high97.1Very high30 Ų3047 Ų4731%0.30923%0.231SC..EExtended strand (participates in β ladder)trans-145160.6-179.900000112.6N350 I351N350-G357 WeakPolarHBondContact OD1-CA 3.26Å; I351-G357 CarbonylContact O-C 3.59Å; I351-G357 WeakPolarHBondContact O-CA 3.33Å
358H97.1Very high97.2Very high52 Ų5252.2 Ų52.224%0.24125%0.251CS..EExtended strand (participates in β ladder)trans-122.9122.1175.1-67.1116.6000110.9N350 I351 H353 V360 C376 I378 C379N350-H358 PolarHBondContact OD1-N 3.17Å; I351-H358 PolarHBondContact N-O 3.37Å; I351-H358 VanDerWaalsContact N-O 3.07Å; I351-H358 PolarHBondContact O-N 3.11Å; H353-H358 AromaticContact CE1-CE1 3.63Å; H353-H358 AromaticContact CE1-ND1 3.79Å; H353-H358 AromaticContact NE2-CE1 3.44Å; H353-H358 PolarHBondContact NE2-CE1 3.46Å; H353-H358 AromaticContact NE2-ND1 3.13Å; H353-H358 PolarHBondContact NE2-ND1 3.45Å; H353-H358 VanDerWaalsContact NE2-ND1 3.13Å; H358-V360 PolarHBondContact O-N 2.86Å; H358-C376 PolarHBondContact ND1-SG 2.77Å; H358-I378 HydrophobicContact CB-CG1 4.25Å; H358-C379 PolarHBondContact CE1-SG 3.2Å
359L96.1Very high97.3Very high42 Ų4252.5 Ų52.522%0.2225%0.252CS..EExtended strand (participates in β ladder)trans-10170-179.3-169.759.9000111.2L335 R347 N350 V389L335-L359 HydrophobicContact CD2-CD2 4.24Å; R347-L359 HydrophobicContact CB-CG 4.26Å; R347-L359 WeakPolarHBondContact O-CD1 3.43Å; R347-L359 WeakPolarHBondContact O-CG 3.13Å; N350-L359 HydrophobicContact CB-CD1 3.99Å; L359-V389 HydrophobicContact CD1-CB 4.43Å; L359-V389 HydrophobicContact CD1-CG2 4.3Å; L359-V389 HydrophobicContact CD2-CG1 4.34Å
360V96Very high97.3Very high25 Ų2556.6 Ų56.615%0.15227%0.27CS..EExtended strand (participates in β ladder)trans-115.9-7.2-177.2-62.80000113.8S340 H358 P377 I378S340-V360 PolarHBondContact N-O 3.34Å; S340-V360 PolarHBondContact OG-O 2.8Å; S340-V360 VanDerWaalsContact OG-O 3.13Å; H358-V360 PolarHBondContact O-N 2.86Å; V360-P377 HydrophobicContact CG2-CG 3.97Å; V360-I378 HydrophobicContact CB-CD1 4.5Å; V360-I378 HydrophobicContact CG1-CD1 4.07Å; V360-I378 HydrophobicContact CG1-CG1 4.04Å; V360-I378 HydrophobicContact CG2-CD1 4.09Å; V360-I378 HydrophobicContact CG2-CG1 3.91Å
361T97.1Very high97.3Very high0 Ų064.1 Ų64.10%030%0.301CS..EExtended strand (participates in β ladder)trans-127.3158.2-173.641.30000111.8L341 G349 I351 C365L341-T361 HydrophobicContact CB-CG2 4.4Å; L341-T361 HydrophobicContact CD1-CG2 3.71Å; L341-T361 HydrophobicContact CG-CG2 3.86Å; G349-T361 WeakPolarHBondContact CA-O 3.29Å; G349-T361 PolarHBondContact N-O 3.05Å; G349-T361 PolarHBondContact O-OG1 2.93Å; I351-T361 HydrophobicContact CD1-CG2 4.44Å; I351-T361 WeakPolarHBondContact CD1-OG1 3.37Å; T361-C365 HydrophobicContact CG2-CB 4.37Å
