A0A087XTY5_POEFO Loading...

Trafficking regulator and scaffold protein tamalin

Plays a role in intracellular trafficking and contributes to the macromolecular organization of group 1 metabotropic glutamate receptors (mGluRs) at synapses.

AlphaFold DB , UniProt , Accession A0A087XTY5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 376 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
1M37.2Very low37.5Very low231 Ų231176.5 Ų176.5100%1.13885%0.851SS**  095.10-74.6164.416900107.4
2T35.6Very low37.5Very low114 Ų114171.4 Ų171.470%0.69985%0.847SS**  54.1127.991.456.90000112.9
3F36.2Very low37.1Very low168 Ų168163.5 Ų163.574%0.73784%0.836SS**  cis-164151.5-2.9-101.8-73.7000107.8
4R40.8Very low37.1Very low226 Ų226161.6 Ų161.685%0.85384%0.835SS**  trans22139.6144.3-65172.7-176.4-176.61.1121.6
5R36.7Very low37Very low242 Ų242161.4 Ų161.491%0.91384%0.836SS**  -158.2117.5114.8-139.9171.9-167.5162.23.1113.8
6L41.8Very low36.6Very low171 Ų171155.9 Ų155.990%0.89583%0.831SS**  trans-88.7138.8153.3-93.9151.9000107.7
7K41.3Very low36.2Very low202 Ų202150.9 Ų150.988%0.87883%0.826SS**  trans-156.5132.1140.7-148178.2175.8179.20112.4
8K39Very low35.9Very low185 Ų185149.4 Ų149.480%0.80483%0.828SS**  trans-78.7159.2172.6-176.8174.6-179.2175.30110.4
9V34.6Very low35.7Very low125 Ų125146.4 Ų146.476%0.75882%0.824SS**  153.9132125.11680000112.4
10N33.1Very low35.7Very low159 Ų159144.5 Ų144.585%0.8582%0.821SS**  trans-30.4154.3165.6-72.4-12.5000118.2
11S36.3Very low35.7Very low119 Ų119146.6 Ų146.683%0.83282%0.824SS**  -167.1138.5127.5-174.20000112.1
12S37.1Very low35.6Very low115 Ų115143.6 Ų143.680%0.80481%0.812SS**  trans-88.8168.4177.347.20000113.9
13G33Very low35.6Very low68 Ų68145 Ų14570%0.70182%0.816SS**  trans111.7106.9160.300000113.6
14V36.9Very low35.7Very low137 Ų137145.1 Ų145.183%0.8382%0.824SS**  89.7126.164.6176.10000113.5
15D34.7Very low35.5Very low159 Ų159142 Ų14285%0.8582%0.822SS**  trans65.1127.8156-77.3-27.1000124.1
16G31.1Very low35.2Very low73 Ų73138.8 Ų138.875%0.75381%0.812SS**  117.6116.1104.300000119.4
17G30.6Very low34.7Very low72 Ų72138.6 Ų138.674%0.74280%0.804SS**  trans77.8112.3147.500000117.6
18S30.8Very low34.4Very low123 Ų123134.2 Ų134.286%0.8680%0.796SS**  88.7118.765.370.90000115.6
19A31.7Very low34.2Very low92 Ų92131.3 Ų131.376%0.7680%0.799SS**  trans88110.3147.700000120.5
20S35.8Very low34.3Very low109 Ų109130.5 Ų130.576%0.76280%0.799SS**  149.6121.7103.5-67.80000114.2
21Q34.9Very low34.4Very low189 Ų189132 Ų13288%0.88380%0.798SS**  trans34.7115.9148.3-71.1176-13.600120.8
22D36.6Very low34.9Very low167 Ų167131.3 Ų131.389%0.89379%0.793SS**  -152.9139.1120.2-126-20.2000111.2
23N33.6Very low34.5Very low144 Ų144133.3 Ų133.377%0.7779%0.794SS**  trans-88.6118.5-177.8-79.6-54.2000109.9
24D39.3Very low34.7Very low170 Ų170134.8 Ų134.891%0.90979%0.794SS**  trans-134.3129.1155.6-93-38000110.6
25I37.1Very low34.4Very low160 Ų160134.4 Ų134.482%0.82180%0.796SS**  trans-92.1123.5-168.5-73.9173.1000109.3
26Y30.3Very low34.3Very low176 Ų176137.3 Ų137.369%0.6980%0.795SS**  trans88.698.4140.3-149.9-123.5000120.7
27F31.4Very low34.7Very low167 Ų167140.1 Ų140.173%0.73280%0.798SS**  168.5106.2107.2-98.5-72.5000108.9
28P34.4Very low35Very low110 Ų110142.2 Ų142.271%0.71480%0.796SS**  trans-87.9116.3176.228.8-22.4000111.2S30P28-S30 PolarHBondContact O-N 3.23Å
29S36Very low35.6Very low124 Ų124144 Ų14487%0.86780%0.796SS**  trans-7496.8154.7-177.60000107.5K31S29-K31 PolarHBondContact O-N 3.01Å
30S35.2Very low35.6Very low107 Ų107146.2 Ų146.275%0.74879%0.794SS**  trans-66.5114-178.6-70.70000111.7P28P28-S30 PolarHBondContact O-N 3.23Å
31K35.9Very low35.6Very low192 Ų192146.9 Ų146.984%0.83580%0.796SS**  trans-67.4133.9147.9-74.9-178174.1176.40108.5S29S29-K31 PolarHBondContact O-N 3.01Å
32S45.6Very low36.1Very low104 Ų104142.3 Ų142.373%0.72779%0.791SS**  trans26.4112.6147.255.20000118.6
33D29.3Very low36.4Very low156 Ų156142.2 Ų142.283%0.83479%0.79SS**  trans-146.5117.3142.6-96-34.8000107.9
34S37.6Very low36.6Very low100 Ų100140.4 Ų140.470%0.69979%0.789SS**  64.678.7103.7-176.10000111.7R36S34-R36 PolarHBondContact O-N 3.23Å
35C31.4Very low37.2Very low129 Ų129136.6 Ų136.687%0.87278%0.775SS**  trans-67.8104.4162.1-67.50000108T37C35-T37 PolarHBondContact O-N 2.98Å
36R32.8Very low37.8Very low220 Ų220137.4 Ų137.483%0.8378%0.776SS**  trans-42126.6161.4-72.8176.2162.3173.6-5.7109.6S34 V38S34-R36 PolarHBondContact O-N 3.23Å; R36-V38 PolarHBondContact O-N 3.35Å
37T37.8Very low38.7Very low131 Ų131134.1 Ų134.180%0.80477%0.774SS**  trans-56.6101.2157.533.50000107.9C35C35-T37 PolarHBondContact O-N 2.98Å
38V37.8Very low39.4Very low116 Ų116134.8 Ų134.870%0.70377%0.773SS**  trans-81.5107.6158.1-86.30000106.3R36 L40R36-V38 PolarHBondContact O-N 3.35Å; V38-L40 HydrophobicContact CB-CD1 3.96Å; V38-L40 HydrophobicContact CG2-CD1 4.18Å; V38-L40 PolarHBondContact O-N 3.06Å
39D42.7Very low40.4Very low160 Ų160133.4 Ų133.486%0.85676%0.759SS**  trans-60105.8165.2-73.1-50.5000108
40L33Very low41Very low140 Ų140135.4 Ų135.473%0.73375%0.749SS**  trans-113.6143.8163.2-9396.4000109.4V38 A42V38-L40 HydrophobicContact CB-CD1 3.96Å; V38-L40 HydrophobicContact CG2-CD1 4.18Å; V38-L40 PolarHBondContact O-N 3.06Å; L40-A42 PolarHBondContact O-N 3.38Å
41P34.6Very low41.7Very low123 Ų123137.1 Ų137.180%0.79974%0.743SS**  trans-67.4137.2-163.827.3-33.5000111.4N43P41-N43 PolarHBondContact O-N 3.3Å
42A46Very low42.8Very low93 Ų93132.4 Ų132.477%0.76973%0.731SS**SBendtrans-55.5108171.500000110.8L40L40-A42 PolarHBondContact O-N 3.38Å
43N43Very low43.3Very low164 Ų164133 Ų13388%0.87773%0.725SS**  trans176.586143.1-94.2-28.6000110.2P41P41-N43 PolarHBondContact O-N 3.3Å
44S36.9Very low44.7Very low107 Ų107129.9 Ų129.975%0.74872%0.721SS**  trans-154.6131.6149.386.80000110.1E46S44-E46 PolarHBondContact O-N 2.77Å
45S52.8Low45.4Very low89 Ų89135.6 Ų135.662%0.62273%0.728SS**  trans-57.297178.6-175.80000111.5V47S45-V47 PolarHBondContact O-N 3.06Å; S45-V47 VanDerWaalsContact O-N 3.16Å
46E48.7Very low46.7Very low178 Ų178132.3 Ų132.383%0.83271%0.707SS**G310 helixtrans-71.53.3172.1-76.9-169.5147.900113.5S44 Y48S44-E46 PolarHBondContact O-N 2.77Å; E46-Y48 PolarHBondContact O-N 3.5Å
47V50.9Low47.7Very low107 Ų107125.2 Ų125.265%0.64870%0.702SS**G310 helixtrans-74.9-13.4-173.7-177.90000112.7S45S45-V47 PolarHBondContact O-N 3.06Å; S45-V47 VanDerWaalsContact O-N 3.16Å
48Y45Very low48.5Very low180 Ų180122.8 Ų122.871%0.70670%0.704SS**G310 helixtrans-129.835.4-172.5-61.7-76.2000115E46 Y50E46-Y48 PolarHBondContact O-N 3.5Å; Y48-Y50 PolarHBondContact O-N 2.8Å; Y48-Y50 VanDerWaalsContact O-N 3.09Å
49N55Low49.2Very low82 Ų82122.8 Ų122.844%0.43970%0.704SS.*  trans-78.197.5169.8-159.8-23.8000110.2K51 T52 L53N49-K51 PolarHBondContact O-N 2.88Å; N49-K51 VanDerWaalsContact O-N 3.11Å; N49-K51 PolarHBondContact OD1-N 2.98Å; N49-T52 PolarHBondContact O-N 3.12Å; N49-L53 PolarHBondContact O-N 3.47Å
50Y49.9Very low49.6Very low165 Ų165122.7 Ų122.765%0.64770%0.702SS**Hα-helixtrans-57-24.9-179.470.3-88.2000113.3Y48 T52 A54Y48-Y50 PolarHBondContact O-N 2.8Å; Y48-Y50 VanDerWaalsContact O-N 3.09Å; Y50-T52 VanDerWaalsContact C-N 3.34Å; Y50-A54 PolarHBondContact O-N 3.24Å
51K48.8Very low50.3Low144 Ų144121.7 Ų121.763%0.62670%0.704SS**Hα-helixtrans-69.6-31.4175.9-68-178.5174.9176.50112.3N49N49-K51 PolarHBondContact O-N 2.88Å; N49-K51 VanDerWaalsContact O-N 3.11Å; N49-K51 PolarHBondContact OD1-N 2.98Å
52T59.2Low51.3Low93 Ų93127.2 Ų127.257%0.57171%0.709SS**Hα-helixtrans-78.9-37.1-179.4-37.70000111.6N49 Y50 Y55 S56N49-T52 PolarHBondContact O-N 3.12Å; Y50-T52 VanDerWaalsContact C-N 3.34Å; T52-Y55 PolarHBondContact O-N 2.93Å; T52-S56 PolarHBondContact O-N 3.08Å; T52-S56 PolarHBondContact O-OG 2.92Å
53L57.2Low51.2Low116 Ų116129.8 Ų129.861%0.60771%0.71SS**Hα-helixtrans-67.6-34.4178.6-72.4169.5000113.1N49 Y55 S56N49-L53 PolarHBondContact O-N 3.47Å; L53-Y55 VanDerWaalsContact C-N 3.25Å; L53-Y55 PolarHBondContact O-N 3.42Å; L53-S56 PolarHBondContact O-OG 3.28Å; L53-S56 VanDerWaalsContact O-OG 3.08Å
54A57.1Low51.3Low90 Ų90131.6 Ų131.674%0.74471%0.711SS**Hα-helixtrans-68.4-24.7-179.900000113.1Y50Y50-A54 PolarHBondContact O-N 3.24Å
55Y52.8Low51.9Low220 Ų220135.9 Ų135.986%0.86372%0.716SS**Hα-helixtrans-92.1-21.6-178.4-151.1-96.7000113.1T52 L53 G57T52-Y55 PolarHBondContact O-N 2.93Å; L53-Y55 VanDerWaalsContact C-N 3.25Å; L53-Y55 PolarHBondContact O-N 3.42Å; Y55-G57 PolarHBondContact O-N 3.46Å
56S57.9Low51.8Low60 Ų60141.8 Ų141.842%0.4273%0.73SS.*SBendtrans-84.888.5171.755.10000109.8T52 L53 G58T52-S56 PolarHBondContact O-N 3.08Å; T52-S56 PolarHBondContact O-OG 2.92Å; L53-S56 PolarHBondContact O-OG 3.28Å; L53-S56 VanDerWaalsContact O-OG 3.08Å; S56-G58 VanDerWaalsContact C-N 3.27Å; S56-G58 PolarHBondContact O-N 3.02Å
57G54.9Low51.5Low71 Ų71136.8 Ų136.873%0.73273%0.726SS**  trans-5578.7179.800000115.1Y55 T59Y55-G57 PolarHBondContact O-N 3.46Å; G57-T59 VanDerWaalsContact C-N 3.32Å; G57-T59 PolarHBondContact O-N 3.16Å; G57-T59 VanDerWaalsContact O-N 3.15Å
58G53.8Low51.4Low81 Ų81135.8 Ų135.884%0.83574%0.737SS**SBendtrans68.38.2162.900000118S56S56-G58 VanDerWaalsContact C-N 3.27Å; S56-G58 PolarHBondContact O-N 3.02Å
59T52.5Low51.2Low115 Ų115130.2 Ų130.271%0.70674%0.735SS**  trans-112.2118.6177.455.20000111.3G57G57-T59 VanDerWaalsContact C-N 3.32Å; G57-T59 PolarHBondContact O-N 3.16Å; G57-T59 VanDerWaalsContact O-N 3.15Å
60L51.7Low50.9Low158 Ų158131.8 Ų131.883%0.82775%0.752SS**  trans-53.7140.6173.5-72.1165.1000110R62L60-R62 PolarHBondContact O-N 3.37Å
61P48.7Very low51Low119 Ų119131.8 Ų131.877%0.77376%0.758SS**  trans-64106-174.824.4-32.3000110.9N63P61-N63 VanDerWaalsContact C-N 3.34Å; P61-N63 PolarHBondContact O-N 3.39Å; P61-N63 VanDerWaalsContact O-N 3.12Å
62R54.9Low50.8Low240 Ų240134 Ų13491%0.90677%0.768SS**  trans-78.783.4165.3-86.7-178.5161.5144.8-4.2109L60L60-R62 PolarHBondContact O-N 3.37Å
63N43Very low50.1Low147 Ų147140.7 Ų140.779%0.78678%0.783SS**  trans-134.983.9161.9-92.7-60000109.9P61P61-N63 VanDerWaalsContact C-N 3.34Å; P61-N63 PolarHBondContact O-N 3.39Å; P61-N63 VanDerWaalsContact O-N 3.12Å
64F46.1Very low49.7Very low202 Ų202143.9 Ų143.989%0.88679%0.792SS**  trans-95.392.1166.1-135.6-90.6000107.7K66F64-K66 PolarHBondContact O-N 2.97Å
65K49.8Very low49Very low196 Ų196144.6 Ų144.685%0.85279%0.789SS**  trans-75.2114.9167.7-90.4-175.4174.9179.30108.3G67K65-G67 PolarHBondContact O-N 3.45Å
