A0A087YIY4_POEFO Loading...

Zinc finger protein 513

Transcriptional regulator that plays a role in retinal development and maintenance.

AlphaFold DB , UniProt , Accession A0A087YIY4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 455 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
1M33.7Very low35.6Very low233 Ų233169.8 Ų169.8100%1.14884%0.837SS**  0146.20-71.6-60.3-176.500107.7
2P50.7Low34.9Very low114 Ų114168.6 Ų168.674%0.7484%0.835SS**  cis-98.7-172.5-3.241-32.7000110.7
3R31.7Very low34.4Very low237 Ų237169.6 Ų169.689%0.89483%0.832SS**  cis-149.9153.8-2.4-137159.7-162.8-121.15.4109.6
4R34.6Very low34.1Very low216 Ų216167.5 Ų167.582%0.81583%0.833SS**  trans-57.9152.4173.8-79.4169.2155.6-178.7-7.8113.5
5K33Very low33.5Very low213 Ų213161 Ų16193%0.92683%0.826SS**  -153.2138.6120.2-103.9172.7-175-175.70110.1
6Q37.2Very low33.1Very low172 Ų172156.6 Ų156.680%0.80481%0.813SS**  trans-111.7144.6174.2-72171.4-38.400108.4
7S30.6Very low32.7Very low123 Ų123157.7 Ų157.786%0.8681%0.814SS**  trans-160.3119.5155.543.80000111.2
8H31.9Very low32.2Very low171 Ų171153.8 Ų153.879%0.79281%0.809SS**  trans-101.1155.6158.1-112.8-35.2000106.7
9P36.7Very low31.9Very low124 Ų124151.1 Ų151.181%0.80581%0.811SS**  -146178.970.935.5-14.2000116.4
10Q31.2Very low31.6Very low162 Ų162148.3 Ų148.376%0.75781%0.809SS**  trans-86.5-178.3168-75.9-140.87.700110.5
11P40.1Very low31.8Very low103 Ų103146.7 Ų146.767%0.66981%0.806SS**  cis-150.6-159.324.737.9-11.2000117.9
12L28Very low31.5Very low155 Ų155140.8 Ų140.881%0.81279%0.788SS**  trans85.9151.3167-56.5163.8000116.5
13K28.3Very low30.4Very low182 Ų182142.8 Ų142.879%0.79179%0.792SS**  cis170.8167.1-29.9-131.7-173-177.1-176.40105.6
14V29.6Very low30.7Very low140 Ų140136.8 Ų136.885%0.84878%0.784SS**  trans75.1131.2178.3-1650000111.7
15G25Very low30.2Very low70 Ų70132 Ų13272%0.72278%0.784SS**  cis95.7145.45000000108
16S26.9Very low29.8Very low90 Ų90125.3 Ų125.363%0.62978%0.775SS**  cis-160.7177.65.341.20000108.6
17E26.1Very low29.3Very low176 Ų176122.7 Ų122.782%0.82278%0.776SS**  trans65.4161.3157-71.6153.7117.100118.4
18A25.1Very low29Very low87 Ų87122.7 Ų122.772%0.71977%0.77SS**  cis-164176.4-25.200000109.7
19A24.8Very low28.8Very low103 Ų103122.2 Ų122.285%0.85177%0.773SS**  trans72123156.500000120.5
20A27.1Very low28.3Very low94 Ų94124.3 Ų124.378%0.77777%0.772SS**  trans-76.2174.815300000109.5
21P36.3Very low28.1Very low115 Ų115122.5 Ų122.575%0.74778%0.777SS**  -153.1-172.357.839.4-16.1000117.5
22S26Very low27.4Very low109 Ų109124 Ų12476%0.76278%0.78SS**  trans72.5116.6151.645.70000122
23D27.2Very low27.3Very low156 Ų156125.7 Ų125.783%0.83478%0.781SS**  trans-50.5168.9150.6-66-65.2000113.4
24P38.8Very low27.1Very low111 Ų111123.3 Ų123.372%0.72178%0.776SS**  cis-149.6-174.229.642.4-20.3000119.6
25S24Very low27Very low116 Ų116123.5 Ų123.581%0.81177%0.771SS**  trans76.4111.5150.555.90000121.6
26G24.2Very low27.1Very low72 Ų72127.2 Ų127.274%0.74278%0.775SS**  110.388.5121.300000119.8
27S26.5Very low27Very low117 Ų117126.4 Ų126.482%0.81878%0.781SS**  166.7114.6111.449.60000114.7
28V25Very low27Very low123 Ų123126.4 Ų126.475%0.74579%0.786SS**  trans24.2113.6135.5-162.40000118.8
29L28.3Very low27.1Very low162 Ų162126 Ų12685%0.84879%0.791SS**  -169.2138.1106.5-98.8175.2000112.2
30E24.8Very low27.2Very low168 Ų168129.8 Ų129.879%0.78580%0.797SS**  trans-76.1152.8-171.8-60.5156.6103.600112.6
31S28.9Very low27.1Very low123 Ų123129 Ų12986%0.8680%0.798SS**  -159.911190.315.90000112
32D25Very low26.6Very low136 Ų136127.2 Ų127.273%0.72780%0.8SS**  trans-97.9-161.9173.1-114.9-42.7000111.5
33F24.7Very low26.9Very low190 Ų190129.4 Ų129.483%0.83381%0.809SS**  trans89.8106.8179.3-66.9-85.6000114.6
34L25.2Very low26.8Very low131 Ų131125 Ų12569%0.68680%0.801SS**  cis58.1133.919.5-84173.8000110.9
35L28.1Very low26.2Very low144 Ų144130.9 Ų130.975%0.75481%0.809SS**  cis-146.9178.125.1-92.3162.3000112.2
36D25.1Very low26.3Very low149 Ų149132.5 Ų132.580%0.79781%0.814SS**  trans-48.1-175.8160.9-53.3-83.8000117.8
37G25Very low26.4Very low73 Ų73135.1 Ų135.175%0.75382%0.816SS**  trans125.6120.4142.500000118.2
38D26.8Very low26.3Very low175 Ų175133.3 Ų133.394%0.93682%0.815SS**  trans-62.4172.4172.7-49.7-83.1000115.8
39G26.6Very low26.2Very low80 Ų80130.6 Ų130.683%0.82581%0.812SS**  trans150.6124.5154.700000118.3
40D27.6Very low26Very low181 Ų181132 Ų13297%0.96881%0.811SS**  trans-52.6164.8178.8-96.1-57.3000119.4
41G26.1Very low26Very low79 Ų79132.4 Ų132.481%0.81481%0.813SS**  trans178.7100.8164.300000113.5
42G25.1Very low25.8Very low76 Ų76129.8 Ų129.878%0.78481%0.806SS**  trans-108.4157-17900000114.8
43T32.2Very low25.7Very low156 Ų156130.7 Ų130.796%0.95781%0.81SS**  trans-143.7152.5160.753.10000108.3
44G24.5Very low25.8Very low64 Ų64132.5 Ų132.566%0.6681%0.812SS**  trans-149.9-169.5-173.800000115.2
45W26.3Very low25.7Very low234 Ų234130.4 Ų130.489%0.88681%0.808SS**  trans62.8110.8167.7-6279.9000118.9V47W45-V47 HydrophobicContact CE3-CG2 3.9Å; W45-V47 HydrophobicContact CZ3-CG2 4.1Å
46T25.6Very low25.6Very low150 Ų150128.5 Ų128.592%0.9281%0.807SS**  -139.7148.3123.844.70000110.1
47V27.2Very low25.5Very low127 Ų127127 Ų12777%0.7781%0.808SS**  trans-110.7146.5-175.1178.60000109.1W45W45-V47 HydrophobicContact CE3-CG2 3.9Å; W45-V47 HydrophobicContact CZ3-CG2 4.1Å
48G24.5Very low25.6Very low79 Ų79131.5 Ų131.581%0.81481%0.814SS**  trans179.8102.2169.900000112.3
49G23.5Very low26.1Very low65 Ų65129.4 Ų129.467%0.6781%0.81SS**  trans-125.4161.9167.100000110.3
50F23.3Very low26Very low192 Ų192130.4 Ų130.484%0.84281%0.811SS**  trans-158.5164.5158.1-113.8-76.2000111.4
51H25.1Very low25.8Very low176 Ų176126.3 Ų126.382%0.81580%0.801SS**  trans-58.8169-174.4-50.5-37.2000115.2
52G23.5Very low25.8Very low69 Ų69130.4 Ų130.471%0.71180%0.804SS**  cis158.2165.1-5.400000113.2
53D22.8Very low25.6Very low154 Ų154131.9 Ų131.982%0.82480%0.801SS**  trans57.8150.7153.9-83.4-23.3000125.5
54R26.9Very low25.3Very low229 Ų229132.8 Ų132.886%0.86480%0.799SS**  trans73157.4160-69.9157.9-174.5-103.42119.4
55S24.3Very low25.2Very low87 Ų87138.1 Ų138.161%0.60881%0.807SS**  cis-175.4148.7-45.449.40000110.1
56S25.6Very low25.6Very low104 Ų104132.6 Ų132.673%0.72780%0.801SS**  trans65.1141.4148.557.10000124
57S23.8Very low25.5Very low117 Ų117130.1 Ų130.182%0.81880%0.796SS**  trans91.9132.713940.60000124.2
58L26Very low25.5Very low167 Ų167128.7 Ų128.787%0.87480%0.797SS**  trans-69.4-174.9168.1-71.2158.5000111.9
59P37.1Very low25.7Very low131 Ų131130.7 Ų130.785%0.85180%0.796SS**  cis-146.3-15022.643.9-19.9000117.1
60A24.3Very low25.6Very low102 Ų102132 Ų13284%0.84380%0.801SS**  trans-113.2163.1-155.900000117.2
61A25.1Very low25.7Very low94 Ų94128 Ų12878%0.77780%0.803SS**  trans-169.1158.3161.900000108.2
62L24.8Very low25.7Very low165 Ų165125 Ų12586%0.86480%0.802SS**  cis-154.9-170-13.6-122.1172.6000109.4
63C22.3Very low25.8Very low107 Ų107126.9 Ų126.972%0.72381%0.811SS**  trans-96.7160.5-172.3-48.70000115.2
64L24.5Very low25.9Very low176 Ų176125.6 Ų125.692%0.92181%0.808SS**  -175.5133.5127-108.2131000112.9
65E23.4Very low25.9Very low176 Ų176120.1 Ų120.182%0.82280%0.802SS**  trans-107.3165.6161.5-103.9-156.6160.100107.9
66P34Very low26Very low117 Ų117119.9 Ų119.976%0.7681%0.806SS**  cis-152.6-164.342.843.3-20.9000117.4
67A24.2Very low26Very low99 Ų99122.9 Ų122.982%0.81881%0.812SS**  trans96.2111.2157.500000118.8
68A26.2Very low26.1Very low96 Ų96125 Ų12579%0.79381%0.814SS**  trans-86.4160.1165.400000111
69P28.4Very low26Very low122 Ų122122.4 Ų122.479%0.79281%0.808SS**  -149.1171.89139.3-22.7000117
70A22.8Very low25.4Very low93 Ų93120.9 Ų120.977%0.76980%0.799SS**  trans66.593.215100000120.9
71A25.6Very low25.8Very low107 Ų107125.7 Ų125.788%0.88481%0.805SS**  39.596.5127.300000120.4
72S25.3Very low26.1Very low114 Ų114124.7 Ų124.780%0.79780%0.803SS**  trans-146.9142.8133.2600000110.2V74S72-V74 PolarHBondContact O-N 2.8Å
73A24.8Very low26.3Very low108 Ų108121.3 Ų121.389%0.89379%0.793SS**  trans-81.4100.7-165.600000112.7
74V25.5Very low26.7Very low127 Ų127120.4 Ų120.477%0.7780%0.801SS**PPolyproline II helixtrans-82.3128.7161.7-178.90000108.4S72 A76S72-V74 PolarHBondContact O-N 2.8Å; V74-A76 PolarHBondContact O-N 3.35Å
75P26.3Very low26.8Very low113 Ų113118.9 Ų118.973%0.73479%0.793SS**PPolyproline II helixtrans-68.7121.5178.627.4-33.1000110.3L77P75-L77 PolarHBondContact O-N 3.15Å
76A25.6Very low26.8Very low83 Ų83116.3 Ų116.369%0.68680%0.795SS**PPolyproline II helixtrans-62122.4175.300000110.7V74 L78V74-A76 PolarHBondContact O-N 3.35Å; A76-L78 HydrophobicContact CB-CD1 4.33Å; A76-L78 PolarHBondContact O-N 2.99Å
77L26.9Very low26.7Very low166 Ų166117.8 Ų117.887%0.86980%0.795SS**  trans-65.392.8167.8-77.5157.9000109.5P75 C79P75-L77 PolarHBondContact O-N 3.15Å; L77-C79 VanDerWaalsContact C-N 3.34Å; L77-C79 PolarHBondContact O-N 3.23Å
78L26Very low26.8Very low162 Ų162116.5 Ų116.585%0.84879%0.792SS**  trans-71.594.5163.5-92.379.6000109A76 C80A76-L78 HydrophobicContact CB-CD1 4.33Å; A76-L78 PolarHBondContact O-N 2.99Å; L78-C80 PolarHBondContact O-N 3.19Å; L78-C80 VanDerWaalsContact O-N 3.14Å
79C23.5Very low27.3Very low113 Ų113119.4 Ų119.476%0.76479%0.794SS**  trans-61.4110.5168.5-70.80000110.2L77 Q81L77-C79 VanDerWaalsContact C-N 3.34Å; L77-C79 PolarHBondContact O-N 3.23Å; C79-Q81 PolarHBondContact O-N 3.14Å
80C24.3Very low27.5Very low98 Ų98122.6 Ų122.666%0.66280%0.796SS**  trans-75.3105.9165-173.30000108.9L78 G82 C83L78-C80 PolarHBondContact O-N 3.19Å; L78-C80 VanDerWaalsContact O-N 3.14Å; C80-G82 VanDerWaalsContact C-N 3.31Å; C80-G82 PolarHBondContact O-N 3.36Å; C80-C83 PolarHBondContact O-N 2.67Å
81Q31.8Very low28Very low204 Ų204125.1 Ų125.195%0.95379%0.794SS**THydrogen-bonded Turntrans-64.692.2169.7-85.4173.6-45.800109.5C79C79-Q81 PolarHBondContact O-N 3.14Å
82G32.3Very low28.4Very low72 Ų72124.5 Ų124.574%0.74278%0.78SS**THydrogen-bonded Turntrans164.6-26.6-179.100000114.5C80C80-G82 VanDerWaalsContact C-N 3.31Å; C80-G82 PolarHBondContact O-N 3.36Å
83C28.5Very low28.9Very low95 Ų95124.1 Ų124.164%0.64277%0.772SS**  trans-136.894.8-172.4-56.70000112.5C80 L85C80-C83 PolarHBondContact O-N 2.67Å; C83-L85 PolarHBondContact O-N 3.07Å
84G31.2Very low29.3Very low87 Ų87127.2 Ų127.290%0.89776%0.762SS**  trans-78.672.4176.700000113.9
85L26Very low29.6Very low144 Ų144122.6 Ų122.675%0.75474%0.74SS**  trans-131.4104.9175.6-80.9166.8000111.2C83 L87C83-L85 PolarHBondContact O-N 3.07Å; L85-L87 HydrophobicContact CB-CD1 4.35Å
86S24.6Very low30Very low123 Ų123122.2 Ų122.286%0.8673%0.732SS**  trans-89.6126.6161.359.30000109.4
87L30.3Very low30.4Very low147 Ų147123.7 Ų123.777%0.7773%0.727SS**  trans-104.1102.4172.9-92.483.5000110.3L85 N89L85-L87 HydrophobicContact CB-CD1 4.35Å; L87-N89 PolarHBondContact O-N 3.33Å
88G26.6Very low30.7Very low73 Ų73121.4 Ų121.475%0.75372%0.715SS**  trans-73.5116.6161.200000110.9
89N37.3Very low30.8Very low156 Ų156117.5 Ų117.583%0.83470%0.7SS**SBendtrans32.484158.1-65.4-8.8000118.3L87L87-N89 PolarHBondContact O-N 3.33Å
90K31.5Very low31.3Very low190 Ų190116.3 Ų116.383%0.82669%0.689SS**  trans-169.192143.9-104.4152.5-170.1174.90110.9T92K90-T92 PolarHBondContact O-N 3.1Å
91I33.3Very low31.8Very low145 Ų145114.1 Ų114.174%0.74468%0.683SS**  trans-79.6107.8177.7-59.5171.2000108.8L96I91-L96 HydrophobicContact CG2-CG 4.26Å
92T34.7Very low31.9Very low94 Ų94110.8 Ų110.858%0.57767%0.671SS**  trans-93.4155.3164.5560000109.7K90 Y94 G95K90-T92 PolarHBondContact O-N 3.1Å; T92-Y94 PolarHBondContact O-N 3.02Å; T92-G95 PolarHBondContact O-N 3.43Å
93V36.3Very low31.9Very low106 Ų106111.6 Ų111.664%0.64267%0.671SS**Hα-helixtrans-49.2-30.9-172.7178.10000114.3G95 L96 I97V93-G95 VanDerWaalsContact C-N 3.27Å; V93-G95 PolarHBondContact O-N 3.4Å; V93-L96 PolarHBondContact O-N 3.44Å; V93-I97 PolarHBondContact O-N 3.08Å
94Y33.1Very low32.2Very low174 Ų174112.7 Ų112.768%0.68267%0.67SS**Hα-helixtrans-61.1-30.3174.8-69.5-81.2000114.2T92 L98T92-Y94 PolarHBondContact O-N 3.02Å; Y94-L98 PolarHBondContact O-N 3.36Å; Y94-L98 VanDerWaalsContact O-N 3.15Å
95G31.3Very low32.6Very low30 Ų30111.9 Ų111.931%0.30966%0.661SS.*Hα-helixtrans-69.1-35.7175.900000112.9T92 V93 L98 C99T92-G95 PolarHBondContact O-N 3.43Å; V93-G95 VanDerWaalsContact C-N 3.27Å; V93-G95 PolarHBondContact O-N 3.4Å; G95-L98 PolarHBondContact O-N 2.89Å; G95-C99 WeakPolarHBondContact O-CB 3.48Å; G95-C99 PolarHBondContact O-N 3.12Å; G95-C99 PolarHBondContact O-SG 2.84Å; G95-C99 VanDerWaalsContact O-SG 3.33Å
96L34.2Very low32.9Very low105 Ų105108.8 Ų108.855%0.5566%0.656SS.*Hα-helixtrans-68.2-38.1175.9-72.4169.3000111.6I91 V93 L98 C99 V100I91-L96 HydrophobicContact CG2-CG 4.26Å; V93-L96 PolarHBondContact O-N 3.44Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-C99 PolarHBondContact O-N 2.89Å; L96-V100 WeakPolarHBondContact O-CB 3.37Å; L96-V100 VanDerWaalsContact O-CG2 3.27Å; L96-V100 WeakPolarHBondContact O-CG2 3.36Å; L96-V100 PolarHBondContact O-N 3.13Å
97I34.5Very low33.3Very low114 Ų114106 Ų10659%0.58563%0.63SS**Hα-helixtrans-63.7-41.7174.9-61.6171.2000110.6V93 G101V93-I97 PolarHBondContact O-N 3.08Å; I97-G101 PolarHBondContact O-N 3.14Å
98L32.3Very low33.1Very low118 Ų118107.4 Ų107.462%0.61864%0.637SS**Hα-helixtrans-69.3-40.2177.7-154.976.7000112.2Y94 G95 L96 G101 L102Y94-L98 PolarHBondContact O-N 3.36Å; Y94-L98 VanDerWaalsContact O-N 3.15Å; G95-L98 PolarHBondContact O-N 2.89Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L98-G101 CarbonylContact O-C 3.48Å; L98-G101 PolarHBondContact O-N 2.79Å; L98-L102 HydrophobicContact CG-CD1 4.29Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 WeakPolarHBondContact O-CG 3.28Å; L98-L102 PolarHBondContact O-N 2.8Å
99C28.9Very low33.1Very low80 Ų80112.9 Ų112.954%0.54164%0.636SS.*Hα-helixtrans-70-38.6177.1-71.50000112.7G95 L96 G101 L102 A103G95-C99 WeakPolarHBondContact O-CB 3.48Å; G95-C99 PolarHBondContact O-N 3.12Å; G95-C99 PolarHBondContact O-SG 2.84Å; G95-C99 VanDerWaalsContact O-SG 3.33Å; L96-C99 PolarHBondContact O-N 2.89Å; C99-G101 VanDerWaalsContact C-N 3.3Å; C99-G101 PolarHBondContact O-N 3.19Å; C99-L102 PolarHBondContact O-N 3.04Å; C99-A103 VanDerWaalsContact O-CB 3.27Å; C99-A103 WeakPolarHBondContact O-CB 3.46Å; C99-A103 PolarHBondContact O-N 3.37Å
100V34.4Very low32.5Very low87 Ų87109.5 Ų109.553%0.52762%0.624SS.*Hα-helixtrans-64.6-37.5172.8171.70000110.6L96 L102 L104L96-V100 WeakPolarHBondContact O-CB 3.37Å; L96-V100 VanDerWaalsContact O-CG2 3.27Å; L96-V100 WeakPolarHBondContact O-CG2 3.36Å; L96-V100 PolarHBondContact O-N 3.13Å; V100-L102 VanDerWaalsContact C-N 3.29Å; V100-L102 PolarHBondContact O-N 3.06Å; V100-L104 HydrophobicContact CG1-CD1 3.95Å; V100-L104 VanDerWaalsContact O-CB 3.29Å; V100-L104 WeakPolarHBondContact O-CB 3.5Å; V100-L104 PolarHBondContact O-N 3.42Å
101G34.8Very low32.3Very low52 Ų52108.7 Ų108.754%0.53663%0.628SS.*Hα-helixtrans-73.8-9173.800000116.1I97 L98 C99I97-G101 PolarHBondContact O-N 3.14Å; L98-G101 CarbonylContact O-C 3.48Å; L98-G101 PolarHBondContact O-N 2.79Å; C99-G101 VanDerWaalsContact C-N 3.3Å; C99-G101 PolarHBondContact O-N 3.19Å
102L33.5Very low32.1Very low135 Ų135107.9 Ų107.971%0.70763%0.63SS**Hα-helixtrans-109.5-26.4175.5-72.3171000112.9L98 C99 V100L98-L102 HydrophobicContact CG-CD1 4.29Å; L98-L102 WeakPolarHBondContact O-CB 3.39Å; L98-L102 WeakPolarHBondContact O-CG 3.28Å; L98-L102 PolarHBondContact O-N 2.8Å; C99-L102 PolarHBondContact O-N 3.04Å; V100-L102 VanDerWaalsContact C-N 3.29Å; V100-L102 PolarHBondContact O-N 3.06Å
103A32.4Very low31.7Very low89 Ų89107.8 Ų107.874%0.73663%0.632SS**Hα-helixtrans-83-34.5173.200000112.1C99 G105C99-A103 VanDerWaalsContact O-CB 3.27Å; C99-A103 WeakPolarHBondContact O-CB 3.46Å; C99-A103 PolarHBondContact O-N 3.37Å; A103-G105 PolarHBondContact O-N 3.41Å
104L35.3Very low31.5Very low118 Ų118111.9 Ų111.962%0.61864%0.644SS**SBendtrans-83.496.8159.9-60.9175.8000107.3V100 A106V100-L104 HydrophobicContact CG1-CD1 3.95Å; V100-L104 VanDerWaalsContact O-CB 3.29Å; V100-L104 WeakPolarHBondContact O-CB 3.5Å; V100-L104 PolarHBondContact O-N 3.42Å; L104-A106 PolarHBondContact O-N 3Å
105G38.7Very low31.2Very low70 Ų70111.9 Ų111.972%0.72265%0.65SS**  trans-65.667.917100000111.6A103 E107A103-G105 PolarHBondContact O-N 3.41Å; G105-E107 PolarHBondContact O-N 3.19Å
106A33.1Very low31Very low78 Ų78119.5 Ų119.565%0.64567%0.669SS**  trans-76.774.1-177.300000110.4L104 L108L104-A106 PolarHBondContact O-N 3Å; A106-L108 PolarHBondContact O-N 3.17Å; A106-L108 VanDerWaalsContact O-N 3.13Å
107E31.9Very low30.5Very low66 Ų66120.1 Ų120.131%0.30868%0.683SS.*  trans-51.2118.6149.1-66.3-163.7123.700106.4G105 Y109 R116 S118G105-E107 PolarHBondContact O-N 3.19Å; E107-Y109 VanDerWaalsContact C-N 3.33Å; E107-Y109 WeakPolarHBondContact O-CD2 3.44Å; E107-Y109 PolarHBondContact O-N 2.88Å; E107-R116 IonicContact OE1-NE 3.67Å; E107-R116 IonicContact OE1-NH2 3.83Å; E107-R116 IonicContact OE2-CZ 3.29Å; E107-R116 VanDerWaalsContact OE2-CZ 3.29Å; E107-R116 IonicContact OE2-NE 2.84Å; E107-R116 PolarHBondContact OE2-NE 3.25Å; E107-R116 IonicContact OE2-NH2 2.84Å; E107-R116 PolarHBondContact OE2-NH2 2.88Å; E107-S118 WeakPolarHBondContact OE1-CB 3.44Å; E107-S118 PolarHBondContact OE1-OG 3.11Å
108L26.3Very low30.2Very low176 Ų176118.2 Ų118.292%0.92168%0.68SS**  trans-68.389.8-177.3-87.5157.2000109.7A106 C110A106-L108 PolarHBondContact O-N 3.17Å; A106-L108 VanDerWaalsContact O-N 3.13Å; L108-C110 PolarHBondContact O-N 3.47Å