362C97.6Very high97.3Very high0 Ų068 Ų680%033%0.333CS..  trans-73.4156.3162.572.70000110.7C339 R345 P346 D348 H364 C365 A366C339-C362 HydrophobicContact CB-CB 3.87Å; C339-C362 VanDerWaalsContact CB-N 3.31Å; C339-C362 PolarHBondContact SG-N 2.93Å; R345-C362 HydrophobicContact CB-CB 3.61Å; P346-C362 VanDerWaalsContact O-CA 3.28Å; P346-C362 WeakPolarHBondContact O-CA 3.47Å; P346-C362 WeakPolarHBondContact O-CB 3.16Å; D348-C362 WeakPolarHBondContact OD1-CA 3.5Å; D348-C362 WeakPolarHBondContact OD1-CB 3.4Å; C362-H364 PolarHBondContact O-N 2.98Å; C362-C365 PolarHBondContact O-N 2.81Å; C362-C365 VanDerWaalsContact O-N 3.09Å; C362-C365 PolarHBondContact SG-N 3.45Å; C362-C365 VanDerWaalsContact SG-SG 3.67Å; C362-A366 PolarHBondContact O-N 2.93Å
363F98.2Very high97.3Very high57 Ų5769.9 Ų69.925%0.2536%0.36CS..Hα-helixtrans-55.7-36-178.1-179.3-115.9000112.7D348 R367 V386 K388D348-F363 PolarHBondContact OD1-N 2.92Å; F363-R367 HydrophobicContact CD2-CG 4.47Å; F363-R367 HydrophobicContact CE1-CG 4.49Å; F363-R367 HydrophobicContact CE2-CG 4.2Å; F363-R367 HydrophobicContact CZ-CG 4.23Å; F363-R367 WeakPolarHBondContact O-CB 3.16Å; F363-R367 WeakPolarHBondContact O-CG 3.43Å; F363-R367 PolarHBondContact O-N 3.11Å; F363-V386 HydrophobicContact CD2-CG1 3.79Å; F363-V386 HydrophobicContact CE2-CG1 3.95Å; F363-K388 HydrophobicContact CB-CB 4.4Å; F363-K388 HydrophobicContact CB-CG 4.4Å; F363-K388 HydrophobicContact CD1-CB 4.24Å; F363-K388 HydrophobicContact CD1-CD 4.25Å; F363-K388 HydrophobicContact CD2-CB 3.62Å; F363-K388 HydrophobicContact CD2-CG 4.49Å; F363-K388 HydrophobicContact CE1-CB 4.38Å; F363-K388 HydrophobicContact CE2-CB 3.8Å; F363-K388 HydrophobicContact CG-CB 3.85Å; F363-K388 HydrophobicContact CG-CD 4.37Å; F363-K388 HydrophobicContact CG-CG 4.29Å; F363-K388 HydrophobicContact CZ-CB 4.16Å
364H98.3Very high97.3Very high80 Ų8071.1 Ų71.137%0.3737%0.372SS..Hα-helixtrans-65.9-46.7176.2-169.350.8000112.6C362 R367 R368C362-H364 PolarHBondContact O-N 2.98Å; H364-R367 PolarHBondContact O-N 2.96Å; H364-R368 PolarHBondContact NE2-NE 3.14Å; H364-R368 PolarHBondContact NE2-NH2 2.68Å; H364-R368 WeakPolarHBondContact O-CG 3.46Å; H364-R368 PolarHBondContact O-N 3.22Å
365C98.2Very high97.4Very high10 Ų1071.4 Ų71.47%0.06837%0.367CS..Hα-helixtrans-68.3-39.4176.9-71.60000111.9L341 T361 C362 R367 R368 L369L341-C365 HydrophobicContact CB-CB 4.16Å; L341-C365 HydrophobicContact CD1-CB 4.32Å; T361-C365 HydrophobicContact CG2-CB 4.37Å; C362-C365 PolarHBondContact O-N 2.81Å; C362-C365 VanDerWaalsContact O-N 3.09Å; C362-C365 PolarHBondContact SG-N 3.45Å; C362-C365 VanDerWaalsContact SG-SG 3.67Å; C365-R367 PolarHBondContact O-N 2.88Å; C365-R368 WeakPolarHBondContact O-CB 3.44Å; C365-R368 PolarHBondContact O-N 3.18Å; C365-L369 WeakPolarHBondContact O-CG 3.38Å; C365-L369 PolarHBondContact O-N 2.82Å