66K49.4Very low48.8Very low214 Ų214142.3 Ų142.393%0.9379%0.79SS**  trans-75.8103172-173.4176-177.3179.70108.6F64F64-K66 PolarHBondContact O-N 2.97Å
67G43.7Very low48.3Very low73 Ų73145 Ų14575%0.75381%0.805SS**SBendtrans162102.9169.900000113.8K65K65-G67 PolarHBondContact O-N 3.45Å
68G48.4Very low47.9Very low85 Ų85148 Ų14888%0.87680%0.803SS**SBendtrans80.7105.3155.800000117.2
69G41.1Very low47.7Very low63 Ų63149.2 Ų149.265%0.64980%0.796SS**  trans104.8102.3166.100000113.1Q71G69-Q71 PolarHBondContact O-N 3.36Å
70S47.6Very low47.8Very low116 Ų116149.5 Ų149.581%0.81180%0.8SS**  trans-60.685.2168.7-37.30000109.2K72S70-K72 PolarHBondContact O-N 3.09Å
71Q53Low47.9Very low165 Ų165149.3 Ų149.377%0.77180%0.795SS**  trans-65.689.8163.4-66.3-66.3-46.900105.5G69 W73G69-Q71 PolarHBondContact O-N 3.36Å; Q71-W73 VanDerWaalsContact C-N 3.31Å; Q71-W73 PolarHBondContact O-N 3.11Å
72K44.5Very low48.6Very low190 Ų190147.8 Ų147.883%0.82679%0.785SS**  trans-55.3101.9168.2-77.8179.7175.4179.50105.7S70 K74S70-K72 PolarHBondContact O-N 3.09Å; K72-K74 VanDerWaalsContact C-N 3.35Å; K72-K74 PolarHBondContact O-N 3.25Å
73W43.9Very low49.4Very low233 Ų233144.5 Ų144.588%0.88378%0.78SS**  trans-55.5106.4162.2-68.680.2000105.6Q71 P75Q71-W73 VanDerWaalsContact C-N 3.31Å; Q71-W73 PolarHBondContact O-N 3.11Å; W73-P75 WeakPolarHBondContact O-CD 3.36Å
74K48.4Very low51.5Low184 Ų184145.6 Ų145.680%0.877%0.773SS**  trans-58.7124.3167.3-71.2-173.9178.9-176.40105.5K72 L76K72-K74 VanDerWaalsContact C-N 3.35Å; K72-K74 PolarHBondContact O-N 3.25Å; K74-L76 PolarHBondContact O-N 2.67Å
75P43.8Very low53.7Low105 Ų105140.2 Ų140.268%0.68275%0.749SS**  trans-58.5114.9172.9-2031.9000107.9W73 T77W73-P75 WeakPolarHBondContact O-CD 3.36Å; P75-T77 WeakPolarHBondContact CB-OG1 3.33Å; P75-T77 PolarHBondContact O-N 3.15Å
76L47.7Very low55.8Low171 Ų171134.2 Ų134.290%0.89573%0.729SS**  trans-7541.9170.4-71.4166.6000110.3K74K74-L76 PolarHBondContact O-N 2.67Å
77T48Very low58Low118 Ų118124.1 Ų124.172%0.72469%0.685SS**  trans-95.42.5-176.740.30000113.6P75P75-T77 WeakPolarHBondContact CB-OG1 3.33Å; P75-T77 PolarHBondContact O-N 3.15Å
78L46.3Very low60.5Low134 Ų134125.8 Ų125.870%0.70268%0.677SS**SBendtrans-100.1125.4160.4-110.384.5000108.6
79P49.5Very low62.8Low105 Ų105122 Ų12268%0.68264%0.636SS**PPolyproline II helixtrans-51.6139.2157.223.6-29.4000107.3E81P79-E81 PolarHBondContact O-N 2.93Å
80P55.1Low65.3Low122 Ų122126.3 Ų126.379%0.79264%0.64SS**PPolyproline II helixtrans-49.4118.5177.220.2-31.6000107.7
81E52.6Low67.6Low154 Ų154122.8 Ų122.872%0.7261%0.61SS**PPolyproline II helixtrans-50.9132.1177.8-171.1175.4-178.300107.3P79 Q83P79-E81 PolarHBondContact O-N 2.93Å; E81-Q83 VanDerWaalsContact C-N 3.35Å; E81-Q83 PolarHBondContact O-N 2.94Å
82P63.8Low69.5Low86 Ų86120 Ų12056%0.55860%0.6SS**  trans-57101.3-177.919.2-29.3000108.6R84 V172P82-R84 PolarHBondContact O-N 3.33Å; P82-V172 HydrophobicContact CB-CG1 3.4Å
83Q72.2Confident71.7Confident172 Ų172118.9 Ų118.980%0.80460%0.598SS**  trans-68.8100.7-177.6-72.7-176.4-17.300107.3E81 K85E81-Q83 VanDerWaalsContact C-N 3.35Å; E81-Q83 PolarHBondContact O-N 2.94Å; Q83-K85 PolarHBondContact O-N 2.86Å
84R86.7Confident73.8Confident170 Ų170117.3 Ų117.364%0.64260%0.601SS**EExtended strand (participates in β ladder)trans-61.7120.5170.9-73.6-177.4-179.6-140.61.5107.9P82 T171 V172P82-R84 PolarHBondContact O-N 3.33Å; R84-T171 CarbonylContact C-O 3.54Å; R84-T171 WeakPolarHBondContact CA-O 3.46Å; R84-V172 HydrophobicContact CG-CG2 3.62Å
85K91.4Very high75.9Confident88 Ų88112 Ų11238%0.38358%0.579SS.*EExtended strand (participates in β ladder)trans-107.3129.1177-177.2-173.7175.4-168.30108.5Q83 V87 G133 E170 T171Q83-K85 PolarHBondContact O-N 2.86Å; K85-V87 HydrophobicContact CD-CG2 3.99Å; K85-V87 HydrophobicContact CG-CG2 4.14Å; K85-G133 PolarHBondContact NZ-O 3.47Å; K85-E170 CarbonylContact O-C 3.55Å; K85-E170 WeakPolarHBondContact O-CA 3.4Å; K85-T171 PolarHBondContact N-O 2.91Å; K85-T171 PolarHBondContact O-N 3.21Å
86V94.6Very high78.2Confident71 Ų71110.5 Ų110.543%0.4358%0.575SS.*EExtended strand (participates in β ladder)trans-88128.1169.4-1700000108.4R168 L169 E170V86-R168 HydrophobicContact CG1-CG 3.89Å; V86-L169 CarbonylContact C-O 3.56Å; V86-L169 WeakPolarHBondContact CA-O 3.19Å; V86-E170 HydrophobicContact CG2-CG 4.2Å
87V95.4Very high80.5Confident1 Ų1103.1 Ų103.11%0.00654%0.536CS..EExtended strand (participates in β ladder)trans-120.3116.5176.9-177.40000107.7K85 L89 A132 L134 L169K85-V87 HydrophobicContact CD-CG2 3.99Å; K85-V87 HydrophobicContact CG-CG2 4.14Å; V87-L89 HydrophobicContact CB-CD1 4.43Å; V87-L89 HydrophobicContact CG1-CD1 3.81Å; V87-L89 HydrophobicContact CG1-CG 4.25Å; V87-A132 HydrophobicContact CG1-CB 3.67Å; V87-L134 HydrophobicContact CG1-CB 4.35Å; V87-L134 HydrophobicContact CG1-CD1 4.43Å; V87-L134 HydrophobicContact CG2-CD1 4.4Å; V87-L169 HydrophobicContact CB-CB 4.5Å; V87-L169 PolarHBondContact N-O 2.97Å; V87-L169 PolarHBondContact O-N 3.5Å
88N96.4Very high82.8Confident109 Ų10998.1 Ų98.158%0.58351%0.507SS*.EExtended strand (participates in β ladder)trans-99.2117.2175-61.3-30000108.2A132 R168N88-A132 WeakPolarHBondContact O-CB 3.33Å; N88-R168 WeakPolarHBondContact OD1-CG 3.45Å
89L96Very high85.2Confident4 Ų493.2 Ų93.22%0.02148%0.48CS..EExtended strand (participates in β ladder)trans-103.6133.4175.6-56.788.3000108.9V87 F97 F99 A129 A132 L134 T166 L167 L169V87-L89 HydrophobicContact CB-CD1 4.43Å; V87-L89 HydrophobicContact CG1-CD1 3.81Å; V87-L89 HydrophobicContact CG1-CG 4.25Å; L89-F97 HydrophobicContact CB-CD1 3.62Å; L89-F97 HydrophobicContact CB-CE1 3.86Å; L89-F97 HydrophobicContact CD2-CB 4.09Å; L89-F97 HydrophobicContact CD2-CD1 4.1Å; L89-F97 HydrophobicContact CD2-CG 4.35Å; L89-F99 HydrophobicContact CD2-CD1 4.03Å; L89-F99 HydrophobicContact CD2-CE1 3.88Å; L89-A129 HydrophobicContact CD2-CB 3.63Å; L89-A132 HydrophobicContact CG-CB 4.02Å; L89-L134 HydrophobicContact CD2-CD2 4.49Å; L89-T166 WeakPolarHBondContact O-CA 3.33Å; L89-L167 HydrophobicContact CB-CB 4.28Å; L89-L167 HydrophobicContact CD1-CD2 4.19Å; L89-L167 HydrophobicContact CD1-CG 4.36Å; L89-L167 PolarHBondContact N-O 3.41Å; L89-L167 PolarHBondContact O-N 3.06Å; L89-L169 HydrophobicContact CD1-CB 4.41Å; L89-L169 HydrophobicContact CD1-CD1 3.69Å; L89-L169 HydrophobicContact CD1-CG 3.8Å
90E95.3Very high87.5Confident154 Ų15491.3 Ų91.372%0.7246%0.462SS*.EExtended strand (participates in β ladder)trans-127.6133.1174.1-174.3174.1-172.700107.8P128 N165 T166E90-P128 WeakPolarHBondContact O-CB 3.42Å; E90-N165 WeakPolarHBondContact CA-O 3.33Å; E90-T166 HydrophobicContact CG-CG2 4.49Å
91K94.6Very high89.4Confident42 Ų4286.6 Ų86.618%0.18343%0.43CS..  trans-133.4156.9-178.669170.7-162.9139.40111.2E95 F97 P128 G164 N165K91-E95 WeakPolarHBondContact CA-OE1 3.4Å; K91-E95 HydrophobicContact CB-CG 3.85Å; K91-E95 WeakPolarHBondContact CD-O 3.4Å; K91-E95 PolarHBondContact NZ-O 2.96Å; K91-F97 HydrophobicContact CB-CD1 3.93Å; K91-F97 HydrophobicContact CB-CE1 3.95Å; K91-F97 HydrophobicContact CD-CD1 3.78Å; K91-F97 HydrophobicContact CD-CD2 3.88Å; K91-F97 HydrophobicContact CD-CE1 3.67Å; K91-F97 HydrophobicContact CD-CE2 3.76Å; K91-F97 HydrophobicContact CD-CG 3.88Å; K91-F97 HydrophobicContact CD-CZ 3.65Å; K91-F97 HydrophobicContact CG-CD1 3.89Å; K91-F97 HydrophobicContact CG-CE1 3.53Å; K91-F97 HydrophobicContact CG-CE2 4.45Å; K91-F97 HydrophobicContact CG-CZ 3.83Å; K91-P128 HydrophobicContact CB-CB 4.43Å; K91-P128 HydrophobicContact CB-CG 4.11Å; K91-G164 WeakPolarHBondContact CE-O 3.33Å; K91-N165 HydrophobicContact CG-CB 4.36Å; K91-N165 PolarHBondContact N-O 2.85Å; K91-N165 WeakPolarHBondContact O-CB 3.25Å
92N93.7Very high91.3Very high107 Ų10782.1 Ų82.157%0.57241%0.409SS*.  trans-70.7159.9167.1-58.5-50000111.4E94 E95N92-E94 PolarHBondContact O-N 3.04Å; N92-E95 HydrophobicContact CB-CG 3.95Å; N92-E95 PolarHBondContact N-OE1 2.74Å; N92-E95 PolarHBondContact ND2-OE1 2.93Å; N92-E95 PolarHBondContact ND2-OE2 3.19Å; N92-E95 PolarHBondContact O-N 3.22Å
93E89.3Confident92.6Very high167 Ų16779.5 Ų79.578%0.7839%0.392SS*.THydrogen-bonded Turntrans-61.1-31.3-179-70.9178.8-173.600113.1N165E93-N165 WeakPolarHBondContact CG-ND2 3.5Å
94E88.5Confident93.3Very high200 Ų20076.3 Ų76.394%0.93537%0.373SS*.THydrogen-bonded Turntrans-89.6-13.2-175.1-61178.3-176.300113.7N92N92-E94 PolarHBondContact O-N 3.04Å
95E92.3Very high93.3Very high73 Ų7369.8 Ų69.834%0.34136%0.359SS..SBendtrans-106.8163.1-174.778.9-168.4175.900112.3K91 N92 P128K91-E95 WeakPolarHBondContact CA-OE1 3.4Å; K91-E95 HydrophobicContact CB-CG 3.85Å; K91-E95 WeakPolarHBondContact CD-O 3.4Å; K91-E95 PolarHBondContact NZ-O 2.96Å; N92-E95 HydrophobicContact CB-CG 3.95Å; N92-E95 PolarHBondContact N-OE1 2.74Å; N92-E95 PolarHBondContact ND2-OE1 2.93Å; N92-E95 PolarHBondContact ND2-OE2 3.19Å; N92-E95 PolarHBondContact O-N 3.22Å; E95-P128 HydrophobicContact CG-CG 4.36Å; E95-P128 WeakPolarHBondContact OE1-CG 3.19Å
96A93.6Very high92.6Very high72 Ų7267.5 Ų67.560%0.59535%0.35SS*.  trans-96.5157.617000000109.8G98A96-G98 PolarHBondContact O-N 3.26Å; A96-G98 VanDerWaalsContact O-N 3.13Å
97F96Very high91.5Very high17 Ų1771.1 Ų71.18%0.07536%0.363CS..  trans-59.8-24.7173.2-66.2-69.4000112.8L89 K91 F99 A129 G164 L167L89-F97 HydrophobicContact CB-CD1 3.62Å; L89-F97 HydrophobicContact CB-CE1 3.86Å; L89-F97 HydrophobicContact CD2-CB 4.09Å; L89-F97 HydrophobicContact CD2-CD1 4.1Å; L89-F97 HydrophobicContact CD2-CG 4.35Å; K91-F97 HydrophobicContact CB-CD1 3.93Å; K91-F97 HydrophobicContact CB-CE1 3.95Å; K91-F97 HydrophobicContact CD-CD1 3.78Å; K91-F97 HydrophobicContact CD-CD2 3.88Å; K91-F97 HydrophobicContact CD-CE1 3.67Å; K91-F97 HydrophobicContact CD-CE2 3.76Å; K91-F97 HydrophobicContact CD-CG 3.88Å; K91-F97 HydrophobicContact CD-CZ 3.65Å; K91-F97 HydrophobicContact CG-CD1 3.89Å; K91-F97 HydrophobicContact CG-CE1 3.53Å; K91-F97 HydrophobicContact CG-CE2 4.45Å; K91-F97 HydrophobicContact CG-CZ 3.83Å; F97-F99 HydrophobicContact CB-CD1 3.6Å; F97-F99 HydrophobicContact CB-CE1 3.45Å; F97-F99 VanDerWaalsContact CB-CE1 3.45Å; F97-F99 HydrophobicContact CD2-CE1 4.33Å; F97-F99 HydrophobicContact CG-CE1 4.08Å; F97-A129 WeakPolarHBondContact O-CB 3.39Å; F97-A129 PolarHBondContact O-N 3.37Å; F97-G164 WeakPolarHBondContact CZ-O 3.39Å; F97-L167 HydrophobicContact CD2-CD2 4.1Å; F97-L167 HydrophobicContact CE1-CB 3.8Å; F97-L167 HydrophobicContact CE2-CB 4.09Å; F97-L167 HydrophobicContact CE2-CD2 4.05Å; F97-L167 HydrophobicContact CG-CD2 4.4Å; F97-L167 HydrophobicContact CZ-CB 3.55Å; F97-L167 HydrophobicContact CZ-CD2 4.29Å