109Y26.5Very low30.1Very low188 Ų188117.4 Ų117.474%0.73769%0.69SS**  trans-60.3118.7178.3-77.1-88.7000111.2E107 L111E107-Y109 VanDerWaalsContact C-N 3.33Å; E107-Y109 WeakPolarHBondContact O-CD2 3.44Å; E107-Y109 PolarHBondContact O-N 2.88Å; Y109-L111 PolarHBondContact O-N 3.22Å
110C24.6Very low30.3Very low85 Ų85119.3 Ų119.357%0.57470%0.701SS**  trans-83102.1163.3-171.70000108.2L108 T112 C113L108-C110 PolarHBondContact O-N 3.47Å; C110-T112 PolarHBondContact O-N 3.41Å; C110-C113 PolarHBondContact O-N 3.38Å; C110-C113 VanDerWaalsContact O-N 3.1Å
111L29Very low30.5Very low173 Ų173121 Ų12191%0.90671%0.714SS**THydrogen-bonded Turntrans-66.224.2-177.7-92.2150.1000115.4Y109Y109-L111 PolarHBondContact O-N 3.22Å
112T28.4Very low30.1Very low128 Ų128122.9 Ų122.979%0.78572%0.724SS**THydrogen-bonded Turntrans-136.68.417253.40000113.7C110C110-T112 PolarHBondContact O-N 3.41Å
113C25.9Very low30.2Very low91 Ų91124.2 Ų124.262%0.61573%0.731SS**  trans-146.5109.1178.3-116.80000113.2C110 Q115C110-C113 PolarHBondContact O-N 3.38Å; C110-C113 VanDerWaalsContact O-N 3.1Å; C113-Q115 PolarHBondContact O-N 3.46Å
114E32.5Very low29.8Very low192 Ų192131.8 Ų131.890%0.89774%0.74SS**  trans-76.756.3171.7-65-172.4131.900113
115Q26.6Very low29.9Very low174 Ų174137.5 Ų137.581%0.81375%0.754SS**  trans-137.7114.5166.5-79.1-63-72.800110.7C113C113-Q115 PolarHBondContact O-N 3.46Å
116R26.6Very low29.5Very low190 Ų190145.3 Ų145.372%0.71776%0.761SS**  trans-72.6144.3176.8-165.6-179.6-162.8-163.45.5110.6E107E107-R116 IonicContact OE1-NE 3.67Å; E107-R116 IonicContact OE1-NH2 3.83Å; E107-R116 IonicContact OE2-CZ 3.29Å; E107-R116 VanDerWaalsContact OE2-CZ 3.29Å; E107-R116 IonicContact OE2-NE 2.84Å; E107-R116 PolarHBondContact OE2-NE 3.25Å; E107-R116 IonicContact OE2-NH2 2.84Å; E107-R116 PolarHBondContact OE2-NH2 2.88Å
117S25.1Very low29.3Very low118 Ų118151.9 Ų151.983%0.82577%0.769SS**  trans-153.8109.4159.562.70000112.9
118S28.4Very low29.3Very low75 Ų75154.4 Ų154.452%0.52479%0.794SS.*  trans-115.4116.5164.718.10000108.5E107E107-S118 WeakPolarHBondContact OE1-CB 3.44Å; E107-S118 PolarHBondContact OE1-OG 3.11Å
119A28.4Very low29.3Very low100 Ų100151 Ų15183%0.82679%0.791SS**SBendtrans67.4159.917100000118.9
120P34.2Very low29.6Very low120 Ų120148.2 Ų148.278%0.77980%0.799SS**  trans-94.5178.3-175.640.6-36.3000112.4
121P38.3Very low29.9Very low122 Ų122147.3 Ų147.379%0.79281%0.805SS**  cis-134.8-168.47.743.4-25.3000115.6
122A25.5Very low30.3Very low92 Ų92145.6 Ų145.676%0.7681%0.807SS**  trans71.4132.3154.900000122.1
123I35.5Very low30.5Very low164 Ų164144.3 Ų144.384%0.84180%0.803SS**  trans0.7116.7161-50.1173.4000118.5
124R24.6Very low31Very low248 Ų248146.3 Ų146.394%0.93681%0.813SS**  -158.1144.8127.5-114.3173.3-174-157.71.4113.2
125R38.6Very low31.3Very low238 Ų238142.9 Ų142.990%0.89881%0.807SS**  trans-97.9133.6171.7-65.9-176.8-179.4-157.52.6110.3
126R29.6Very low32Very low234 Ų234140.1 Ų140.188%0.88381%0.806SS**  trans169.9158.2134.7-94.6165.7-169.2-111.73107.9
127R29.2Very low33.2Very low216 Ų216140.6 Ų140.682%0.81581%0.808SS**  cis178.5113.2-32.6-169-176.5-162.3-161.75.3102.7
128S31.4Very low34.8Very low118 Ų118139.7 Ų139.783%0.82579%0.793SS**  trans47109.4154.6-48.80000120.3
129A26.8Very low36.4Very low105 Ų105138.7 Ų138.787%0.86878%0.779SS**  trans-120136.113400000107.5
130S33Very low38Very low129 Ų129137.8 Ų137.890%0.90277%0.767SS**  trans-89.8115.6-169.748.60000112.5
131G30.2Very low39.8Very low67 Ų67132.6 Ų132.669%0.69173%0.733SS**  trans-152.2128.5164.800000108S133G131-S133 PolarHBondContact O-N 3.19Å
132S37.8Very low41.4Very low137 Ų137131.9 Ų131.996%0.95873%0.732SS**  trans-74.594.2-164.555.30000113.4
133S32.8Very low43.4Very low101 Ų101132.6 Ų132.671%0.70672%0.722SS**  trans-128.6127.7154.362.60000109.3G131G131-S133 PolarHBondContact O-N 3.19Å
134T35.7Very low45.1Very low132 Ų132127.1 Ų127.181%0.8170%0.698SS**  trans-67.3124176.337.80000108.7C136T134-C136 PolarHBondContact O-N 3.45Å; T134-C136 VanDerWaalsContact O-N 3.12Å
135P38.8Very low47.1Very low121 Ų121122.3 Ų122.379%0.78670%0.696SS**  trans-64.5121-175.724-32.8000109.9R137P135-R137 VanDerWaalsContact C-N 3.33Å; P135-R137 PolarHBondContact O-N 3.49Å
136C41.7Very low48.2Very low115 Ų115114.3 Ų114.378%0.77767%0.668SS**  trans-60.191.8175.6-84.40000110.4T134 L138T134-C136 PolarHBondContact O-N 3.45Å; T134-C136 VanDerWaalsContact O-N 3.12Å; C136-L138 VanDerWaalsContact C-N 3.33Å; C136-L138 PolarHBondContact O-N 2.96Å
137R51.3Low49.2Very low200 Ų200107 Ų10776%0.75565%0.65SS**  trans-70.287.7-179.6-169.7178.5-175.5-173.92.7110.5P135 F139P135-R137 VanDerWaalsContact C-N 3.33Å; P135-R137 PolarHBondContact O-N 3.49Å; R137-F139 HydrophobicContact CG-CZ 4.42Å; R137-F139 WeakPolarHBondContact O-CD2 3.47Å; R137-F139 WeakPolarHBondContact O-CE2 3.26Å
138L58.5Low50.4Low100 Ų10097.6 Ų97.652%0.52462%0.617SS.*  trans-71.7136171.2-62.9177.3000110.2C136 R149C136-L138 VanDerWaalsContact C-N 3.33Å; C136-L138 PolarHBondContact O-N 2.96Å; L138-R149 HydrophobicContact CD2-CB 4.5Å; L138-R149 HydrophobicContact CD2-CG 3.59Å
139F62.9Low51.7Low53 Ų53100.1 Ų100.123%0.23261%0.608CS.*EExtended strand (participates in β ladder)trans-98.7104.1174.4-63.3-85.9000108.3R137 S148 L154R137-F139 HydrophobicContact CG-CZ 4.42Å; R137-F139 WeakPolarHBondContact O-CD2 3.47Å; R137-F139 WeakPolarHBondContact O-CE2 3.26Å; F139-S148 PolarHBondContact N-O 3.36Å; F139-S148 PolarHBondContact O-N 3.43Å; F139-L154 HydrophobicContact CB-CB 3.98Å; F139-L154 HydrophobicContact CB-CD2 3.77Å; F139-L154 HydrophobicContact CB-CG 4.49Å
140S61.4Low53.2Low81 Ų81101.7 Ų101.757%0.56659%0.592SS**EExtended strand (participates in β ladder)trans-87.6148.7175.748.30000112.2L154S140-L154 WeakPolarHBondContact O-CD2 3.39Å
141C71.4Confident54.6Low11 Ų1198.1 Ų98.17%0.07457%0.567CS.*  trans-77.3140165.9-173.10000109.9L143 C144 F146 L154 M158 H161C141-L143 VanDerWaalsContact C-N 3.31Å; C141-L143 PolarHBondContact SG-N 3.2Å; C141-L143 VanDerWaalsContact SG-N 3.38Å; C141-C144 VanDerWaalsContact O-O 3.1Å; C141-F146 HydrophobicContact CB-CB 4.12Å; C141-F146 PolarHBondContact N-O 2.92Å; C141-L154 HydrophobicContact CB-CD1 3.84Å; C141-M158 VanDerWaalsContact SG-SD 3.62Å; C141-H161 PolarHBondContact SG-NE2 2.79Å; C141-H161 VanDerWaalsContact SG-NE2 3.43Å
142S71.8Confident56.5Low108 Ų10899.5 Ų99.576%0.75556%0.559SS**SBendtrans-79.9-12.9174.248.80000113.6
143L69.1Low58Low106 Ų10696 Ų9656%0.55553%0.527SS*.SBendtrans-111.8-8.3-172.6-59.1175.8000113.5C141 M158 H161C141-L143 VanDerWaalsContact C-N 3.31Å; C141-L143 PolarHBondContact SG-N 3.2Å; C141-L143 VanDerWaalsContact SG-N 3.38Å; L143-M158 HydrophobicContact CD1-CE 4.07Å; L143-H161 HydrophobicContact CD1-CB 3.53Å
144C70.9Confident59.6Low50 Ų5092.5 Ų92.534%0.33850%0.501SS..SBendtrans-161.5175.7175.271.40000111.4C141 F146 H157C141-C144 VanDerWaalsContact O-O 3.1Å; C144-F146 PolarHBondContact O-N 2.8Å; C144-F146 VanDerWaalsContact O-N 3.07Å; C144-F146 VanDerWaalsContact SG-CB 3.54Å; C144-H157 VanDerWaalsContact SG-CE1 3.56Å; C144-H157 PolarHBondContact SG-NE2 3.41Å
145T67.4Low61.3Low146 Ų14693.7 Ų93.790%0.89650%0.495SS*.SBendtrans-70.33.1-179.152.10000115.2T147T145-T147 PolarHBondContact O-N 2.88Å
146F59.7Low62.9Low70 Ų7093 Ų9331%0.30748%0.476SS..  trans-65.5127.7-179.5-179.2-96.2000112C141 C144 L154 H157C141-F146 HydrophobicContact CB-CB 4.12Å; C141-F146 PolarHBondContact N-O 2.92Å; C144-F146 PolarHBondContact O-N 2.8Å; C144-F146 VanDerWaalsContact O-N 3.07Å; C144-F146 VanDerWaalsContact SG-CB 3.54Å; F146-L154 HydrophobicContact CD1-CD1 4.22Å; F146-H157 HydrophobicContact CD1-CB 3.78Å; F146-H157 AromaticContact CD1-CD2 3.75Å; F146-H157 AromaticContact CD1-CG 3.42Å; F146-H157 VanDerWaalsContact CD1-CG 3.42Å; F146-H157 AromaticContact CD1-ND1 3.65Å; F146-H157 AromaticContact CD2-ND1 3.72Å; F146-H157 HydrophobicContact CE1-CB 3.56Å; F146-H157 AromaticContact CE1-CG 3.74Å; F146-H157 HydrophobicContact CG-CB 4.47Å; F146-H157 AromaticContact CG-CE1 3.63Å; F146-H157 AromaticContact CG-CG 3.75Å; F146-H157 AromaticContact CG-ND1 3.45Å; F146-H157 WeakPolarHBondContact CG-ND1 3.45Å; F146-H157 HydrophobicContact CZ-CB 4.09Å
147T51.5Low64.3Low82 Ų8289 Ų8950%0.50345%0.446SS..EExtended strand (participates in β ladder)trans-126.1149.5173.5580000110.8T145T145-T147 PolarHBondContact O-N 2.88Å
148S53.5Low65.2Low17 Ų1781.5 Ų81.512%0.11942%0.42CS..EExtended strand (participates in β ladder)trans-146.6147.7177.3-144.60000113.3F139 Y150 H153F139-S148 PolarHBondContact N-O 3.36Å; F139-S148 PolarHBondContact O-N 3.43Å; S148-Y150 PolarHBondContact O-N 2.88Å; S148-H153 VanDerWaalsContact OG-CB 3.25Å; S148-H153 WeakPolarHBondContact OG-CB 3.29Å
149R58.7Low65.8Low171 Ų17178 Ų7865%0.64540%0.403SS*.SBendtrans-72.3-11174-73.4-176.1-80.6164.9-10.2113.9L138L138-R149 HydrophobicContact CD2-CB 4.5Å; L138-R149 HydrophobicContact CD2-CG 3.59Å
150Y58.3Low66.1Low138 Ų13880.5 Ų80.554%0.54142%0.423SS..SBendtrans-130.8133.6-175.7-53.5-78.1000112S148 N152 H153 L154S148-Y150 PolarHBondContact O-N 2.88Å; Y150-N152 VanDerWaalsContact C-N 3.31Å; Y150-N152 WeakPolarHBondContact CB-OD1 3.39Å; Y150-N152 PolarHBondContact O-N 3.27Å; Y150-H153 WeakPolarHBondContact O-CB 3.33Å; Y150-H153 PolarHBondContact O-N 3.21Å; Y150-H153 VanDerWaalsContact O-N 3.13Å; Y150-L154 PolarHBondContact O-N 3.08Å
151S63.7Low66.6Low54 Ų5480 Ų8038%0.37841%0.411SS..Hα-helixtrans-64.9-31.8-177.862.60000113.2H153 L154 K155S151-H153 VanDerWaalsContact C-N 3.31Å; S151-H153 PolarHBondContact O-N 3.11Å; S151-L154 PolarHBondContact O-N 3Å; S151-K155 WeakPolarHBondContact O-CG 3.34Å; S151-K155 PolarHBondContact O-N 3.23Å
152N69.1Low66.5Low97 Ų9783.9 Ų83.952%0.51943%0.431SS..Hα-helixtrans-65.7-32.1174.767.3-19.2000112.4Y150 R156Y150-N152 VanDerWaalsContact C-N 3.31Å; Y150-N152 WeakPolarHBondContact CB-OD1 3.39Å; Y150-N152 PolarHBondContact O-N 3.27Å; N152-R156 VanDerWaalsContact O-CB 3.25Å; N152-R156 WeakPolarHBondContact O-CB 3.44Å; N152-R156 PolarHBondContact O-N 3.48Å
153H69.3Low66.3Low62 Ų6281 Ų8129%0.28742%0.419SS..Hα-helixtrans-71.6-40175.4-76.6-159.1000111.2S148 Y150 S151 R156 H157S148-H153 VanDerWaalsContact OG-CB 3.25Å; S148-H153 WeakPolarHBondContact OG-CB 3.29Å; Y150-H153 WeakPolarHBondContact O-CB 3.33Å; Y150-H153 PolarHBondContact O-N 3.21Å; Y150-H153 VanDerWaalsContact O-N 3.13Å; S151-H153 VanDerWaalsContact C-N 3.31Å; S151-H153 PolarHBondContact O-N 3.11Å; H153-R156 PolarHBondContact CD2-NH2 3.37Å; H153-R156 PolarHBondContact NE2-NH2 2.85Å; H153-R156 VanDerWaalsContact NE2-NH2 3.13Å; H153-R156 PolarHBondContact O-N 3Å; H153-H157 WeakPolarHBondContact O-CB 3.42Å; H153-H157 PolarHBondContact O-N 3.44Å
154L67.6Low66.4Low29 Ų2984.6 Ų84.615%0.15243%0.425CS..Hα-helixtrans-64.4-49.8171.4178.862.5000111.4F139 S140 C141 F146 Y150 S151 R156 H157 M158F139-L154 HydrophobicContact CB-CB 3.98Å; F139-L154 HydrophobicContact CB-CD2 3.77Å; F139-L154 HydrophobicContact CB-CG 4.49Å; S140-L154 WeakPolarHBondContact O-CD2 3.39Å; C141-L154 HydrophobicContact CB-CD1 3.84Å; F146-L154 HydrophobicContact CD1-CD1 4.22Å; Y150-L154 PolarHBondContact O-N 3.08Å; S151-L154 PolarHBondContact O-N 3Å; L154-R156 PolarHBondContact O-N 3.46Å; L154-H157 CarbonylContact O-C 3.58Å; L154-H157 WeakPolarHBondContact O-CA 3.34Å; L154-H157 WeakPolarHBondContact O-CB 3.39Å; L154-H157 PolarHBondContact O-N 3.08Å; L154-M158 HydrophobicContact CD1-CG 4.48Å; L154-M158 HydrophobicContact CD1-SD 4.07Å; L154-M158 HydrophobicContact CG-CG 4.5Å; L154-M158 WeakPolarHBondContact O-CG 3.31Å; L154-M158 PolarHBondContact O-N 3.12Å
155K71.1Confident66.6Low156 Ų15688.2 Ų88.268%0.67844%0.435SS*.Hα-helixtrans-54.4-41.3176.3-74.3179.3178.8-1740112.1S151 M158S151-K155 WeakPolarHBondContact O-CG 3.34Å; S151-K155 PolarHBondContact O-N 3.23Å; K155-M158 PolarHBondContact O-N 3.28Å
156R71.6Confident66.9Low107 Ų10785.5 Ų85.540%0.40442%0.419SS..Hα-helixtrans-67.1-36.9174.1-174.7175.466.8-165.9-11.3112.4N152 H153 L154 T159 Q178N152-R156 VanDerWaalsContact O-CB 3.25Å; N152-R156 WeakPolarHBondContact O-CB 3.44Å; N152-R156 PolarHBondContact O-N 3.48Å; H153-R156 PolarHBondContact CD2-NH2 3.37Å; H153-R156 PolarHBondContact NE2-NH2 2.85Å; H153-R156 VanDerWaalsContact NE2-NH2 3.13Å; H153-R156 PolarHBondContact O-N 3Å; L154-R156 PolarHBondContact O-N 3.46Å; R156-T159 PolarHBondContact O-OG1 3.41Å; R156-Q178 HydrophobicContact CG-CG 4.07Å
157H72.1Confident67.9Low32 Ų3285 Ų8515%0.14842%0.418CS..Hα-helixtrans-66.8-37.6174.1173.890.2000112.5C144 F146 H153 L154 T159 V160 H161C144-H157 VanDerWaalsContact SG-CE1 3.56Å; C144-H157 PolarHBondContact SG-NE2 3.41Å; F146-H157 HydrophobicContact CD1-CB 3.78Å; F146-H157 AromaticContact CD1-CD2 3.75Å; F146-H157 AromaticContact CD1-CG 3.42Å; F146-H157 VanDerWaalsContact CD1-CG 3.42Å; F146-H157 AromaticContact CD1-ND1 3.65Å; F146-H157 AromaticContact CD2-ND1 3.72Å; F146-H157 HydrophobicContact CE1-CB 3.56Å; F146-H157 AromaticContact CE1-CG 3.74Å; F146-H157 HydrophobicContact CG-CB 4.47Å; F146-H157 AromaticContact CG-CE1 3.63Å; F146-H157 AromaticContact CG-CG 3.75Å; F146-H157 AromaticContact CG-ND1 3.45Å; F146-H157 WeakPolarHBondContact CG-ND1 3.45Å; F146-H157 HydrophobicContact CZ-CB 4.09Å; H153-H157 WeakPolarHBondContact O-CB 3.42Å; H153-H157 PolarHBondContact O-N 3.44Å; L154-H157 CarbonylContact O-C 3.58Å; L154-H157 WeakPolarHBondContact O-CA 3.34Å; L154-H157 WeakPolarHBondContact O-CB 3.39Å; L154-H157 PolarHBondContact O-N 3.08Å; H157-T159 PolarHBondContact O-N 3.35Å; H157-T159 VanDerWaalsContact O-N 3.1Å; H157-V160 VanDerWaalsContact O-CB 3.24Å; H157-V160 WeakPolarHBondContact O-CB 3.48Å; H157-V160 VanDerWaalsContact O-CG2 3.31Å; H157-V160 WeakPolarHBondContact O-CG2 3.46Å; H157-V160 PolarHBondContact O-N 2.85Å; H157-H161 AromaticContact CD2-NE2 3.78Å; H157-H161 AromaticContact CE1-NE2 3.93Å; H157-H161 AromaticContact NE2-CD2 3.7Å; H157-H161 AromaticContact NE2-NE2 3.02Å; H157-H161 PolarHBondContact NE2-NE2 3.34Å
158M70.4Confident69.4Low41 Ų4190.6 Ų90.620%0.20243%0.43CS..Hα-helixtrans-57.1-28.7178.1-62.9-51.7-67.900113.1C141 L143 L154 K155 V160 H161 D162C141-M158 VanDerWaalsContact SG-SD 3.62Å; L143-M158 HydrophobicContact CD1-CE 4.07Å; L154-M158 HydrophobicContact CD1-CG 4.48Å; L154-M158 HydrophobicContact CD1-SD 4.07Å; L154-M158 HydrophobicContact CG-CG 4.5Å; L154-M158 WeakPolarHBondContact O-CG 3.31Å; L154-M158 PolarHBondContact O-N 3.12Å; K155-M158 PolarHBondContact O-N 3.28Å; M158-V160 PolarHBondContact O-N 3.42Å; M158-H161 PolarHBondContact O-N 2.86Å; M158-D162 PolarHBondContact O-N 2.9Å
159T69.9Low70.8Confident28 Ų2890.4 Ų90.417%0.17243%0.429CS..Hα-helixtrans-59-19.1173.369.60000114.7R156 H157 G163 A177R156-T159 PolarHBondContact O-OG1 3.41Å; H157-T159 PolarHBondContact O-N 3.35Å; H157-T159 VanDerWaalsContact O-N 3.1Å; T159-G163 PolarHBondContact O-N 2.99Å; T159-A177 WeakPolarHBondContact OG1-CB 3.47Å
160V69.1Low72Confident105 Ų10587.8 Ų87.864%0.63643%0.434SS*.Hα-helixtrans-70.1-40.7172.7-179.90000110.8H157 M158H157-V160 VanDerWaalsContact O-CB 3.24Å; H157-V160 WeakPolarHBondContact O-CB 3.48Å; H157-V160 VanDerWaalsContact O-CG2 3.31Å; H157-V160 WeakPolarHBondContact O-CG2 3.46Å; H157-V160 PolarHBondContact O-N 2.85Å; M158-V160 PolarHBondContact O-N 3.42Å
161H71.7Confident73.2Confident71 Ų7185.9 Ų85.933%0.32944%0.436SS..Hα-helixtrans-81.3-44.7179.2-58.8-67.9000111.7C141 L143 H157 M158 G163C141-H161 PolarHBondContact SG-NE2 2.79Å; C141-H161 VanDerWaalsContact SG-NE2 3.43Å; L143-H161 HydrophobicContact CD1-CB 3.53Å; H157-H161 AromaticContact CD2-NE2 3.78Å; H157-H161 AromaticContact CE1-NE2 3.93Å; H157-H161 AromaticContact NE2-CD2 3.7Å; H157-H161 AromaticContact NE2-NE2 3.02Å; H157-H161 PolarHBondContact NE2-NE2 3.34Å; M158-H161 PolarHBondContact O-N 2.86Å; H161-G163 PolarHBondContact O-N 3.5Å
162D70.9Confident74.2Confident91 Ų9185.3 Ų85.349%0.48743%0.431SS..SBendtrans-69.4-13.9-179.8-61.9-34.3000113.2M158 R164M158-D162 PolarHBondContact O-N 2.9Å; D162-R164 HydrophobicContact CB-CB 4.23Å; D162-R164 HydrophobicContact CB-CG 3.87Å; D162-R164 PolarHBondContact O-N 3.34Å
163G67.4Low74.8Confident48 Ų4887.3 Ų87.350%0.49545%0.45SS..  trans62.7-0.1-17300000115.2T159 H161 K165T159-G163 PolarHBondContact O-N 2.99Å; H161-G163 PolarHBondContact O-N 3.5Å; G163-K165 PolarHBondContact O-N 2.88Å
164R69.8Low75.4Confident182 Ų18288.6 Ų88.669%0.68745%0.453SS*.  trans-66.2120.4-172.8-72.6174.4-172.8-104.91.1110.9D162 P166D162-R164 HydrophobicContact CB-CB 4.23Å; D162-R164 HydrophobicContact CB-CG 3.87Å; D162-R164 PolarHBondContact O-N 3.34Å; R164-P166 VanDerWaalsContact C-CD 3.44Å; R164-P166 WeakPolarHBondContact O-CD 3.39Å
165K75.7Confident76Confident126 Ų12688.4 Ų88.455%0.54846%0.456SS..  trans-113.675.7178.1-69.3167.3-178.6178.60110.3G163 H167 A175 S176G163-K165 PolarHBondContact O-N 2.88Å; K165-H167 PolarHBondContact O-N 3.13Å; K165-A175 HydrophobicContact CB-CB 3.71Å; K165-A175 HydrophobicContact CD-CB 4.19Å; K165-S176 CarbonylContact C-O 3.58Å; K165-S176 WeakPolarHBondContact CA-O 3.49Å
166P74Confident76.5Confident88 Ų8881.2 Ų81.257%0.57143%0.425SS*.  trans-63.6-22.9-173.924.1-34.9000114.3R164R164-P166 VanDerWaalsContact C-CD 3.44Å; R164-P166 WeakPolarHBondContact O-CD 3.39Å