366A98.1Very high97.5Very high0 Ų059.1 Ų59.10%032%0.321CS..Hα-helixtrans-60.3-44.5173.700000111.9I351 C362 R368 L369 K370 V386I351-A366 HydrophobicContact CD1-CB 4.26Å; I351-A366 HydrophobicContact CG1-CB 3.81Å; C362-A366 PolarHBondContact O-N 2.93Å; A366-R368 PolarHBondContact O-N 3.39Å; A366-L369 PolarHBondContact O-N 3.28Å; A366-K370 PolarHBondContact O-N 3.26Å; A366-V386 HydrophobicContact CB-CB 4.41Å; A366-V386 HydrophobicContact CB-CG1 3.43Å; A366-V386 VanDerWaalsContact CB-CG1 3.43Å; A366-V386 HydrophobicContact CB-CG2 4.04Å
367R98.1Very high97.4Very high153 Ų15356.9 Ų56.958%0.57731%0.307SS*.Hα-helixtrans-63.8-37173.3-76.8-175.171.4-164.15.6112.8F363 H364 C365 K370 K371 V386F363-R367 HydrophobicContact CD2-CG 4.47Å; F363-R367 HydrophobicContact CE1-CG 4.49Å; F363-R367 HydrophobicContact CE2-CG 4.2Å; F363-R367 HydrophobicContact CZ-CG 4.23Å; F363-R367 WeakPolarHBondContact O-CB 3.16Å; F363-R367 WeakPolarHBondContact O-CG 3.43Å; F363-R367 PolarHBondContact O-N 3.11Å; H364-R367 PolarHBondContact O-N 2.96Å; C365-R367 PolarHBondContact O-N 2.88Å; R367-K370 PolarHBondContact O-N 2.9Å; R367-K371 WeakPolarHBondContact O-CB 3.44Å; R367-K371 PolarHBondContact O-N 3.04Å; R367-V386 HydrophobicContact CG-CG1 4.11Å
368R98.3Very high97.4Very high160 Ų16060 Ų6060%0.60432%0.316SS*.Hα-helixtrans-62.3-46.4174.2-77.8175.5170.6-168.4-5.4111.6H364 C365 A366 K370 K371 A372H364-R368 PolarHBondContact NE2-NE 3.14Å; H364-R368 PolarHBondContact NE2-NH2 2.68Å; H364-R368 WeakPolarHBondContact O-CG 3.46Å; H364-R368 PolarHBondContact O-N 3.22Å; C365-R368 WeakPolarHBondContact O-CB 3.44Å; C365-R368 PolarHBondContact O-N 3.18Å; A366-R368 PolarHBondContact O-N 3.39Å; R368-K370 PolarHBondContact O-N 3.04Å; R368-K371 PolarHBondContact O-N 2.83Å; R368-A372 WeakPolarHBondContact O-CB 3.33Å; R368-A372 PolarHBondContact O-N 3.21Å
369L97.8Very high97.4Very high31 Ų3159.8 Ų59.816%0.16232%0.319CS..Hα-helixtrans-56.1-51.5173.9-69.9173.5000111.4L341 I351 C365 A366 K371 A372 G373 A374 P377 I383L341-L369 HydrophobicContact CD1-CD1 3.77Å; L341-L369 HydrophobicContact CD1-CD2 3.98Å; L341-L369 HydrophobicContact CD1-CG 3.94Å; I351-L369 HydrophobicContact CD1-CD1 3.72Å; C365-L369 WeakPolarHBondContact O-CG 3.38Å; C365-L369 PolarHBondContact O-N 2.82Å; A366-L369 PolarHBondContact O-N 3.28Å; L369-K371 VanDerWaalsContact C-N 3.34Å; L369-K371 PolarHBondContact O-N 3.19Å; L369-A372 PolarHBondContact O-N 3.02Å; L369-A372 VanDerWaalsContact O-N 3.11Å; L369-G373 PolarHBondContact O-N 3.09Å; L369-A374 HydrophobicContact CB-CB 4.26Å; L369-A374 HydrophobicContact CD2-CB 3.84Å; L369-A374 PolarHBondContact O-N 3.24Å; L369-P377 HydrophobicContact CD1-CG 4.25Å; L369-I383 HydrophobicContact CB-CD1 3.7Å; L369-I383 HydrophobicContact CD1-CD1 4.2Å