98G95.9Very high90Very high13 Ų1376.3 Ų76.313%0.13439%0.386CS..  trans78.539.6172.600000114.8A96 H124 S127A96-G98 PolarHBondContact O-N 3.26Å; A96-G98 VanDerWaalsContact O-N 3.13Å; G98-H124 PolarHBondContact O-CD2 2.86Å; G98-H124 PolarHBondContact O-N 2.67Å; G98-S127 PolarHBondContact O-OG 3.31Å
99F97.1Very high88.2Confident30 Ų3080.1 Ų80.113%0.13240%0.401CS..EExtended strand (participates in β ladder)trans-136.9161169.770.1-83.2000110.9L89 F97 I101 V120 R122 V123 A129 L134 I160 L167 L169L89-F99 HydrophobicContact CD2-CD1 4.03Å; L89-F99 HydrophobicContact CD2-CE1 3.88Å; F97-F99 HydrophobicContact CB-CD1 3.6Å; F97-F99 HydrophobicContact CB-CE1 3.45Å; F97-F99 VanDerWaalsContact CB-CE1 3.45Å; F97-F99 HydrophobicContact CD2-CE1 4.33Å; F97-F99 HydrophobicContact CG-CE1 4.08Å; F99-I101 HydrophobicContact CD2-CG2 3.84Å; F99-I101 HydrophobicContact CE2-CG2 3.64Å; F99-V120 HydrophobicContact CB-CG1 4.33Å; F99-V120 HydrophobicContact CD2-CG2 4.5Å; F99-R122 CarbonylContact C-O 3.57Å; F99-R122 WeakPolarHBondContact CA-O 3.16Å; F99-V123 HydrophobicContact CB-CG2 4.32Å; F99-A129 HydrophobicContact CB-CB 3.92Å; F99-A129 HydrophobicContact CD1-CB 3.83Å; F99-A129 HydrophobicContact CG-CB 4.27Å; F99-L134 HydrophobicContact CB-CD2 3.83Å; F99-L134 HydrophobicContact CD1-CD2 4.01Å; F99-L134 HydrophobicContact CD2-CD2 3.92Å; F99-L134 HydrophobicContact CE2-CD2 4.49Å; F99-L134 HydrophobicContact CG-CD2 3.64Å; F99-I160 HydrophobicContact CE2-CD1 4.35Å; F99-I160 HydrophobicContact CZ-CD1 4.25Å; F99-I160 HydrophobicContact CZ-CG2 4.31Å; F99-L167 HydrophobicContact CE1-CD2 4Å; F99-L167 HydrophobicContact CZ-CD2 3.9Å; F99-L169 HydrophobicContact CZ-CD1 4.19Å
100E96.6Very high86.3Confident66 Ų6686.5 Ų86.531%0.30843%0.43SS..EExtended strand (participates in β ladder)trans-124.8145.7176.7-60.2-177.5-123.300110.5V120 C121 R122 H124E100-V120 CarbonylContact O-C 3.59Å; E100-V120 WeakPolarHBondContact O-CA 3.47Å; E100-C121 PolarHBondContact O-N 2.85Å; E100-C121 PolarHBondContact O-SG 3.49Å; E100-C121 VanDerWaalsContact O-SG 3.41Å; E100-R122 HydrophobicContact CB-CB 4.15Å; E100-R122 HydrophobicContact CG-CB 4.38Å; E100-R122 PolarHBondContact N-O 3.13Å; E100-R122 PolarHBondContact O-N 3.29Å; E100-R122 IonicContact OE1-CZ 3.9Å; E100-R122 IonicContact OE1-NE 2.63Å; E100-R122 PolarHBondContact OE1-NE 2.81Å; E100-R122 IonicContact OE1-NH2 3.3Å; E100-R122 IonicContact OE2-CZ 3.37Å; E100-R122 VanDerWaalsContact OE2-CZ 3.3Å; E100-R122 IonicContact OE2-NE 3.58Å; E100-R122 PolarHBondContact OE2-NE 3.32Å; E100-R122 IonicContact OE2-NH2 3.92Å; E100-R122 PolarHBondContact OE2-NH2 3.25Å; E100-H124 IonicContact OE1-NE2 3.58Å
101I95.1Very high84.5Confident23 Ų2384.9 Ų84.912%0.11843%0.433CS..EExtended strand (participates in β ladder)trans-118.9151-179.355.1161.7000111.4F99 T118 F119 I140 H153 I156 V157 I160F99-I101 HydrophobicContact CD2-CG2 3.84Å; F99-I101 HydrophobicContact CE2-CG2 3.64Å; I101-T118 HydrophobicContact CB-CG2 3.86Å; I101-T118 HydrophobicContact CD1-CG2 3.82Å; I101-T118 HydrophobicContact CG1-CG2 4.39Å; I101-T118 HydrophobicContact CG2-CG2 4.34Å; I101-F119 CarbonylContact C-O 3.55Å; I101-F119 VanDerWaalsContact CA-O 3.22Å; I101-F119 WeakPolarHBondContact CA-O 3.44Å; I101-I140 HydrophobicContact CG2-CD1 3.58Å; I101-H153 PolarHBondContact O-CE1 2.86Å; I101-I156 HydrophobicContact CD1-CG2 3.91Å; I101-V157 HydrophobicContact CD1-CG2 3.86Å; I101-V157 HydrophobicContact CG1-CG2 4.43Å; I101-I160 HydrophobicContact CD1-CD1 4.04Å
102Q92.7Very high82.9Confident60 Ų6090.8 Ų90.828%0.2847%0.467SS..EExtended strand (participates in β ladder)trans-131.1149168.6-81.7175.834.700109.3Y104 T118 F119 C121Q102-Y104 PolarHBondContact OE1-OH 2.82Å; Q102-T118 CarbonylContact O-C 3.58Å; Q102-T118 VanDerWaalsContact O-CA 3.29Å; Q102-T118 WeakPolarHBondContact O-CA 3.05Å; Q102-F119 HydrophobicContact CB-CD1 4.37Å; Q102-F119 HydrophobicContact CB-CE1 3.49Å; Q102-F119 VanDerWaalsContact CB-CE1 3.49Å; Q102-F119 HydrophobicContact CB-CE2 4.26Å; Q102-F119 HydrophobicContact CB-CZ 3.43Å; Q102-F119 VanDerWaalsContact CB-CZ 3.43Å; Q102-F119 HydrophobicContact CG-CZ 4.42Å; Q102-F119 PolarHBondContact N-O 2.62Å; Q102-F119 WeakPolarHBondContact O-CD1 3.25Å; Q102-F119 WeakPolarHBondContact O-CE1 3.3Å; Q102-F119 PolarHBondContact O-N 3.35Å; Q102-C121 HydrophobicContact CB-CB 4.27Å; Q102-C121 HydrophobicContact CG-CB 4.03Å
103T91.5Very high81.7Confident31 Ų3188.2 Ų88.219%0.1946%0.457CS..EExtended strand (participates in β ladder)trans-121.4126.2-178.6-520000108.6M116 C117 T118 H153T103-M116 HydrophobicContact CG2-CB 4.13Å; T103-C117 CarbonylContact C-O 3.53Å; T103-C117 WeakPolarHBondContact CA-O 3.14Å; T103-T118 WeakPolarHBondContact CB-OG1 3.39Å; T103-T118 VanDerWaalsContact CG2-OG1 3.28Å; T103-T118 WeakPolarHBondContact CG2-OG1 3.32Å; T103-T118 PolarHBondContact OG1-OG1 3.3Å; T103-H153 WeakPolarHBondContact OG1-CB 3.5Å; T103-H153 PolarHBondContact OG1-ND1 3.46Å
104Y86.4Confident81.2Confident105 Ų10583.7 Ų83.741%0.41244%0.441SS..EExtended strand (participates in β ladder)trans-123144.8176.9-66.4-52.5000110.8Q102 L106 M116 C117 F119 I177Q102-Y104 PolarHBondContact OE1-OH 2.82Å; Y104-L106 PolarHBondContact O-N 2.77Å; Y104-M116 WeakPolarHBondContact O-CA 3.4Å; Y104-C117 PolarHBondContact N-O 2.74Å; Y104-C117 PolarHBondContact O-N 2.78Å; Y104-F119 HydrophobicContact CD2-CD1 4.05Å; Y104-F119 AromaticContact CD2-CE1 3.16Å; Y104-F119 HydrophobicContact CD2-CE1 3.16Å; Y104-F119 AromaticContact CD2-CZ 3.78Å; Y104-F119 HydrophobicContact CD2-CZ 3.78Å; Y104-F119 HydrophobicContact CE2-CD1 4.3Å; Y104-F119 AromaticContact CE2-CE1 3.1Å; Y104-F119 HydrophobicContact CE2-CE1 3.1Å; Y104-F119 HydrophobicContact CE2-CE2 4.43Å; Y104-F119 AromaticContact CE2-CZ 3.17Å; Y104-F119 HydrophobicContact CE2-CZ 3.17Å; Y104-F119 HydrophobicContact CG-CE1 4.17Å; Y104-F119 AromaticContact CZ-CZ 3.95Å; Y104-I177 HydrophobicContact CD2-CG2 4.11Å; Y104-I177 HydrophobicContact CE2-CG2 4.07Å
105G86.8Confident80.9Confident33 Ų3377.4 Ų77.434%0.3441%0.412SS..EExtended strand (participates in β ladder)trans-79.7103.516600000110.1E115G105-E115 CarbonylContact C-O 3.53Å; G105-E115 WeakPolarHBondContact CA-O 3.27Å
106L76.8Confident80.7Confident39 Ų3977 Ų7720%0.20441%0.411CS..EExtended strand (participates in β ladder)trans-86.7128.2172.9-61.7-176.1000108.8Y104 E115 C117 A180Y104-L106 PolarHBondContact O-N 2.77Å; L106-E115 PolarHBondContact N-O 2.76Å; L106-E115 PolarHBondContact O-N 2.77Å; L106-C117 HydrophobicContact CD1-CB 3.87Å; L106-C117 HydrophobicContact CG-CB 4.23Å; L106-A180 HydrophobicContact CD2-CB 4Å
107H71.1Confident80.5Confident148 Ų14874.6 Ų74.669%0.68539%0.389SS*.EExtended strand (participates in β ladder)trans-79.2125.1174.3-71.364.9000108.5
108H63.3Low80.3Confident109 Ų10974 Ų7451%0.50539%0.386SS..PPolyproline II helixtrans-74.4171.3174.2-157.663.6000111E110 S113H108-E110 PolarHBondContact O-N 3.25Å; H108-E110 VanDerWaalsContact O-N 3.14Å; H108-S113 WeakPolarHBondContact CB-OG 3.12Å; H108-S113 PolarHBondContact N-O 2.89Å
109Q59.3Low80.1Confident189 Ų18974.1 Ų74.188%0.88338%0.384SS*.SBendtrans-62.8-16.4176.4-63.4-174.611.800113
110E56.8Low79.9Confident138 Ų13872.7 Ų72.765%0.64538%0.377SS*.SBendtrans-89.3129.8172.5-68.1-158.142.600111.4H108 N112H108-E110 PolarHBondContact O-N 3.25Å; H108-E110 VanDerWaalsContact O-N 3.14Å; E110-N112 PolarHBondContact O-N 2.75Å
111P56.6Low79.8Confident121 Ų12170.6 Ų70.679%0.78637%0.369SS*.THydrogen-bonded Turntrans-70.710.4-159.724.9-33.8000117.1
112N62.3Low79.8Confident166 Ų16675.4 Ų75.489%0.88839%0.386SS*.THydrogen-bonded Turntrans-142.59.9-177.2-86.4-18.8000115.4E110E110-N112 PolarHBondContact O-N 2.75Å
113S68.4Low80Confident53 Ų5373.9 Ų73.937%0.37138%0.381SS..  trans-113.4113.8177.361.60000111.2H108H108-S113 WeakPolarHBondContact CB-OG 3.12Å; H108-S113 PolarHBondContact N-O 2.89Å
114V77.9Confident80.2Confident71 Ų7177.1 Ų77.143%0.4339%0.394SS..EExtended strand (participates in β ladder)trans-94.9113.8168.2-178.30000107.7M116V114-M116 HydrophobicContact CG1-CE 4.34Å
115E82.8Confident80.7Confident69 Ų6978.9 Ų78.932%0.32241%0.41SS..EExtended strand (participates in β ladder)trans-94.7128.5175-166.5-168.9146.600109.1G105 L106 C117 E149G105-E115 CarbonylContact C-O 3.53Å; G105-E115 WeakPolarHBondContact CA-O 3.27Å; L106-E115 PolarHBondContact N-O 2.76Å; L106-E115 PolarHBondContact O-N 2.77Å; E115-C117 PolarHBondContact O-N 2.87Å; E115-E149 HydrophobicContact CG-CG 4.41Å; E115-E149 WeakPolarHBondContact OE1-CG 3.45Å
116M87.7Confident81Confident65 Ų6580.2 Ų80.232%0.3242%0.424SS..EExtended strand (participates in β ladder)trans-81.2116.5175.6-63.1-63.7174.200109.5T103 Y104 V114 G150T103-M116 HydrophobicContact CG2-CB 4.13Å; Y104-M116 WeakPolarHBondContact O-CA 3.4Å; V114-M116 HydrophobicContact CG1-CE 4.34Å; M116-G150 PolarHBondContact O-N 3Å
117C88.7Confident82Confident20 Ų2078.8 Ų78.814%0.13542%0.418CS..EExtended strand (participates in β ladder)trans-113.6132.5176.5-600000110.2T103 Y104 L106 E115T103-C117 CarbonylContact C-O 3.53Å; T103-C117 WeakPolarHBondContact CA-O 3.14Å; Y104-C117 PolarHBondContact N-O 2.74Å; Y104-C117 PolarHBondContact O-N 2.78Å; L106-C117 HydrophobicContact CD1-CB 3.87Å; L106-C117 HydrophobicContact CG-CB 4.23Å; E115-C117 PolarHBondContact O-N 2.87Å
118T91.9Very high83.2Confident4 Ų472.6 Ų72.63%0.02539%0.39CS..EExtended strand (participates in β ladder)trans-110.7134.9179-62.40000110.7I101 Q102 T103 T139 I140 I156I101-T118 HydrophobicContact CB-CG2 3.86Å; I101-T118 HydrophobicContact CD1-CG2 3.82Å; I101-T118 HydrophobicContact CG1-CG2 4.39Å; I101-T118 HydrophobicContact CG2-CG2 4.34Å; Q102-T118 CarbonylContact O-C 3.58Å; Q102-T118 VanDerWaalsContact O-CA 3.29Å; Q102-T118 WeakPolarHBondContact O-CA 3.05Å; T103-T118 WeakPolarHBondContact CB-OG1 3.39Å; T103-T118 VanDerWaalsContact CG2-OG1 3.28Å; T103-T118 WeakPolarHBondContact CG2-OG1 3.32Å; T103-T118 PolarHBondContact OG1-OG1 3.3Å; T118-T139 CarbonylContact O-C 3.55Å; T118-T139 WeakPolarHBondContact O-CG2 3.37Å; T118-I140 HydrophobicContact CG2-CD1 4.31Å; T118-I140 PolarHBondContact O-N 3.39Å; T118-I156 HydrophobicContact CG2-CD1 4.13Å; T118-I156 HydrophobicContact CG2-CG2 4.38Å; T118-I156 WeakPolarHBondContact OG1-CD1 3.41Å