167H80.8Confident76.8Confident61 Ų6177.7 Ų77.728%0.28242%0.418SS..EExtended strand (participates in β ladder)trans-99.194.9-176.7-57-70.7000111K165 A175 S176 L179 L182K165-H167 PolarHBondContact O-N 3.13Å; H167-A175 CarbonylContact O-C 3.58Å; H167-A175 WeakPolarHBondContact O-CA 3.49Å; H167-S176 PolarHBondContact N-O 2.98Å; H167-S176 VanDerWaalsContact N-O 3.09Å; H167-S176 PolarHBondContact O-N 3.36Å; H167-S176 PolarHBondContact O-OG 3.43Å; H167-L179 PolarHBondContact CD2-N 3.17Å; H167-L179 PolarHBondContact NE2-N 3.25Å; H167-L182 HydrophobicContact CB-CB 4.01Å; H167-L182 HydrophobicContact CB-CD2 3.84Å
168R82Confident77.1Confident199 Ų19979.3 Ų79.375%0.75143%0.426SS*.EExtended strand (participates in β ladder)trans-87.8146.8176.5-68.7-178.6169.6172.9-4.5111.9A175 L182R168-A175 HydrophobicContact CG-CB 3.97Å; R168-L182 VanDerWaalsContact O-CD2 3.26Å; R168-L182 WeakPolarHBondContact O-CD2 3.45Å
169C84.5Confident77.5Confident13 Ų1381.5 Ų81.59%0.08844%0.438CS..  trans-79.9137.7170.3-176.40000110.3V171 C172 Y174 L182 H185 H189C169-V171 VanDerWaalsContact C-N 3.34Å; C169-V171 PolarHBondContact SG-N 2.99Å; C169-V171 VanDerWaalsContact SG-N 3.41Å; C169-C172 WeakPolarHBondContact CB-O 3.36Å; C169-Y174 WeakPolarHBondContact CB-O 3.31Å; C169-Y174 PolarHBondContact N-O 2.65Å; C169-L182 HydrophobicContact CB-CD1 3.86Å; C169-H185 PolarHBondContact SG-NE2 2.35Å; C169-H185 VanDerWaalsContact SG-NE2 3.43Å; C169-H189 PolarHBondContact SG-NE2 3.18Å; C169-H189 VanDerWaalsContact SG-NE2 3.41Å
170P83.4Confident77.7Confident116 Ų11684.7 Ų84.775%0.75346%0.457SS*.SBendtrans-77.8-17.217530.4-33.3000113.5L186P170-L186 HydrophobicContact CG-CD2 4.47Å
171V84Confident78.2Confident98 Ų9881.6 Ų81.659%0.59444%0.437SS*.SBendtrans-97.2-25.8-174.4-175.80000112.8C169 H189C169-V171 VanDerWaalsContact C-N 3.34Å; C169-V171 PolarHBondContact SG-N 2.99Å; C169-V171 VanDerWaalsContact SG-N 3.41Å; V171-H189 HydrophobicContact CG1-CB 4.5Å
172C84Confident78.7Confident41 Ų4179 Ų7928%0.27743%0.426SS..SBendtrans-153.2167.8-174.586.10000111.5C169 Y174 H185C169-C172 WeakPolarHBondContact CB-O 3.36Å; C172-Y174 PolarHBondContact O-N 3Å; C172-Y174 VanDerWaalsContact SG-CB 3.57Å; C172-H185 PolarHBondContact SG-NE2 3.44Å
173P82.6Confident79.1Confident140 Ų14079.3 Ų79.391%0.90942%0.424SS*.SBendtrans-71.413.2-174.730.2-36.4000114.8
174Y81.4Confident79.7Confident89 Ų8982.2 Ų82.235%0.34942%0.42SS..  trans-68.8131.6176.2-178.8-96.3000111.4C169 C172 L182 H185C169-Y174 WeakPolarHBondContact CB-O 3.31Å; C169-Y174 PolarHBondContact N-O 2.65Å; C172-Y174 PolarHBondContact O-N 3Å; C172-Y174 VanDerWaalsContact SG-CB 3.57Å; Y174-L182 HydrophobicContact CD1-CD1 4.46Å; Y174-H185 WeakPolarHBondContact CB-NE2 3.35Å; Y174-H185 HydrophobicContact CD1-CB 3.86Å; Y174-H185 AromaticContact CD1-CD2 3.32Å; Y174-H185 WeakPolarHBondContact CD1-CD2 3.45Å; Y174-H185 AromaticContact CD1-CG 3.37Å; Y174-H185 AromaticContact CD1-ND1 3.88Å; Y174-H185 AromaticContact CD1-NE2 3.8Å; Y174-H185 HydrophobicContact CE1-CB 3.59Å; Y174-H185 AromaticContact CE1-CG 3.64Å; Y174-H185 AromaticContact CG-CD2 3.76Å; Y174-H185 AromaticContact CG-CE1 3.77Å; Y174-H185 AromaticContact CG-CG 3.79Å; Y174-H185 AromaticContact CG-ND1 3.8Å; Y174-H185 AromaticContact CG-NE2 3.74Å
175A80.4Confident80.2Confident25 Ų2574.9 Ų74.921%0.20739%0.394CS..EExtended strand (participates in β ladder)trans-133.3146.5172.300000110.3K165 H167 R168K165-A175 HydrophobicContact CB-CB 3.71Å; K165-A175 HydrophobicContact CD-CB 4.19Å; H167-A175 CarbonylContact O-C 3.58Å; H167-A175 WeakPolarHBondContact O-CA 3.49Å; R168-A175 HydrophobicContact CG-CB 3.97Å
176S80.2Confident80.4Confident5 Ų571.7 Ų71.74%0.03538%0.382CS..EExtended strand (participates in β ladder)trans-137.3155.4-177.671.40000113.2K165 H167 Q178 L182K165-S176 CarbonylContact C-O 3.58Å; K165-S176 WeakPolarHBondContact CA-O 3.49Å; H167-S176 PolarHBondContact N-O 2.98Å; H167-S176 VanDerWaalsContact N-O 3.09Å; H167-S176 PolarHBondContact O-N 3.36Å; H167-S176 PolarHBondContact O-OG 3.43Å; S176-Q178 VanDerWaalsContact C-N 3.3Å; S176-Q178 PolarHBondContact O-N 3.26Å; S176-Q178 PolarHBondContact OG-O 3.49Å; S176-L182 PolarHBondContact OG-N 3.29Å
177A78.3Confident80.8Confident32 Ų3270.6 Ų70.626%0.26437%0.367SS..SBendtrans-76.6-11.5178.100000114.2T159T159-A177 WeakPolarHBondContact OG1-CB 3.47Å
178Q79.4Confident80.6Confident67 Ų6772 Ų7231%0.31338%0.38SS..SBendtrans-144.8134-172.8-56179.11900111.2R156 S176 V180 N181 L182R156-Q178 HydrophobicContact CG-CG 4.07Å; S176-Q178 VanDerWaalsContact C-N 3.3Å; S176-Q178 PolarHBondContact O-N 3.26Å; S176-Q178 PolarHBondContact OG-O 3.49Å; Q178-V180 VanDerWaalsContact C-N 3.26Å; Q178-V180 PolarHBondContact O-N 3.26Å; Q178-N181 WeakPolarHBondContact O-CB 3.25Å; Q178-N181 PolarHBondContact O-N 3.42Å; Q178-L182 PolarHBondContact O-N 3.12Å
179L77.3Confident80.4Confident86 Ų8666.2 Ų66.245%0.4536%0.361SS..Hα-helixtrans-54.6-38.1-178.2-176.761.1000113.6H167 N181 L182 Q183H167-L179 PolarHBondContact CD2-N 3.17Å; H167-L179 PolarHBondContact NE2-N 3.25Å; L179-N181 PolarHBondContact O-N 3.16Å; L179-L182 HydrophobicContact CD1-CD2 4.45Å; L179-L182 WeakPolarHBondContact O-CB 3.34Å; L179-L182 PolarHBondContact O-N 3.28Å; L179-L182 VanDerWaalsContact O-N 3.11Å; L179-Q183 HydrophobicContact CD1-CG 4.43Å; L179-Q183 HydrophobicContact CG-CG 4.34Å; L179-Q183 WeakPolarHBondContact O-CG 3.31Å; L179-Q183 PolarHBondContact O-N 3.35Å
180V75.9Confident80.1Confident96 Ų9669.5 Ų69.558%0.58238%0.381SS*.Hα-helixtrans-61.4-32.3177.5-176.80000112.2Q178 R184Q178-V180 VanDerWaalsContact C-N 3.26Å; Q178-V180 PolarHBondContact O-N 3.26Å; V180-R184 WeakPolarHBondContact O-CB 3.21Å; V180-R184 PolarHBondContact O-N 2.87Å; V180-R184 VanDerWaalsContact O-N 3.07Å
181N79.6Confident79.6Confident40 Ų4066.2 Ų66.221%0.21437%0.368CS..Hα-helixtrans-73-39.8175.1-71.8-38.4000111.4Q178 L179 R184 H185Q178-N181 WeakPolarHBondContact O-CB 3.25Å; Q178-N181 PolarHBondContact O-N 3.42Å; L179-N181 PolarHBondContact O-N 3.16Å; N181-R184 PolarHBondContact OD1-NH2 3.41Å; N181-H185 WeakPolarHBondContact O-CB 3.26Å; N181-H185 PolarHBondContact O-N 3.37Å
182L80.5Confident79.3Confident16 Ų1666.3 Ų66.38%0.08436%0.362CS..Hα-helixtrans-62.3-49.5171.7176.660.1000111.4H167 R168 C169 Y174 S176 Q178 L179 R184 H185 L186H167-L182 HydrophobicContact CB-CB 4.01Å; H167-L182 HydrophobicContact CB-CD2 3.84Å; R168-L182 VanDerWaalsContact O-CD2 3.26Å; R168-L182 WeakPolarHBondContact O-CD2 3.45Å; C169-L182 HydrophobicContact CB-CD1 3.86Å; Y174-L182 HydrophobicContact CD1-CD1 4.46Å; S176-L182 PolarHBondContact OG-N 3.29Å; Q178-L182 PolarHBondContact O-N 3.12Å; L179-L182 HydrophobicContact CD1-CD2 4.45Å; L179-L182 WeakPolarHBondContact O-CB 3.34Å; L179-L182 PolarHBondContact O-N 3.28Å; L179-L182 VanDerWaalsContact O-N 3.11Å; L182-R184 VanDerWaalsContact C-N 3.31Å; L182-R184 PolarHBondContact O-N 2.91Å; L182-H185 CarbonylContact O-C 3.6Å; L182-H185 WeakPolarHBondContact O-CA 3.42Å; L182-H185 WeakPolarHBondContact O-CB 3.3Å; L182-H185 PolarHBondContact O-N 3.05Å; L182-L186 HydrophobicContact CD1-CD2 4.25Å; L182-L186 HydrophobicContact CD1-CG 4.19Å; L182-L186 HydrophobicContact CG-CD1 4.36Å; L182-L186 HydrophobicContact CG-CG 4.35Å; L182-L186 WeakPolarHBondContact O-CG 3.44Å; L182-L186 PolarHBondContact O-N 3.21Å
183Q80.8Confident79.1Confident97 Ų9771 Ų7145%0.45338%0.378SS..Hα-helixtrans-57.2-42.6178.3-73.3173.3-27.900112.3L179 H185 L186L179-Q183 HydrophobicContact CD1-CG 4.43Å; L179-Q183 HydrophobicContact CG-CG 4.34Å; L179-Q183 WeakPolarHBondContact O-CG 3.31Å; L179-Q183 PolarHBondContact O-N 3.35Å; Q183-H185 VanDerWaalsContact C-N 3.31Å; Q183-H185 PolarHBondContact O-N 3.07Å; Q183-L186 PolarHBondContact O-N 3.15Å
184R80Confident78.9Confident109 Ų10967.5 Ų67.541%0.41136%0.355SS..Hα-helixtrans-65.2-33.4173.3175.9170.457.5174.5-1112.9V180 N181 L182 S206V180-R184 WeakPolarHBondContact O-CB 3.21Å; V180-R184 PolarHBondContact O-N 2.87Å; V180-R184 VanDerWaalsContact O-N 3.07Å; N181-R184 PolarHBondContact OD1-NH2 3.41Å; L182-R184 VanDerWaalsContact C-N 3.31Å; L182-R184 PolarHBondContact O-N 2.91Å; R184-S206 PolarHBondContact NH1-OG 3.03Å
185H78.9Confident78.9Confident29 Ų2966.3 Ų66.313%0.13435%0.35CS..Hα-helixtrans-71.9-37.9174.3169.872.6000112.2C169 C172 Y174 N181 L182 Q183 R187 T188 H189C169-H185 PolarHBondContact SG-NE2 2.35Å; C169-H185 VanDerWaalsContact SG-NE2 3.43Å; C172-H185 PolarHBondContact SG-NE2 3.44Å; Y174-H185 WeakPolarHBondContact CB-NE2 3.35Å; Y174-H185 HydrophobicContact CD1-CB 3.86Å; Y174-H185 AromaticContact CD1-CD2 3.32Å; Y174-H185 WeakPolarHBondContact CD1-CD2 3.45Å; Y174-H185 AromaticContact CD1-CG 3.37Å; Y174-H185 AromaticContact CD1-ND1 3.88Å; Y174-H185 AromaticContact CD1-NE2 3.8Å; Y174-H185 HydrophobicContact CE1-CB 3.59Å; Y174-H185 AromaticContact CE1-CG 3.64Å; Y174-H185 AromaticContact CG-CD2 3.76Å; Y174-H185 AromaticContact CG-CE1 3.77Å; Y174-H185 AromaticContact CG-CG 3.79Å; Y174-H185 AromaticContact CG-ND1 3.8Å; Y174-H185 AromaticContact CG-NE2 3.74Å; N181-H185 WeakPolarHBondContact O-CB 3.26Å; N181-H185 PolarHBondContact O-N 3.37Å; L182-H185 CarbonylContact O-C 3.6Å; L182-H185 WeakPolarHBondContact O-CA 3.42Å; L182-H185 WeakPolarHBondContact O-CB 3.3Å; L182-H185 PolarHBondContact O-N 3.05Å; Q183-H185 VanDerWaalsContact C-N 3.31Å; Q183-H185 PolarHBondContact O-N 3.07Å; H185-R187 PolarHBondContact O-N 2.95Å; H185-R187 VanDerWaalsContact O-N 3.15Å; H185-T188 WeakPolarHBondContact O-CB 3.39Å; H185-T188 PolarHBondContact O-N 3.23Å; H185-T188 PolarHBondContact O-OG1 3.1Å; H185-H189 AromaticContact CD2-NE2 3.93Å; H185-H189 AromaticContact CE1-NE2 3.56Å; H185-H189 AromaticContact NE2-CD2 3.83Å; H185-H189 AromaticContact NE2-NE2 3.04Å; H185-H189 PolarHBondContact NE2-NE2 3.44Å
186L80.7Confident78.8Confident58 Ų5867.1 Ų67.130%0.30436%0.361SS..Hα-helixtrans-57.8-32.2177.2-67.1174.5000112.4P170 L182 Q183 T188 H189 T190P170-L186 HydrophobicContact CG-CD2 4.47Å; L182-L186 HydrophobicContact CD1-CD2 4.25Å; L182-L186 HydrophobicContact CD1-CG 4.19Å; L182-L186 HydrophobicContact CG-CD1 4.36Å; L182-L186 HydrophobicContact CG-CG 4.35Å; L182-L186 WeakPolarHBondContact O-CG 3.44Å; L182-L186 PolarHBondContact O-N 3.21Å; Q183-L186 PolarHBondContact O-N 3.15Å; L186-T188 PolarHBondContact O-N 3.1Å; L186-T188 VanDerWaalsContact O-N 3.13Å; L186-H189 WeakPolarHBondContact O-CB 3.42Å; L186-H189 PolarHBondContact O-N 3.33Å; L186-T190 PolarHBondContact O-N 2.89Å; L186-T190 VanDerWaalsContact O-N 3.11Å
187R82.7Confident79Confident66 Ų6667.7 Ų67.725%0.24937%0.365CS..Hα-helixtrans-62.7-13.2172.4-62.3175.4-176.2175.1-1.8114.6H185 G191 E192 S205H185-R187 PolarHBondContact O-N 2.95Å; H185-R187 VanDerWaalsContact O-N 3.15Å; R187-G191 WeakPolarHBondContact O-CA 3.38Å; R187-G191 PolarHBondContact O-N 3.2Å; R187-G191 VanDerWaalsContact O-N 3.13Å; R187-E192 HydrophobicContact CG-CB 4.36Å; R187-S205 PolarHBondContact NH1-O 2.78Å
188T75.7Confident79.1Confident91 Ų9172.3 Ų72.356%0.55839%0.39SS*.Hα-helixtrans-79.8-21.117069.20000112.7H185 L186H185-T188 WeakPolarHBondContact O-CB 3.39Å; H185-T188 PolarHBondContact O-N 3.23Å; H185-T188 PolarHBondContact O-OG1 3.1Å; L186-T188 PolarHBondContact O-N 3.1Å; L186-T188 VanDerWaalsContact O-N 3.13Å
189H78.9Confident78.9Confident77 Ų7775.2 Ų75.236%0.35640%0.404SS..Hα-helixtrans-89.8-42.1174.6-57.9-60.2000111.3C169 V171 H185 L186 G191C169-H189 PolarHBondContact SG-NE2 3.18Å; C169-H189 VanDerWaalsContact SG-NE2 3.41Å; V171-H189 HydrophobicContact CG1-CB 4.5Å; H185-H189 AromaticContact CD2-NE2 3.93Å; H185-H189 AromaticContact CE1-NE2 3.56Å; H185-H189 AromaticContact NE2-CD2 3.83Å; H185-H189 AromaticContact NE2-NE2 3.04Å; H185-H189 PolarHBondContact NE2-NE2 3.44Å; L186-H189 WeakPolarHBondContact O-CB 3.42Å; L186-H189 PolarHBondContact O-N 3.33Å; H189-G191 VanDerWaalsContact C-N 3.3Å; H189-G191 PolarHBondContact O-N 3.31Å
190T76.4Confident79.2Confident82 Ų8273.4 Ų73.450%0.50340%0.398SS..Hα-helixtrans-78.3-13176.567.50000113.7L186 E192L186-T190 PolarHBondContact O-N 2.89Å; L186-T190 VanDerWaalsContact O-N 3.11Å; T190-E192 VanDerWaalsContact CB-OE1 3.26Å; T190-E192 WeakPolarHBondContact CB-OE1 3.49Å; T190-E192 PolarHBondContact O-N 3.15Å; T190-E192 VanDerWaalsContact O-N 3.15Å; T190-E192 WeakPolarHBondContact OG1-CG 3.45Å; T190-E192 PolarHBondContact OG1-OE1 3.16Å
191G74.9Confident79.5Confident47 Ų4775.2 Ų75.249%0.48541%0.414SS..  trans72.1-1.3-179.300000114.9R187 H189 K193R187-G191 WeakPolarHBondContact O-CA 3.38Å; R187-G191 PolarHBondContact O-N 3.2Å; R187-G191 VanDerWaalsContact O-N 3.13Å; H189-G191 VanDerWaalsContact C-N 3.3Å; H189-G191 PolarHBondContact O-N 3.31Å; G191-K193 PolarHBondContact O-N 2.83Å
192E76.5Confident79.7Confident100 Ų10077.7 Ų77.747%0.46742%0.421SS..  trans-57.3132.6-177.9-75.6163.7-133.100113R187 T190 P194R187-E192 HydrophobicContact CG-CB 4.36Å; T190-E192 VanDerWaalsContact CB-OE1 3.26Å; T190-E192 WeakPolarHBondContact CB-OE1 3.49Å; T190-E192 PolarHBondContact O-N 3.15Å; T190-E192 VanDerWaalsContact O-N 3.15Å; T190-E192 WeakPolarHBondContact OG1-CG 3.45Å; T190-E192 PolarHBondContact OG1-OE1 3.16Å; E192-P194 HydrophobicContact CB-CG 4.5Å
193K80Confident79.7Confident138 Ų13878.7 Ų78.760%0.643%0.432SS*.  trans-126.373.8176.7-66.8166.3-172.91700110.2G191 Y195 A203 C204G191-K193 PolarHBondContact O-N 2.83Å; K193-Y195 PolarHBondContact O-N 3.19Å; K193-A203 HydrophobicContact CB-CB 3.77Å; K193-A203 HydrophobicContact CD-CB 4.22Å; K193-C204 CarbonylContact C-O 3.34Å; K193-C204 WeakPolarHBondContact CA-O 3.43Å
194P78.9Confident79.6Confident67 Ų6774.5 Ų74.544%0.43541%0.413SS..  trans-67.1-9.5-171.9-20.834.7000114.8E192E192-P194 HydrophobicContact CB-CG 4.5Å
195Y80.7Confident79.4Confident64 Ų6470.7 Ų70.725%0.25140%0.403SS..EExtended strand (participates in β ladder)trans-117.689.9-175.5-49.6-65.9000110.3K193 A203 C204 S206 M207K193-Y195 PolarHBondContact O-N 3.19Å; Y195-A203 WeakPolarHBondContact O-CA 3.1Å; Y195-C204 PolarHBondContact N-O 2.86Å; Y195-C204 VanDerWaalsContact N-O 3.17Å; Y195-C204 PolarHBondContact O-N 2.95Å; Y195-S206 VanDerWaalsContact CD2-C 3.44Å; Y195-M207 HydrophobicContact CD1-CB 4.39Å; Y195-M207 HydrophobicContact CD1-CE 3.57Å; Y195-M207 HydrophobicContact CD1-SD 4.37Å; Y195-M207 HydrophobicContact CD2-CB 4.46Å; Y195-M207 VanDerWaalsContact CD2-N 3.28Å; Y195-M207 HydrophobicContact CE1-CB 4.27Å; Y195-M207 HydrophobicContact CE1-CE 3.73Å; Y195-M207 HydrophobicContact CE2-CB 4.31Å; Y195-M207 VanDerWaalsContact CE2-N 3.34Å; Y195-M207 HydrophobicContact CG-CB 4.48Å; Y195-M207 HydrophobicContact CG-CE 4.49Å
196G79.2Confident79.5Confident42 Ų4270 Ų7043%0.43340%0.402SS..EExtended strand (participates in β ladder)trans-78.3151.1170.100000112.6L210G196-L210 WeakPolarHBondContact O-CD1 3.48Å; G196-L210 VanDerWaalsContact O-CD2 3.3Å; G196-L210 WeakPolarHBondContact O-CD2 3.34Å
197C83.4Confident79Confident17 Ų1771 Ų7112%0.11541%0.406CS..  trans-85.3137.7166.9-172.80000110Q199 C200 Y202 L210 H213 H217C197-Q199 VanDerWaalsContact C-N 3.29Å; C197-Q199 PolarHBondContact SG-N 3.07Å; C197-Q199 VanDerWaalsContact SG-N 3.43Å; C197-C200 WeakPolarHBondContact CB-O 3.45Å; C197-Y202 WeakPolarHBondContact CB-O 3.43Å; C197-Y202 PolarHBondContact N-O 3.06Å; C197-L210 HydrophobicContact CB-CD1 3.87Å; C197-H213 PolarHBondContact SG-NE2 3Å; C197-H213 VanDerWaalsContact SG-NE2 3.43Å; C197-H217 PolarHBondContact SG-NE2 2.72Å; C197-H217 VanDerWaalsContact SG-NE2 3.38Å
198T79.8Confident78.5Confident129 Ų12970 Ų7079%0.79142%0.416SS*.SBendtrans-78.7-13.1175.649.10000113.4
199Q76.8Confident78.6Confident129 Ų12968 Ų6860%0.60340%0.402SS*.SBendtrans-109.1-7.8-174.2-67.1170.9-13.300113.3C197 H217C197-Q199 VanDerWaalsContact C-N 3.29Å; C197-Q199 PolarHBondContact SG-N 3.07Å; C197-Q199 VanDerWaalsContact SG-N 3.43Å; Q199-H217 PolarHBondContact OE1-CD2 3.35Å; Q199-H217 VanDerWaalsContact OE1-CD2 3.29Å
200C83.1Confident78.5Confident48 Ų4865 Ų6532%0.32439%0.388SS..SBendtrans-163.3169.3170.373.40000111C197 Y202 H213 H217C197-C200 WeakPolarHBondContact CB-O 3.45Å; C200-Y202 PolarHBondContact O-N 3.48Å; C200-Y202 VanDerWaalsContact SG-CB 3.54Å; C200-H213 PolarHBondContact SG-CE1 2.83Å; C200-H213 PolarHBondContact SG-NE2 3.24Å; C200-H217 VanDerWaalsContact SG-CE1 3.55Å; C200-H217 PolarHBondContact SG-NE2 2.89Å
201S82.3Confident78.4Confident133 Ų13368.9 Ų68.993%0.9339%0.394SS*.SBendtrans-68.313.3-179.955.60000116.2A203S201-A203 PolarHBondContact O-N 3.13Å
202Y82.6Confident78.1Confident92 Ų9273.8 Ų73.836%0.36140%0.398SS..  trans-74.8122.3176.3179.1-95.6000111.4C197 C200 C204 H213C197-Y202 WeakPolarHBondContact CB-O 3.43Å; C197-Y202 PolarHBondContact N-O 3.06Å; C200-Y202 PolarHBondContact O-N 3.48Å; C200-Y202 VanDerWaalsContact SG-CB 3.54Å; Y202-C204 HydrophobicContact CE1-CB 3.78Å; Y202-H213 VanDerWaalsContact CB-CE1 3.45Å; Y202-H213 WeakPolarHBondContact CB-CE1 3.47Å; Y202-H213 WeakPolarHBondContact CB-NE2 3.38Å; Y202-H213 HydrophobicContact CD1-CB 3.95Å; Y202-H213 AromaticContact CD1-CD2 3.42Å; Y202-H213 VanDerWaalsContact CD1-CD2 3.42Å; Y202-H213 WeakPolarHBondContact CD1-CD2 3.38Å; Y202-H213 AromaticContact CD1-CE1 3.77Å; Y202-H213 AromaticContact CD1-CG 3.35Å; Y202-H213 AromaticContact CD1-ND1 3.58Å; Y202-H213 AromaticContact CD1-NE2 3.68Å; Y202-H213 HydrophobicContact CE1-CB 3.68Å; Y202-H213 AromaticContact CE1-CG 3.62Å; Y202-H213 AromaticContact CE1-ND1 3.98Å; Y202-H213 AromaticContact CG-CE1 3.55Å; Y202-H213 AromaticContact CG-CG 3.92Å; Y202-H213 AromaticContact CG-ND1 3.65Å; Y202-H213 AromaticContact CG-NE2 3.77Å
203A80.4Confident78.1Confident38 Ų3870.5 Ų70.531%0.31438%0.383SS..EExtended strand (participates in β ladder)trans-124.7146.1171.900000111.4K193 Y195 S201K193-A203 HydrophobicContact CB-CB 3.77Å; K193-A203 HydrophobicContact CD-CB 4.22Å; Y195-A203 WeakPolarHBondContact O-CA 3.1Å; S201-A203 PolarHBondContact O-N 3.13Å