370K97.8Very high97.4Very high87 Ų8764.8 Ų64.838%0.37834%0.339SS..Hα-helixtrans-60.3-41.4179.8-160-166.6-157.2-45.30112.4A366 R367 R368 A372 G373 I383 Q384 V386A366-K370 PolarHBondContact O-N 3.26Å; R367-K370 PolarHBondContact O-N 2.9Å; R368-K370 PolarHBondContact O-N 3.04Å; K370-A372 VanDerWaalsContact C-N 3.3Å; K370-A372 PolarHBondContact O-N 3.49Å; K370-G373 PolarHBondContact O-N 3.29Å; K370-I383 HydrophobicContact CB-CG2 3.99Å; K370-I383 HydrophobicContact CD-CG2 4.32Å; K370-I383 WeakPolarHBondContact CE-O 3.44Å; K370-I383 HydrophobicContact CG-CB 4.24Å; K370-I383 HydrophobicContact CG-CG2 3.81Å; K370-I383 PolarHBondContact NZ-O 3.27Å; K370-Q384 VanDerWaalsContact CE-C 3.44Å; K370-Q384 WeakPolarHBondContact CE-O 3.41Å; K370-Q384 PolarHBondContact NZ-O 3.37Å; K370-V386 HydrophobicContact CB-CG2 4.11Å; K370-V386 HydrophobicContact CD-CG2 4.23Å
371K97.9Very high97.5Very high196 Ų19669.2 Ų69.285%0.85236%0.357SS*.Hα-helixtrans-66.4-31.5176.9-173.1179.4177.9-1740112.3R367 R368 L369 G373R367-K371 WeakPolarHBondContact O-CB 3.44Å; R367-K371 PolarHBondContact O-N 3.04Å; R368-K371 PolarHBondContact O-N 2.83Å; L369-K371 VanDerWaalsContact C-N 3.34Å; L369-K371 PolarHBondContact O-N 3.19Å; K371-G373 VanDerWaalsContact C-N 3.28Å; K371-G373 PolarHBondContact O-N 3.26Å
372A97.7Very high97.6Very high81 Ų8176.5 Ų76.567%0.66939%0.391SS*.THydrogen-bonded Turntrans-820.8177.500000114R368 L369 K370 A374R368-A372 WeakPolarHBondContact O-CB 3.33Å; R368-A372 PolarHBondContact O-N 3.21Å; L369-A372 PolarHBondContact O-N 3.02Å; L369-A372 VanDerWaalsContact O-N 3.11Å; K370-A372 VanDerWaalsContact C-N 3.3Å; K370-A372 PolarHBondContact O-N 3.49Å; A372-A374 PolarHBondContact O-N 2.96Å
373G96.6Very high97.6Very high72 Ų7276.8 Ų76.874%0.74239%0.392SS*.THydrogen-bonded Turntrans66.414.3-172.700000113.8L369 K370 K371L369-G373 PolarHBondContact O-N 3.09Å; K370-G373 PolarHBondContact O-N 3.29Å; K371-G373 VanDerWaalsContact C-N 3.28Å; K371-G373 PolarHBondContact O-N 3.26Å
374A97.6Very high97.6Very high35 Ų3579.5 Ų79.529%0.28941%0.406SS..PPolyproline II helixtrans-74.3146.7-17800000111.3L369 A372 I383L369-A374 HydrophobicContact CB-CB 4.26Å; L369-A374 HydrophobicContact CD2-CB 3.84Å; L369-A374 PolarHBondContact O-N 3.24Å; A372-A374 PolarHBondContact O-N 2.96Å; A374-I383 VanDerWaalsContact O-CD1 3.24Å; A374-I383 WeakPolarHBondContact O-CD1 3.3Å; A374-I383 WeakPolarHBondContact O-CG1 3.43Å