119F91.8Very high84.7Confident17 Ų1767.4 Ų67.48%0.07537%0.366CS..EExtended strand (participates in β ladder)trans-138.6159.3-17868.2-76.9000111.6I101 Q102 Y104 C121 D138 I177I101-F119 CarbonylContact C-O 3.55Å; I101-F119 VanDerWaalsContact CA-O 3.22Å; I101-F119 WeakPolarHBondContact CA-O 3.44Å; Q102-F119 HydrophobicContact CB-CD1 4.37Å; Q102-F119 HydrophobicContact CB-CE1 3.49Å; Q102-F119 VanDerWaalsContact CB-CE1 3.49Å; Q102-F119 HydrophobicContact CB-CE2 4.26Å; Q102-F119 HydrophobicContact CB-CZ 3.43Å; Q102-F119 VanDerWaalsContact CB-CZ 3.43Å; Q102-F119 HydrophobicContact CG-CZ 4.42Å; Q102-F119 PolarHBondContact N-O 2.62Å; Q102-F119 WeakPolarHBondContact O-CD1 3.25Å; Q102-F119 WeakPolarHBondContact O-CE1 3.3Å; Q102-F119 PolarHBondContact O-N 3.35Å; Y104-F119 HydrophobicContact CD2-CD1 4.05Å; Y104-F119 AromaticContact CD2-CE1 3.16Å; Y104-F119 HydrophobicContact CD2-CE1 3.16Å; Y104-F119 AromaticContact CD2-CZ 3.78Å; Y104-F119 HydrophobicContact CD2-CZ 3.78Å; Y104-F119 HydrophobicContact CE2-CD1 4.3Å; Y104-F119 AromaticContact CE2-CE1 3.1Å; Y104-F119 HydrophobicContact CE2-CE1 3.1Å; Y104-F119 HydrophobicContact CE2-CE2 4.43Å; Y104-F119 AromaticContact CE2-CZ 3.17Å; Y104-F119 HydrophobicContact CE2-CZ 3.17Å; Y104-F119 HydrophobicContact CG-CE1 4.17Å; Y104-F119 AromaticContact CZ-CZ 3.95Å; F119-C121 HydrophobicContact CD2-CB 4.38Å; F119-C121 HydrophobicContact CE2-CB 3.75Å; F119-C121 HydrophobicContact CZ-CB 4.33Å; F119-C121 PolarHBondContact O-N 2.9Å; F119-D138 CarbonylContact C-O 3.46Å; F119-D138 WeakPolarHBondContact CA-O 3.19Å; F119-D138 WeakPolarHBondContact CB-O 3.22Å; F119-I177 HydrophobicContact CB-CD1 3.45Å; F119-I177 VanDerWaalsContact CB-CD1 3.45Å; F119-I177 HydrophobicContact CD1-CD1 3.83Å; F119-I177 HydrophobicContact CD1-CG1 4.14Å; F119-I177 HydrophobicContact CD1-CG2 4.38Å; F119-I177 HydrophobicContact CD2-CD1 4.22Å; F119-I177 HydrophobicContact CE1-CG2 4.21Å; F119-I177 HydrophobicContact CE2-CG2 4.32Å; F119-I177 HydrophobicContact CG-CD1 3.54Å; F119-I177 HydrophobicContact CG-CG1 4.29Å; F119-I177 HydrophobicContact CZ-CG2 4.16Å
120V94.1Very high86.5Confident0 Ų062.2 Ų62.20%034%0.342CS..EExtended strand (participates in β ladder)trans-78.9111.8176.5-177.50000108.9F99 E100 R122 V123 L134 G137 D138 I140F99-V120 HydrophobicContact CB-CG1 4.33Å; F99-V120 HydrophobicContact CD2-CG2 4.5Å; E100-V120 CarbonylContact O-C 3.59Å; E100-V120 WeakPolarHBondContact O-CA 3.47Å; V120-R122 WeakPolarHBondContact CG1-O 3.46Å; V120-V123 HydrophobicContact CG1-CG2 3.5Å; V120-V123 VanDerWaalsContact CG1-CG2 3.5Å; V120-L134 HydrophobicContact CG1-CD2 4.14Å; V120-L134 HydrophobicContact CG1-CG 4.35Å; V120-L134 HydrophobicContact CG2-CD1 4.01Å; V120-L134 HydrophobicContact CG2-CD2 3.86Å; V120-L134 HydrophobicContact CG2-CG 3.99Å; V120-G137 PolarHBondContact O-N 2.91Å; V120-D138 HydrophobicContact CB-CB 4.47Å; V120-D138 HydrophobicContact CG2-CB 4.19Å; V120-D138 PolarHBondContact N-O 3.03Å; V120-I140 HydrophobicContact CG2-CD1 4.41Å; V120-I140 HydrophobicContact CG2-CG1 4.38Å
121C93.1Very high88.3Confident21 Ų2162.5 Ų62.514%0.14235%0.347CS..EExtended strand (participates in β ladder)trans-91.6-26.3-178.668.40000112.4E100 Q102 F119 V136E100-C121 PolarHBondContact O-N 2.85Å; E100-C121 PolarHBondContact O-SG 3.49Å; E100-C121 VanDerWaalsContact O-SG 3.41Å; Q102-C121 HydrophobicContact CB-CB 4.27Å; Q102-C121 HydrophobicContact CG-CB 4.03Å; F119-C121 HydrophobicContact CD2-CB 4.38Å; F119-C121 HydrophobicContact CE2-CB 3.75Å; F119-C121 HydrophobicContact CZ-CB 4.33Å; F119-C121 PolarHBondContact O-N 2.9Å; C121-V136 WeakPolarHBondContact O-CG1 3.48Å
122R95.3Very high90.2Very high124 Ų12458.2 Ų58.247%0.46832%0.322SS..EExtended strand (participates in β ladder)trans-147.4147.7176.7-68.1-173.7-80.5-92.52.8111F99 E100 V120F99-R122 CarbonylContact C-O 3.57Å; F99-R122 WeakPolarHBondContact CA-O 3.16Å; E100-R122 HydrophobicContact CB-CB 4.15Å; E100-R122 HydrophobicContact CG-CB 4.38Å; E100-R122 PolarHBondContact N-O 3.13Å; E100-R122 PolarHBondContact O-N 3.29Å; E100-R122 IonicContact OE1-CZ 3.9Å; E100-R122 IonicContact OE1-NE 2.63Å; E100-R122 PolarHBondContact OE1-NE 2.81Å; E100-R122 IonicContact OE1-NH2 3.3Å; E100-R122 IonicContact OE2-CZ 3.37Å; E100-R122 VanDerWaalsContact OE2-CZ 3.3Å; E100-R122 IonicContact OE2-NE 3.58Å; E100-R122 PolarHBondContact OE2-NE 3.32Å; E100-R122 IonicContact OE2-NH2 3.92Å; E100-R122 PolarHBondContact OE2-NH2 3.25Å; V120-R122 WeakPolarHBondContact CG1-O 3.46Å
123V96.6Very high91.6Very high28 Ų2851.4 Ų51.417%0.1729%0.291CS..EExtended strand (participates in β ladder)trans-132.2129.3170.3-178.50000106.8F99 V120 A129 Q130 L134 V136F99-V123 HydrophobicContact CB-CG2 4.32Å; V120-V123 HydrophobicContact CG1-CG2 3.5Å; V120-V123 VanDerWaalsContact CG1-CG2 3.5Å; V123-A129 HydrophobicContact CG1-CB 4.08Å; V123-Q130 HydrophobicContact CG1-CB 3.91Å; V123-L134 HydrophobicContact CG2-CG 4.49Å; V123-V136 HydrophobicContact CB-CG2 4.41Å; V123-V136 HydrophobicContact CG2-CG2 4.12Å
124H97Very high92.9Very high100 Ų10049.1 Ų49.146%0.46328%0.275SS..  trans-80.9143.1-179.7-68.7-72.6000111.3G98 E100 S127G98-H124 PolarHBondContact O-CD2 2.86Å; G98-H124 PolarHBondContact O-N 2.67Å; E100-H124 IonicContact OE1-NE2 3.58Å; H124-S127 VanDerWaalsContact O-CB 3.27Å; H124-S127 WeakPolarHBondContact O-CB 3.49Å; H124-S127 PolarHBondContact O-N 3.17Å; H124-S127 PolarHBondContact O-OG 3.42Å
125D95.8Very high93.6Very high141 Ų14151.9 Ų51.975%0.75428%0.281SS*.THydrogen-bonded Turntrans-68.1139.2175.9-66.7-43.5000111.6S127 Q130D125-S127 PolarHBondContact O-N 2.97Å; D125-Q130 VanDerWaalsContact CA-OE1 3.28Å; D125-Q130 PolarHBondContact OD1-NE2 2.76Å
126G94.3Very high94Very high62 Ų6252.6 Ų52.664%0.63929%0.29SS*.THydrogen-bonded Turntrans71.36.3-175.800000114.8
127S96.4Very high94.1Very high9 Ų950.4 Ų50.46%0.06328%0.284CS..SBendtrans-80.4157.5-179.166.80000113.6G98 H124 D125 A129 Q130 L131G98-S127 PolarHBondContact O-OG 3.31Å; H124-S127 VanDerWaalsContact O-CB 3.27Å; H124-S127 WeakPolarHBondContact O-CB 3.49Å; H124-S127 PolarHBondContact O-N 3.17Å; H124-S127 PolarHBondContact O-OG 3.42Å; D125-S127 PolarHBondContact O-N 2.97Å; S127-A129 PolarHBondContact O-N 2.98Å; S127-Q130 PolarHBondContact O-N 3.44Å; S127-Q130 PolarHBondContact OG-N 3.21Å; S127-L131 WeakPolarHBondContact O-CG 3.32Å; S127-L131 PolarHBondContact O-N 2.99Å
128P96.3Very high94.2Very high17 Ų1749.8 Ų49.811%0.1128%0.279CS..Hα-helixtrans-51.4-37.2170-29.536.4000113.7E90 K91 E95 L131 A132E90-P128 WeakPolarHBondContact O-CB 3.42Å; K91-P128 HydrophobicContact CB-CB 4.43Å; K91-P128 HydrophobicContact CB-CG 4.11Å; E95-P128 HydrophobicContact CG-CG 4.36Å; E95-P128 WeakPolarHBondContact OE1-CG 3.19Å; P128-L131 PolarHBondContact O-N 2.93Å; P128-A132 WeakPolarHBondContact O-CB 3.27Å; P128-A132 PolarHBondContact O-N 2.78Å
129A96.8Very high94.3Very high0 Ų050.6 Ų50.60%028%0.284CS..Hα-helixtrans-64.2-42.5176.400000113.1L89 F97 F99 V123 S127 A132 G133 L134L89-A129 HydrophobicContact CD2-CB 3.63Å; F97-A129 WeakPolarHBondContact O-CB 3.39Å; F97-A129 PolarHBondContact O-N 3.37Å; F99-A129 HydrophobicContact CB-CB 3.92Å; F99-A129 HydrophobicContact CD1-CB 3.83Å; F99-A129 HydrophobicContact CG-CB 4.27Å; V123-A129 HydrophobicContact CG1-CB 4.08Å; S127-A129 PolarHBondContact O-N 2.98Å; A129-A132 PolarHBondContact O-N 2.8Å; A129-G133 PolarHBondContact O-N 3.26Å; A129-L134 HydrophobicContact CB-CB 4.25Å; A129-L134 HydrophobicContact CB-CD2 4.01Å; A129-L134 VanDerWaalsContact O-CB 3.25Å; A129-L134 WeakPolarHBondContact O-CB 3.34Å; A129-L134 PolarHBondContact O-N 2.99Å
130Q95.9Very high94.4Very high80 Ų8050.1 Ų50.137%0.37428%0.282SS..Hα-helixtrans-66.1-42.1176.7-170.4179.84700111.1V123 D125 S127 A132 G133V123-Q130 HydrophobicContact CG1-CB 3.91Å; D125-Q130 VanDerWaalsContact CA-OE1 3.28Å; D125-Q130 PolarHBondContact OD1-NE2 2.76Å; S127-Q130 PolarHBondContact O-N 3.44Å; S127-Q130 PolarHBondContact OG-N 3.21Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; Q130-A132 PolarHBondContact O-N 3.36Å; Q130-G133 WeakPolarHBondContact O-CA 3.47Å; Q130-G133 PolarHBondContact O-N 2.9Å
131L95.4Very high94.3Very high144 Ų14451.2 Ų51.275%0.75429%0.291SS*.Hα-helixtrans-64.8-37.8178.7-65.1175.3000112.3S127 P128 G133S127-L131 WeakPolarHBondContact O-CG 3.32Å; S127-L131 PolarHBondContact O-N 2.99Å; P128-L131 PolarHBondContact O-N 2.93Å; L131-G133 PolarHBondContact O-N 2.81Å
132A95Very high94.4Very high32 Ų3250.5 Ų50.526%0.26429%0.286SS..THydrogen-bonded Turntrans-69.2-10.1171.900000113.2V87 N88 L89 P128 A129 Q130V87-A132 HydrophobicContact CG1-CB 3.67Å; N88-A132 WeakPolarHBondContact O-CB 3.33Å; L89-A132 HydrophobicContact CG-CB 4.02Å; P128-A132 WeakPolarHBondContact O-CB 3.27Å; P128-A132 PolarHBondContact O-N 2.78Å; A129-A132 PolarHBondContact O-N 2.8Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; Q130-A132 PolarHBondContact O-N 3.36Å
133G93Very high94.4Very high22 Ų2244.6 Ų44.623%0.22726%0.264CS..THydrogen-bonded Turntrans79.827.2178.200000114K85 A129 Q130 L131K85-G133 PolarHBondContact NZ-O 3.47Å; A129-G133 PolarHBondContact O-N 3.26Å; Q130-G133 WeakPolarHBondContact O-CA 3.47Å; Q130-G133 PolarHBondContact O-N 2.9Å; L131-G133 PolarHBondContact O-N 2.81Å
134L94.8Very high94.2Very high6 Ų646 Ų463%0.03127%0.271CS..  trans-68.8137.1167.5-16667.9000109.4V87 L89 F99 V120 V123 A129 D138 L169 T171V87-L134 HydrophobicContact CG1-CB 4.35Å; V87-L134 HydrophobicContact CG1-CD1 4.43Å; V87-L134 HydrophobicContact CG2-CD1 4.4Å; L89-L134 HydrophobicContact CD2-CD2 4.49Å; F99-L134 HydrophobicContact CB-CD2 3.83Å; F99-L134 HydrophobicContact CD1-CD2 4.01Å; F99-L134 HydrophobicContact CD2-CD2 3.92Å; F99-L134 HydrophobicContact CE2-CD2 4.49Å; F99-L134 HydrophobicContact CG-CD2 3.64Å; V120-L134 HydrophobicContact CG1-CD2 4.14Å; V120-L134 HydrophobicContact CG1-CG 4.35Å; V120-L134 HydrophobicContact CG2-CD1 4.01Å; V120-L134 HydrophobicContact CG2-CD2 3.86Å; V120-L134 HydrophobicContact CG2-CG 3.99Å; V123-L134 HydrophobicContact CG2-CG 4.49Å; A129-L134 HydrophobicContact CB-CB 4.25Å; A129-L134 HydrophobicContact CB-CD2 4.01Å; A129-L134 VanDerWaalsContact O-CB 3.25Å; A129-L134 WeakPolarHBondContact O-CB 3.34Å; A129-L134 PolarHBondContact O-N 2.99Å; L134-D138 HydrophobicContact CD1-CB 4.39Å; L134-L169 HydrophobicContact CD1-CD1 4.28Å; L134-L169 HydrophobicContact CD2-CD1 4.43Å; L134-T171 HydrophobicContact CD1-CG2 3.89Å