204C78.9Confident77.9Confident8 Ų867.3 Ų67.35%0.05437%0.37CS..EExtended strand (participates in β ladder)trans-143.4163.5-177.171.10000113.9K193 Y195 Y202 S206 N209 L210K193-C204 CarbonylContact C-O 3.34Å; K193-C204 WeakPolarHBondContact CA-O 3.43Å; Y195-C204 PolarHBondContact N-O 2.86Å; Y195-C204 VanDerWaalsContact N-O 3.17Å; Y195-C204 PolarHBondContact O-N 2.95Å; Y202-C204 HydrophobicContact CE1-CB 3.78Å; C204-S206 PolarHBondContact SG-O 3.3Å; C204-S206 VanDerWaalsContact SG-O 3.4Å; C204-N209 HydrophobicContact CB-CB 4.2Å; C204-L210 PolarHBondContact SG-N 3.1Å; C204-L210 VanDerWaalsContact SG-N 3.41Å
205S77.1Confident77.9Confident29 Ų2970.3 Ų70.320%0.20337%0.372CS..SBendtrans-83.7-5.6-175.356.40000115.1R187R187-S205 PolarHBondContact NH1-O 2.78Å
206S79.3Confident77.3Confident14 Ų1472.8 Ų72.810%0.09839%0.387CS..  trans-144.3124.4-171.7175.60000112.7R184 Y195 C204 G208 N209 L210R184-S206 PolarHBondContact NH1-OG 3.03Å; Y195-S206 VanDerWaalsContact CD2-C 3.44Å; C204-S206 PolarHBondContact SG-O 3.3Å; C204-S206 VanDerWaalsContact SG-O 3.4Å; S206-G208 VanDerWaalsContact C-N 3.25Å; S206-G208 PolarHBondContact O-N 3.27Å; S206-G208 VanDerWaalsContact O-N 3.13Å; S206-N209 WeakPolarHBondContact O-CA 3.41Å; S206-N209 WeakPolarHBondContact O-CB 3.22Å; S206-N209 PolarHBondContact O-N 3.49Å; S206-L210 PolarHBondContact O-N 2.92Å
207M72.2Confident77.1Confident81 Ų8173.3 Ų73.340%0.39938%0.379SS..Hα-helixtrans-52.6-36.9-178.8-179.360.879.600113.8Y195 N209 L210 R211Y195-M207 HydrophobicContact CD1-CB 4.39Å; Y195-M207 HydrophobicContact CD1-CE 3.57Å; Y195-M207 HydrophobicContact CD1-SD 4.37Å; Y195-M207 HydrophobicContact CD2-CB 4.46Å; Y195-M207 VanDerWaalsContact CD2-N 3.28Å; Y195-M207 HydrophobicContact CE1-CB 4.27Å; Y195-M207 HydrophobicContact CE1-CE 3.73Å; Y195-M207 HydrophobicContact CE2-CB 4.31Å; Y195-M207 VanDerWaalsContact CE2-N 3.34Å; Y195-M207 HydrophobicContact CG-CB 4.48Å; Y195-M207 HydrophobicContact CG-CE 4.49Å; M207-N209 VanDerWaalsContact C-N 3.26Å; M207-N209 PolarHBondContact O-N 3.5Å; M207-L210 PolarHBondContact O-N 2.92Å; M207-L210 VanDerWaalsContact O-N 3.15Å; M207-L210 HydrophobicContact SD-CD2 4.17Å; M207-R211 PolarHBondContact O-N 3Å; M207-R211 HydrophobicContact SD-CG 4.46Å
208G72.3Confident76.3Confident45 Ų4576.6 Ų76.646%0.46441%0.407SS..Hα-helixtrans-62.9-28.6174.900000114.3S206 R212S206-G208 VanDerWaalsContact C-N 3.25Å; S206-G208 PolarHBondContact O-N 3.27Å; S206-G208 VanDerWaalsContact O-N 3.13Å; G208-R212 WeakPolarHBondContact O-CB 3.43Å; G208-R212 PolarHBondContact O-N 2.84Å; G208-R212 VanDerWaalsContact O-N 3.15Å
209N75.9Confident75.1Confident49 Ų4978 Ų7826%0.26241%0.405SS..Hα-helixtrans-74.6-39.2172.8-71.8-26.3000111.1C204 S206 M207 R212 H213C204-N209 HydrophobicContact CB-CB 4.2Å; S206-N209 WeakPolarHBondContact O-CA 3.41Å; S206-N209 WeakPolarHBondContact O-CB 3.22Å; S206-N209 PolarHBondContact O-N 3.49Å; M207-N209 VanDerWaalsContact C-N 3.26Å; M207-N209 PolarHBondContact O-N 3.5Å; N209-R212 PolarHBondContact O-N 2.91Å; N209-R212 PolarHBondContact OD1-NH2 3.48Å; N209-H213 VanDerWaalsContact O-CB 3.29Å; N209-H213 WeakPolarHBondContact O-CB 3.37Å; N209-H213 PolarHBondContact O-N 2.95Å
210L76.8Confident73.4Confident12 Ų1277.3 Ų77.36%0.06341%0.409CS..Hα-helixtrans-61.1-49.8174.3177.159.6000111G196 C197 C204 S206 M207 R212 H213 Q214G196-L210 WeakPolarHBondContact O-CD1 3.48Å; G196-L210 VanDerWaalsContact O-CD2 3.3Å; G196-L210 WeakPolarHBondContact O-CD2 3.34Å; C197-L210 HydrophobicContact CB-CD1 3.87Å; C204-L210 PolarHBondContact SG-N 3.1Å; C204-L210 VanDerWaalsContact SG-N 3.41Å; S206-L210 PolarHBondContact O-N 2.92Å; M207-L210 PolarHBondContact O-N 2.92Å; M207-L210 VanDerWaalsContact O-N 3.15Å; M207-L210 HydrophobicContact SD-CD2 4.17Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 3.45Å; L210-H213 CarbonylContact O-C 3.56Å; L210-H213 WeakPolarHBondContact O-CB 3.41Å; L210-H213 PolarHBondContact O-N 3.39Å; L210-Q214 HydrophobicContact CD1-CG 4.02Å; L210-Q214 HydrophobicContact CG-CG 4.35Å; L210-Q214 WeakPolarHBondContact O-CG 3.46Å; L210-Q214 PolarHBondContact O-N 3.41Å
211R75.3Confident70.8Confident165 Ų16579.6 Ų79.662%0.62343%0.431SS*.Hα-helixtrans-58.1-42.1176.8-70.1-177.3179.3-164.2-2.1112.5M207 R215M207-R211 PolarHBondContact O-N 3Å; M207-R211 HydrophobicContact SD-CG 4.46Å; R211-R215 PolarHBondContact O-N 3.36Å
212R68.8Low68.5Low149 Ų14978.3 Ų78.356%0.56242%0.419SS*.Hα-helixtrans-65-38.8174.6175.4168.756.8175.4-4.7112.3G208 N209 L210G208-R212 WeakPolarHBondContact O-CB 3.43Å; G208-R212 PolarHBondContact O-N 2.84Å; G208-R212 VanDerWaalsContact O-N 3.15Å; N209-R212 PolarHBondContact O-N 2.91Å; N209-R212 PolarHBondContact OD1-NH2 3.48Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 PolarHBondContact O-N 3.45Å
213H76.4Confident66Low32 Ų3285.7 Ų85.715%0.14845%0.447CS..Hα-helixtrans-68.9-41.6177.4166.581.2000112.2C197 C200 Y202 N209 L210 R215 M216 H217C197-H213 PolarHBondContact SG-NE2 3Å; C197-H213 VanDerWaalsContact SG-NE2 3.43Å; C200-H213 PolarHBondContact SG-CE1 2.83Å; C200-H213 PolarHBondContact SG-NE2 3.24Å; Y202-H213 VanDerWaalsContact CB-CE1 3.45Å; Y202-H213 WeakPolarHBondContact CB-CE1 3.47Å; Y202-H213 WeakPolarHBondContact CB-NE2 3.38Å; Y202-H213 HydrophobicContact CD1-CB 3.95Å; Y202-H213 AromaticContact CD1-CD2 3.42Å; Y202-H213 VanDerWaalsContact CD1-CD2 3.42Å; Y202-H213 WeakPolarHBondContact CD1-CD2 3.38Å; Y202-H213 AromaticContact CD1-CE1 3.77Å; Y202-H213 AromaticContact CD1-CG 3.35Å; Y202-H213 AromaticContact CD1-ND1 3.58Å; Y202-H213 AromaticContact CD1-NE2 3.68Å; Y202-H213 HydrophobicContact CE1-CB 3.68Å; Y202-H213 AromaticContact CE1-CG 3.62Å; Y202-H213 AromaticContact CE1-ND1 3.98Å; Y202-H213 AromaticContact CG-CE1 3.55Å; Y202-H213 AromaticContact CG-CG 3.92Å; Y202-H213 AromaticContact CG-ND1 3.65Å; Y202-H213 AromaticContact CG-NE2 3.77Å; N209-H213 VanDerWaalsContact O-CB 3.29Å; N209-H213 WeakPolarHBondContact O-CB 3.37Å; N209-H213 PolarHBondContact O-N 2.95Å; L210-H213 CarbonylContact O-C 3.56Å; L210-H213 WeakPolarHBondContact O-CB 3.41Å; L210-H213 PolarHBondContact O-N 3.39Å; H213-R215 PolarHBondContact O-N 3.26Å; H213-M216 VanDerWaalsContact O-CB 3.22Å; H213-M216 WeakPolarHBondContact O-CB 3.45Å; H213-M216 WeakPolarHBondContact O-CG 3.37Å; H213-M216 PolarHBondContact O-N 2.8Å; H213-H217 AromaticContact CD2-NE2 3.77Å; H213-H217 AromaticContact CE1-CE1 3.96Å; H213-H217 AromaticContact CE1-NE2 3.53Å; H213-H217 AromaticContact NE2-CD2 3.89Å; H213-H217 AromaticContact NE2-CE1 3.78Å; H213-H217 AromaticContact NE2-NE2 2.95Å; H213-H217 PolarHBondContact NE2-NE2 3.14Å
214Q76.5Confident63.6Low70 Ų7093.4 Ų93.433%0.32747%0.473SS..Hα-helixtrans-59.7-30.7177.6-74.9167.8-42.900112.9L210 M216 H217 A218L210-Q214 HydrophobicContact CD1-CG 4.02Å; L210-Q214 HydrophobicContact CG-CG 4.35Å; L210-Q214 WeakPolarHBondContact O-CG 3.46Å; L210-Q214 PolarHBondContact O-N 3.41Å; Q214-M216 PolarHBondContact O-N 3.06Å; Q214-H217 PolarHBondContact O-N 3.31Å; Q214-A218 PolarHBondContact O-N 2.84Å
215R78.1Confident61.2Low130 Ų13097.5 Ų97.549%0.49151%0.508SS..Hα-helixtrans-63-18.1172.1-68-170-65-116.411.8114.2R211 H213R211-R215 PolarHBondContact O-N 3.36Å; H213-R215 PolarHBondContact O-N 3.26Å
216M67.6Low59Low116 Ų116104.5 Ų104.557%0.57154%0.537SS*.Hα-helixtrans-74.4-34.8174.4-59.8-60.9-56.700112.2H213 Q214 Q219H213-M216 VanDerWaalsContact O-CB 3.22Å; H213-M216 WeakPolarHBondContact O-CB 3.45Å; H213-M216 WeakPolarHBondContact O-CG 3.37Å; H213-M216 PolarHBondContact O-N 2.8Å; Q214-M216 PolarHBondContact O-N 3.06Å; M216-Q219 PolarHBondContact O-N 3.27Å
217H75Confident56.8Low54 Ų54113.6 Ų113.625%0.2558%0.575CS.*Hα-helixtrans-73.6-31.8177.5-58.3-51.8000111.8C197 Q199 C200 H213 Q214 Q219 V220C197-H217 PolarHBondContact SG-NE2 2.72Å; C197-H217 VanDerWaalsContact SG-NE2 3.38Å; Q199-H217 PolarHBondContact OE1-CD2 3.35Å; Q199-H217 VanDerWaalsContact OE1-CD2 3.29Å; C200-H217 VanDerWaalsContact SG-CE1 3.55Å; C200-H217 PolarHBondContact SG-NE2 2.89Å; H213-H217 AromaticContact CD2-NE2 3.77Å; H213-H217 AromaticContact CE1-CE1 3.96Å; H213-H217 AromaticContact CE1-NE2 3.53Å; H213-H217 AromaticContact NE2-CD2 3.89Å; H213-H217 AromaticContact NE2-CE1 3.78Å; H213-H217 AromaticContact NE2-NE2 2.95Å; H213-H217 PolarHBondContact NE2-NE2 3.14Å; Q214-H217 PolarHBondContact O-N 3.31Å; H217-Q219 PolarHBondContact O-N 3.12Å; H217-V220 PolarHBondContact O-N 3.46Å
218A66.6Low54.8Low86 Ų86116.6 Ų116.671%0.71159%0.593SS**THydrogen-bonded Turntrans-63.2-7174.500000114.5Q214Q214-A218 PolarHBondContact O-N 2.84Å
219Q55.8Low52.9Low159 Ų159123.8 Ų123.874%0.74361%0.614SS**THydrogen-bonded Turntrans-96.69.8176.8-67.2-171.2-13.200114.1M216 H217M216-Q219 PolarHBondContact O-N 3.27Å; H217-Q219 PolarHBondContact O-N 3.12Å
220V40.3Very low50.6Low114 Ų114126.3 Ų126.369%0.69164%0.642SS**  trans-123.981179-168.60000111.4H217 P222H217-V220 PolarHBondContact O-N 3.46Å; V220-P222 WeakPolarHBondContact O-CD 3.49Å
221A28.1Very low48.2Very low96 Ų96129.6 Ų129.679%0.79368%0.678SS**  trans-96.3102.9153.800000107.9R223A221-R223 PolarHBondContact O-N 3.24Å
222P34.1Very low45.9Very low105 Ų105132.4 Ų132.468%0.68269%0.689SS**  trans-70.5128.7173.329.4-31000108.6V220 K224V220-P222 WeakPolarHBondContact O-CD 3.49Å; P222-K224 PolarHBondContact O-N 2.92Å
223R30.8Very low43.6Very low248 Ų248129.4 Ų129.494%0.93669%0.691SS**  trans-58.9110.9165.8-69.7-176.5176.1-138-0.8107.6A221 A225A221-R223 PolarHBondContact O-N 3.24Å; R223-A225 PolarHBondContact O-N 3.16Å
224K30.3Very low41.3Very low200 Ų200135.4 Ų135.487%0.8772%0.719SS**PPolyproline II helixtrans-66.1120162-76.5-172.9175.8-176.90106.2P222P222-K224 PolarHBondContact O-N 2.92Å
225A28Very low38.8Very low94 Ų94140.7 Ų140.778%0.77774%0.743SS**PPolyproline II helixtrans-69.5128.7166.800000107.6R223R223-A225 PolarHBondContact O-N 3.16Å
226E30.6Very low36.3Very low176 Ų176143.2 Ų143.282%0.82276%0.761SS**PPolyproline II helixtrans-60136163.2-74155141.300108.7
227K34.4Very low34.2Very low204 Ų204146 Ų14689%0.88777%0.772SS**  trans-133.6105.8160.6-97.9-163.4170.9-166.20106.5H229K227-H229 PolarHBondContact O-N 3.12Å
228D29.8Very low32.1Very low144 Ų144148.5 Ų148.577%0.7779%0.793SS**  trans-69.4124.5172.6-49.5-67.9000109.9
229H31.9Very low30Very low196 Ų196149 Ų14991%0.90779%0.792SS**  trans-155.5144.1132.7-118.755.7000112.2K227K227-H229 PolarHBondContact O-N 3.12Å
230A28.3Very low28.6Very low103 Ų103146.6 Ų146.685%0.85179%0.792SS**  trans-85.3156.4-17500000112.4
231G26.1Very low27.9Very low80 Ų80150.4 Ų150.483%0.82580%0.803SS**  trans179.9104.817600000112.4
232R25.6Very low27.7Very low224 Ų224153.6 Ų153.685%0.84581%0.806SS**  trans-66.3168.5-176.8-169.9-178.4-173.8-151.9-0.7114.3
233S22.3Very low27.6Very low87 Ų87153.7 Ų153.761%0.60881%0.806SS**  trans67.5150157.234.40000116.9
234E26.4Very low27.4Very low157 Ų157149.4 Ų149.473%0.73480%0.801SS**  cis-162.4151.7-8.6-110.5147.6-158.700108.2
235E25Very low27.1Very low181 Ų181148.4 Ų148.485%0.84680%0.8SS**  trans47.3171.1149.6-56.1-167.2151.400124.5
236E26.2Very low26.9Very low184 Ų184150.2 Ų150.286%0.8680%0.796SS**  trans7786.9168.9-55-159.8150.400121.3
237E23.8Very low26.9Very low174 Ų174149.1 Ų149.181%0.81379%0.791SS**  -68.4150.7129.1-88.8-81154.400108.9
238P30.7Very low26.5Very low106 Ų106143.1 Ų143.169%0.68877%0.774SS**  -154.514897.340.2-22000118.8
239S21.8Very low26.3Very low97 Ų97146.1 Ų146.168%0.67878%0.776SS**  trans63122133.467.90000121.9
240S25.4Very low26.1Very low108 Ų108142.7 Ų142.776%0.75576%0.764SS**  -173.9113.3111.257.10000113.2
241E26.3Very low26.1Very low194 Ų194145 Ų14591%0.90776%0.757SS**  trans66126.2132.1-56.7-168.2147.300123.5
242L23.4Very low26.1Very low164 Ų164147.4 Ų147.486%0.85976%0.756SS**  trans-90175.8161-60.8166.3000109.4
243P33.3Very low26Very low107 Ų107141.8 Ų141.870%0.69576%0.758SS**  -149.1147.588.632.4-13000117.2
244L24.9Very low26.1Very low157 Ų157141.6 Ų141.682%0.82277%0.769SS**  trans56.5150.4139.3-56.3165.6000118.6
245E25.1Very low25.9Very low180 Ų180140 Ų14084%0.84178%0.775SS**  cis-150.6169.331-74.8178.7163.300109.1
246D23Very low25.9Very low131 Ų131136.4 Ų136.470%0.70178%0.777SS**  cis-166.7180-28.6-165.11.3000107.7
247H32.2Very low25.7Very low154 Ų154131 Ų13171%0.71377%0.771SS**  trans83.381164.7-75.6-59.9000122.3
248S24.2Very low26.4Very low77 Ų77128.3 Ų128.354%0.53877%0.768SS.*  28.8127110.867.60000122
249Y27.5Very low26.1Very low207 Ų207131.1 Ų131.181%0.81278%0.778SS**  179.7113111.7-112-94.7000107.1
250L26.6Very low26.3Very low125 Ų125131.7 Ų131.765%0.65478%0.781SS**  54.2129.380-64.4-176000113.1
251Q27.6Very low26.4Very low150 Ų150132.7 Ų132.770%0.70179%0.785SS**  cis-167.1164.48.8-145.9155.2-14.300114.2
252T26Very low26.4Very low132 Ų132131 Ų13181%0.8178%0.781SS**  trans72.4128.8149.229.60000124.3
253A23.7Very low26.6Very low106 Ų106129.2 Ų129.288%0.87678%0.78SS**  trans-72.8171.6166.500000115.3
254G24.1Very low26.3Very low83 Ų83128.4 Ų128.486%0.85678%0.782SS**  trans176131.1165.200000112.7
255S24Very low26.2Very low122 Ų122129.1 Ų129.185%0.85379%0.786SS**  trans-118.6136.7-171.855.40000113.4
256A24.7Very low26Very low107 Ų107127.6 Ų127.688%0.88478%0.783SS**  trans-176.7148.1148.300000111.8
257G21.2Very low26.3Very low71 Ų71126.6 Ų126.673%0.73278%0.781SS**  trans-119.3-157.3153.900000108.6
258P38.7Very low26Very low116 Ų116125 Ų12575%0.75379%0.785SS**  cis-123.7-179.1-7.441.8-28000112.6
259D24.9Very low26Very low166 Ų166128.3 Ų128.389%0.88880%0.796SS**  trans-165.7150.5139.5-103.2-28.2000110.8
260S24.7Very low25.7Very low108 Ų108124.2 Ų124.276%0.75580%0.796SS**  trans-132.1159.8-175.7-55.90000110.2
261P28.2Very low25.7Very low129 Ų129122.6 Ų122.684%0.83880%0.795SS**  -142.6155.680.833-14.4000115.8
262L27.1Very low25.6Very low158 Ų158122.8 Ų122.883%0.82780%0.8SS**  trans-78.1167.2164.3-65.6168.2000110.4
263P26.8Very low25.7Very low128 Ų128121.4 Ų121.483%0.83179%0.791SS**  -134.2151.695.736.2-26.5000114.2
264A26.1Very low25.8Very low90 Ų90123 Ų12374%0.74479%0.785SS**  trans-73.4152.1171.400000111.7
265L23.1Very low25.8Very low171 Ų171122.2 Ų122.290%0.89578%0.776SS**  trans-151.7150.8143.3-106.5176.8000110.6
266L22.7Very low25.8Very low148 Ų148123.1 Ų123.178%0.77577%0.77SS**  trans-86131.8-168.4-66.299.5000113.4
267V29Very low25.8Very low111 Ų111130.2 Ų130.267%0.67377%0.774SS**  28.2125.7126.5-164.10000117.1L269V267-L269 HydrophobicContact CG1-CB 4.15Å; V267-L269 HydrophobicContact CG1-CG 4.24Å
268P24.5Very low26.1Very low120 Ų120133.9 Ų133.978%0.77978%0.776SS**  -127104.7107.534.8-29.2000113.2C270P268-C270 PolarHBondContact O-N 3.02Å
269L25.2Very low25.7Very low147 Ų147137.2 Ų137.277%0.7778%0.782SS**  trans-75.7106.5155.5-74.9167.7000106.9V267 S271V267-L269 HydrophobicContact CG1-CB 4.15Å; V267-L269 HydrophobicContact CG1-CG 4.24Å; L269-S271 PolarHBondContact O-N 3.35Å
270C21.6Very low25.9Very low121 Ų121137.1 Ų137.182%0.81878%0.781SS**  trans-70.177.5171.8-75.10000111.1P268 L272P268-C270 PolarHBondContact O-N 3.02Å; C270-L272 PolarHBondContact O-N 3.05Å
271S26.5Very low26Very low90 Ų90136.8 Ų136.863%0.62978%0.775SS**  trans-76.298.7167.2-64.10000109.5L269 T273L269-S271 PolarHBondContact O-N 3.35Å; S271-T273 PolarHBondContact O-N 3.48Å
272L24.3Very low25.8Very low154 Ų154138.4 Ų138.481%0.80678%0.775SS**  trans-74.286.7170.8-88.1163000110.5C270 L274C270-L272 PolarHBondContact O-N 3.05Å; L272-L274 PolarHBondContact O-N 3.28Å
273T28.8Very low25.9Very low103 Ų103135.8 Ų135.863%0.63277%0.766SS**  trans-84.7101.4170.247.20000110.8S271 G275S271-T273 PolarHBondContact O-N 3.48Å; T273-G275 PolarHBondContact O-N 3.29Å; T273-G275 VanDerWaalsContact O-N 3.1Å
274L25.1Very low25.9Very low141 Ų141134.6 Ų134.674%0.73876%0.76SS**  trans-72.996.1166.9-105.687.8000110.3L272 L276L272-L274 PolarHBondContact O-N 3.28Å; L274-L276 PolarHBondContact O-N 3.04Å
275G24.6Very low25.9Very low65 Ų65135.2 Ų135.267%0.6775%0.754SS**  trans-80.189.6173.800000112.6T273 R277T273-G275 PolarHBondContact O-N 3.29Å; T273-G275 VanDerWaalsContact O-N 3.1Å; G275-R277 PolarHBondContact O-N 3.06Å
276L24.8Very low26Very low141 Ų141132.3 Ų132.374%0.73875%0.749SS**  trans-82.6101.4166.3-76.1169.2000110L274 L278L274-L276 PolarHBondContact O-N 3.04Å; L276-L278 PolarHBondContact O-N 3.46Å
277R23.8Very low26.2Very low256 Ų256131.5 Ų131.597%0.96675%0.75SS**  trans-74.791.5168.6-90.5-168.8173.1-166.7-0.9110.6G275G275-R277 PolarHBondContact O-N 3.06Å
278L26.8Very low26Very low148 Ų148131.7 Ų131.778%0.77576%0.756SS**SBendtrans-107.6150.4146.7-73.1165.8000107.3L276 D280L276-L278 PolarHBondContact O-N 3.46Å; L278-D280 PolarHBondContact O-N 3.35Å; L278-D280 VanDerWaalsContact O-N 3.11Å
279Q30.4Very low26.1Very low187 Ų187133.5 Ų133.587%0.87476%0.759SS**THydrogen-bonded Turntrans-47.5116.7-165.2-77.7150.1-39.200112.9V281Q279-V281 PolarHBondContact O-N 2.94Å
280D29.2Very low26Very low163 Ų163135 Ų13587%0.87276%0.764SS**THydrogen-bonded Turntrans58.938.1166.5-50.1-29.4000118.9L278L278-D280 PolarHBondContact O-N 3.35Å; L278-D280 VanDerWaalsContact O-N 3.11Å
281V26.8Very low26.6Very low102 Ų102138.4 Ų138.462%0.61877%0.768SS**  trans-135.9120.5161.4-1710000112Q279 V283Q279-V281 PolarHBondContact O-N 2.94Å; V281-V283 HydrophobicContact CG1-CG2 4Å
282L25.5Very low26.5Very low163 Ų163140.8 Ų140.885%0.85378%0.779SS**  trans-100121.6166.2-90166.8000109.8