375S97.9Very high97.5Very high51 Ų5180 Ų8036%0.35741%0.411SS..PPolyproline II helixtrans-78.9164.6175.863.10000112.7K380 K381S375-K380 WeakPolarHBondContact CB-O 3.23Å; S375-K381 CarbonylContact C-O 3.54Å; S375-K381 WeakPolarHBondContact CA-O 3.48Å; S375-K381 WeakPolarHBondContact CB-O 3.33Å
376C97.5Very high97.5Very high0 Ų080.3 Ų80.30%041%0.412CS..PPolyproline II helixtrans-55.9126.9177.8-177.60000110.4I351 H358 I378 C379 K380 K381 I383I351-C376 HydrophobicContact CG2-CB 3.95Å; H358-C376 PolarHBondContact ND1-SG 2.77Å; C376-I378 PolarHBondContact O-N 3.11Å; C376-I378 VanDerWaalsContact O-N 3.08Å; C376-C379 VanDerWaalsContact SG-SG 3.68Å; C376-K380 VanDerWaalsContact O-CA 3.27Å; C376-K380 WeakPolarHBondContact O-CA 3.47Å; C376-K380 PolarHBondContact O-N 3.16Å; C376-K381 WeakPolarHBondContact CB-O 3.49Å; C376-K381 PolarHBondContact N-O 3.49Å; C376-I383 HydrophobicContact CB-CG1 4.48Å
377P95.9Very high97.5Very high32 Ų3284 Ų8421%0.20843%0.431CS..THydrogen-bonded Turntrans-62.3-26.6-17123.1-33.7000113.1I351 V360 L369 K380I351-P377 HydrophobicContact CD1-CG 4.16Å; V360-P377 HydrophobicContact CG2-CG 3.97Å; L369-P377 HydrophobicContact CD1-CG 4.25Å; P377-K380 PolarHBondContact O-NZ 2.93Å
378I96.6Very high97.5Very high96 Ų9681 Ų8149%0.49242%0.422SS..THydrogen-bonded Turntrans-82.7-71.3178.9-51.8-52.9000110.9H358 V360 C376H358-I378 HydrophobicContact CB-CG1 4.25Å; V360-I378 HydrophobicContact CB-CD1 4.5Å; V360-I378 HydrophobicContact CG1-CD1 4.07Å; V360-I378 HydrophobicContact CG1-CG1 4.04Å; V360-I378 HydrophobicContact CG2-CD1 4.09Å; V360-I378 HydrophobicContact CG2-CG1 3.91Å; C376-I378 PolarHBondContact O-N 3.11Å; C376-I378 VanDerWaalsContact O-N 3.08Å
379C96.8Very high97.4Very high47 Ų4775.2 Ų75.232%0.31841%0.405SS..THydrogen-bonded Turntrans-92.31-169.864.40000115.7H353 H358 C376 K381H353-C379 VanDerWaalsContact CE1-SG 3.54Å; H358-C379 PolarHBondContact CE1-SG 3.2Å; C376-C379 VanDerWaalsContact SG-SG 3.68Å; C379-K381 PolarHBondContact O-N 2.8Å
380K96.6Very high97.3Very high147 Ų14781.5 Ų81.564%0.63943%0.431SS*.  trans56.712.6-178.6-45.5-52.2-175.5-168.30116.4S375 C376 P377S375-K380 WeakPolarHBondContact CB-O 3.23Å; C376-K380 VanDerWaalsContact O-CA 3.27Å; C376-K380 WeakPolarHBondContact O-CA 3.47Å; C376-K380 PolarHBondContact O-N 3.16Å; P377-K380 PolarHBondContact O-NZ 2.93Å
381K97.7Very high96.9Very high118 Ų11883.6 Ų83.651%0.51345%0.445SS..  trans-73.3156170.5-69174.9170.4-177.40112H353 S375 C376 C379H353-K381 HydrophobicContact CB-CB 4.04Å; H353-K381 HydrophobicContact CB-CD 4.5Å; H353-K381 WeakPolarHBondContact ND1-CD 3.37Å; S375-K381 CarbonylContact C-O 3.54Å; S375-K381 WeakPolarHBondContact CA-O 3.48Å; S375-K381 WeakPolarHBondContact CB-O 3.33Å; C376-K381 WeakPolarHBondContact CB-O 3.49Å; C376-K381 PolarHBondContact N-O 3.49Å; C379-K381 PolarHBondContact O-N 2.8Å