135K92.5Very high93.9Very high129 Ų12949 Ų4956%0.56129%0.285SS*.  trans-122152.7-178.7-65.9-174.3-179.8-178.50111.8G137 D138K135-G137 PolarHBondContact O-N 3.21Å; K135-D138 PolarHBondContact N-OD2 2.88Å; K135-D138 VanDerWaalsContact O-CB 3.3Å; K135-D138 WeakPolarHBondContact O-CB 3.41Å; K135-D138 PolarHBondContact O-N 2.79Å
136V91.9Very high93.8Very high84 Ų8445.1 Ų45.151%0.50927%0.266SS..THydrogen-bonded Turntrans-62.5131.9169.3179.90000109.3C121 V123C121-V136 WeakPolarHBondContact O-CG1 3.48Å; V123-V136 HydrophobicContact CB-CG2 4.41Å; V123-V136 HydrophobicContact CG2-CG2 4.12Å
137G89.3Confident93.8Very high19 Ų1945 Ų4520%0.19626%0.26CS..THydrogen-bonded Turntrans92.3-2.5-174.900000114.7V120 K135 T139V120-G137 PolarHBondContact O-N 2.91Å; K135-G137 PolarHBondContact O-N 3.21Å; G137-T139 PolarHBondContact O-N 3.19Å
138D92.3Very high93.6Very high6 Ų644.9 Ų44.93%0.03226%0.258CS..EExtended strand (participates in β ladder)trans-66.8123.5170.4-78.6-10.9000110F119 V120 L134 K135 T171 Y173F119-D138 CarbonylContact C-O 3.46Å; F119-D138 WeakPolarHBondContact CA-O 3.19Å; F119-D138 WeakPolarHBondContact CB-O 3.22Å; V120-D138 HydrophobicContact CB-CB 4.47Å; V120-D138 HydrophobicContact CG2-CB 4.19Å; V120-D138 PolarHBondContact N-O 3.03Å; L134-D138 HydrophobicContact CD1-CB 4.39Å; K135-D138 PolarHBondContact N-OD2 2.88Å; K135-D138 VanDerWaalsContact O-CB 3.3Å; K135-D138 WeakPolarHBondContact O-CB 3.41Å; K135-D138 PolarHBondContact O-N 2.79Å; D138-T171 HydrophobicContact CB-CG2 4.15Å; D138-Y173 WeakPolarHBondContact OD1-CD2 3.46Å
139T92.1Very high93.1Very high22 Ų2250.6 Ų50.614%0.13528%0.284CS..EExtended strand (participates in β ladder)trans-85.2127.6173.1-55.40000109.1T118 G137 A141 T171 V172 S174T118-T139 CarbonylContact O-C 3.55Å; T118-T139 WeakPolarHBondContact O-CG2 3.37Å; G137-T139 PolarHBondContact O-N 3.19Å; T139-A141 PolarHBondContact O-N 2.82Å; T139-T171 CarbonylContact O-C 3.53Å; T139-T171 WeakPolarHBondContact O-CA 3.26Å; T139-V172 PolarHBondContact N-O 2.86Å; T139-V172 PolarHBondContact O-N 3.44Å; T139-S174 PolarHBondContact OG1-OG 3.1Å
140I93.9Very high92.6Very high7 Ų752.8 Ų52.84%0.03631%0.306CS..EExtended strand (participates in β ladder)trans-82.3116.5179.5-55.2179.5000108.5I101 T118 V120 V143 V148 L169I101-I140 HydrophobicContact CG2-CD1 3.58Å; T118-I140 HydrophobicContact CG2-CD1 4.31Å; T118-I140 PolarHBondContact O-N 3.39Å; V120-I140 HydrophobicContact CG2-CD1 4.41Å; V120-I140 HydrophobicContact CG2-CG1 4.38Å; I140-V143 HydrophobicContact CG2-CG2 3.82Å; I140-V148 HydrophobicContact CB-CG2 4.5Å; I140-V148 HydrophobicContact CG2-CG2 3.92Å; I140-V148 WeakPolarHBondContact O-CG2 3.3Å; I140-L169 HydrophobicContact CG2-CD2 4.35Å
141A92.9Very high92.3Very high23 Ų2352.4 Ų52.419%0.1930%0.303CS..EExtended strand (participates in β ladder)trans-93.9-37.5176.600000111.9T139 V148 E170T139-A141 PolarHBondContact O-N 2.82Å; A141-V148 PolarHBondContact O-N 3.47Å; A141-E170 WeakPolarHBondContact CB-O 3.29Å; A141-E170 PolarHBondContact N-O 3.36Å
142S94.8Very high92.2Very high5 Ų550.3 Ų50.34%0.03529%0.292CS..EExtended strand (participates in β ladder)trans-148.6155.9176.272.10000112.8T146 L169 E170S142-T146 CarbonylContact C-O 3.56Å; S142-T146 WeakPolarHBondContact CA-O 3.45Å; S142-T146 VanDerWaalsContact CB-O 3.27Å; S142-T146 WeakPolarHBondContact CB-O 3.22Å; S142-L169 WeakPolarHBondContact O-CA 3.36Å; S142-E170 PolarHBondContact N-O 2.99Å; S142-E170 PolarHBondContact O-N 3.04Å; S142-E170 WeakPolarHBondContact OG-CB 3.34Å; S142-E170 WeakPolarHBondContact OG-CG 3.28Å; S142-E170 PolarHBondContact OG-OE2 3.24Å
143V96.2Very high92.2Very high0 Ų052.5 Ų52.50%030%0.297CS..EExtended strand (participates in β ladder)trans-129.8120.7177.7179.80000108.2I140 E145 T146 V148 L159 I160 L167 L169I140-V143 HydrophobicContact CG2-CG2 3.82Å; V143-E145 VanDerWaalsContact C-N 3.27Å; V143-E145 PolarHBondContact O-N 3.39Å; V143-T146 PolarHBondContact N-O 2.88Å; V143-T146 WeakPolarHBondContact O-CB 3.32Å; V143-T146 PolarHBondContact O-N 3.41Å; V143-V148 HydrophobicContact CB-CG1 4.23Å; V143-V148 HydrophobicContact CG2-CG1 3.79Å; V143-L159 HydrophobicContact CB-CD2 3.65Å; V143-L159 HydrophobicContact CB-CG 4.08Å; V143-L159 HydrophobicContact CG1-CD2 4.02Å; V143-L159 HydrophobicContact CG1-CG 3.85Å; V143-L159 HydrophobicContact CG2-CD2 4.32Å; V143-I160 HydrophobicContact CG1-CG1 4.04Å; V143-I160 HydrophobicContact CG2-CG1 4.28Å; V143-L167 HydrophobicContact CG1-CD1 3.61Å; V143-L169 HydrophobicContact CB-CD2 4.25Å; V143-L169 HydrophobicContact CG1-CD2 4.14Å; V143-L169 HydrophobicContact CG2-CD2 3.76Å
144N92.3Very high92.3Very high58 Ų5859.6 Ų59.631%0.3132%0.321SS..THydrogen-bonded Turntrans43.152.2-177.5-788.8000112.5T146 C163 R168N144-T146 PolarHBondContact O-N 3.4Å; N144-C163 WeakPolarHBondContact ND2-CB 3.47Å; N144-C163 PolarHBondContact ND2-SG 2.9Å; N144-R168 PolarHBondContact N-O 3.14Å; N144-R168 PolarHBondContact OD1-N 2.92Å
145E90.4Very high92.4Very high162 Ų16262.7 Ų62.776%0.75734%0.338SS*.THydrogen-bonded Turntrans72.7-4.4-179.9-56.4170.2-17300116.2V143 R168V143-E145 VanDerWaalsContact C-N 3.27Å; V143-E145 PolarHBondContact O-N 3.39Å; E145-R168 VanDerWaalsContact CG-NH1 3.26Å; E145-R168 IonicContact OE1-NH1 2.74Å
146T94.2Very high92.5Very high60 Ų6056.6 Ų56.637%0.36831%0.311SS..EExtended strand (participates in β ladder)trans-91.5118.1175-52.90000109.8S142 V143 N144 V148 F151 L159S142-T146 CarbonylContact C-O 3.56Å; S142-T146 WeakPolarHBondContact CA-O 3.45Å; S142-T146 VanDerWaalsContact CB-O 3.27Å; S142-T146 WeakPolarHBondContact CB-O 3.22Å; V143-T146 PolarHBondContact N-O 2.88Å; V143-T146 WeakPolarHBondContact O-CB 3.32Å; V143-T146 PolarHBondContact O-N 3.41Å; N144-T146 PolarHBondContact O-N 3.4Å; T146-V148 PolarHBondContact O-N 3.33Å; T146-F151 HydrophobicContact CG2-CE2 4.49Å; T146-F151 HydrophobicContact CG2-CZ 4.19Å; T146-L159 HydrophobicContact CG2-CD2 4.18Å
147A93.3Very high92.7Very high61 Ų6153.9 Ų53.950%0.50430%0.295SS..EExtended strand (participates in β ladder)trans-65.4131172.500000109.9F151A147-F151 WeakPolarHBondContact O-CE1 3.38Å
148V92.1Very high93Very high5 Ų559.3 Ų59.33%0.0332%0.316CS..  trans-10516.5-175.3-64.90000113I140 A141 V143 T146 G150 F151 I156 L159I140-V148 HydrophobicContact CB-CG2 4.5Å; I140-V148 HydrophobicContact CG2-CG2 3.92Å; I140-V148 WeakPolarHBondContact O-CG2 3.3Å; A141-V148 PolarHBondContact O-N 3.47Å; V143-V148 HydrophobicContact CB-CG1 4.23Å; V143-V148 HydrophobicContact CG2-CG1 3.79Å; T146-V148 PolarHBondContact O-N 3.33Å; V148-G150 PolarHBondContact O-N 3.41Å; V148-F151 HydrophobicContact CB-CB 4.38Å; V148-F151 HydrophobicContact CB-CG 4.35Å; V148-F151 WeakPolarHBondContact O-CB 3.35Å; V148-F151 PolarHBondContact O-N 3.36Å; V148-F151 VanDerWaalsContact O-N 3.15Å; V148-I156 HydrophobicContact CB-CD1 4.16Å; V148-I156 HydrophobicContact CB-CG1 4.08Å; V148-I156 HydrophobicContact CG1-CG1 4.23Å; V148-L159 HydrophobicContact CG1-CD2 3.89Å
149E87.1Confident93.1Very high138 Ų13860.7 Ų60.765%0.64532%0.323SS*.THydrogen-bonded Turntrans-60.7122.6176.7-166.1178.4153.200110.1E115 F151E115-E149 HydrophobicContact CG-CG 4.41Å; E115-E149 WeakPolarHBondContact OE1-CG 3.45Å; E149-F151 VanDerWaalsContact C-N 3.25Å; E149-F151 PolarHBondContact O-N 2.85Å
150G84.5Confident93.3Very high45 Ų4560.5 Ų60.546%0.46432%0.321SS..THydrogen-bonded Turntrans77.4-0-178.800000115.7M116 V148M116-G150 PolarHBondContact O-N 3Å; V148-G150 PolarHBondContact O-N 3.41Å
151F91.5Very high93.3Very high72 Ų7269.5 Ų69.532%0.31635%0.354SS..  trans-70.5146.1177.3-80.147.6000110.8T146 A147 V148 E149 D155 I156T146-F151 HydrophobicContact CG2-CE2 4.49Å; T146-F151 HydrophobicContact CG2-CZ 4.19Å; A147-F151 WeakPolarHBondContact O-CE1 3.38Å; V148-F151 HydrophobicContact CB-CB 4.38Å; V148-F151 HydrophobicContact CB-CG 4.35Å; V148-F151 WeakPolarHBondContact O-CB 3.35Å; V148-F151 PolarHBondContact O-N 3.36Å; V148-F151 VanDerWaalsContact O-N 3.15Å; E149-F151 VanDerWaalsContact C-N 3.25Å; E149-F151 PolarHBondContact O-N 2.85Å; F151-D155 HydrophobicContact CD2-CB 3.96Å; F151-I156 HydrophobicContact CB-CD1 3.85Å; F151-I156 HydrophobicContact CB-CG1 3.57Å; F151-I156 HydrophobicContact CG-CG1 4.45Å
152L93.2Very high93.3Very high101 Ų10172.7 Ų72.753%0.52938%0.375SS..  trans-73.3155.7172.1-60.3177.4000110.1K154 D155 I156L152-K154 PolarHBondContact O-N 3.34Å; L152-K154 VanDerWaalsContact O-N 3.15Å; L152-D155 WeakPolarHBondContact CB-OD2 2.91Å; L152-D155 PolarHBondContact N-OD2 2.93Å; L152-D155 PolarHBondContact O-N 3.5Å; L152-I156 PolarHBondContact O-N 3.27Å
153H94.2Very high93.1Very high78 Ų7873.3 Ų73.336%0.36138%0.379SS..Hα-helixtrans-50.5-43.3178.2-176.174000112.9I101 T103 D155 I156 V157I101-H153 PolarHBondContact O-CE1 2.86Å; T103-H153 WeakPolarHBondContact OG1-CB 3.5Å; T103-H153 PolarHBondContact OG1-ND1 3.46Å; H153-D155 PolarHBondContact O-N 2.92Å; H153-I156 PolarHBondContact O-N 2.89Å; H153-V157 VanDerWaalsContact O-CG2 3.28Å; H153-V157 WeakPolarHBondContact O-CG2 3.49Å; H153-V157 PolarHBondContact O-N 3.48Å
154K95.4Very high92.9Very high170 Ų17075 Ų7574%0.73940%0.397SS*.Hα-helixtrans-62.1-42.5-179.1-67.4-176.3179.1179.30112.1L152 V157 Q158L152-K154 PolarHBondContact O-N 3.34Å; L152-K154 VanDerWaalsContact O-N 3.15Å; K154-V157 PolarHBondContact O-N 3.34Å; K154-Q158 WeakPolarHBondContact O-CB 3.43Å; K154-Q158 PolarHBondContact O-N 3.36Å
155D95.5Very high93.1Very high72 Ų7275 Ų7539%0.38540%0.397SS..Hα-helixtrans-67.2-40.8-176.8-53.5-30.5000110.5F151 L152 H153 Q158 L159F151-D155 HydrophobicContact CD2-CB 3.96Å; L152-D155 WeakPolarHBondContact CB-OD2 2.91Å; L152-D155 PolarHBondContact N-OD2 2.93Å; L152-D155 PolarHBondContact O-N 3.5Å; H153-D155 PolarHBondContact O-N 2.92Å; D155-Q158 PolarHBondContact O-N 2.85Å; D155-L159 WeakPolarHBondContact O-CB 3.33Å; D155-L159 PolarHBondContact O-N 3.03Å
156I95.9Very high93.3Very high0 Ų071.4 Ų71.40%039%0.386CS..Hα-helixtrans-66.5-43.6177.2-59.3170.2000110.7I101 T118 V148 F151 L152 H153 Q158 L159 I160I101-I156 HydrophobicContact CD1-CG2 3.91Å; T118-I156 HydrophobicContact CG2-CD1 4.13Å; T118-I156 HydrophobicContact CG2-CG2 4.38Å; T118-I156 WeakPolarHBondContact OG1-CD1 3.41Å; V148-I156 HydrophobicContact CB-CD1 4.16Å; V148-I156 HydrophobicContact CB-CG1 4.08Å; V148-I156 HydrophobicContact CG1-CG1 4.23Å; F151-I156 HydrophobicContact CB-CD1 3.85Å; F151-I156 HydrophobicContact CB-CG1 3.57Å; F151-I156 HydrophobicContact CG-CG1 4.45Å; L152-I156 PolarHBondContact O-N 3.27Å; H153-I156 PolarHBondContact O-N 2.89Å; I156-Q158 VanDerWaalsContact C-N 3.3Å; I156-Q158 PolarHBondContact O-N 2.8Å; I156-L159 PolarHBondContact O-N 2.67Å; I156-I160 HydrophobicContact CG2-CD1 3.96Å; I156-I160 VanDerWaalsContact O-CG1 3.32Å; I156-I160 WeakPolarHBondContact O-CG1 3.45Å; I156-I160 PolarHBondContact O-N 3.06Å