283V28.3Very low26.8Very low103 Ų103139.2 Ų139.262%0.62478%0.782SS**  trans-110.2117.6171.5-177.50000108.5V281 V285V281-V283 HydrophobicContact CG1-CG2 4Å; V283-V285 HydrophobicContact CG1-CG2 4.37Å
284S26.1Very low27.2Very low102 Ų102138.3 Ų138.371%0.71379%0.792SS**  trans-101.2139.7169.251.20000110.1
285V27.4Very low27.3Very low103 Ų103137.7 Ų137.762%0.62479%0.794SS**  trans-125.2126.3175.1-179.50000107.3V283V283-V285 HydrophobicContact CG1-CG2 4.37Å
286S24.2Very low27.4Very low111 Ų111143 Ų14378%0.77680%0.799SS**  trans-130.1135.9176.251.70000110.3
287T26.6Very low27.5Very low130 Ų130145.7 Ų145.780%0.79881%0.807SS**  trans-115.7114.6177.9530000109.1
288S25.2Very low27.7Very low115 Ų115137.8 Ų137.880%0.80479%0.787SS**  trans-101.8124.7169.350.20000110.3
289N26.7Very low27.8Very low159 Ų159135.3 Ų135.385%0.8578%0.782SS**  trans-87.8131.6169.4-73.8-18.1000108.9
290M23.1Very low27.5Very low177 Ų177134.7 Ų134.787%0.87278%0.779SS**  trans-126.6125.7160.6-71.1-15878.900109.5
291E34.6Very low27.5Very low193 Ų193134.4 Ų134.490%0.90277%0.77SS**  trans-79.2120.5178.6-60.1-177.6140.600110.3
292T24.8Very low27.6Very low140 Ų140136.2 Ų136.286%0.85977%0.772SS**  trans-143.5148.615943.70000110.1
293S30.9Very low27.6Very low122 Ų122136.8 Ų136.885%0.85377%0.768SS**  trans-80.9143.9-165.9450000114.1
294G36.2Very low27.5Very low83 Ų83137.6 Ų137.686%0.85677%0.768SS**SBendtrans91.37.4146.200000119.7
295V27Very low27.6Very low129 Ų129141.9 Ų141.978%0.78277%0.771SS**SBendtrans-133.8141.7171.3-171.70000112.2H297V295-H297 PolarHBondContact O-N 3.21Å
296K27.6Very low27.6Very low175 Ų175142.8 Ų142.876%0.76178%0.776SS**  trans-17.6113.3175.6-60.3167.7-174.6166.10115.2V298K296-V298 PolarHBondContact O-N 3.05Å; K296-V298 VanDerWaalsContact O-N 3.13Å
297H26.5Very low27.7Very low199 Ų199143.4 Ų143.492%0.92177%0.767SS**  trans-52.9120.2163.4-73.6-85000110.7V295V295-H297 PolarHBondContact O-N 3.21Å
298V26.8Very low27.8Very low89 Ų89142.2 Ų142.254%0.53976%0.763SS.*  trans-121.4117.5164.6174.20000105.1K296 H300K296-V298 PolarHBondContact O-N 3.05Å; K296-V298 VanDerWaalsContact O-N 3.13Å; V298-H300 PolarHBondContact O-N 3.11Å
299S28.8Very low27.8Very low96 Ų96144.6 Ų144.667%0.67176%0.762SS**  trans-66.7105.1173-45.80000108.4F301S299-F301 PolarHBondContact O-N 2.91Å
300H25.8Very low27.9Very low174 Ų174140.6 Ų140.681%0.80676%0.758SS**  trans-73.3104.9172.3-88.8-105.8000108.8V298V298-H300 PolarHBondContact O-N 3.11Å
301F29.3Very low28Very low158 Ų158140 Ų14069%0.69376%0.758SS**  trans-92.6112.1164.5-74.7-82.9000108.6S299 F303S299-F301 PolarHBondContact O-N 2.91Å; F301-F303 HydrophobicContact CB-CE2 4.29Å
302Q27.3Very low28.2Very low139 Ų139140.5 Ų140.565%0.6576%0.758SS**  trans-94.4122.9172.9-170.8161.3-43.500108.5D304Q302-D304 PolarHBondContact NE2-OD1 2.82Å; Q302-D304 PolarHBondContact NE2-OD2 3.15Å
303F26.6Very low28.5Very low176 Ų176138.9 Ų138.977%0.77275%0.753SS**  trans-113.697.8172.7-83-85.7000107.7F301F301-F303 HydrophobicContact CB-CE2 4.29Å
304D26.4Very low28.2Very low119 Ų119140.9 Ų140.964%0.63675%0.753SS**  trans-88.3108.5175-67.2-34.8000108.9Q302Q302-D304 PolarHBondContact NE2-OD1 2.82Å; Q302-D304 PolarHBondContact NE2-OD2 3.15Å
305Y27.2Very low27.7Very low193 Ų193148.4 Ų148.476%0.75776%0.756SS**  trans-88.8110.8173.3179.7-100.9000109.2Q307Y305-Q307 HydrophobicContact CE1-CB 3.79Å
306V28.3Very low27.6Very low122 Ų122147.5 Ų147.574%0.73975%0.753SS**  trans-104.7110.5175.4-177.10000108.8
307Q26.6Very low27.4Very low124 Ų124147.2 Ų147.258%0.57976%0.755SS**  trans-101.9105.4164.2-176.7176.1-4.700108Y305 E309Y305-Q307 HydrophobicContact CE1-CB 3.79Å; Q307-E309 PolarHBondContact NE2-OE1 2.87Å
308S28.1Very low27.5Very low104 Ų104145 Ų14573%0.72775%0.748SS**  trans-94.899.6172.557.30000110
309E25.7Very low27.3Very low165 Ų165148.4 Ų148.477%0.77176%0.755SS**  trans-76.7130157.2-57-103.5146.100106.6Q307Q307-E309 PolarHBondContact NE2-OE1 2.87Å
310G28.6Very low27.2Very low75 Ų75149.3 Ų149.377%0.77376%0.757SS**  trans-74.4141.3-161.800000115
311N24.6Very low27.1Very low164 Ų164150.5 Ų150.588%0.87776%0.76SS**  -159.4149.298-131.5-18.3000111.4
312F38.1Very low27.2Very low205 Ų205152.1 Ų152.190%0.89977%0.767SS**SBendtrans-70.9143.2175.4-105.7-105.1000110.7
313S31Very low27.1Very low106 Ų106151.8 Ų151.874%0.74177%0.774SS**SBendtrans96.452.4176.4-47.60000117.6
314N26Very low27.3Very low163 Ų163150.3 Ų150.387%0.87277%0.773SS**SBend-168.9154.7125.9-98.5-43000112.1P316N314-P316 WeakPolarHBondContact O-CD 3.25Å
315R26.1Very low27.4Very low241 Ų241151.2 Ų151.291%0.90977%0.774SS**  trans-63.2115.4-171.2-170.9-173.4-165.5-163.96.8112.1
316P23.6Very low27.5Very low111 Ų111148.3 Ų148.372%0.72178%0.776SS**  trans-78.8125.6177.530.4-32.6000111.4N314 I318N314-P316 WeakPolarHBondContact O-CD 3.25Å; P316-I318 PolarHBondContact O-N 2.82Å
317E23.5Very low27.8Very low169 Ų169149 Ų14979%0.7977%0.774SS**  trans-72.6121.2171.7-67.8-171.9150.800111.3K319E317-K319 PolarHBondContact O-N 3.41Å
318I28.8Very low28Very low151 Ų151146 Ų14677%0.77477%0.767SS**  trans-77.794.8-178.8-52.9175.4000110P316 T320P316-I318 PolarHBondContact O-N 2.82Å; I318-T320 HydrophobicContact CG2-CG2 3.9Å; I318-T320 PolarHBondContact O-N 3.04Å
319K23.6Very low28.4Very low161 Ų161147.2 Ų147.270%0.776%0.764SS**  trans-74.691.2170.4-72.6-179.9-179.5171.80110.6E317 F321E317-K319 PolarHBondContact O-N 3.41Å; K319-F321 HydrophobicContact CB-CE2 4.47Å; K319-F321 WeakPolarHBondContact O-CD2 3.49Å; K319-F321 PolarHBondContact O-N 3.41Å
320T25.2Very low28.9Very low115 Ų115142.3 Ų142.371%0.70675%0.751SS**  trans-71.3104.5179.549.10000112.4I318 K322I318-T320 HydrophobicContact CG2-CG2 3.9Å; I318-T320 PolarHBondContact O-N 3.04Å; T320-K322 PolarHBondContact O-N 3.43Å; T320-K322 VanDerWaalsContact O-N 3.14Å
321F24.6Very low29.1Very low199 Ų199143.1 Ų143.187%0.87374%0.738SS**  trans-80.791.3174.4-82.1-86.2000112.1K319 T323K319-F321 HydrophobicContact CB-CE2 4.47Å; K319-F321 WeakPolarHBondContact O-CD2 3.49Å; K319-F321 PolarHBondContact O-N 3.41Å; F321-T323 PolarHBondContact O-N 2.92Å; F321-T323 VanDerWaalsContact O-N 3.12Å
322K31.9Very low29.8Very low193 Ų193142.7 Ų142.784%0.83973%0.725SS**  trans-69.898.3169.1-84.5-179.4174.9171.80111.9T320T320-K322 PolarHBondContact O-N 3.43Å; T320-K322 VanDerWaalsContact O-N 3.14Å
323T23.9Very low30.1Very low131 Ų131138.6 Ų138.680%0.80471%0.709SS**  trans-173.7100.6134.3130000112.8F321F321-T323 PolarHBondContact O-N 2.92Å; F321-T323 VanDerWaalsContact O-N 3.12Å
324I32.6Very low30.6Very low146 Ų146140.1 Ų140.175%0.74970%0.704SS**  trans-97.1114.4163.5-62.9172.9000107.6
325Q28.3Very low31.7Very low138 Ų138135.7 Ų135.765%0.64569%0.686SS**PPolyproline II helixtrans-79.1130.4173.4-75.7-171.3-0.300110.4I327Q325-I327 PolarHBondContact O-N 3.13Å
326T29.5Very low32.8Very low131 Ų131127 Ų12780%0.80466%0.657SS**PPolyproline II helixtrans-69.1116.8174.536.90000111.2
327I34.4Very low34.3Very low138 Ų138127.6 Ų127.671%0.70865%0.65SS**PPolyproline II helixtrans-90.4133.7169.9-59176.5000107.9Q325 D331Q325-I327 PolarHBondContact O-N 3.13Å; I327-D331 HydrophobicContact CG2-CB 4Å
328S29.5Very low35.5Very low61 Ų61124.4 Ų124.443%0.42764%0.635SS.*PPolyproline II helixtrans-85.7151175.987.80000111.1A330 D331 Y332S328-A330 PolarHBondContact O-N 3.13Å; S328-A330 VanDerWaalsContact O-N 3.16Å; S328-D331 WeakPolarHBondContact CB-OD2 3.38Å; S328-D331 PolarHBondContact N-OD2 3.45Å; S328-D331 WeakPolarHBondContact O-CB 3.46Å; S328-D331 PolarHBondContact O-N 2.83Å; S328-D331 PolarHBondContact OG-OD2 2.8Å; S328-Y332 PolarHBondContact O-N 2.85Å
329I36.9Very low36.7Very low129 Ų129123.1 Ų123.166%0.66262%0.621SS**Hα-helixtrans-57-34.6-177.7-62.3170.4000111.6D331 Y332 E333I329-D331 VanDerWaalsContact C-N 3.33Å; I329-D331 PolarHBondContact O-N 2.91Å; I329-Y332 WeakPolarHBondContact O-CB 3.35Å; I329-Y332 PolarHBondContact O-N 2.89Å; I329-Y332 VanDerWaalsContact O-N 3.11Å; I329-E333 HydrophobicContact CG2-CG 4.43Å; I329-E333 PolarHBondContact O-N 2.95Å
330A36.9Very low38.2Very low61 Ų61121 Ų12150%0.50461%0.612SS.*Hα-helixtrans-66.8-30.5176.400000113.6S328 Y332 H334S328-A330 PolarHBondContact O-N 3.13Å; S328-A330 VanDerWaalsContact O-N 3.16Å; A330-Y332 VanDerWaalsContact C-N 3.31Å; A330-H334 WeakPolarHBondContact O-CB 3.35Å; A330-H334 PolarHBondContact O-N 3.49Å
331D32.3Very low39.6Very low92 Ų92117.5 Ų117.549%0.49259%0.589SS.*Hα-helixtrans-72.4-29.7173.6-58.3-68.4000111I327 S328 I329 S335I327-D331 HydrophobicContact CG2-CB 4Å; S328-D331 WeakPolarHBondContact CB-OD2 3.38Å; S328-D331 PolarHBondContact N-OD2 3.45Å; S328-D331 WeakPolarHBondContact O-CB 3.46Å; S328-D331 PolarHBondContact O-N 2.83Å; S328-D331 PolarHBondContact OG-OD2 2.8Å; I329-D331 VanDerWaalsContact C-N 3.33Å; I329-D331 PolarHBondContact O-N 2.91Å; D331-S335 WeakPolarHBondContact O-CB 3.44Å; D331-S335 PolarHBondContact O-N 3.5Å; D331-S335 PolarHBondContact O-OG 3.23Å
332Y40.1Very low40.9Very low155 Ų155112.6 Ų112.661%0.60858%0.575SS**Hα-helixtrans-73.2-47.7174.8-171.6-107.1000111.5S328 I329 A330 H334 S335 L336S328-Y332 PolarHBondContact O-N 2.85Å; I329-Y332 WeakPolarHBondContact O-CB 3.35Å; I329-Y332 PolarHBondContact O-N 2.89Å; I329-Y332 VanDerWaalsContact O-N 3.11Å; A330-Y332 VanDerWaalsContact C-N 3.31Å; Y332-H334 PolarHBondContact O-N 3.43Å; Y332-S335 CarbonylContact O-C 3.53Å; Y332-S335 WeakPolarHBondContact O-CA 3.37Å; Y332-S335 WeakPolarHBondContact O-CB 3.36Å; Y332-S335 PolarHBondContact O-N 2.8Å; Y332-S335 VanDerWaalsContact O-N 3.13Å; Y332-L336 HydrophobicContact CD1-CD1 3.97Å; Y332-L336 HydrophobicContact CE1-CD1 3.45Å; Y332-L336 VanDerWaalsContact CE1-CD1 3.45Å; Y332-L336 WeakPolarHBondContact O-CB 3.37Å; Y332-L336 PolarHBondContact O-N 2.91Å
333E44.3Very low41.8Very low120 Ų120111.5 Ų111.556%0.56157%0.567SS**Hα-helixtrans-58.3-47.9177.2-71.9174.5158.100112.4I329 S335 L336 E337I329-E333 HydrophobicContact CG2-CG 4.43Å; I329-E333 PolarHBondContact O-N 2.95Å; E333-S335 VanDerWaalsContact C-N 3.26Å; E333-S335 PolarHBondContact O-N 3.49Å; E333-L336 WeakPolarHBondContact O-CB 3.23Å; E333-L336 PolarHBondContact O-N 3.38Å; E333-E337 PolarHBondContact O-N 3.22Å
334H41.1Very low43.3Very low137 Ų137109.6 Ų109.663%0.63455%0.552SS**Hα-helixtrans-63.1-33.4176.9-165.872.3000112.4A330 Y332 L336 H338A330-H334 WeakPolarHBondContact O-CB 3.35Å; A330-H334 PolarHBondContact O-N 3.49Å; Y332-H334 PolarHBondContact O-N 3.43Å; H334-L336 VanDerWaalsContact C-N 3.35Å; H334-H338 WeakPolarHBondContact O-CB 3.48Å; H334-H338 PolarHBondContact O-N 3.44Å
335S49.3Very low44.4Very low71 Ų71113.2 Ų113.250%0.49756%0.556SS.*Hα-helixtrans-70.9-30.5173.2-60.30000112.3D331 Y332 E333 Y339D331-S335 WeakPolarHBondContact O-CB 3.44Å; D331-S335 PolarHBondContact O-N 3.5Å; D331-S335 PolarHBondContact O-OG 3.23Å; Y332-S335 CarbonylContact O-C 3.53Å; Y332-S335 WeakPolarHBondContact O-CA 3.37Å; Y332-S335 WeakPolarHBondContact O-CB 3.36Å; Y332-S335 PolarHBondContact O-N 2.8Å; Y332-S335 VanDerWaalsContact O-N 3.13Å; E333-S335 VanDerWaalsContact C-N 3.26Å; E333-S335 PolarHBondContact O-N 3.49Å; S335-Y339 VanDerWaalsContact O-CB 3.26Å; S335-Y339 WeakPolarHBondContact O-CB 3.32Å; S335-Y339 PolarHBondContact O-N 3.17Å
336L49.2Very low45.9Very low59 Ų59111.6 Ų111.631%0.30955%0.549SS..Hα-helixtrans-77.8-38.7-179.4-129.9155.6000112.3Y332 E333 H334 Y339 K340Y332-L336 HydrophobicContact CD1-CD1 3.97Å; Y332-L336 HydrophobicContact CE1-CD1 3.45Å; Y332-L336 VanDerWaalsContact CE1-CD1 3.45Å; Y332-L336 WeakPolarHBondContact O-CB 3.37Å; Y332-L336 PolarHBondContact O-N 2.91Å; E333-L336 WeakPolarHBondContact O-CB 3.23Å; E333-L336 PolarHBondContact O-N 3.38Å; H334-L336 VanDerWaalsContact C-N 3.35Å; L336-Y339 PolarHBondContact O-N 3.44Å; L336-K340 HydrophobicContact CD2-CD 4.46Å; L336-K340 WeakPolarHBondContact O-CG 3.19Å; L336-K340 PolarHBondContact O-N 3.21Å
337E53.4Low48Very low123 Ų123111.6 Ų111.658%0.57554%0.537SS*.Hα-helixtrans-62.2-45.8168.6-69.3-174.1153.700111.2E333 Y339 K340 L341E333-E337 PolarHBondContact O-N 3.22Å; E337-Y339 VanDerWaalsContact C-N 3.31Å; E337-Y339 PolarHBondContact O-N 3.02Å; E337-K340 PolarHBondContact O-N 3.46Å; E337-L341 WeakPolarHBondContact O-CB 3.36Å; E337-L341 WeakPolarHBondContact O-CG 3.26Å; E337-L341 PolarHBondContact O-N 2.84Å
338H50.6Low49.8Very low102 Ų102108.9 Ų108.947%0.47253%0.529SS..Hα-helixtrans-60.8-39.4174-179.1-94.9000111.9H334 V342H334-H338 WeakPolarHBondContact O-CB 3.48Å; H334-H338 PolarHBondContact O-N 3.44Å; H338-V342 WeakPolarHBondContact O-CB 3.38Å; H338-V342 WeakPolarHBondContact O-CG2 3.26Å; H338-V342 PolarHBondContact O-N 3.42Å
339Y52.7Low52.2Low123 Ų123108.9 Ų108.948%0.48252%0.522SS..Hα-helixtrans-63.9-47.5176-176.7-97.4000112.4S335 L336 E337 L341 V342 Y343S335-Y339 VanDerWaalsContact O-CB 3.26Å; S335-Y339 WeakPolarHBondContact O-CB 3.32Å; S335-Y339 PolarHBondContact O-N 3.17Å; L336-Y339 PolarHBondContact O-N 3.44Å; E337-Y339 VanDerWaalsContact C-N 3.31Å; E337-Y339 PolarHBondContact O-N 3.02Å; Y339-L341 PolarHBondContact O-N 3.37Å; Y339-V342 PolarHBondContact O-N 2.94Å; Y339-Y343 PolarHBondContact O-N 3.33Å
340K54.9Low54.5Low116 Ų116104.8 Ų104.850%0.50451%0.512SS..Hα-helixtrans-56.7-49175.6-73170.8179.3179.20111.5L336 E337 V342 N344L336-K340 HydrophobicContact CD2-CD 4.46Å; L336-K340 WeakPolarHBondContact O-CG 3.19Å; L336-K340 PolarHBondContact O-N 3.21Å; E337-K340 PolarHBondContact O-N 3.46Å; K340-V342 VanDerWaalsContact C-N 3.3Å; K340-V342 PolarHBondContact O-N 3.29Å; K340-N344 WeakPolarHBondContact O-CB 3.42Å; K340-N344 PolarHBondContact O-N 3.22Å
341L56Low56.9Low43 Ų43102.6 Ų102.623%0.22549%0.493CS..Hα-helixtrans-64.8-28.3179-71.5169.5000114E337 Y339 P348E337-L341 WeakPolarHBondContact O-CB 3.36Å; E337-L341 WeakPolarHBondContact O-CG 3.26Å; E337-L341 PolarHBondContact O-N 2.84Å; Y339-L341 PolarHBondContact O-N 3.37Å; L341-P348 HydrophobicContact CD2-CG 3.93Å
342V50.1Low59.4Low95 Ų95103.3 Ų103.358%0.57650%0.502SS*.Hα-helixtrans-86.7-36.8-179.5169.20000112.2H338 Y339 K340H338-V342 WeakPolarHBondContact O-CB 3.38Å; H338-V342 WeakPolarHBondContact O-CG2 3.26Å; H338-V342 PolarHBondContact O-N 3.42Å; Y339-V342 PolarHBondContact O-N 2.94Å; K340-V342 VanDerWaalsContact C-N 3.3Å; K340-V342 PolarHBondContact O-N 3.29Å
343Y51Low61.5Low171 Ų171101.8 Ų101.867%0.67150%0.5SS*.Hα-helixtrans-89.3-41.9-175-159.4-98000113.7Y339 R345Y339-Y343 PolarHBondContact O-N 3.33Å; Y343-R345 VanDerWaalsContact C-N 3.28Å; Y343-R345 PolarHBondContact O-N 3.01Å
344N56Low63.7Low90 Ų9098.4 Ų98.448%0.48149%0.489SS..SBendtrans-80.5-1.8-173.8-70.28.2000114.6K340 E346K340-N344 WeakPolarHBondContact O-CB 3.42Å; K340-N344 PolarHBondContact O-N 3.22Å; N344-E346 HydrophobicContact CB-CG 3.92Å; N344-E346 VanDerWaalsContact CB-OE1 3.26Å; N344-E346 WeakPolarHBondContact CB-OE1 3.47Å; N344-E346 PolarHBondContact ND2-OE1 3.15Å; N344-E346 PolarHBondContact O-N 3.45Å
345R55.3Low65.8Low222 Ų22297.3 Ų97.384%0.83850%0.504SS*.  trans57.510.4-171.8-58-177.6174-173.60.5115.3Y343 K347Y343-R345 VanDerWaalsContact C-N 3.28Å; Y343-R345 PolarHBondContact O-N 3.01Å; R345-K347 PolarHBondContact O-N 3.36Å
346E59.7Low67.6Low105 Ų10598 Ų9849%0.49150%0.496SS..  trans-60.5126.3177.4-72.4168.8-140.800110.6N344 P348N344-E346 HydrophobicContact CB-CG 3.92Å; N344-E346 VanDerWaalsContact CB-OE1 3.26Å; N344-E346 WeakPolarHBondContact CB-OE1 3.47Å; N344-E346 PolarHBondContact ND2-OE1 3.15Å; N344-E346 PolarHBondContact O-N 3.45Å; E346-P348 VanDerWaalsContact C-CD 3.45Å; E346-P348 WeakPolarHBondContact O-CD 3.39Å
347K73.6Confident69.3Low130 Ų13096.3 Ų96.357%0.56549%0.491SS*.  trans-122.371.4-178.8-73.4167.4169-170.80109.2R345 H349 A357 S358R345-K347 PolarHBondContact O-N 3.36Å; K347-H349 PolarHBondContact O-N 2.81Å; K347-A357 HydrophobicContact CB-CB 3.64Å; K347-A357 HydrophobicContact CD-CB 4.11Å; K347-A357 WeakPolarHBondContact CD-O 3.32Å; K347-A357 HydrophobicContact CG-CB 4.46Å; K347-S358 CarbonylContact C-O 3.55Å
348P72.4Confident70.7Confident82 Ų8290.8 Ų90.853%0.53247%0.466SS..  trans-61.9-14.9-172.924.7-36000114.4L341 E346L341-P348 HydrophobicContact CD2-CG 3.93Å; E346-P348 VanDerWaalsContact C-CD 3.45Å; E346-P348 WeakPolarHBondContact O-CD 3.39Å
349H81.1Confident71.8Confident60 Ų6087.3 Ų87.328%0.27845%0.453SS..EExtended strand (participates in β ladder)trans-10887.1-179.4-53-53.5000111.1K347 A357 S358 H360 L361 L364K347-H349 PolarHBondContact O-N 2.81Å; H349-A357 CarbonylContact O-C 3.6Å; H349-A357 WeakPolarHBondContact O-CA 3.49Å; H349-S358 WeakPolarHBondContact CB-O 3.45Å; H349-S358 PolarHBondContact N-O 3.18Å; H349-S358 VanDerWaalsContact N-O 3.12Å; H349-S358 PolarHBondContact O-N 3.47Å; H349-H360 VanDerWaalsContact CD2-C 3.5Å; H349-L361 PolarHBondContact CD2-N 2.98Å; H349-L364 HydrophobicContact CB-CB 4.11Å; H349-L364 HydrophobicContact CB-CD2 3.81Å
350G84.2Confident72.9Confident44 Ų4485.2 Ų85.245%0.45445%0.448SS..EExtended strand (participates in β ladder)trans-79.8153.9172.300000113.7L364G350-L364 VanDerWaalsContact O-CD2 3.23Å; G350-L364 WeakPolarHBondContact O-CD2 3.46Å
351C88.3Confident73.9Confident15 Ų1583.2 Ų83.210%0.10144%0.442CS..  trans-89.4134172-175.40000110.4H353 C354 Y356 L364 H367 H371C351-H353 PolarHBondContact O-N 3.23Å; C351-H353 PolarHBondContact SG-N 2.84Å; C351-C354 WeakPolarHBondContact CB-O 3.45Å; C351-Y356 VanDerWaalsContact CB-O 3.25Å; C351-Y356 WeakPolarHBondContact CB-O 3.44Å; C351-Y356 PolarHBondContact N-O 3.32Å; C351-L364 HydrophobicContact CB-CD1 3.85Å; C351-H367 PolarHBondContact SG-CD2 3.4Å; C351-H367 PolarHBondContact SG-NE2 3.04Å; C351-H371 PolarHBondContact SG-NE2 3.06Å