382E97.8Very high96.4Very high153 Ų15382.3 Ų82.372%0.71547%0.471SS*.  trans-61.8141.7176.9-169.1-172.4168.200112.6H353 Q384H353-E382 WeakPolarHBondContact CB-O 3.45Å; E382-Q384 PolarHBondContact O-N 3.23Å
383I98.3Very high96.3Very high6 Ų682.4 Ų82.43%0.03146%0.461CS..  trans-8892.9-179.7-55.2-177.7000110.7I351 L369 K370 A374 C376 V386I351-I383 HydrophobicContact CD1-CD1 4.44Å; I351-I383 HydrophobicContact CG2-CB 4.3Å; I351-I383 HydrophobicContact CG2-CD1 3.73Å; I351-I383 HydrophobicContact CG2-CG1 3.63Å; I351-I383 HydrophobicContact CG2-CG2 3.9Å; L369-I383 HydrophobicContact CB-CD1 3.7Å; L369-I383 HydrophobicContact CD1-CD1 4.2Å; K370-I383 HydrophobicContact CB-CG2 3.99Å; K370-I383 HydrophobicContact CD-CG2 4.32Å; K370-I383 WeakPolarHBondContact CE-O 3.44Å; K370-I383 HydrophobicContact CG-CB 4.24Å; K370-I383 HydrophobicContact CG-CG2 3.81Å; K370-I383 PolarHBondContact NZ-O 3.27Å; A374-I383 VanDerWaalsContact O-CD1 3.24Å; A374-I383 WeakPolarHBondContact O-CD1 3.3Å; A374-I383 WeakPolarHBondContact O-CG1 3.43Å; C376-I383 HydrophobicContact CB-CG1 4.48Å; I383-V386 HydrophobicContact CG2-CG2 3.66Å
384Q97.6Very high96.3Very high114 Ų11482.9 Ų82.953%0.53345%0.446SS..  trans-69.4-45.1179.8-67.5179-13.400112I352 K370 E382I352-Q384 PolarHBondContact O-N 3.26Å; I352-Q384 VanDerWaalsContact O-N 3.12Å; K370-Q384 VanDerWaalsContact CE-C 3.44Å; K370-Q384 WeakPolarHBondContact CE-O 3.41Å; K370-Q384 PolarHBondContact NZ-O 3.37Å; E382-Q384 PolarHBondContact O-N 3.23Å
385L97.6Very high96.2Very high92 Ų9285.6 Ų85.648%0.48246%0.455SS..EExtended strand (participates in β ladder)trans-144.3156.1-179.9-176.460.6000111.3I352 I387I352-L385 HydrophobicContact CB-CB 4.12Å; I352-L385 HydrophobicContact CG1-CB 4.45Å; I352-L385 PolarHBondContact N-O 2.88Å; I352-L385 PolarHBondContact O-N 3.12Å; L385-I387 HydrophobicContact CD2-CD1 3.96Å; L385-I387 HydrophobicContact CD2-CG1 3.9Å; L385-I387 HydrophobicContact CG-CG1 4Å
386V98.3Very high96.1Very high16 Ų1687.6 Ų87.610%0.09746%0.461CS..EExtended strand (participates in β ladder)trans-129.1122.5171.6170.20000108N350 F363 A366 R367 K370 I383N350-V386 WeakPolarHBondContact O-CA 3.39Å; F363-V386 HydrophobicContact CD2-CG1 3.79Å; F363-V386 HydrophobicContact CE2-CG1 3.95Å; A366-V386 HydrophobicContact CB-CB 4.41Å; A366-V386 HydrophobicContact CB-CG1 3.43Å; A366-V386 VanDerWaalsContact CB-CG1 3.43Å; A366-V386 HydrophobicContact CB-CG2 4.04Å; R367-V386 HydrophobicContact CG-CG1 4.11Å; K370-V386 HydrophobicContact CB-CG2 4.11Å; K370-V386 HydrophobicContact CD-CG2 4.23Å; I383-V386 HydrophobicContact CG2-CG2 3.66Å