157V95.6Very high93.4Very high28 Ų2868.7 Ų68.717%0.1737%0.369CS..Hα-helixtrans-60.9-42.3175.6170.90000110.8I101 H153 K154 I160 R161I101-V157 HydrophobicContact CD1-CG2 3.86Å; I101-V157 HydrophobicContact CG1-CG2 4.43Å; H153-V157 VanDerWaalsContact O-CG2 3.28Å; H153-V157 WeakPolarHBondContact O-CG2 3.49Å; H153-V157 PolarHBondContact O-N 3.48Å; K154-V157 PolarHBondContact O-N 3.34Å; V157-I160 PolarHBondContact O-N 3.48Å; V157-R161 VanDerWaalsContact CG1-CZ 3.49Å; V157-R161 WeakPolarHBondContact O-CB 3.39Å; V157-R161 VanDerWaalsContact O-CG 3.26Å; V157-R161 WeakPolarHBondContact O-CG 3.28Å; V157-R161 PolarHBondContact O-N 2.76Å
158Q95.6Very high93.6Very high133 Ų13369.2 Ų69.262%0.62136%0.358SS*.Hα-helixtrans-65.1-42.6177.2-177.4173.1-12.900111.5K154 D155 I156 R161 S162K154-Q158 WeakPolarHBondContact O-CB 3.43Å; K154-Q158 PolarHBondContact O-N 3.36Å; D155-Q158 PolarHBondContact O-N 2.85Å; I156-Q158 VanDerWaalsContact C-N 3.3Å; I156-Q158 PolarHBondContact O-N 2.8Å; Q158-R161 PolarHBondContact O-N 2.77Å; Q158-S162 WeakPolarHBondContact O-CB 3.44Å; Q158-S162 PolarHBondContact O-N 3.49Å
159L95.6Very high93.8Very high35 Ų3569 Ų6918%0.18336%0.357CS..Hα-helixtrans-59.2-50.2176.8-173.361.1000110.6V143 T146 V148 D155 I156 R161 S162 C163V143-L159 HydrophobicContact CB-CD2 3.65Å; V143-L159 HydrophobicContact CB-CG 4.08Å; V143-L159 HydrophobicContact CG1-CD2 4.02Å; V143-L159 HydrophobicContact CG1-CG 3.85Å; V143-L159 HydrophobicContact CG2-CD2 4.32Å; T146-L159 HydrophobicContact CG2-CD2 4.18Å; V148-L159 HydrophobicContact CG1-CD2 3.89Å; D155-L159 WeakPolarHBondContact O-CB 3.33Å; D155-L159 PolarHBondContact O-N 3.03Å; I156-L159 PolarHBondContact O-N 2.67Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 3.46Å; L159-S162 PolarHBondContact O-N 3.32Å; L159-S162 VanDerWaalsContact O-N 3.1Å; L159-S162 PolarHBondContact O-OG 2.85Å; L159-C163 PolarHBondContact O-N 2.84Å; L159-C163 PolarHBondContact O-SG 3.28Å
160I95.1Very high94.2Very high17 Ų1764.4 Ų64.49%0.08734%0.335CS..Hα-helixtrans-57.5-43.4176.1-68.8166.6000111.5F99 I101 V143 I156 V157 S162 C163 L167F99-I160 HydrophobicContact CE2-CD1 4.35Å; F99-I160 HydrophobicContact CZ-CD1 4.25Å; F99-I160 HydrophobicContact CZ-CG2 4.31Å; I101-I160 HydrophobicContact CD1-CD1 4.04Å; V143-I160 HydrophobicContact CG1-CG1 4.04Å; V143-I160 HydrophobicContact CG2-CG1 4.28Å; I156-I160 HydrophobicContact CG2-CD1 3.96Å; I156-I160 VanDerWaalsContact O-CG1 3.32Å; I156-I160 WeakPolarHBondContact O-CG1 3.45Å; I156-I160 PolarHBondContact O-N 3.06Å; V157-I160 PolarHBondContact O-N 3.48Å; I160-S162 VanDerWaalsContact C-N 3.32Å; I160-S162 PolarHBondContact O-N 2.63Å; I160-C163 WeakPolarHBondContact O-CB 3.22Å; I160-C163 PolarHBondContact O-N 3.24Å; I160-L167 HydrophobicContact CB-CD1 4.48Å; I160-L167 HydrophobicContact CG1-CD1 4.32Å; I160-L167 HydrophobicContact CG2-CD1 4.31Å; I160-L167 HydrophobicContact CG2-CD2 3.85Å
161R93Very high94.6Very high197 Ų19762.2 Ų62.274%0.74331%0.313SS*.Hα-helixtrans-66.3-34.1178.4-74.2174-177.7173.82.2112.7V157 Q158 L159 C163 G164V157-R161 VanDerWaalsContact CG1-CZ 3.49Å; V157-R161 WeakPolarHBondContact O-CB 3.39Å; V157-R161 VanDerWaalsContact O-CG 3.26Å; V157-R161 WeakPolarHBondContact O-CG 3.28Å; V157-R161 PolarHBondContact O-N 2.76Å; Q158-R161 PolarHBondContact O-N 2.77Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 3.46Å; R161-C163 PolarHBondContact O-N 3.44Å; R161-G164 PolarHBondContact O-N 2.93Å
162S93.6Very high94.6Very high89 Ų8959.8 Ų59.862%0.62230%0.304SS*.Hα-helixtrans-70.4-18.3179.975.30000113.5Q158 L159 I160 G164Q158-S162 WeakPolarHBondContact O-CB 3.44Å; Q158-S162 PolarHBondContact O-N 3.49Å; L159-S162 PolarHBondContact O-N 3.32Å; L159-S162 VanDerWaalsContact O-N 3.1Å; L159-S162 PolarHBondContact O-OG 2.85Å; I160-S162 VanDerWaalsContact C-N 3.32Å; I160-S162 PolarHBondContact O-N 2.63Å; S162-G164 PolarHBondContact O-N 3.4Å
163C91.5Very high94.1Very high18 Ų1861.4 Ų61.412%0.12230%0.304CS..THydrogen-bonded Turntrans-72-10.2179.8-58.30000113.7N144 L159 I160 R161 N165 T166 L167N144-C163 WeakPolarHBondContact ND2-CB 3.47Å; N144-C163 PolarHBondContact ND2-SG 2.9Å; L159-C163 PolarHBondContact O-N 2.84Å; L159-C163 PolarHBondContact O-SG 3.28Å; I160-C163 WeakPolarHBondContact O-CB 3.22Å; I160-C163 PolarHBondContact O-N 3.24Å; R161-C163 PolarHBondContact O-N 3.44Å; C163-N165 PolarHBondContact O-N 3.47Å; C163-T166 WeakPolarHBondContact CB-O 3.42Å; C163-T166 VanDerWaalsContact O-O 3.11Å; C163-L167 HydrophobicContact CB-CD1 3.81Å; C163-L167 VanDerWaalsContact SG-CD1 3.55Å
164G92.1Very high93.2Very high37 Ų3759.1 Ų59.138%0.38130%0.297SS..THydrogen-bonded Turntrans66.9-120.1-179.800000112.2K91 F97 R161 S162K91-G164 WeakPolarHBondContact CE-O 3.33Å; F97-G164 WeakPolarHBondContact CZ-O 3.39Å; R161-G164 PolarHBondContact O-N 2.93Å; S162-G164 PolarHBondContact O-N 3.4Å
165N95.3Very high92.2Very high58 Ų5854.7 Ų54.731%0.3128%0.281SS..THydrogen-bonded Turntrans-95.9-14.1-173.6-67.2-11.4000114E90 K91 E93 C163E90-N165 WeakPolarHBondContact CA-O 3.33Å; K91-N165 HydrophobicContact CG-CB 4.36Å; K91-N165 PolarHBondContact N-O 2.85Å; K91-N165 WeakPolarHBondContact O-CB 3.25Å; E93-N165 WeakPolarHBondContact CG-ND2 3.5Å; C163-N165 PolarHBondContact O-N 3.47Å
166T95.3Very high91.2Very high86 Ų8653.8 Ų53.853%0.52828%0.281SS..EExtended strand (participates in β ladder)trans-122.1121.4-177.552.80000110.2L89 E90 C163L89-T166 WeakPolarHBondContact O-CA 3.33Å; E90-T166 HydrophobicContact CG-CG2 4.49Å; C163-T166 WeakPolarHBondContact CB-O 3.42Å; C163-T166 VanDerWaalsContact O-O 3.11Å
167L96.6Very high90.4Very high2 Ų254.6 Ų54.61%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-130.7117.8-175.8179.471.5000110L89 F97 F99 V143 I160 C163 L169L89-L167 HydrophobicContact CB-CB 4.28Å; L89-L167 HydrophobicContact CD1-CD2 4.19Å; L89-L167 HydrophobicContact CD1-CG 4.36Å; L89-L167 PolarHBondContact N-O 3.41Å; L89-L167 PolarHBondContact O-N 3.06Å; F97-L167 HydrophobicContact CD2-CD2 4.1Å; F97-L167 HydrophobicContact CE1-CB 3.8Å; F97-L167 HydrophobicContact CE2-CB 4.09Å; F97-L167 HydrophobicContact CE2-CD2 4.05Å; F97-L167 HydrophobicContact CG-CD2 4.4Å; F97-L167 HydrophobicContact CZ-CB 3.55Å; F97-L167 HydrophobicContact CZ-CD2 4.29Å; F99-L167 HydrophobicContact CE1-CD2 4Å; F99-L167 HydrophobicContact CZ-CD2 3.9Å; V143-L167 HydrophobicContact CG1-CD1 3.61Å; I160-L167 HydrophobicContact CB-CD1 4.48Å; I160-L167 HydrophobicContact CG1-CD1 4.32Å; I160-L167 HydrophobicContact CG2-CD1 4.31Å; I160-L167 HydrophobicContact CG2-CD2 3.85Å; C163-L167 HydrophobicContact CB-CD1 3.81Å; C163-L167 VanDerWaalsContact SG-CD1 3.55Å; L167-L169 HydrophobicContact CD1-CD2 4.03Å; L167-L169 HydrophobicContact CD2-CD1 4.14Å; L167-L169 HydrophobicContact CD2-CD2 3.99Å; L167-L169 HydrophobicContact CD2-CG 4.04Å; L167-L169 HydrophobicContact CG-CD2 3.87Å; L167-L169 HydrophobicContact CG-CG 3.99Å
168R96.4Very high89.7Confident72 Ų7258.8 Ų58.827%0.27230%0.298SS..EExtended strand (participates in β ladder)trans-100.1110.7173.9177.3170177.4-88.2-18.3108.9V86 N88 N144 E145 E170V86-R168 HydrophobicContact CG1-CG 3.89Å; N88-R168 WeakPolarHBondContact OD1-CG 3.45Å; N144-R168 PolarHBondContact N-O 3.14Å; N144-R168 PolarHBondContact OD1-N 2.92Å; E145-R168 VanDerWaalsContact CG-NH1 3.26Å; E145-R168 IonicContact OE1-NH1 2.74Å; R168-E170 IonicContact CZ-OE1 2.75Å; R168-E170 IonicContact NH1-OE1 3.5Å; R168-E170 IonicContact NH2-OE1 2.75Å; R168-E170 PolarHBondContact NH2-OE1 3.34Å
169L96.3Very high89.1Confident0 Ų058.6 Ų58.60%030%0.295CS..EExtended strand (participates in β ladder)trans-103.8135.8175.2-60.8-178.3000109.9V86 V87 L89 F99 L134 I140 S142 V143 L167 T171V86-L169 CarbonylContact C-O 3.56Å; V86-L169 WeakPolarHBondContact CA-O 3.19Å; V87-L169 HydrophobicContact CB-CB 4.5Å; V87-L169 PolarHBondContact N-O 2.97Å; V87-L169 PolarHBondContact O-N 3.5Å; L89-L169 HydrophobicContact CD1-CB 4.41Å; L89-L169 HydrophobicContact CD1-CD1 3.69Å; L89-L169 HydrophobicContact CD1-CG 3.8Å; F99-L169 HydrophobicContact CZ-CD1 4.19Å; L134-L169 HydrophobicContact CD1-CD1 4.28Å; L134-L169 HydrophobicContact CD2-CD1 4.43Å; I140-L169 HydrophobicContact CG2-CD2 4.35Å; S142-L169 WeakPolarHBondContact O-CA 3.36Å; V143-L169 HydrophobicContact CB-CD2 4.25Å; V143-L169 HydrophobicContact CG1-CD2 4.14Å; V143-L169 HydrophobicContact CG2-CD2 3.76Å; L167-L169 HydrophobicContact CD1-CD2 4.03Å; L167-L169 HydrophobicContact CD2-CD1 4.14Å; L167-L169 HydrophobicContact CD2-CD2 3.99Å; L167-L169 HydrophobicContact CD2-CG 4.04Å; L167-L169 HydrophobicContact CG-CD2 3.87Å; L167-L169 HydrophobicContact CG-CG 3.99Å; L169-T171 HydrophobicContact CB-CG2 4.15Å
170E95.1Very high88.5Confident42 Ų4258.5 Ų58.520%0.19630%0.299CS..EExtended strand (participates in β ladder)trans-101.7117.4160.9-56.2179.9165.400108.1K85 V86 A141 S142 R168K85-E170 CarbonylContact O-C 3.55Å; K85-E170 WeakPolarHBondContact O-CA 3.4Å; V86-E170 HydrophobicContact CG2-CG 4.2Å; A141-E170 WeakPolarHBondContact CB-O 3.29Å; A141-E170 PolarHBondContact N-O 3.36Å; S142-E170 PolarHBondContact N-O 2.99Å; S142-E170 PolarHBondContact O-N 3.04Å; S142-E170 WeakPolarHBondContact OG-CB 3.34Å; S142-E170 WeakPolarHBondContact OG-CG 3.28Å; S142-E170 PolarHBondContact OG-OE2 3.24Å; R168-E170 IonicContact CZ-OE1 2.75Å; R168-E170 IonicContact NH1-OE1 3.5Å; R168-E170 IonicContact NH2-OE1 2.75Å; R168-E170 PolarHBondContact NH2-OE1 3.34Å
171T93.6Very high88Confident0 Ų063.5 Ų63.50%032%0.322CS..EExtended strand (participates in β ladder)trans-114.2151.7-178.365.70000111.8R84 K85 L134 D138 T139 L169R84-T171 CarbonylContact C-O 3.54Å; R84-T171 WeakPolarHBondContact CA-O 3.46Å; K85-T171 PolarHBondContact N-O 2.91Å; K85-T171 PolarHBondContact O-N 3.21Å; L134-T171 HydrophobicContact CD1-CG2 3.89Å; D138-T171 HydrophobicContact CB-CG2 4.15Å; T139-T171 CarbonylContact O-C 3.53Å; T139-T171 WeakPolarHBondContact O-CA 3.26Å; L169-T171 HydrophobicContact CB-CG2 4.15Å