352P84.1Confident75Confident107 Ų10786.3 Ų86.370%0.69546%0.459SS*.SBendtrans-72.9-15.6176.329.9-34.7000113.4L368P352-L368 HydrophobicContact CG-CD2 4.46Å
353H84.3Confident76.5Confident122 Ų12283.8 Ų83.857%0.56544%0.442SS*.SBendtrans-105.7-8.6-174.8-55.3-61.6000114.3C351 H371C351-H353 PolarHBondContact O-N 3.23Å; C351-H353 PolarHBondContact SG-N 2.84Å; H353-H371 PolarHBondContact O-CE1 3.46Å; H353-H371 VanDerWaalsContact O-CE1 3.25Å
354C89.5Confident78Confident49 Ų4976.5 Ų76.533%0.33142%0.415SS..SBendtrans-164.5171172.171.10000112.2C351 Y356 H367 H371C351-C354 WeakPolarHBondContact CB-O 3.45Å; C354-Y356 PolarHBondContact O-N 3.11Å; C354-H367 PolarHBondContact SG-CE1 3.09Å; C354-H367 PolarHBondContact SG-NE2 3.37Å; C354-H371 WeakPolarHBondContact CB-CE1 3.29Å; C354-H371 PolarHBondContact SG-CE1 2.82Å; C354-H371 PolarHBondContact SG-NE2 3.35Å
355A86.5Confident79.3Confident114 Ų11478.7 Ų78.794%0.94242%0.417SS*.SBendtrans-65.913.6178.900000116
356Y87.1Confident80.6Confident85 Ų8572.7 Ų72.733%0.33339%0.394SS..  trans-74.7126.5173.9-178-93.6000110.7C351 C354 H367C351-Y356 VanDerWaalsContact CB-O 3.25Å; C351-Y356 WeakPolarHBondContact CB-O 3.44Å; C351-Y356 PolarHBondContact N-O 3.32Å; C354-Y356 PolarHBondContact O-N 3.11Å; Y356-H367 WeakPolarHBondContact CB-NE2 3.48Å; Y356-H367 HydrophobicContact CD1-CB 3.71Å; Y356-H367 AromaticContact CD1-CD2 3.43Å; Y356-H367 VanDerWaalsContact CD1-CD2 3.43Å; Y356-H367 WeakPolarHBondContact CD1-CD2 3.42Å; Y356-H367 AromaticContact CD1-CG 3.27Å; Y356-H367 AromaticContact CD1-ND1 3.72Å; Y356-H367 AromaticContact CD1-NE2 3.95Å; Y356-H367 HydrophobicContact CE1-CB 3.53Å; Y356-H367 AromaticContact CE1-CG 3.66Å; Y356-H367 HydrophobicContact CG-CB 4.44Å; Y356-H367 AromaticContact CG-CD2 3.85Å; Y356-H367 AromaticContact CG-CE1 3.72Å; Y356-H367 AromaticContact CG-CG 3.67Å; Y356-H367 AromaticContact CG-ND1 3.59Å; Y356-H367 AromaticContact CG-NE2 3.88Å
357A84.6Confident81.8Confident25 Ų2569.1 Ų69.121%0.20738%0.377CS..EExtended strand (participates in β ladder)trans-134.9151.5170.800000111K347 H349K347-A357 HydrophobicContact CB-CB 3.64Å; K347-A357 HydrophobicContact CD-CB 4.11Å; K347-A357 WeakPolarHBondContact CD-O 3.32Å; K347-A357 HydrophobicContact CG-CB 4.46Å; H349-A357 CarbonylContact O-C 3.6Å; H349-A357 WeakPolarHBondContact O-CA 3.49Å
358S82.2Confident82.4Confident6 Ų665.3 Ų65.34%0.04236%0.363CS..EExtended strand (participates in β ladder)trans-141.1158.2-174.869.10000113.3K347 H349 H360 L364K347-S358 CarbonylContact C-O 3.55Å; H349-S358 WeakPolarHBondContact CB-O 3.45Å; H349-S358 PolarHBondContact N-O 3.18Å; H349-S358 VanDerWaalsContact N-O 3.12Å; H349-S358 PolarHBondContact O-N 3.47Å; S358-H360 VanDerWaalsContact C-N 3.35Å; S358-H360 PolarHBondContact OG-O 2.95Å; S358-L364 PolarHBondContact OG-N 3.17Å
359S74.3Confident83Confident30 Ų3064.4 Ų64.421%0.2135%0.349CS..SBendtrans-79.4-11.417653.60000114.4
360H75.6Confident83.2Confident78 Ų7866.8 Ų66.836%0.36137%0.367SS..SBendtrans-136.5130.3-176.8-59-62.4000111.4H349 S358 D362 N363 L364H349-H360 VanDerWaalsContact CD2-C 3.5Å; S358-H360 VanDerWaalsContact C-N 3.35Å; S358-H360 PolarHBondContact OG-O 2.95Å; H360-D362 PolarHBondContact O-N 3.07Å; H360-D362 VanDerWaalsContact O-N 3.12Å; H360-N363 WeakPolarHBondContact O-CB 3.35Å; H360-N363 PolarHBondContact O-N 2.83Å; H360-L364 PolarHBondContact O-N 3.32Å
361L75.7Confident83.2Confident74 Ų7468.9 Ų68.939%0.38737%0.365SS..Hα-helixtrans-53.9-34.5-178.8-173.463.4000113.6H349 N363 L364 R365H349-L361 PolarHBondContact CD2-N 2.98Å; L361-N363 VanDerWaalsContact C-N 3.33Å; L361-N363 PolarHBondContact O-N 3.33Å; L361-L364 HydrophobicContact CD1-CD2 4.48Å; L361-L364 PolarHBondContact O-N 3.49Å; L361-R365 WeakPolarHBondContact O-CG 3.38Å; L361-R365 PolarHBondContact O-N 2.74Å
362D78.6Confident82.9Confident108 Ų10872.1 Ų72.158%0.57838%0.384SS*.Hα-helixtrans-70.8-26.7177.9-68.3-27.1000113.6H360 R365 R366H360-D362 PolarHBondContact O-N 3.07Å; H360-D362 VanDerWaalsContact O-N 3.12Å; D362-R365 IonicContact OD1-NH1 3.14Å; D362-R365 PolarHBondContact OD1-NH1 3.5Å; D362-R365 VanDerWaalsContact OD1-NH1 3.14Å; D362-R366 WeakPolarHBondContact O-CB 3.37Å; D362-R366 PolarHBondContact O-N 3.34Å
363N82.4Confident82.8Confident43 Ų4369.2 Ų69.223%0.2337%0.373CS..Hα-helixtrans-70.6-42.3170.9-72.2-36.5000110.3H360 L361 R366 H367H360-N363 WeakPolarHBondContact O-CB 3.35Å; H360-N363 PolarHBondContact O-N 2.83Å; L361-N363 VanDerWaalsContact C-N 3.33Å; L361-N363 PolarHBondContact O-N 3.33Å; N363-R366 PolarHBondContact O-N 3.41Å; N363-R366 PolarHBondContact OD1-NH2 2.96Å; N363-H367 WeakPolarHBondContact O-CB 3.36Å; N363-H367 PolarHBondContact O-N 2.84Å
364L83.1Confident82.7Confident18 Ų1868.5 Ų68.59%0.09437%0.371CS..Hα-helixtrans-61.1-51.4172.7177.761.3000111.5H349 G350 C351 S358 H360 L361 R366 H367 L368H349-L364 HydrophobicContact CB-CB 4.11Å; H349-L364 HydrophobicContact CB-CD2 3.81Å; G350-L364 VanDerWaalsContact O-CD2 3.23Å; G350-L364 WeakPolarHBondContact O-CD2 3.46Å; C351-L364 HydrophobicContact CB-CD1 3.85Å; S358-L364 PolarHBondContact OG-N 3.17Å; H360-L364 PolarHBondContact O-N 3.32Å; L361-L364 HydrophobicContact CD1-CD2 4.48Å; L361-L364 PolarHBondContact O-N 3.49Å; L364-R366 VanDerWaalsContact C-N 3.26Å; L364-R366 PolarHBondContact O-N 3.15Å; L364-H367 CarbonylContact O-C 3.41Å; L364-H367 WeakPolarHBondContact O-CA 3.44Å; L364-H367 WeakPolarHBondContact O-CB 3.48Å; L364-H367 PolarHBondContact O-N 3.32Å; L364-L368 HydrophobicContact CD1-CD2 4.42Å; L364-L368 HydrophobicContact CD1-CG 4.3Å; L364-L368 HydrophobicContact CG-CD1 4.42Å; L364-L368 HydrophobicContact CG-CG 4.41Å; L364-L368 WeakPolarHBondContact O-CG 3.45Å; L364-L368 PolarHBondContact O-N 3.43Å
365R82.4Confident82.6Confident136 Ų13672.3 Ų72.351%0.51338%0.382SS..Hα-helixtrans-55.1-39.4176.5-74.6171171.4162-5.2113L361 D362L361-R365 WeakPolarHBondContact O-CG 3.38Å; L361-R365 PolarHBondContact O-N 2.74Å; D362-R365 IonicContact OD1-NH1 3.14Å; D362-R365 PolarHBondContact OD1-NH1 3.5Å; D362-R365 VanDerWaalsContact OD1-NH1 3.14Å
366R83.1Confident82.4Confident96 Ų9670.6 Ų70.636%0.36236%0.361SS..Hα-helixtrans-69.2-34.6174.2-178.2179.865.9-139.7-8.7112.3D362 N363 L364D362-R366 WeakPolarHBondContact O-CB 3.37Å; D362-R366 PolarHBondContact O-N 3.34Å; N363-R366 PolarHBondContact O-N 3.41Å; N363-R366 PolarHBondContact OD1-NH2 2.96Å; L364-R366 VanDerWaalsContact C-N 3.26Å; L364-R366 PolarHBondContact O-N 3.15Å
367H85.5Confident82.3Confident29 Ų2969.5 Ų69.513%0.13436%0.358CS..Hα-helixtrans-70.8-38.7176.3167.477000112.2C351 C354 Y356 N363 L364 R369 V370 H371C351-H367 PolarHBondContact SG-CD2 3.4Å; C351-H367 PolarHBondContact SG-NE2 3.04Å; C354-H367 PolarHBondContact SG-CE1 3.09Å; C354-H367 PolarHBondContact SG-NE2 3.37Å; Y356-H367 WeakPolarHBondContact CB-NE2 3.48Å; Y356-H367 HydrophobicContact CD1-CB 3.71Å; Y356-H367 AromaticContact CD1-CD2 3.43Å; Y356-H367 VanDerWaalsContact CD1-CD2 3.43Å; Y356-H367 WeakPolarHBondContact CD1-CD2 3.42Å; Y356-H367 AromaticContact CD1-CG 3.27Å; Y356-H367 AromaticContact CD1-ND1 3.72Å; Y356-H367 AromaticContact CD1-NE2 3.95Å; Y356-H367 HydrophobicContact CE1-CB 3.53Å; Y356-H367 AromaticContact CE1-CG 3.66Å; Y356-H367 HydrophobicContact CG-CB 4.44Å; Y356-H367 AromaticContact CG-CD2 3.85Å; Y356-H367 AromaticContact CG-CE1 3.72Å; Y356-H367 AromaticContact CG-CG 3.67Å; Y356-H367 AromaticContact CG-ND1 3.59Å; Y356-H367 AromaticContact CG-NE2 3.88Å; N363-H367 WeakPolarHBondContact O-CB 3.36Å; N363-H367 PolarHBondContact O-N 2.84Å; L364-H367 CarbonylContact O-C 3.41Å; L364-H367 WeakPolarHBondContact O-CA 3.44Å; L364-H367 WeakPolarHBondContact O-CB 3.48Å; L364-H367 PolarHBondContact O-N 3.32Å; H367-R369 PolarHBondContact O-N 3.26Å; H367-R369 VanDerWaalsContact O-N 3.13Å; H367-V370 VanDerWaalsContact O-CB 3.25Å; H367-V370 WeakPolarHBondContact O-CB 3.45Å; H367-V370 WeakPolarHBondContact O-CG2 3.45Å; H367-V370 PolarHBondContact O-N 2.88Å; H367-H371 AromaticContact CD2-NE2 3.49Å; H367-H371 PolarHBondContact CD2-NE2 3.13Å; H367-H371 AromaticContact CE1-NE2 2.99Å; H367-H371 PolarHBondContact CE1-NE2 3.43Å; H367-H371 AromaticContact NE2-CD2 3.67Å; H367-H371 AromaticContact NE2-NE2 2.35Å; H367-H371 PolarHBondContact NE2-NE2 3.29Å
368L84.9Confident82.4Confident51 Ų5177.9 Ų77.927%0.26738%0.384SS..Hα-helixtrans-55.6-31.5176.6-69.1174000112.7P352 L364 V370 H371 T372P352-L368 HydrophobicContact CG-CD2 4.46Å; L364-L368 HydrophobicContact CD1-CD2 4.42Å; L364-L368 HydrophobicContact CD1-CG 4.3Å; L364-L368 HydrophobicContact CG-CD1 4.42Å; L364-L368 HydrophobicContact CG-CG 4.41Å; L364-L368 WeakPolarHBondContact O-CG 3.45Å; L364-L368 PolarHBondContact O-N 3.43Å; L368-V370 PolarHBondContact O-N 3.39Å; L368-V370 VanDerWaalsContact O-N 3.12Å; L368-H371 PolarHBondContact O-N 2.91Å; L368-T372 PolarHBondContact O-N 3.4Å; L368-T372 VanDerWaalsContact O-N 3.08Å
369R85.8Confident82.7Confident63 Ų6378.1 Ų78.124%0.23839%0.386CS..Hα-helixtrans-64.1-10.4173.3-65.8-165.3-73.7-95.64.8115.3H367 T372 G373 E374 G387H367-R369 PolarHBondContact O-N 3.26Å; H367-R369 VanDerWaalsContact O-N 3.13Å; R369-T372 WeakPolarHBondContact CA-OG1 3.22Å; R369-G373 PolarHBondContact O-N 3.2Å; R369-E374 HydrophobicContact CB-CB 4.27Å; R369-E374 HydrophobicContact CG-CB 3.99Å; R369-E374 PolarHBondContact O-N 3.03Å; R369-G387 PolarHBondContact NE-O 3.2Å; R369-G387 PolarHBondContact NH2-O 3.45Å
370V84.5Confident83.2Confident110 Ų11083 Ų8367%0.66741%0.414SS*.Hα-helixtrans-74.6-37.6168.8-178.80000110.3H367 L368H367-V370 VanDerWaalsContact O-CB 3.25Å; H367-V370 WeakPolarHBondContact O-CB 3.45Å; H367-V370 WeakPolarHBondContact O-CG2 3.45Å; H367-V370 PolarHBondContact O-N 2.88Å; L368-V370 PolarHBondContact O-N 3.39Å; L368-V370 VanDerWaalsContact O-N 3.12Å
371H84.9Confident83.6Confident87 Ų8783.2 Ų83.240%0.40342%0.424SS..Hα-helixtrans-79.4-41.1178.6-61.4-71.5000112.1C351 H353 C354 H367 L368 G373C351-H371 PolarHBondContact SG-NE2 3.06Å; H353-H371 PolarHBondContact O-CE1 3.46Å; H353-H371 VanDerWaalsContact O-CE1 3.25Å; C354-H371 WeakPolarHBondContact CB-CE1 3.29Å; C354-H371 PolarHBondContact SG-CE1 2.82Å; C354-H371 PolarHBondContact SG-NE2 3.35Å; H367-H371 AromaticContact CD2-NE2 3.49Å; H367-H371 PolarHBondContact CD2-NE2 3.13Å; H367-H371 AromaticContact CE1-NE2 2.99Å; H367-H371 PolarHBondContact CE1-NE2 3.43Å; H367-H371 AromaticContact NE2-CD2 3.67Å; H367-H371 AromaticContact NE2-NE2 2.35Å; H367-H371 PolarHBondContact NE2-NE2 3.29Å; L368-H371 PolarHBondContact O-N 2.91Å; H371-G373 VanDerWaalsContact C-N 3.28Å; H371-G373 PolarHBondContact O-N 3.15Å
372T82.2Confident84.3Confident84 Ų8482 Ų8252%0.51542%0.422SS..SBendtrans-80.6-4.5178.765.50000114.2L368 R369 E374L368-T372 PolarHBondContact O-N 3.4Å; L368-T372 VanDerWaalsContact O-N 3.08Å; R369-T372 WeakPolarHBondContact CA-OG1 3.22Å; T372-E374 PolarHBondContact O-N 3.22Å; T372-E374 WeakPolarHBondContact OG1-CG 3.26Å
373G82.2Confident84.7Confident45 Ų4583 Ų8346%0.46444%0.438SS..  trans66-0.4-176.400000115.5R369 H371 K375R369-G373 PolarHBondContact O-N 3.2Å; H371-G373 VanDerWaalsContact C-N 3.28Å; H371-G373 PolarHBondContact O-N 3.15Å; G373-K375 WeakPolarHBondContact O-CG 3.45Å; G373-K375 PolarHBondContact O-N 3.47Å
374E82.1Confident85Confident108 Ų10885.5 Ų85.551%0.50544%0.444SS..  trans-59.4122.8-175-78.6-177.5-178.400112.9R369 T372 P376R369-E374 HydrophobicContact CB-CB 4.27Å; R369-E374 HydrophobicContact CG-CB 3.99Å; R369-E374 PolarHBondContact O-N 3.03Å; T372-E374 PolarHBondContact O-N 3.22Å; T372-E374 WeakPolarHBondContact OG1-CG 3.26Å; E374-P376 WeakPolarHBondContact O-CD 3.36Å
375K86.3Confident85.2Confident129 Ų12985.9 Ų85.956%0.56145%0.45SS*.  trans-121.973.7176.9-67.1161.9-173.1169.70110.7G373 F377 A385 C386G373-K375 WeakPolarHBondContact O-CG 3.45Å; G373-K375 PolarHBondContact O-N 3.47Å; K375-F377 PolarHBondContact O-N 2.98Å; K375-A385 HydrophobicContact CB-CB 3.7Å; K375-A385 HydrophobicContact CD-CB 4.22Å; K375-A385 HydrophobicContact CG-CB 4.45Å; K375-C386 CarbonylContact C-O 3.45Å
376P82.2Confident85.4Confident77 Ų7779.7 Ų79.750%0.543%0.427SS..  trans-65.1-21.6-175.9-21.534.2000114E374E374-P376 WeakPolarHBondContact O-CD 3.36Å
377F86Confident85.3Confident63 Ų6376.1 Ų76.128%0.27642%0.42SS..EExtended strand (participates in β ladder)trans-102.693.4-175-54.5-77.8000110.2K375 A385 C386 L389 L392K375-F377 PolarHBondContact O-N 2.98Å; F377-A385 WeakPolarHBondContact O-CA 3.48Å; F377-C386 WeakPolarHBondContact CB-O 3.33Å; F377-C386 WeakPolarHBondContact CD2-O 3.37Å; F377-C386 PolarHBondContact N-O 3.01Å; F377-C386 VanDerWaalsContact N-O 3.15Å; F377-C386 PolarHBondContact O-N 3.33Å; F377-L389 HydrophobicContact CD1-CB 3.97Å; F377-L389 HydrophobicContact CD1-CD1 3.92Å; F377-L389 HydrophobicContact CE1-CB 3.79Å; F377-L389 HydrophobicContact CE1-CD1 4.19Å; F377-L389 HydrophobicContact CE1-CG 4.44Å; F377-L389 HydrophobicContact CE2-CB 4.48Å; F377-L389 HydrophobicContact CG-CB 4.39Å; F377-L389 HydrophobicContact CZ-CB 4.06Å; F377-L392 HydrophobicContact CB-CB 4.12Å; F377-L392 HydrophobicContact CB-CD2 3.88Å
378R86.7Confident85.2Confident200 Ų20076.4 Ų76.476%0.75542%0.423SS*.EExtended strand (participates in β ladder)trans-88.6147.3175.1-60-171.8177.5-172.1-1.2111.5A385 L392R378-A385 HydrophobicContact CB-CB 4.5Å; R378-A385 HydrophobicContact CG-CB 3.88Å; R378-L392 WeakPolarHBondContact O-CD2 3.26Å
379C88.6Confident85.1Confident12 Ų1277.3 Ų77.38%0.08143%0.428CS..  trans-78.8145.3167.4-166.50000110C382 Y384 L392C379-C382 VanDerWaalsContact O-O 3.1Å; C379-Y384 WeakPolarHBondContact CB-O 3.48Å; C379-Y384 PolarHBondContact N-O 3.27Å; C379-L392 HydrophobicContact CB-CD1 3.91Å
380T85.7Confident84.9Confident132 Ų13277.1 Ų77.181%0.8144%0.439SS*.SBendtrans-85.8-21.2174.348.80000112.6
381S82.9Confident85Confident82 Ų8274.2 Ų74.257%0.57342%0.42SS*.SBendtrans-98.5-5.2-175.6-500000114
382C90.3Very high85Confident50 Ų5070.8 Ų70.834%0.33841%0.405SS..SBendtrans-166.2171.5176.366.20000110.5C379 Y384 H395 H399C379-C382 VanDerWaalsContact O-O 3.1Å; C382-Y384 PolarHBondContact O-N 2.89Å; C382-Y384 VanDerWaalsContact SG-CB 3.57Å; C382-H395 PolarHBondContact SG-NE2 2.68Å; C382-H399 PolarHBondContact SG-NE2 2.94Å; C382-H399 VanDerWaalsContact SG-NE2 3.41Å
383S87.9Confident85.2Confident129 Ų12974.2 Ų74.290%0.90241%0.408SS*.SBendtrans-67-1.3179.154.10000115.8A385S383-A385 PolarHBondContact O-N 3.13Å
384Y88.7Confident85.3Confident95 Ų9576.3 Ų76.337%0.37340%0.402SS..  trans-65127-177.2-177.8-98.1000112.9C379 C382 C386 H395C379-Y384 WeakPolarHBondContact CB-O 3.48Å; C379-Y384 PolarHBondContact N-O 3.27Å; C382-Y384 PolarHBondContact O-N 2.89Å; C382-Y384 VanDerWaalsContact SG-CB 3.57Å; Y384-C386 HydrophobicContact CE1-CB 3.97Å; Y384-H395 VanDerWaalsContact CB-CE1 3.47Å; Y384-H395 WeakPolarHBondContact CB-CE1 3.42Å; Y384-H395 HydrophobicContact CD1-CB 3.94Å; Y384-H395 AromaticContact CD1-CD2 3.67Å; Y384-H395 AromaticContact CD1-CE1 3.76Å; Y384-H395 AromaticContact CD1-CG 3.39Å; Y384-H395 AromaticContact CD1-ND1 3.45Å; Y384-H395 WeakPolarHBondContact CD1-ND1 3.4Å; Y384-H395 AromaticContact CD1-NE2 3.91Å; Y384-H395 HydrophobicContact CE1-CB 3.75Å; Y384-H395 AromaticContact CE1-CG 3.71Å; Y384-H395 AromaticContact CE1-ND1 3.87Å; Y384-H395 AromaticContact CG-CE1 3.53Å; Y384-H395 AromaticContact CG-CG 3.97Å; Y384-H395 AromaticContact CG-ND1 3.54Å; Y384-H395 AromaticContact CG-NE2 3.95Å
385A87.1Confident85.6Confident25 Ų2572.3 Ų72.321%0.20738%0.383CS..EExtended strand (participates in β ladder)trans-132145.9177.100000111.8K375 F377 R378 S383K375-A385 HydrophobicContact CB-CB 3.7Å; K375-A385 HydrophobicContact CD-CB 4.22Å; K375-A385 HydrophobicContact CG-CB 4.45Å; F377-A385 WeakPolarHBondContact O-CA 3.48Å; R378-A385 HydrophobicContact CB-CB 4.5Å; R378-A385 HydrophobicContact CG-CB 3.88Å; S383-A385 PolarHBondContact O-N 3.13Å
386C86.1Confident85.6Confident7 Ų770 Ų705%0.04738%0.375CS..EExtended strand (participates in β ladder)trans-147.7160.7-179.964.40000114.3K375 F377 Y384 N388 N391 L392K375-C386 CarbonylContact C-O 3.45Å; F377-C386 WeakPolarHBondContact CB-O 3.33Å; F377-C386 WeakPolarHBondContact CD2-O 3.37Å; F377-C386 PolarHBondContact N-O 3.01Å; F377-C386 VanDerWaalsContact N-O 3.15Å; F377-C386 PolarHBondContact O-N 3.33Å; Y384-C386 HydrophobicContact CE1-CB 3.97Å; C386-N388 VanDerWaalsContact C-N 3.29Å; C386-N388 PolarHBondContact O-N 2.86Å; C386-N388 PolarHBondContact SG-O 2.94Å; C386-N388 VanDerWaalsContact SG-O 3.37Å; C386-N391 HydrophobicContact CB-CB 4.27Å; C386-L392 PolarHBondContact SG-N 3.15Å
387G81.2Confident85.8Confident20 Ų2070 Ų7021%0.20637%0.365CS..SBendtrans-80.810.1179.100000116R369R369-G387 PolarHBondContact NE-O 3.2Å; R369-G387 PolarHBondContact NH2-O 3.45Å
388N83.3Confident85.8Confident35 Ų3572.1 Ų72.119%0.18738%0.378CS..  trans-149.9122.7-176.1-176.7-0.6000112.9C386 A390 N391 L392C386-N388 VanDerWaalsContact C-N 3.29Å; C386-N388 PolarHBondContact O-N 2.86Å; C386-N388 PolarHBondContact SG-O 2.94Å; C386-N388 VanDerWaalsContact SG-O 3.37Å; N388-A390 PolarHBondContact O-N 2.83Å; N388-A390 VanDerWaalsContact O-N 3.15Å; N388-A390 PolarHBondContact OD1-N 3.32Å; N388-N391 HydrophobicContact CB-CB 4.31Å; N388-N391 WeakPolarHBondContact O-CA 3.3Å; N388-N391 WeakPolarHBondContact O-CB 3.48Å; N388-N391 PolarHBondContact O-N 2.95Å; N388-L392 PolarHBondContact O-N 3.24Å