387I97.9Very high96Very high78 Ų7893.1 Ų93.140%0.449%0.489SS..EExtended strand (participates in β ladder)trans-112.2138.7-178-60.9-179.9000108.9N350 I352 L385N350-I387 PolarHBondContact N-O 2.68Å; N350-I387 PolarHBondContact O-N 2.78Å; I352-I387 HydrophobicContact CD1-CD1 4.4Å; I352-I387 HydrophobicContact CG1-CD1 4.03Å; I352-I387 HydrophobicContact CG1-CG1 4.16Å; L385-I387 HydrophobicContact CD2-CD1 3.96Å; L385-I387 HydrophobicContact CD2-CG1 3.9Å; L385-I387 HydrophobicContact CG-CG1 4Å
388K97.4Very high96Very high88 Ų8897.1 Ų97.138%0.38351%0.508SS..EExtended strand (participates in β ladder)trans-81120167-178.1165.3171.6126.70109D348 F363 F390D348-K388 CarbonylContact O-C 3.52Å; D348-K388 VanDerWaalsContact O-CA 3.29Å; D348-K388 WeakPolarHBondContact O-CA 3.12Å; D348-K388 VanDerWaalsContact OD2-CE 3.28Å; D348-K388 WeakPolarHBondContact OD2-CE 3.36Å; D348-K388 IonicContact OD2-NZ 3.02Å; D348-K388 PolarHBondContact OD2-NZ 2.81Å; F363-K388 HydrophobicContact CB-CB 4.4Å; F363-K388 HydrophobicContact CB-CG 4.4Å; F363-K388 HydrophobicContact CD1-CB 4.24Å; F363-K388 HydrophobicContact CD1-CD 4.25Å; F363-K388 HydrophobicContact CD2-CB 3.62Å; F363-K388 HydrophobicContact CD2-CG 4.49Å; F363-K388 HydrophobicContact CE1-CB 4.38Å; F363-K388 HydrophobicContact CE2-CB 3.8Å; F363-K388 HydrophobicContact CG-CB 3.85Å; F363-K388 HydrophobicContact CG-CD 4.37Å; F363-K388 HydrophobicContact CG-CG 4.29Å; F363-K388 HydrophobicContact CZ-CB 4.16Å; K388-F390 HydrophobicContact CD-CE1 4.46Å; K388-F390 HydrophobicContact CD-CE2 4.22Å; K388-F390 HydrophobicContact CD-CZ 3.82Å; K388-F390 HydrophobicContact CG-CE2 3.97Å; K388-F390 HydrophobicContact CG-CZ 4.05Å
389V96.3Very high96Very high40 Ų4097.2 Ų97.224%0.24251%0.509CS..  trans-96140.9179.5175.30000109.9D348 N350 L359D348-V389 PolarHBondContact O-N 3.26Å; N350-V389 HydrophobicContact CB-CG2 3.65Å; L359-V389 HydrophobicContact CD1-CB 4.43Å; L359-V389 HydrophobicContact CD1-CG2 4.3Å; L359-V389 HydrophobicContact CD2-CG1 4.34Å
390F94.6Very high95.9Very high163 Ų163101.1 Ų101.172%0.71552%0.524SS*.  trans-120.8128.2166.2-58.1-92.2000106.8K388K388-F390 HydrophobicContact CD-CE1 4.46Å; K388-F390 HydrophobicContact CD-CE2 4.22Å; K388-F390 HydrophobicContact CD-CZ 3.82Å; K388-F390 HydrophobicContact CG-CE2 3.97Å; K388-F390 HydrophobicContact CG-CZ 4.05Å
391I90.4Very high95.9Very high130 Ų13097.3 Ų97.367%0.66751%0.514SS*.  trans-84.6140.7172.9-56.2172.2000106.9L335L335-I391 HydrophobicContact CB-CD1 4.47Å; L335-I391 HydrophobicContact CD1-CD1 4.3Å
392A86.8Confident95.7Very high169 Ų16995.4 Ų95.4100%1.39752%0.515SS*.  trans-134.50-168.200000112.2

Retrieved 392 of 392 residues in 91.3 ms (Link to these results)