172V90.8Very high87.8Confident21 Ų2159.1 Ų59.113%0.12731%0.313CS..EExtended strand (participates in β ladder)trans-118.1119.7169.7174.40000107.1P82 R84 T139 S174P82-V172 HydrophobicContact CB-CG1 3.4Å; R84-V172 HydrophobicContact CG-CG2 3.62Å; T139-V172 PolarHBondContact N-O 2.86Å; T139-V172 PolarHBondContact O-N 3.44Å; V172-S174 PolarHBondContact O-N 3.32Å
173Y84.5Confident87.5Confident135 Ų13559.3 Ų59.353%0.52930%0.304SS..EExtended strand (participates in β ladder)trans-69.7115.8169.3-172.7-98.9000108.5D138D138-Y173 WeakPolarHBondContact OD1-CD2 3.46Å
174S73.8Confident87.3Confident30 Ų3061.1 Ų61.121%0.2132%0.32CS..  trans-142.3139.5179.867.20000112.5T139 V172 S176T139-S174 PolarHBondContact OG1-OG 3.1Å; V172-S174 PolarHBondContact O-N 3.32Å; S174-S176 PolarHBondContact O-N 2.89Å; S174-S176 PolarHBondContact OG-OG 2.9Å
175D75.8Confident87.3Confident77 Ų7766.8 Ų66.841%0.41233%0.33SS..SBendtrans-84.95.5173.8-75.34.5000112.2I177 R178 K179D175-I177 PolarHBondContact O-N 2.84Å; D175-R178 PolarHBondContact O-N 3.44Å; D175-R178 IonicContact OD1-CZ 3.66Å; D175-R178 IonicContact OD1-NH1 2.67Å; D175-R178 PolarHBondContact OD1-NH1 3.28Å; D175-R178 IonicContact OD1-NH2 3.99Å; D175-R178 PolarHBondContact OD1-NH2 2.89Å; D175-R178 IonicContact OD2-CZ 3.56Å; D175-R178 IonicContact OD2-NH1 3.44Å; D175-R178 PolarHBondContact OD2-NH1 2.85Å; D175-R178 IonicContact OD2-NH2 3.63Å; D175-K179 VanDerWaalsContact O-CB 3.3Å; D175-K179 WeakPolarHBondContact O-CB 3.49Å; D175-K179 PolarHBondContact O-N 2.79Å
176S73.6Confident87.3Confident53 Ų5368.3 Ų68.337%0.37134%0.337SS..Hα-helixtrans-61.4-41.3-172.854.90000112.2S174 K179 A180S174-S176 PolarHBondContact O-N 2.89Å; S174-S176 PolarHBondContact OG-OG 2.9Å; S176-K179 WeakPolarHBondContact O-CB 3.35Å; S176-K179 PolarHBondContact O-N 3.15Å; S176-A180 WeakPolarHBondContact O-CB 3.28Å; S176-A180 PolarHBondContact O-N 3.36Å
177I79.1Confident87.3Confident16 Ų1670.7 Ų70.78%0.08234%0.343CS..Hα-helixtrans-67.1-48178.6-65.5131.8000111Y104 F119 D175 K179 A180 E181Y104-I177 HydrophobicContact CD2-CG2 4.11Å; Y104-I177 HydrophobicContact CE2-CG2 4.07Å; F119-I177 HydrophobicContact CB-CD1 3.45Å; F119-I177 VanDerWaalsContact CB-CD1 3.45Å; F119-I177 HydrophobicContact CD1-CD1 3.83Å; F119-I177 HydrophobicContact CD1-CG1 4.14Å; F119-I177 HydrophobicContact CD1-CG2 4.38Å; F119-I177 HydrophobicContact CD2-CD1 4.22Å; F119-I177 HydrophobicContact CE1-CG2 4.21Å; F119-I177 HydrophobicContact CE2-CG2 4.32Å; F119-I177 HydrophobicContact CG-CD1 3.54Å; F119-I177 HydrophobicContact CG-CG1 4.29Å; F119-I177 HydrophobicContact CZ-CG2 4.16Å; D175-I177 PolarHBondContact O-N 2.84Å; I177-K179 PolarHBondContact O-N 3.32Å; I177-A180 PolarHBondContact O-N 2.76Å; I177-A180 VanDerWaalsContact O-N 3.14Å; I177-E181 PolarHBondContact O-N 3.45Å
178R81.5Confident87.2Confident117 Ų11777.6 Ų77.644%0.44237%0.369SS..Hα-helixtrans-60.6-38.8177.4-161.6-166.3-39.9112.59.5111D175 L182D175-R178 PolarHBondContact O-N 3.44Å; D175-R178 IonicContact OD1-CZ 3.66Å; D175-R178 IonicContact OD1-NH1 2.67Å; D175-R178 PolarHBondContact OD1-NH1 3.28Å; D175-R178 IonicContact OD1-NH2 3.99Å; D175-R178 PolarHBondContact OD1-NH2 2.89Å; D175-R178 IonicContact OD2-CZ 3.56Å; D175-R178 IonicContact OD2-NH1 3.44Å; D175-R178 PolarHBondContact OD2-NH1 2.85Å; D175-R178 IonicContact OD2-NH2 3.63Å; R178-L182 HydrophobicContact CG-CD1 4.35Å; R178-L182 WeakPolarHBondContact O-CB 3.45Å; R178-L182 WeakPolarHBondContact O-CG 2.98Å; R178-L182 PolarHBondContact O-N 3.2Å
179K83.2Confident87.3Confident129 Ų12978.7 Ų78.756%0.56138%0.38SS*.Hα-helixtrans-63.4-47.8174.5-178-179.9170.8-174.10111.1D175 S176 I177 E181 L182 E183D175-K179 VanDerWaalsContact O-CB 3.3Å; D175-K179 WeakPolarHBondContact O-CB 3.49Å; D175-K179 PolarHBondContact O-N 2.79Å; S176-K179 WeakPolarHBondContact O-CB 3.35Å; S176-K179 PolarHBondContact O-N 3.15Å; I177-K179 PolarHBondContact O-N 3.32Å; K179-E181 PolarHBondContact O-N 3.14Å; K179-L182 PolarHBondContact O-N 2.94Å; K179-E183 WeakPolarHBondContact CE-OE1 3.3Å; K179-E183 HydrophobicContact CG-CG 4.48Å; K179-E183 IonicContact NZ-OE1 2.78Å; K179-E183 WeakPolarHBondContact O-CB 3.47Å; K179-E183 WeakPolarHBondContact O-CG 3.48Å; K179-E183 PolarHBondContact O-N 2.95Å
180A82.1Confident87.4Confident33 Ų3384.2 Ų84.227%0.27340%0.404SS..Hα-helixtrans-61-43177.700000112L106 S176 I177 E183 A184L106-A180 HydrophobicContact CD2-CB 4Å; S176-A180 WeakPolarHBondContact O-CB 3.28Å; S176-A180 PolarHBondContact O-N 3.36Å; I177-A180 PolarHBondContact O-N 2.76Å; I177-A180 VanDerWaalsContact O-N 3.14Å; A180-E183 PolarHBondContact O-N 3.43Å; A180-A184 WeakPolarHBondContact O-CB 3.48Å; A180-A184 PolarHBondContact O-N 3.28Å
181E84.4Confident87.5Confident122 Ų12287.7 Ų87.757%0.5742%0.42SS*.Hα-helixtrans-60.1-47175.1-173.3-167.7159.100111.5I177 K179 E183 A184 R185I177-E181 PolarHBondContact O-N 3.45Å; K179-E181 PolarHBondContact O-N 3.14Å; E181-E183 VanDerWaalsContact C-N 3.35Å; E181-E183 PolarHBondContact O-N 3.24Å; E181-A184 PolarHBondContact O-N 3.18Å; E181-R185 WeakPolarHBondContact O-CB 3.36Å; E181-R185 PolarHBondContact O-N 3.01Å
182L88.8Confident87.7Confident105 Ų10589.3 Ų89.355%0.5543%0.43SS..Hα-helixtrans-65.7-37.4178.2-73.8170.4000112.2R178 K179 R185 L186R178-L182 HydrophobicContact CG-CD1 4.35Å; R178-L182 WeakPolarHBondContact O-CB 3.45Å; R178-L182 WeakPolarHBondContact O-CG 2.98Å; R178-L182 PolarHBondContact O-N 3.2Å; K179-L182 PolarHBondContact O-N 2.94Å; L182-R185 PolarHBondContact O-N 3.4Å; L182-L186 VanDerWaalsContact O-CB 3.28Å; L182-L186 WeakPolarHBondContact O-CB 3.47Å; L182-L186 PolarHBondContact O-N 3.26Å
183E87.9Confident88.1Confident93 Ų9393.5 Ų93.544%0.43545%0.451SS..Hα-helixtrans-65.6-44.6175.4-77.8176.5-179.500111.5K179 A180 E181 R185 L186 Q187K179-E183 WeakPolarHBondContact CE-OE1 3.3Å; K179-E183 HydrophobicContact CG-CG 4.48Å; K179-E183 IonicContact NZ-OE1 2.78Å; K179-E183 WeakPolarHBondContact O-CB 3.47Å; K179-E183 WeakPolarHBondContact O-CG 3.48Å; K179-E183 PolarHBondContact O-N 2.95Å; A180-E183 PolarHBondContact O-N 3.43Å; E181-E183 VanDerWaalsContact C-N 3.35Å; E181-E183 PolarHBondContact O-N 3.24Å; E183-R185 VanDerWaalsContact C-N 3.35Å; E183-R185 PolarHBondContact O-N 2.96Å; E183-L186 WeakPolarHBondContact O-CB 3.37Å; E183-L186 PolarHBondContact O-N 3.05Å; E183-Q187 WeakPolarHBondContact O-CG 3.42Å; E183-Q187 PolarHBondContact O-N 3.15Å
184A87.6Confident88.7Confident55 Ų5593 Ų9346%0.45545%0.454SS..Hα-helixtrans-60.4-44.817400000111.4A180 E181 L186 Q187 Y188A180-A184 WeakPolarHBondContact O-CB 3.48Å; A180-A184 PolarHBondContact O-N 3.28Å; E181-A184 PolarHBondContact O-N 3.18Å; A184-L186 VanDerWaalsContact C-N 3.32Å; A184-L186 PolarHBondContact O-N 3.46Å; A184-Q187 PolarHBondContact O-N 3.46Å; A184-Y188 PolarHBondContact O-N 3.46Å
185R91.6Very high89.9Confident157 Ų15795.8 Ų95.859%0.59246%0.463SS*.Hα-helixtrans-63.6-38.2176.3-171.4172.6-176.9156.80.9112.3E181 L182 E183 Y188 L189E181-R185 WeakPolarHBondContact O-CB 3.36Å; E181-R185 PolarHBondContact O-N 3.01Å; L182-R185 PolarHBondContact O-N 3.4Å; E183-R185 VanDerWaalsContact C-N 3.35Å; E183-R185 PolarHBondContact O-N 2.96Å; R185-Y188 PolarHBondContact O-N 3.48Å; R185-L189 HydrophobicContact CG-CD1 4.3Å; R185-L189 WeakPolarHBondContact O-CB 3.49Å; R185-L189 VanDerWaalsContact O-CG 3.3Å; R185-L189 WeakPolarHBondContact O-CG 3.43Å; R185-L189 PolarHBondContact O-N 2.98Å
186L95.4Very high91Very high90 Ų9097.3 Ų97.347%0.47147%0.466SS..Hα-helixtrans-63.4-43.7175.5176.163.6000111.3L182 E183 A184 L189 K190L182-L186 VanDerWaalsContact O-CB 3.28Å; L182-L186 WeakPolarHBondContact O-CB 3.47Å; L182-L186 PolarHBondContact O-N 3.26Å; E183-L186 WeakPolarHBondContact O-CB 3.37Å; E183-L186 PolarHBondContact O-N 3.05Å; A184-L186 VanDerWaalsContact C-N 3.32Å; A184-L186 PolarHBondContact O-N 3.46Å; L186-L189 PolarHBondContact O-N 3.44Å; L186-K190 HydrophobicContact CD1-CG 4.49Å; L186-K190 HydrophobicContact CG-CD 4.47Å; L186-K190 WeakPolarHBondContact O-CG 3.43Å; L186-K190 PolarHBondContact O-N 3.06Å
187Q94.9Very high92.1Very high136 Ų136101.9 Ų101.964%0.63648%0.475SS*.Hα-helixtrans-62.1-46.2176.7-71.2175.43.800111.4E183 A184 L189 K190 Q191E183-Q187 WeakPolarHBondContact O-CG 3.42Å; E183-Q187 PolarHBondContact O-N 3.15Å; A184-Q187 PolarHBondContact O-N 3.46Å; Q187-L189 PolarHBondContact O-N 2.84Å; Q187-K190 WeakPolarHBondContact O-CB 3.45Å; Q187-K190 PolarHBondContact O-N 3.42Å; Q187-Q191 PolarHBondContact O-N 3.25Å
188Y96Very high93Very high147 Ų147106.5 Ų106.558%0.57650%0.5SS*.Hα-helixtrans-56-50.2174.6173.5-100000111.8A184 R185 K190 Q191 T192A184-Y188 PolarHBondContact O-N 3.46Å; R185-Y188 PolarHBondContact O-N 3.48Å; Y188-K190 VanDerWaalsContact C-N 3.31Å; Y188-K190 PolarHBondContact O-N 3.33Å; Y188-Q191 WeakPolarHBondContact O-CB 3.4Å; Y188-Q191 PolarHBondContact O-N 2.92Å; Y188-Q191 VanDerWaalsContact O-N 3.12Å; Y188-T192 PolarHBondContact O-N 3.12Å; Y188-T192 PolarHBondContact O-OG1 3.11Å; Y188-T192 VanDerWaalsContact O-OG1 3.12Å
189L98.2Very high93.8Very high95 Ų95105.6 Ų105.650%0.49750%0.501SS..Hα-helixtrans-62.8-37.4179.6-73173.1000112.5R185 L186 Q187 L193R185-L189 HydrophobicContact CG-CD1 4.3Å; R185-L189 WeakPolarHBondContact O-CB 3.49Å; R185-L189 VanDerWaalsContact O-CG 3.3Å; R185-L189 WeakPolarHBondContact O-CG 3.43Å; R185-L189 PolarHBondContact O-N 2.98Å; L186-L189 PolarHBondContact O-N 3.44Å; Q187-L189 PolarHBondContact O-N 2.84Å; L189-L193 VanDerWaalsContact O-CB 3.28Å; L189-L193 WeakPolarHBondContact O-CB 3.49Å; L189-L193 PolarHBondContact O-N 3.01Å
190K97.3Very high94.5Very high116 Ų116105.8 Ų105.850%0.50450%0.499SS..Hα-helixtrans-61.7-46.2173.3-77.8177.9176.5-178.70110.7L186 Q187 Y188 L193 H194L186-K190 HydrophobicContact CD1-CG 4.49Å; L186-K190 HydrophobicContact CG-CD 4.47Å; L186-K190 WeakPolarHBondContact O-CG 3.43Å; L186-K190 PolarHBondContact O-N 3.06Å; Q187-K190 WeakPolarHBondContact O-CB 3.45Å; Q187-K190 PolarHBondContact O-N 3.42Å; Y188-K190 VanDerWaalsContact C-N 3.31Å; Y188-K190 PolarHBondContact O-N 3.33Å; K190-L193 WeakPolarHBondContact O-CB 3.28Å; K190-L193 PolarHBondContact O-N 2.9Å; K190-H194 PolarHBondContact O-N 2.96Å; K190-H194 VanDerWaalsContact O-N 3.11Å; K190-H194 PolarHBondContact O-ND1 3.23Å