389L82.3Confident85.7Confident71 Ų7166.8 Ų66.837%0.37236%0.361SS..Hα-helixtrans-53.4-34.5175.8-176.362.3000113.9F377 N391 L392 R393F377-L389 HydrophobicContact CD1-CB 3.97Å; F377-L389 HydrophobicContact CD1-CD1 3.92Å; F377-L389 HydrophobicContact CE1-CB 3.79Å; F377-L389 HydrophobicContact CE1-CD1 4.19Å; F377-L389 HydrophobicContact CE1-CG 4.44Å; F377-L389 HydrophobicContact CE2-CB 4.48Å; F377-L389 HydrophobicContact CG-CB 4.39Å; F377-L389 HydrophobicContact CZ-CB 4.06Å; L389-N391 VanDerWaalsContact C-N 3.29Å; L389-N391 PolarHBondContact O-N 3.3Å; L389-L392 PolarHBondContact O-N 3.37Å; L389-R393 WeakPolarHBondContact O-CG 3.17Å; L389-R393 PolarHBondContact O-N 3.29Å
390A82.4Confident85.5Confident59 Ų5970.3 Ų70.349%0.48839%0.386SS..Hα-helixtrans-67.3-30176.600000112.6N388 R394N388-A390 PolarHBondContact O-N 2.83Å; N388-A390 VanDerWaalsContact O-N 3.15Å; N388-A390 PolarHBondContact OD1-N 3.32Å; A390-R394 WeakPolarHBondContact O-CB 3.38Å; A390-R394 PolarHBondContact O-N 2.93Å
391N85Confident85.4Confident49 Ų4966.2 Ų66.226%0.26237%0.37SS..Hα-helixtrans-72.7-42.8172.8-72.2-14.3000110.8C386 N388 L389 R394 H395C386-N391 HydrophobicContact CB-CB 4.27Å; N388-N391 HydrophobicContact CB-CB 4.31Å; N388-N391 WeakPolarHBondContact O-CA 3.3Å; N388-N391 WeakPolarHBondContact O-CB 3.48Å; N388-N391 PolarHBondContact O-N 2.95Å; L389-N391 VanDerWaalsContact C-N 3.29Å; L389-N391 PolarHBondContact O-N 3.3Å; N391-R394 WeakPolarHBondContact O-CB 3.33Å; N391-R394 PolarHBondContact O-N 2.93Å; N391-R394 VanDerWaalsContact O-N 3.16Å; N391-R394 PolarHBondContact OD1-NH2 2.93Å; N391-H395 WeakPolarHBondContact O-CB 3.46Å; N391-H395 PolarHBondContact O-N 3.07Å
392L86.8Confident85.5Confident15 Ų1564.2 Ų64.28%0.07936%0.358CS..Hα-helixtrans-59.5-49.4175.6-179.461.3000111.7F377 R378 C379 C386 N388 L389 R394 H395 Q396F377-L392 HydrophobicContact CB-CB 4.12Å; F377-L392 HydrophobicContact CB-CD2 3.88Å; R378-L392 WeakPolarHBondContact O-CD2 3.26Å; C379-L392 HydrophobicContact CB-CD1 3.91Å; C386-L392 PolarHBondContact SG-N 3.15Å; N388-L392 PolarHBondContact O-N 3.24Å; L389-L392 PolarHBondContact O-N 3.37Å; L392-R394 PolarHBondContact O-N 3.18Å; L392-H395 WeakPolarHBondContact O-CB 3.41Å; L392-H395 PolarHBondContact O-N 3.18Å; L392-H395 VanDerWaalsContact O-N 3.1Å; L392-Q396 HydrophobicContact CD1-CG 4.48Å; L392-Q396 WeakPolarHBondContact O-CG 3.47Å; L392-Q396 PolarHBondContact O-N 2.91Å
393R85Confident85.3Confident156 Ų15667.3 Ų67.359%0.58937%0.366SS*.Hα-helixtrans-60.3-29175.8-73.6-178.7176.9-179.3-0.5113.7L389L389-R393 WeakPolarHBondContact O-CG 3.17Å; L389-R393 PolarHBondContact O-N 3.29Å
394R84.5Confident85Confident88 Ų8864.8 Ų64.833%0.33235%0.346SS..Hα-helixtrans-75.8-43173.9168.4171.355.2161.2-0.7111.1A390 N391 L392 R397 Q416A390-R394 WeakPolarHBondContact O-CB 3.38Å; A390-R394 PolarHBondContact O-N 2.93Å; N391-R394 WeakPolarHBondContact O-CB 3.33Å; N391-R394 PolarHBondContact O-N 2.93Å; N391-R394 VanDerWaalsContact O-N 3.16Å; N391-R394 PolarHBondContact OD1-NH2 2.93Å; L392-R394 PolarHBondContact O-N 3.18Å; R394-R397 WeakPolarHBondContact O-CB 3.44Å; R394-R397 PolarHBondContact O-N 2.95Å; R394-Q416 VanDerWaalsContact CD-CD 3.43Å; R394-Q416 HydrophobicContact CG-CG 4.36Å
395H88.3Confident85Confident25 Ų2563.3 Ų63.312%0.11634%0.342CS..Hα-helixtrans-62.4-41.4176.4168.889.9000111.7C382 Y384 N391 L392 R397 I398 H399C382-H395 PolarHBondContact SG-NE2 2.68Å; Y384-H395 VanDerWaalsContact CB-CE1 3.47Å; Y384-H395 WeakPolarHBondContact CB-CE1 3.42Å; Y384-H395 HydrophobicContact CD1-CB 3.94Å; Y384-H395 AromaticContact CD1-CD2 3.67Å; Y384-H395 AromaticContact CD1-CE1 3.76Å; Y384-H395 AromaticContact CD1-CG 3.39Å; Y384-H395 AromaticContact CD1-ND1 3.45Å; Y384-H395 WeakPolarHBondContact CD1-ND1 3.4Å; Y384-H395 AromaticContact CD1-NE2 3.91Å; Y384-H395 HydrophobicContact CE1-CB 3.75Å; Y384-H395 AromaticContact CE1-CG 3.71Å; Y384-H395 AromaticContact CE1-ND1 3.87Å; Y384-H395 AromaticContact CG-CE1 3.53Å; Y384-H395 AromaticContact CG-CG 3.97Å; Y384-H395 AromaticContact CG-ND1 3.54Å; Y384-H395 AromaticContact CG-NE2 3.95Å; N391-H395 WeakPolarHBondContact O-CB 3.46Å; N391-H395 PolarHBondContact O-N 3.07Å; L392-H395 WeakPolarHBondContact O-CB 3.41Å; L392-H395 PolarHBondContact O-N 3.18Å; L392-H395 VanDerWaalsContact O-N 3.1Å; H395-R397 PolarHBondContact O-N 2.65Å; H395-I398 VanDerWaalsContact O-CB 3.26Å; H395-I398 WeakPolarHBondContact O-CB 3.4Å; H395-I398 VanDerWaalsContact O-CG1 3.31Å; H395-I398 WeakPolarHBondContact O-CG1 3.4Å; H395-I398 PolarHBondContact O-N 3.02Å; H395-H399 AromaticContact CD2-NE2 3.81Å; H395-H399 AromaticContact CE1-NE2 3.8Å; H395-H399 AromaticContact NE2-CD2 3.76Å; H395-H399 AromaticContact NE2-CE1 3.98Å; H395-H399 AromaticContact NE2-NE2 3Å; H395-H399 PolarHBondContact NE2-NE2 3.42Å
396Q85.9Confident85.1Confident81 Ų8169.9 Ų69.938%0.37936%0.362SS..Hα-helixtrans-56.4-21.1176-75.3172.8-41.800114.3L392 I398 H399 S400L392-Q396 HydrophobicContact CD1-CG 4.48Å; L392-Q396 WeakPolarHBondContact O-CG 3.47Å; L392-Q396 PolarHBondContact O-N 2.91Å; Q396-I398 PolarHBondContact O-N 3.43Å; Q396-H399 PolarHBondContact O-N 2.59Å; Q396-S400 PolarHBondContact O-N 3.28Å; Q396-S400 PolarHBondContact O-OG 3.1Å
397R86.7Confident85.2Confident77 Ų7769.6 Ų69.629%0.29136%0.36SS..Hα-helixtrans-71.8-12.7173.7-55.6-179.7-164.2150.86.2114R394 H395 G401 A402 N415R394-R397 WeakPolarHBondContact O-CB 3.44Å; R394-R397 PolarHBondContact O-N 2.95Å; H395-R397 PolarHBondContact O-N 2.65Å; R397-G401 CarbonylContact O-C 3.58Å; R397-G401 WeakPolarHBondContact O-CA 3.5Å; R397-G401 PolarHBondContact O-N 3.06Å; R397-A402 HydrophobicContact CB-CB 4.19Å; R397-A402 HydrophobicContact CG-CB 4.29Å; R397-A402 PolarHBondContact O-N 3.42Å; R397-A402 VanDerWaalsContact O-N 3.11Å; R397-N415 HydrophobicContact CB-CB 4.49Å; R397-N415 PolarHBondContact NH1-O 3.16Å
398I85.9Confident85.3Confident106 Ų10673.1 Ų73.154%0.54439%0.387SS..Hα-helixtrans-71.9-54172.6-59.2170.2000107.6H395 Q396 S400 G401H395-I398 VanDerWaalsContact O-CB 3.26Å; H395-I398 WeakPolarHBondContact O-CB 3.4Å; H395-I398 VanDerWaalsContact O-CG1 3.31Å; H395-I398 WeakPolarHBondContact O-CG1 3.4Å; H395-I398 PolarHBondContact O-N 3.02Å; Q396-I398 PolarHBondContact O-N 3.43Å; I398-S400 PolarHBondContact O-N 3.11Å; I398-G401 PolarHBondContact O-N 3.16Å; I398-G401 VanDerWaalsContact O-N 3.17Å
399H84.8Confident85.4Confident89 Ų8976.1 Ų76.141%0.41241%0.406SS..Hα-helixtrans-60.3-42.9178.1-57.4-51.6000113.4C382 H395 Q396 G401C382-H399 PolarHBondContact SG-NE2 2.94Å; C382-H399 VanDerWaalsContact SG-NE2 3.41Å; H395-H399 AromaticContact CD2-NE2 3.81Å; H395-H399 AromaticContact CE1-NE2 3.8Å; H395-H399 AromaticContact NE2-CD2 3.76Å; H395-H399 AromaticContact NE2-CE1 3.98Å; H395-H399 AromaticContact NE2-NE2 3Å; H395-H399 PolarHBondContact NE2-NE2 3.42Å; Q396-H399 PolarHBondContact O-N 2.59Å; H399-G401 VanDerWaalsContact C-N 3.32Å; H399-G401 PolarHBondContact O-N 3.35Å
400S84.3Confident85.6Confident85 Ų8575.7 Ų75.759%0.59441%0.408SS*.THydrogen-bonded Turntrans-85.21.1178.263.50000114.8Q396 I398 A402Q396-S400 PolarHBondContact O-N 3.28Å; Q396-S400 PolarHBondContact O-OG 3.1Å; I398-S400 PolarHBondContact O-N 3.11Å; S400-A402 PolarHBondContact O-N 3.25Å; S400-A402 WeakPolarHBondContact OG-CB 3.34Å
401G84.5Confident85.6Confident46 Ų4674.1 Ų74.147%0.47440%0.398SS..  trans60.28.4-174.800000115.4R397 I398 H399 K403R397-G401 CarbonylContact O-C 3.58Å; R397-G401 WeakPolarHBondContact O-CA 3.5Å; R397-G401 PolarHBondContact O-N 3.06Å; I398-G401 PolarHBondContact O-N 3.16Å; I398-G401 VanDerWaalsContact O-N 3.17Å; H399-G401 VanDerWaalsContact C-N 3.32Å; H399-G401 PolarHBondContact O-N 3.35Å; G401-K403 WeakPolarHBondContact O-CG 3.46Å; G401-K403 PolarHBondContact O-N 2.88Å; G401-K403 VanDerWaalsContact O-N 3.08Å
402A84.8Confident85.8Confident40 Ų4075.9 Ų75.933%0.33140%0.404SS..  trans-65.3109.2-167.300000112.9R397 S400 P404R397-A402 HydrophobicContact CB-CB 4.19Å; R397-A402 HydrophobicContact CG-CB 4.29Å; R397-A402 PolarHBondContact O-N 3.42Å; R397-A402 VanDerWaalsContact O-N 3.11Å; S400-A402 PolarHBondContact O-N 3.25Å; S400-A402 WeakPolarHBondContact OG-CB 3.34Å; A402-P404 VanDerWaalsContact C-CD 3.41Å; A402-P404 WeakPolarHBondContact O-CD 3.45Å
403K86.8Confident85.8Confident116 Ų11681.9 Ų81.950%0.50443%0.426SS..  trans-111.377.7177-65.8163.2-173.7175.40110.7G401 F405 R413 C414G401-K403 WeakPolarHBondContact O-CG 3.46Å; G401-K403 PolarHBondContact O-N 2.88Å; G401-K403 VanDerWaalsContact O-N 3.08Å; K403-F405 VanDerWaalsContact C-N 3.34Å; K403-F405 PolarHBondContact O-N 3.37Å; K403-R413 HydrophobicContact CB-CB 3.71Å; K403-R413 HydrophobicContact CD-CB 4.35Å; K403-R413 PolarHBondContact O-NE 3.14Å; K403-R413 PolarHBondContact O-NH2 3Å; K403-R413 VanDerWaalsContact O-NH2 3.1Å; K403-C414 CarbonylContact C-O 3.45Å; K403-C414 WeakPolarHBondContact CA-O 3.34Å
404P81.6Confident85.9Confident75 Ų7574.9 Ų74.949%0.48740%0.401SS..  trans-73.2-20.6-176.228.5-35.6000114A402A402-P404 VanDerWaalsContact C-CD 3.41Å; A402-P404 WeakPolarHBondContact O-CD 3.45Å
405F87.4Confident85.8Confident64 Ų6472.8 Ų72.828%0.28140%0.396SS..EExtended strand (participates in β ladder)trans-93.3112.4-178.4-55.9-78.1000110K403 R413 C414 L420K403-F405 VanDerWaalsContact C-N 3.34Å; K403-F405 PolarHBondContact O-N 3.37Å; F405-R413 CarbonylContact O-C 3.49Å; F405-R413 VanDerWaalsContact O-CA 3.31Å; F405-R413 WeakPolarHBondContact O-CA 3.45Å; F405-C414 PolarHBondContact N-O 3.26Å; F405-C414 PolarHBondContact O-N 2.95Å; F405-L420 HydrophobicContact CB-CB 4.22Å; F405-L420 HydrophobicContact CB-CD2 4.03Å
406R88.9Confident85.7Confident164 Ų16473.3 Ų73.362%0.61940%0.399SS*.EExtended strand (participates in β ladder)trans-105.4137.5178-177.3179.1-178.9-133.30.1110.6H412 R413R406-H412 CarbonylContact C-O 3.58Å; R406-R413 HydrophobicContact CB-CG 4.34Å; R406-R413 HydrophobicContact CG-CG 4.26Å
407C87.9Confident85.6Confident1 Ų172 Ų721%0.00740%0.398CS..  trans-75.9125.7166.7178.80000110V409 G411 H412 L420 H427C407-V409 VanDerWaalsContact C-N 3.33Å; C407-V409 PolarHBondContact SG-N 3.36Å; C407-G411 WeakPolarHBondContact O-CA 3.48Å; C407-G411 PolarHBondContact O-N 3.06Å; C407-H412 HydrophobicContact CB-CB 4.26Å; C407-H412 WeakPolarHBondContact CB-O 3.24Å; C407-H412 PolarHBondContact N-O 3.38Å; C407-L420 HydrophobicContact CB-CD1 3.77Å; C407-H427 PolarHBondContact SG-NE2 3.13Å; C407-H427 VanDerWaalsContact SG-NE2 3.43Å
408A83.4Confident85.5Confident94 Ų9473.4 Ų73.478%0.77741%0.409SS*.THydrogen-bonded Turntrans-65.9-34.9176.400000112.6
409V85.5Confident85.5Confident98 Ų9870.1 Ų70.159%0.59439%0.393SS*.THydrogen-bonded Turntrans-75.1-43.5-173.1-176.70000113C407 M424C407-V409 VanDerWaalsContact C-N 3.33Å; C407-V409 PolarHBondContact SG-N 3.36Å; V409-M424 HydrophobicContact CG2-CE 3.96Å
410C86.9Confident85.6Confident61 Ų6167.4 Ų67.441%0.41238%0.381SS..THydrogen-bonded Turntrans-128.112.5-174.470.70000114.3H412 H423 H427C410-H412 PolarHBondContact O-N 3.33Å; C410-H423 VanDerWaalsContact SG-CE1 3.6Å; C410-H423 PolarHBondContact SG-NE2 2.82Å; C410-H427 VanDerWaalsContact SG-CE1 3.54Å; C410-H427 PolarHBondContact SG-NE2 3.36Å; C410-H427 VanDerWaalsContact SG-NE2 3.36Å
411G83.6Confident85.6Confident26 Ų2670.5 Ų70.527%0.26838%0.384SS..  trans68.6-10.3178.700000116.5C407 R413C407-G411 WeakPolarHBondContact O-CA 3.48Å; C407-G411 PolarHBondContact O-N 3.06Å; G411-R413 WeakPolarHBondContact O-CG 3.31Å; G411-R413 PolarHBondContact O-N 3.22Å
412H87.7Confident85.6Confident87 Ų8772.5 Ų72.540%0.40338%0.378SS..  trans-51.8133.4-178.1177.477.8000112.5R406 C407 C410 H423R406-H412 CarbonylContact C-O 3.58Å; C407-H412 HydrophobicContact CB-CB 4.26Å; C407-H412 WeakPolarHBondContact CB-O 3.24Å; C407-H412 PolarHBondContact N-O 3.38Å; C410-H412 PolarHBondContact O-N 3.33Å; H412-H423 AromaticContact CD2-CE1 3.54Å; H412-H423 AromaticContact CD2-ND1 3.42Å; H412-H423 PolarHBondContact CD2-ND1 2.87Å; H412-H423 AromaticContact CG-CE1 3.56Å; H412-H423 AromaticContact CG-ND1 3.89Å
413R88.4Confident85.7Confident140 Ų14071.8 Ų71.853%0.52837%0.367SS..EExtended strand (participates in β ladder)trans-114.9135.7-176.1-53.1-175.768.2145.11.6111.7K403 F405 R406 G411K403-R413 HydrophobicContact CB-CB 3.71Å; K403-R413 HydrophobicContact CD-CB 4.35Å; K403-R413 PolarHBondContact O-NE 3.14Å; K403-R413 PolarHBondContact O-NH2 3Å; K403-R413 VanDerWaalsContact O-NH2 3.1Å; F405-R413 CarbonylContact O-C 3.49Å; F405-R413 VanDerWaalsContact O-CA 3.31Å; F405-R413 WeakPolarHBondContact O-CA 3.45Å; R406-R413 HydrophobicContact CB-CG 4.34Å; R406-R413 HydrophobicContact CG-CG 4.26Å; G411-R413 WeakPolarHBondContact O-CG 3.31Å; G411-R413 PolarHBondContact O-N 3.22Å
414C86.1Confident85.5Confident10 Ų1069.1 Ų69.17%0.06836%0.357CS..EExtended strand (participates in β ladder)trans-134.4163.2176.366.70000113K403 F405 Q416 N419 L420K403-C414 CarbonylContact C-O 3.45Å; K403-C414 WeakPolarHBondContact CA-O 3.34Å; F405-C414 PolarHBondContact N-O 3.26Å; F405-C414 PolarHBondContact O-N 2.95Å; C414-Q416 PolarHBondContact SG-O 3.26Å; C414-Q416 VanDerWaalsContact SG-O 3.35Å; C414-N419 HydrophobicContact CB-CB 4.12Å; C414-L420 PolarHBondContact SG-N 3.43Å; C414-L420 VanDerWaalsContact SG-N 3.41Å
415N83.3Confident85.7Confident43 Ų4367.2 Ų67.223%0.2334%0.343CS..SBendtrans-86.9-6.7-175.661.4-0.4000114.8R397R397-N415 HydrophobicContact CB-CB 4.49Å; R397-N415 PolarHBondContact NH1-O 3.16Å
416Q84.7Confident85.4Confident36 Ų3672.6 Ų72.617%0.16836%0.361CS..SBendtrans-141.7135.9-176.4-62.4-176.368.200112.6R394 C414 M418 N419 L420R394-Q416 VanDerWaalsContact CD-CD 3.43Å; R394-Q416 HydrophobicContact CG-CG 4.36Å; C414-Q416 PolarHBondContact SG-O 3.26Å; C414-Q416 VanDerWaalsContact SG-O 3.35Å; Q416-M418 VanDerWaalsContact C-N 3.29Å; Q416-M418 HydrophobicContact CB-CG 4.28Å; Q416-M418 PolarHBondContact O-N 2.92Å; Q416-M418 VanDerWaalsContact OE1-CE 3.26Å; Q416-N419 HydrophobicContact CB-CB 4.49Å; Q416-N419 WeakPolarHBondContact O-CB 3.41Å; Q416-N419 PolarHBondContact O-N 2.91Å; Q416-L420 PolarHBondContact O-N 2.97Å
417S85Confident85.1Confident53 Ų5367.9 Ų67.937%0.37135%0.346SS..Hα-helixtrans-57.3-37.7179.3179.40000113.4N419 L420 K421S417-N419 VanDerWaalsContact C-N 3.27Å; S417-N419 PolarHBondContact O-N 3.12Å; S417-L420 WeakPolarHBondContact O-CB 3.37Å; S417-L420 PolarHBondContact O-N 2.87Å; S417-L420 VanDerWaalsContact O-N 3.1Å; S417-K421 PolarHBondContact O-N 3.24Å
418M83.9Confident84.8Confident107 Ų10771.7 Ų71.753%0.52737%0.37SS..Hα-helixtrans-62.8-33177.174.4-164.8-161.900112.8Q416 K421 R422Q416-M418 VanDerWaalsContact C-N 3.29Å; Q416-M418 HydrophobicContact CB-CG 4.28Å; Q416-M418 PolarHBondContact O-N 2.92Å; Q416-M418 VanDerWaalsContact OE1-CE 3.26Å; M418-K421 PolarHBondContact O-N 3.49Å; M418-R422 VanDerWaalsContact O-CB 3.31Å; M418-R422 WeakPolarHBondContact O-CB 3.4Å; M418-R422 PolarHBondContact O-N 3.13Å
419N86.2Confident84.6Confident37 Ų3769.9 Ų69.920%0.19836%0.36CS..Hα-helixtrans-70-37175.2-70.9-19.4000110.8C414 Q416 S417 R422 H423C414-N419 HydrophobicContact CB-CB 4.12Å; Q416-N419 HydrophobicContact CB-CB 4.49Å; Q416-N419 WeakPolarHBondContact O-CB 3.41Å; Q416-N419 PolarHBondContact O-N 2.91Å; S417-N419 VanDerWaalsContact C-N 3.27Å; S417-N419 PolarHBondContact O-N 3.12Å; N419-R422 PolarHBondContact OD1-NH2 3.07Å; N419-H423 WeakPolarHBondContact O-CB 3.32Å; N419-H423 PolarHBondContact O-N 3.32Å
420L87Confident84.3Confident32 Ų3273.5 Ų73.517%0.16836%0.363CS..Hα-helixtrans-64.8-48.9172.7-177.959000111.4F405 C407 C414 Q416 S417 R422 H423 M424F405-L420 HydrophobicContact CB-CB 4.22Å; F405-L420 HydrophobicContact CB-CD2 4.03Å; C407-L420 HydrophobicContact CB-CD1 3.77Å; C414-L420 PolarHBondContact SG-N 3.43Å; C414-L420 VanDerWaalsContact SG-N 3.41Å; Q416-L420 PolarHBondContact O-N 2.97Å; S417-L420 WeakPolarHBondContact O-CB 3.37Å; S417-L420 PolarHBondContact O-N 2.87Å; S417-L420 VanDerWaalsContact O-N 3.1Å; L420-R422 VanDerWaalsContact C-N 3.31Å; L420-R422 PolarHBondContact O-N 3.38Å; L420-H423 WeakPolarHBondContact O-CB 3.47Å; L420-H423 PolarHBondContact O-N 3.12Å; L420-H423 VanDerWaalsContact O-N 3.13Å; L420-M424 WeakPolarHBondContact O-CG 3.27Å; L420-M424 PolarHBondContact O-N 2.82Å
421K84.4Confident84.1Confident151 Ų15177 Ų7766%0.65737%0.371SS*.Hα-helixtrans-56.5-44.8177.2-69.7-172.9179.7-170.70111.9S417 M418 M424S417-K421 PolarHBondContact O-N 3.24Å; M418-K421 PolarHBondContact O-N 3.49Å; K421-M424 PolarHBondContact O-N 3.4Å
422R83.4Confident84Confident88 Ų8879.3 Ų79.333%0.33238%0.381SS..Hα-helixtrans-64.1-41.6175.5-178.6163.759.6166.7-3.6112.3M418 N419 L420 M424 L425 D446M418-R422 VanDerWaalsContact O-CB 3.31Å; M418-R422 WeakPolarHBondContact O-CB 3.4Å; M418-R422 PolarHBondContact O-N 3.13Å; N419-R422 PolarHBondContact OD1-NH2 3.07Å; L420-R422 VanDerWaalsContact C-N 3.31Å; L420-R422 PolarHBondContact O-N 3.38Å; R422-M424 VanDerWaalsContact C-N 3.31Å; R422-M424 PolarHBondContact O-N 3.19Å; R422-L425 VanDerWaalsContact O-CB 3.3Å; R422-L425 WeakPolarHBondContact O-CB 3.25Å; R422-L425 PolarHBondContact O-N 3Å; R422-L425 VanDerWaalsContact O-N 3.16Å; R422-D446 IonicContact NH1-OD2 3.47Å; R422-D446 PolarHBondContact NH1-OD2 3.38Å
423H87.1Confident83.8Confident24 Ų2477.7 Ų77.711%0.11137%0.374CS..Hα-helixtrans-61.5-36.5174.3173.3102.3000112.5C410 H412 N419 L420 L425 R426 H427C410-H423 VanDerWaalsContact SG-CE1 3.6Å; C410-H423 PolarHBondContact SG-NE2 2.82Å; H412-H423 AromaticContact CD2-CE1 3.54Å; H412-H423 AromaticContact CD2-ND1 3.42Å; H412-H423 PolarHBondContact CD2-ND1 2.87Å; H412-H423 AromaticContact CG-CE1 3.56Å; H412-H423 AromaticContact CG-ND1 3.89Å; N419-H423 WeakPolarHBondContact O-CB 3.32Å; N419-H423 PolarHBondContact O-N 3.32Å; L420-H423 WeakPolarHBondContact O-CB 3.47Å; L420-H423 PolarHBondContact O-N 3.12Å; L420-H423 VanDerWaalsContact O-N 3.13Å; H423-L425 PolarHBondContact O-N 3.48Å; H423-R426 PolarHBondContact CE1-NH2 2.88Å; H423-R426 WeakPolarHBondContact O-CB 3.43Å; H423-R426 PolarHBondContact O-N 3.11Å; H423-H427 AromaticContact CD2-CD2 3.84Å; H423-H427 AromaticContact CD2-NE2 3.53Å; H423-H427 AromaticContact CE1-NE2 3.96Å; H423-H427 AromaticContact NE2-CD2 3.78Å; H423-H427 AromaticContact NE2-CE1 4Å; H423-H427 AromaticContact NE2-NE2 2.98Å; H423-H427 PolarHBondContact NE2-NE2 3.34Å
424M83.4Confident83.8Confident60 Ų6073.9 Ų73.930%0.29637%0.372SS..Hα-helixtrans-64.8-20.5175.9-66-57.5-62.500113.8V409 L420 K421 R422 R426 H427 T428V409-M424 HydrophobicContact CG2-CE 3.96Å; L420-M424 WeakPolarHBondContact O-CG 3.27Å; L420-M424 PolarHBondContact O-N 2.82Å; K421-M424 PolarHBondContact O-N 3.4Å; R422-M424 VanDerWaalsContact C-N 3.31Å; R422-M424 PolarHBondContact O-N 3.19Å; M424-R426 PolarHBondContact O-N 3.19Å; M424-H427 PolarHBondContact O-N 3.46Å; M424-T428 PolarHBondContact O-N 3.3Å; M424-T428 VanDerWaalsContact O-N 3.12Å; M424-T428 PolarHBondContact O-OG1 3.48Å
425L85.5Confident83.9Confident35 Ų3573.8 Ų73.818%0.18337%0.372CS..Hα-helixtrans-64.5-27.2172.1-60.8175.5000112.1R422 H423 T428 G429 R430 P432 A443R422-L425 VanDerWaalsContact O-CB 3.3Å; R422-L425 WeakPolarHBondContact O-CB 3.25Å; R422-L425 PolarHBondContact O-N 3Å; R422-L425 VanDerWaalsContact O-N 3.16Å; H423-L425 PolarHBondContact O-N 3.48Å; L425-T428 WeakPolarHBondContact CA-OG1 3.4Å; L425-G429 PolarHBondContact O-N 2.87Å; L425-R430 HydrophobicContact CD2-CB 4.05Å; L425-R430 PolarHBondContact O-N 3.2Å; L425-P432 HydrophobicContact CD1-CG 4.09Å; L425-P432 HydrophobicContact CD2-CG 4.18Å; L425-A443 HydrophobicContact CB-CB 3.84Å; L425-A443 HydrophobicContact CD1-CB 4.09Å; L425-A443 WeakPolarHBondContact CD1-O 3.27Å
426R82.2Confident84Confident177 Ų17777.1 Ų77.167%0.66841%0.405SS*.Hα-helixtrans-69.1-39.1175.1-170.4174.666.9172.97.1112.4H423 M424H423-R426 PolarHBondContact CE1-NH2 2.88Å; H423-R426 WeakPolarHBondContact O-CB 3.43Å; H423-R426 PolarHBondContact O-N 3.11Å; M424-R426 PolarHBondContact O-N 3.19Å
427H82.2Confident84Confident65 Ų6584 Ų8430%0.30143%0.43SS..Hα-helixtrans-74.6-31.1177.9-62.3-58.1000112.8C407 C410 H423 M424C407-H427 PolarHBondContact SG-NE2 3.13Å; C407-H427 VanDerWaalsContact SG-NE2 3.43Å; C410-H427 VanDerWaalsContact SG-CE1 3.54Å; C410-H427 PolarHBondContact SG-NE2 3.36Å; C410-H427 VanDerWaalsContact SG-NE2 3.36Å; H423-H427 AromaticContact CD2-CD2 3.84Å; H423-H427 AromaticContact CD2-NE2 3.53Å; H423-H427 AromaticContact CE1-NE2 3.96Å; H423-H427 AromaticContact NE2-CD2 3.78Å; H423-H427 AromaticContact NE2-CE1 4Å; H423-H427 AromaticContact NE2-NE2 2.98Å; H423-H427 PolarHBondContact NE2-NE2 3.34Å; M424-H427 PolarHBondContact O-N 3.46Å
428T80.3Confident84.2Confident82 Ų8284.6 Ų84.650%0.50343%0.433SS..SBendtrans-93.9-1.9-178.453.50000113.7M424 L425 R430M424-T428 PolarHBondContact O-N 3.3Å; M424-T428 VanDerWaalsContact O-N 3.12Å; M424-T428 PolarHBondContact O-OG1 3.48Å; L425-T428 WeakPolarHBondContact CA-OG1 3.4Å; T428-R430 PolarHBondContact O-N 3.21Å
429G80Confident84.1Confident56 Ų5682.5 Ų82.558%0.57744%0.439SS*.  trans63.4-4.2-176.100000115.8L425 K431L425-G429 PolarHBondContact O-N 2.87Å; G429-K431 PolarHBondContact O-N 3.14Å
430R79.1Confident84.1Confident174 Ų17485.1 Ų85.166%0.65745%0.447SS*.  trans-66.6127.2-172.6-65.6-172.674.8-161.13.8110.9L425 T428 P432L425-R430 HydrophobicContact CD2-CB 4.05Å; L425-R430 PolarHBondContact O-N 3.2Å; T428-R430 PolarHBondContact O-N 3.21Å; R430-P432 WeakPolarHBondContact O-CD 3.36Å
431K83.7Confident84Confident133 Ų13385.1 Ų85.158%0.57845%0.451SS*.  trans-115.586.8178-69.6166.4174.6-175.10109.4G429 H433 A441 T442G429-K431 PolarHBondContact O-N 3.14Å; K431-H433 PolarHBondContact O-N 3.04Å; K431-A441 HydrophobicContact CB-CB 3.86Å; K431-A441 HydrophobicContact CD-CB 4.04Å; K431-A441 WeakPolarHBondContact CD-O 3.29Å; K431-T442 CarbonylContact C-O 3.56Å
432P80Confident84Confident75 Ų7578.5 Ų78.549%0.48742%0.424SS..  trans-72.3-11-170.3-17.433000114.5L425 R430L425-P432 HydrophobicContact CD1-CG 4.09Å; L425-P432 HydrophobicContact CD2-CG 4.18Å; R430-P432 WeakPolarHBondContact O-CD 3.36Å
433H84.3Confident83.9Confident53 Ų5375.3 Ų75.325%0.24542%0.416CS..EExtended strand (participates in β ladder)trans-116.7100.9-175.7-51.1-63.8000109.2K431 A441 T442 W445 Y448K431-H433 PolarHBondContact O-N 3.04Å; H433-A441 CarbonylContact O-C 3.46Å; H433-A441 WeakPolarHBondContact O-CA 3.4Å; H433-T442 HydrophobicContact CB-CG2 4.27Å; H433-T442 PolarHBondContact N-O 2.79Å; H433-T442 PolarHBondContact O-N 3.06Å; H433-W445 PolarHBondContact CD2-N 2.84Å; H433-W445 AromaticContact CE1-CE3 3.86Å; H433-W445 AromaticContact ND1-CE3 3.63Å; H433-Y448 HydrophobicContact CB-CD1 4.28Å; H433-Y448 HydrophobicContact CB-CD2 3.8Å; H433-Y448 HydrophobicContact CB-CG 3.65Å
434A87.6Confident83.6Confident60 Ų6077.5 Ų77.550%0.49643%0.426SS..EExtended strand (participates in β ladder)trans-113.7135.4-179.400000111Y440 A441 Y448A434-Y440 CarbonylContact C-O 3.59Å; A434-Y440 WeakPolarHBondContact CA-O 3.49Å; A434-A441 HydrophobicContact CB-CB 3.99Å; A434-Y448 WeakPolarHBondContact O-CE2 3.42Å
435C89.3Confident83.6Confident9 Ų980.1 Ų80.16%0.06143%0.433CS..  trans-84115178.1-178.40000110R437 C438 G439 Y440 Y448C435-R437 PolarHBondContact O-N 3.38Å; C435-C438 PolarHBondContact O-N 2.89Å; C435-G439 WeakPolarHBondContact O-CA 3.38Å; C435-G439 PolarHBondContact O-N 3.32Å; C435-Y440 PolarHBondContact N-O 3.2Å; C435-Y448 HydrophobicContact CB-CE2 4.2Å
436A84.5Confident83.6Confident112 Ų11283 Ų8393%0.92645%0.448SS*.THydrogen-bonded Turntrans-60.7-25.1178.100000113.8
437R84.9Confident83.8Confident180 Ų18076.9 Ų76.968%0.67943%0.429SS*.THydrogen-bonded Turntrans-84-19.7-175.1-165.4169.3176.8-172.8-7.7114.7C435 H455C435-R437 PolarHBondContact O-N 3.38Å; R437-H455 PolarHBondContact NH1-O 2.82Å
438C89.6Confident84.1Confident67 Ų6775.4 Ų75.445%0.45342%0.421SS..THydrogen-bonded Turntrans-151.912.5-177.768.70000115.4C435 Y440 H451 H455C435-C438 PolarHBondContact O-N 2.89Å; C438-Y440 PolarHBondContact O-N 3.06Å; C438-H451 PolarHBondContact SG-CE1 2.93Å; C438-H451 PolarHBondContact SG-NE2 2.73Å; C438-H455 VanDerWaalsContact SG-CE1 3.58Å; C438-H455 PolarHBondContact SG-NE2 3.36Å
439G81.7Confident84.4Confident63 Ų6376.6 Ų76.665%0.64942%0.419SS*.  trans71.8-5.5177.100000116.2C435 A441C435-G439 WeakPolarHBondContact O-CA 3.38Å; C435-G439 PolarHBondContact O-N 3.32Å; G439-A441 PolarHBondContact O-N 3.39Å; G439-A441 VanDerWaalsContact O-N 3.12Å
440Y87.2Confident84.8Confident92 Ų9281.2 Ų81.236%0.36142%0.419SS..  trans-58.5118.1179176.2-95.9000111.6A434 C435 C438 T442 H451A434-Y440 CarbonylContact C-O 3.59Å; A434-Y440 WeakPolarHBondContact CA-O 3.49Å; C435-Y440 PolarHBondContact N-O 3.2Å; C438-Y440 PolarHBondContact O-N 3.06Å; Y440-T442 HydrophobicContact CE1-CG2 3.83Å; Y440-H451 WeakPolarHBondContact CB-CE1 3.46Å; Y440-H451 HydrophobicContact CD1-CB 3.8Å; Y440-H451 AromaticContact CD1-CD2 3.61Å; Y440-H451 AromaticContact CD1-CE1 3.94Å; Y440-H451 AromaticContact CD1-CG 3.32Å; Y440-H451 AromaticContact CD1-ND1 3.54Å; Y440-H451 AromaticContact CD1-NE2 3.99Å; Y440-H451 HydrophobicContact CE1-CB 3.76Å; Y440-H451 AromaticContact CE1-CG 3.8Å; Y440-H451 AromaticContact CG-CE1 3.65Å; Y440-H451 AromaticContact CG-CG 3.83Å; Y440-H451 AromaticContact CG-ND1 3.54Å; Y440-H451 AromaticContact CG-NE2 3.97Å
441A84.6Confident85.3Confident31 Ų3174.4 Ų74.426%0.25640%0.395SS..EExtended strand (participates in β ladder)trans-119.4138.718000000112.3K431 H433 A434 G439K431-A441 HydrophobicContact CB-CB 3.86Å; K431-A441 HydrophobicContact CD-CB 4.04Å; K431-A441 WeakPolarHBondContact CD-O 3.29Å; H433-A441 CarbonylContact O-C 3.46Å; H433-A441 WeakPolarHBondContact O-CA 3.4Å; A434-A441 HydrophobicContact CB-CB 3.99Å; G439-A441 PolarHBondContact O-N 3.39Å; G439-A441 VanDerWaalsContact O-N 3.12Å
442T84.5Confident85.4Confident13 Ų1371.8 Ų71.88%0.0839%0.385CS..EExtended strand (participates in β ladder)trans-142.6153.4-178.4-172.30000113K431 H433 Y440 H444 N447K431-T442 CarbonylContact C-O 3.56Å; H433-T442 HydrophobicContact CB-CG2 4.27Å; H433-T442 PolarHBondContact N-O 2.79Å; H433-T442 PolarHBondContact O-N 3.06Å; Y440-T442 HydrophobicContact CE1-CG2 3.83Å; T442-H444 VanDerWaalsContact C-N 3.3Å; T442-H444 VanDerWaalsContact CG2-O 3.29Å; T442-H444 WeakPolarHBondContact CG2-O 3.37Å; T442-H444 PolarHBondContact OG1-N 3.34Å; T442-N447 HydrophobicContact CG2-CB 4.06Å
443A81.6Confident85.9Confident20 Ų2077.7 Ų77.717%0.16540%0.397CS..SBendtrans-79.9-9.5175.300000113.3L425L425-A443 HydrophobicContact CB-CB 3.84Å; L425-A443 HydrophobicContact CD1-CB 4.09Å; L425-A443 WeakPolarHBondContact CD1-O 3.27Å
444H80.4Confident86.2Confident70 Ų7083.5 Ų83.532%0.32442%0.422SS..  trans-120.9119.1-173.5-71.5-119.7000111.6T442 D446 N447 Y448T442-H444 VanDerWaalsContact C-N 3.3Å; T442-H444 VanDerWaalsContact CG2-O 3.29Å; T442-H444 WeakPolarHBondContact CG2-O 3.37Å; T442-H444 PolarHBondContact OG1-N 3.34Å; H444-D446 PolarHBondContact O-N 3.13Å; H444-N447 HydrophobicContact CB-CB 4.21Å; H444-N447 WeakPolarHBondContact O-CB 3.18Å; H444-N447 PolarHBondContact O-N 3.03Å; H444-N447 VanDerWaalsContact O-N 3.13Å; H444-Y448 PolarHBondContact O-N 2.83Å; H444-Y448 VanDerWaalsContact O-N 3.08Å
445W83.1Confident85.9Confident116 Ų11685.6 Ų85.644%0.43942%0.421SS..Hα-helixtrans-52.5-38.8175.9176.9-115.1000113.8H433 N447 Y448 K449H433-W445 PolarHBondContact CD2-N 2.84Å; H433-W445 AromaticContact CE1-CE3 3.86Å; H433-W445 AromaticContact ND1-CE3 3.63Å; W445-N447 VanDerWaalsContact C-N 3.33Å; W445-N447 PolarHBondContact O-N 3.45Å; W445-Y448 AromaticContact CE3-CD1 3.57Å; W445-Y448 HydrophobicContact CE3-CD1 3.57Å; W445-Y448 HydrophobicContact CE3-CE1 4.23Å; W445-Y448 HydrophobicContact CE3-CG 4.39Å; W445-Y448 HydrophobicContact CH2-CD1 4.14Å; W445-Y448 HydrophobicContact CH2-CE1 4.14Å; W445-Y448 AromaticContact CZ3-CD1 3.32Å; W445-Y448 HydrophobicContact CZ3-CD1 3.32Å; W445-Y448 AromaticContact CZ3-CE1 3.51Å; W445-Y448 HydrophobicContact CZ3-CE1 3.51Å; W445-Y448 HydrophobicContact CZ3-CG 4.45Å; W445-Y448 WeakPolarHBondContact O-CB 3.11Å; W445-Y448 PolarHBondContact O-N 3.13Å; W445-Y448 VanDerWaalsContact O-N 3.14Å; W445-K449 HydrophobicContact CD2-CG 4.38Å; W445-K449 HydrophobicContact CH2-CG 4.46Å; W445-K449 HydrophobicContact CZ2-CD 4.12Å; W445-K449 VanDerWaalsContact CZ2-CE 3.41Å; W445-K449 HydrophobicContact CZ2-CG 3.89Å; W445-K449 PolarHBondContact O-N 2.7Å
446D85.4Confident85.8Confident94 Ų9489.4 Ų89.450%0.50344%0.439SS..Hα-helixtrans-65.7-38.5-178.3-45.1-56.7000111.5R422 H444 R450R422-D446 IonicContact NH1-OD2 3.47Å; R422-D446 PolarHBondContact NH1-OD2 3.38Å; H444-D446 PolarHBondContact O-N 3.13Å; D446-R450 WeakPolarHBondContact O-CB 3.41Å; D446-R450 PolarHBondContact O-N 2.84Å
447N86.6Confident85.8Confident49 Ų4988.2 Ų88.226%0.26241%0.413SS..Hα-helixtrans-67.8-38.6173-73.1-25.3000111.4T442 H444 W445 R450 H451T442-N447 HydrophobicContact CG2-CB 4.06Å; H444-N447 HydrophobicContact CB-CB 4.21Å; H444-N447 WeakPolarHBondContact O-CB 3.18Å; H444-N447 PolarHBondContact O-N 3.03Å; H444-N447 VanDerWaalsContact O-N 3.13Å; W445-N447 VanDerWaalsContact C-N 3.33Å; W445-N447 PolarHBondContact O-N 3.45Å; N447-R450 PolarHBondContact O-N 3.1Å; N447-R450 PolarHBondContact OD1-NH2 2.79Å; N447-H451 VanDerWaalsContact O-CB 3.28Å; N447-H451 WeakPolarHBondContact O-CB 3.43Å; N447-H451 PolarHBondContact O-N 2.83Å
448Y87.9Confident85.9Confident34 Ų3483.1 Ų83.113%0.13340%0.398CS..Hα-helixtrans-63.2-50175.6176.1-101.4000111.6H433 A434 C435 H444 W445 R450 H451 Q452H433-Y448 HydrophobicContact CB-CD1 4.28Å; H433-Y448 HydrophobicContact CB-CD2 3.8Å; H433-Y448 HydrophobicContact CB-CG 3.65Å; A434-Y448 WeakPolarHBondContact O-CE2 3.42Å; C435-Y448 HydrophobicContact CB-CE2 4.2Å; H444-Y448 PolarHBondContact O-N 2.83Å; H444-Y448 VanDerWaalsContact O-N 3.08Å; W445-Y448 AromaticContact CE3-CD1 3.57Å; W445-Y448 HydrophobicContact CE3-CD1 3.57Å; W445-Y448 HydrophobicContact CE3-CE1 4.23Å; W445-Y448 HydrophobicContact CE3-CG 4.39Å; W445-Y448 HydrophobicContact CH2-CD1 4.14Å; W445-Y448 HydrophobicContact CH2-CE1 4.14Å; W445-Y448 AromaticContact CZ3-CD1 3.32Å; W445-Y448 HydrophobicContact CZ3-CD1 3.32Å; W445-Y448 AromaticContact CZ3-CE1 3.51Å; W445-Y448 HydrophobicContact CZ3-CE1 3.51Å; W445-Y448 HydrophobicContact CZ3-CG 4.45Å; W445-Y448 WeakPolarHBondContact O-CB 3.11Å; W445-Y448 PolarHBondContact O-N 3.13Å; W445-Y448 VanDerWaalsContact O-N 3.14Å; Y448-R450 VanDerWaalsContact C-N 3.31Å; Y448-R450 PolarHBondContact O-N 3.33Å; Y448-H451 CarbonylContact O-C 3.53Å; Y448-H451 WeakPolarHBondContact O-CB 3.25Å; Y448-H451 PolarHBondContact O-N 3.12Å; Y448-H451 VanDerWaalsContact O-N 3.14Å; Y448-Q452 HydrophobicContact CD1-CG 4.19Å; Y448-Q452 HydrophobicContact CE1-CG 3.77Å; Y448-Q452 HydrophobicContact CE2-CG 4.09Å; Y448-Q452 VanDerWaalsContact CZ-CD 3.42Å; Y448-Q452 WeakPolarHBondContact O-CG 3.09Å; Y448-Q452 PolarHBondContact O-N 2.78Å; Y448-Q452 PolarHBondContact OH-NE2 3.1Å; Y448-Q452 VanDerWaalsContact OH-NE2 3.11Å
449K87.8Confident85.7Confident108 Ų10884.1 Ų84.147%0.4740%0.395SS..Hα-helixtrans-60.6-36.1175-89.7-159.2170.8-162.10113.5W445 R453W445-K449 HydrophobicContact CD2-CG 4.38Å; W445-K449 HydrophobicContact CH2-CG 4.46Å; W445-K449 HydrophobicContact CZ2-CD 4.12Å; W445-K449 VanDerWaalsContact CZ2-CE 3.41Å; W445-K449 HydrophobicContact CZ2-CG 3.89Å; W445-K449 PolarHBondContact O-N 2.7Å; K449-R453 PolarHBondContact O-N 2.84Å; K449-R453 PolarHBondContact O-NE 3.02Å
450R88.1Confident85.9Confident153 Ų15385.4 Ų85.458%0.57738%0.379SS*.Hα-helixtrans-69.9-37.6174.8176.2167.555.6173.3-3.6111.7D446 N447 Y448D446-R450 WeakPolarHBondContact O-CB 3.41Å; D446-R450 PolarHBondContact O-N 2.84Å; N447-R450 PolarHBondContact O-N 3.1Å; N447-R450 PolarHBondContact OD1-NH2 2.79Å; Y448-R450 VanDerWaalsContact C-N 3.31Å; Y448-R450 PolarHBondContact O-N 3.33Å
451H88.9Confident85.8Confident31 Ų3184.9 Ų84.914%0.14438%0.38CS..Hα-helixtrans-69.1-42.8174.3171.387000112.1C438 Y440 N447 Y448 R453 K454 H455C438-H451 PolarHBondContact SG-CE1 2.93Å; C438-H451 PolarHBondContact SG-NE2 2.73Å; Y440-H451 WeakPolarHBondContact CB-CE1 3.46Å; Y440-H451 HydrophobicContact CD1-CB 3.8Å; Y440-H451 AromaticContact CD1-CD2 3.61Å; Y440-H451 AromaticContact CD1-CE1 3.94Å; Y440-H451 AromaticContact CD1-CG 3.32Å; Y440-H451 AromaticContact CD1-ND1 3.54Å; Y440-H451 AromaticContact CD1-NE2 3.99Å; Y440-H451 HydrophobicContact CE1-CB 3.76Å; Y440-H451 AromaticContact CE1-CG 3.8Å; Y440-H451 AromaticContact CG-CE1 3.65Å; Y440-H451 AromaticContact CG-CG 3.83Å; Y440-H451 AromaticContact CG-ND1 3.54Å; Y440-H451 AromaticContact CG-NE2 3.97Å; N447-H451 VanDerWaalsContact O-CB 3.28Å; N447-H451 WeakPolarHBondContact O-CB 3.43Å; N447-H451 PolarHBondContact O-N 2.83Å; Y448-H451 CarbonylContact O-C 3.53Å; Y448-H451 WeakPolarHBondContact O-CB 3.25Å; Y448-H451 PolarHBondContact O-N 3.12Å; Y448-H451 VanDerWaalsContact O-N 3.14Å; H451-R453 PolarHBondContact O-N 3.22Å; H451-K454 WeakPolarHBondContact O-CB 3.38Å; H451-K454 PolarHBondContact O-N 3.42Å; H451-H455 AromaticContact CD2-NE2 3.97Å; H451-H455 AromaticContact CE1-NE2 3.52Å; H451-H455 AromaticContact NE2-CD2 3.67Å; H451-H455 AromaticContact NE2-NE2 3.07Å; H451-H455 PolarHBondContact NE2-NE2 2.98Å
452Q86.8Confident85.9Confident78 Ų7888.8 Ų88.836%0.36439%0.389SS..Hα-helixtrans-56.9-34.7177-78.9-169.2-64.100112.7Y448 K454 H455Y448-Q452 HydrophobicContact CD1-CG 4.19Å; Y448-Q452 HydrophobicContact CE1-CG 3.77Å; Y448-Q452 HydrophobicContact CE2-CG 4.09Å; Y448-Q452 VanDerWaalsContact CZ-CD 3.42Å; Y448-Q452 WeakPolarHBondContact O-CG 3.09Å; Y448-Q452 PolarHBondContact O-N 2.78Å; Y448-Q452 PolarHBondContact OH-NE2 3.1Å; Y448-Q452 VanDerWaalsContact OH-NE2 3.11Å; Q452-K454 PolarHBondContact O-N 3.25Å; Q452-K454 VanDerWaalsContact O-N 3.15Å; Q452-H455 PolarHBondContact O-N 3.39Å
453R90.3Very high86Confident199 Ų19994.6 Ų94.675%0.75141%0.413SS*.THydrogen-bonded Turntrans-69.5-0176.2-77.8-176.9-78.5160.5-9.5115K449 H451K449-R453 PolarHBondContact O-N 2.84Å; K449-R453 PolarHBondContact O-NE 3.02Å; H451-R453 PolarHBondContact O-N 3.22Å
454K88.8Confident86.4Confident175 Ų175100.8 Ų100.876%0.76143%0.434SS*.THydrogen-bonded Turntrans-94.54.6171.7-60.6-168.1169.2-159.50113.1H451 Q452H451-K454 WeakPolarHBondContact O-CB 3.38Å; H451-K454 PolarHBondContact O-N 3.42Å; Q452-K454 PolarHBondContact O-N 3.25Å; Q452-K454 VanDerWaalsContact O-N 3.15Å
455H82.6Confident86.9Confident103 Ų103103.6 Ų103.648%0.47744%0.444SS..  trans-127.40-176.7-66.2-81.7000110.5R437 C438 H451 Q452R437-H455 PolarHBondContact NH1-O 2.82Å; C438-H455 VanDerWaalsContact SG-CE1 3.58Å; C438-H455 PolarHBondContact SG-NE2 3.36Å; H451-H455 AromaticContact CD2-NE2 3.97Å; H451-H455 AromaticContact CE1-NE2 3.52Å; H451-H455 AromaticContact NE2-CD2 3.67Å; H451-H455 AromaticContact NE2-NE2 3.07Å; H451-H455 PolarHBondContact NE2-NE2 2.98Å; Q452-H455 PolarHBondContact O-N 3.39Å

Retrieved 455 of 455 residues in 110.4 ms (Link to these results)