191Q97.9Very high95.2Very high114 Ų114111.9 Ų111.953%0.53352%0.515SS..Hα-helixtrans-60.9-51.3178.1-179.3-179.8-4.700111.3Q187 Y188 L193 H194 E195Q187-Q191 PolarHBondContact O-N 3.25Å; Y188-Q191 WeakPolarHBondContact O-CB 3.4Å; Y188-Q191 PolarHBondContact O-N 2.92Å; Y188-Q191 VanDerWaalsContact O-N 3.12Å; Q191-L193 PolarHBondContact O-N 3.12Å; Q191-H194 PolarHBondContact O-N 3.36Å; Q191-E195 HydrophobicContact CG-CG 4.5Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.42Å; Q191-E195 PolarHBondContact NE2-OE1 2.75Å; Q191-E195 WeakPolarHBondContact O-CG 3.2Å; Q191-E195 PolarHBondContact O-N 3.45Å
192T98.3Very high95.7Very high34 Ų34109.1 Ų109.121%0.20951%0.509CS..Hα-helixtrans-58.4-37.9178.1-54.40000111.8Y188 E195 K196Y188-T192 PolarHBondContact O-N 3.12Å; Y188-T192 PolarHBondContact O-OG1 3.11Å; Y188-T192 VanDerWaalsContact O-OG1 3.12Å; T192-E195 PolarHBondContact O-N 2.73Å; T192-K196 HydrophobicContact CG2-CG 4.31Å; T192-K196 WeakPolarHBondContact O-CB 3.39Å; T192-K196 VanDerWaalsContact O-CG 3.26Å; T192-K196 WeakPolarHBondContact O-CG 3.37Å; T192-K196 PolarHBondContact O-N 2.75Å
193L98.3Very high96Very high109 Ų109109.1 Ų109.157%0.57151%0.509SS*.Hα-helixtrans-61.3-44.2175.5-179.467.2000111.5L189 K190 Q191 K196 W197L189-L193 VanDerWaalsContact O-CB 3.28Å; L189-L193 WeakPolarHBondContact O-CB 3.49Å; L189-L193 PolarHBondContact O-N 3.01Å; K190-L193 WeakPolarHBondContact O-CB 3.28Å; K190-L193 PolarHBondContact O-N 2.9Å; Q191-L193 PolarHBondContact O-N 3.12Å; L193-K196 PolarHBondContact O-N 2.89Å; L193-W197 WeakPolarHBondContact O-CB 3.46Å; L193-W197 PolarHBondContact O-N 2.98Å
194H98Very high96.3Very high126 Ų126106.7 Ų106.758%0.58350%0.499SS*.Hα-helixtrans-64.6-46.5177.9-73.679.4000111.2K190 Q191 K196 W197 D198K190-H194 PolarHBondContact O-N 2.96Å; K190-H194 VanDerWaalsContact O-N 3.11Å; K190-H194 PolarHBondContact O-ND1 3.23Å; Q191-H194 PolarHBondContact O-N 3.36Å; H194-K196 VanDerWaalsContact C-N 3.32Å; H194-K196 PolarHBondContact O-N 3.37Å; H194-W197 WeakPolarHBondContact O-CA 3.46Å; H194-W197 VanDerWaalsContact O-CB 3.29Å; H194-W197 WeakPolarHBondContact O-CB 3.26Å; H194-W197 PolarHBondContact O-N 2.93Å; H194-D198 PolarHBondContact O-N 3.26Å
195E98Very high96.6Very high88 Ų88106.7 Ų106.741%0.41149%0.493SS..Hα-helixtrans-56.7-45.7176.5-69.7168.9-179.100111.5Q191 T192 W197 D198 E199Q191-E195 HydrophobicContact CG-CG 4.5Å; Q191-E195 WeakPolarHBondContact CG-OE1 3.42Å; Q191-E195 PolarHBondContact NE2-OE1 2.75Å; Q191-E195 WeakPolarHBondContact O-CG 3.2Å; Q191-E195 PolarHBondContact O-N 3.45Å; T192-E195 PolarHBondContact O-N 2.73Å; E195-W197 VanDerWaalsContact C-N 3.3Å; E195-W197 PolarHBondContact O-N 3.36Å; E195-D198 PolarHBondContact O-N 3.31Å; E195-E199 WeakPolarHBondContact O-CG 3.3Å; E195-E199 PolarHBondContact O-N 3.34Å
196K98.3Very high96.7Very high108 Ų108103.9 Ų103.947%0.4749%0.486SS..Hα-helixtrans-67.7-30.8176.8-68.5-65.8168.2-145.90113.1T192 L193 H194 E199 Y200T192-K196 HydrophobicContact CG2-CG 4.31Å; T192-K196 WeakPolarHBondContact O-CB 3.39Å; T192-K196 VanDerWaalsContact O-CG 3.26Å; T192-K196 WeakPolarHBondContact O-CG 3.37Å; T192-K196 PolarHBondContact O-N 2.75Å; L193-K196 PolarHBondContact O-N 2.89Å; H194-K196 VanDerWaalsContact C-N 3.32Å; H194-K196 PolarHBondContact O-N 3.37Å; K196-E199 WeakPolarHBondContact CD-OE2 3.29Å; K196-E199 IonicContact NZ-OE1 3.24Å; K196-E199 PolarHBondContact NZ-OE1 2.94Å; K196-E199 IonicContact NZ-OE2 3.55Å; K196-E199 PolarHBondContact NZ-OE2 3.43Å; K196-Y200 WeakPolarHBondContact O-CB 3.37Å; K196-Y200 PolarHBondContact O-N 3.04Å
197W98.2Very high96.4Very high149 Ų149104.8 Ų104.856%0.56449%0.488SS*.Hα-helixtrans-66-41.5173.5-12796.7000111.8L193 H194 E195 Y200 R201L193-W197 WeakPolarHBondContact O-CB 3.46Å; L193-W197 PolarHBondContact O-N 2.98Å; H194-W197 WeakPolarHBondContact O-CA 3.46Å; H194-W197 VanDerWaalsContact O-CB 3.29Å; H194-W197 WeakPolarHBondContact O-CB 3.26Å; H194-W197 PolarHBondContact O-N 2.93Å; E195-W197 VanDerWaalsContact C-N 3.3Å; E195-W197 PolarHBondContact O-N 3.36Å; W197-Y200 PolarHBondContact O-N 3.47Å; W197-R201 WeakPolarHBondContact O-CB 3.4Å; W197-R201 PolarHBondContact O-N 2.99Å
198D97.8Very high96.2Very high113 Ų113103.4 Ų103.460%0.60448%0.482SS*.Hα-helixtrans-67.6-42177.3-69-28.2000111.6H194 E195 Y200 R201 S202H194-D198 PolarHBondContact O-N 3.26Å; E195-D198 PolarHBondContact O-N 3.31Å; D198-Y200 PolarHBondContact O-N 3.45Å; D198-R201 PolarHBondContact O-N 2.96Å; D198-S202 WeakPolarHBondContact O-CB 3.46Å; D198-S202 PolarHBondContact O-N 3.35Å
199E97.8Very high95.8Very high98 Ų98103 Ų10346%0.45848%0.479SS..Hα-helixtrans-56.8-49.2171.2-74.6176.8-151.800111.3E195 K196 R201 S202 L203E195-E199 WeakPolarHBondContact O-CG 3.3Å; E195-E199 PolarHBondContact O-N 3.34Å; K196-E199 WeakPolarHBondContact CD-OE2 3.29Å; K196-E199 IonicContact NZ-OE1 3.24Å; K196-E199 PolarHBondContact NZ-OE1 2.94Å; K196-E199 IonicContact NZ-OE2 3.55Å; K196-E199 PolarHBondContact NZ-OE2 3.43Å; E199-R201 PolarHBondContact O-N 2.96Å; E199-S202 WeakPolarHBondContact O-CB 3.5Å; E199-S202 PolarHBondContact O-N 3.36Å; E199-L203 WeakPolarHBondContact O-CG 3.42Å; E199-L203 PolarHBondContact O-N 3.11Å
200Y97.3Very high95.2Very high134 Ų134103.6 Ų103.653%0.52548%0.482SS..Hα-helixtrans-60-46.2178.2170.1-105.9000111.9K196 W197 D198 S202 L203 M204K196-Y200 WeakPolarHBondContact O-CB 3.37Å; K196-Y200 PolarHBondContact O-N 3.04Å; W197-Y200 PolarHBondContact O-N 3.47Å; D198-Y200 PolarHBondContact O-N 3.45Å; Y200-S202 VanDerWaalsContact C-N 3.29Å; Y200-S202 PolarHBondContact O-N 2.95Å; Y200-L203 PolarHBondContact O-N 3.2Å; Y200-M204 HydrophobicContact CD1-CG 4.36Å; Y200-M204 HydrophobicContact CD2-CG 4.23Å; Y200-M204 HydrophobicContact CE1-CG 3.85Å; Y200-M204 HydrophobicContact CE2-CG 3.69Å; Y200-M204 HydrophobicContact CE2-SD 3.83Å; Y200-M204 VanDerWaalsContact CZ-CG 3.47Å; Y200-M204 WeakPolarHBondContact O-CG 3.49Å; Y200-M204 PolarHBondContact O-N 3.01Å; Y200-M204 PolarHBondContact OH-SD 3.1Å
201R96.4Very high94.8Very high160 Ų160103.2 Ų103.260%0.60449%0.49SS*.Hα-helixtrans-59.8-41.3178.1-17369.5171.71601.2111.4W197 D198 E199 M204 V205W197-R201 WeakPolarHBondContact O-CB 3.4Å; W197-R201 PolarHBondContact O-N 2.99Å; D198-R201 PolarHBondContact O-N 2.96Å; E199-R201 PolarHBondContact O-N 2.96Å; R201-M204 PolarHBondContact O-N 3.34Å; R201-V205 WeakPolarHBondContact O-CG2 3.48Å; R201-V205 PolarHBondContact O-N 2.84Å
202S95.9Very high94Very high64 Ų64104.9 Ų104.945%0.44850%0.497SS..Hα-helixtrans-64.2-47.2176.3-173.80000111.8D198 E199 Y200 M204 V205 Q206D198-S202 WeakPolarHBondContact O-CB 3.46Å; D198-S202 PolarHBondContact O-N 3.35Å; E199-S202 WeakPolarHBondContact O-CB 3.5Å; E199-S202 PolarHBondContact O-N 3.36Å; Y200-S202 VanDerWaalsContact C-N 3.29Å; Y200-S202 PolarHBondContact O-N 2.95Å; S202-M204 VanDerWaalsContact C-N 3.31Å; S202-M204 PolarHBondContact O-N 2.94Å; S202-V205 PolarHBondContact O-N 3.43Å; S202-V205 VanDerWaalsContact O-N 3.15Å; S202-Q206 WeakPolarHBondContact O-CG 3.32Å; S202-Q206 PolarHBondContact O-N 3.45Å
203L96Very high92.7Very high105 Ų105106 Ų10655%0.5552%0.515SS..Hα-helixtrans-60.7-39.9176.2-73.1174.2000112.1E199 Y200 V205 Q206 E207E199-L203 WeakPolarHBondContact O-CG 3.42Å; E199-L203 PolarHBondContact O-N 3.11Å; Y200-L203 PolarHBondContact O-N 3.2Å; L203-V205 VanDerWaalsContact C-N 3.3Å; L203-V205 PolarHBondContact O-N 3.21Å; L203-Q206 PolarHBondContact O-N 3.21Å; L203-E207 WeakPolarHBondContact O-CB 3.39Å; L203-E207 PolarHBondContact O-N 3.27Å
204M94Very high91Very high43 Ų43106 Ų10621%0.21251%0.514CS..Hα-helixtrans-60.8-40.2175.9-78.7-59.8-26.500112.4Y200 R201 S202 E207 Q208Y200-M204 HydrophobicContact CD1-CG 4.36Å; Y200-M204 HydrophobicContact CD2-CG 4.23Å; Y200-M204 HydrophobicContact CE1-CG 3.85Å; Y200-M204 HydrophobicContact CE2-CG 3.69Å; Y200-M204 HydrophobicContact CE2-SD 3.83Å; Y200-M204 VanDerWaalsContact CZ-CG 3.47Å; Y200-M204 WeakPolarHBondContact O-CG 3.49Å; Y200-M204 PolarHBondContact O-N 3.01Å; Y200-M204 PolarHBondContact OH-SD 3.1Å; R201-M204 PolarHBondContact O-N 3.34Å; S202-M204 VanDerWaalsContact C-N 3.31Å; S202-M204 PolarHBondContact O-N 2.94Å; M204-E207 WeakPolarHBondContact CE-OE2 3.45Å; M204-Q208 WeakPolarHBondContact O-CG 3.48Å; M204-Q208 PolarHBondContact O-N 3.39Å
205V93.1Very high89.2Confident54 Ų54103.7 Ų103.733%0.32751%0.509SS..Hα-helixtrans-67.8-41175.9172.20000110.7R201 S202 L203 Q208 R209R201-V205 WeakPolarHBondContact O-CG2 3.48Å; R201-V205 PolarHBondContact O-N 2.84Å; S202-V205 PolarHBondContact O-N 3.43Å; S202-V205 VanDerWaalsContact O-N 3.15Å; L203-V205 VanDerWaalsContact C-N 3.3Å; L203-V205 PolarHBondContact O-N 3.21Å; V205-Q208 PolarHBondContact O-N 3.26Å; V205-R209 VanDerWaalsContact O-CG 3.3Å; V205-R209 WeakPolarHBondContact O-CG 3.16Å; V205-R209 PolarHBondContact O-N 3.08Å
206Q92.8Very high87.4Confident98 Ų98106.9 Ų106.946%0.45853%0.526SS..Hα-helixtrans-62.7-43.9175.6-70-179.6-0.300111.9S202 L203 Q208 R209 L210S202-Q206 WeakPolarHBondContact O-CG 3.32Å; S202-Q206 PolarHBondContact O-N 3.45Å; L203-Q206 PolarHBondContact O-N 3.21Å; Q206-Q208 PolarHBondContact O-N 2.94Å; Q206-R209 WeakPolarHBondContact O-CB 3.41Å; Q206-R209 PolarHBondContact O-N 2.89Å; Q206-L210 WeakPolarHBondContact O-CG 3.46Å; Q206-L210 PolarHBondContact O-N 3.39Å
207E90.8Very high85.4Confident109 Ų109106.3 Ų106.351%0.50954%0.535SS..Hα-helixtrans-57.2-49.3174.7-177.9-178.1-158.100110.7L203 M204 R209 L210 V211L203-E207 WeakPolarHBondContact O-CB 3.39Å; L203-E207 PolarHBondContact O-N 3.27Å; M204-E207 WeakPolarHBondContact CE-OE2 3.45Å; E207-R209 VanDerWaalsContact C-N 3.32Å; E207-R209 PolarHBondContact O-N 2.94Å; E207-L210 PolarHBondContact O-N 3.2Å; E207-V211 HydrophobicContact CG-CG2 4.22Å; E207-V211 WeakPolarHBondContact O-CB 3.4Å; E207-V211 VanDerWaalsContact O-CG2 3.27Å; E207-V211 WeakPolarHBondContact O-CG2 3.49Å; E207-V211 PolarHBondContact O-N 3.01Å
208Q90Very high83Confident107 Ų107104.3 Ų104.350%0.554%0.536SS..Hα-helixtrans-59.5-41.5177.2-73.2176.11000112.3M204 V205 Q206 V211 H212M204-Q208 WeakPolarHBondContact O-CG 3.48Å; M204-Q208 PolarHBondContact O-N 3.39Å; V205-Q208 PolarHBondContact O-N 3.26Å; Q206-Q208 PolarHBondContact O-N 2.94Å; Q208-V211 PolarHBondContact O-N 3.47Å; Q208-H212 WeakPolarHBondContact O-CB 3.48Å; Q208-H212 PolarHBondContact O-CD2 3.49Å; Q208-H212 PolarHBondContact O-N 3.34Å
209R86.7Confident81Confident140 Ų140102.8 Ų102.853%0.52854%0.539SS..Hα-helixtrans-59.7-47.5175.4-72.5171.6-176.3-169.52.7111.2V205 Q206 E207 H212 G213 I214V205-R209 VanDerWaalsContact O-CG 3.3Å; V205-R209 WeakPolarHBondContact O-CG 3.16Å; V205-R209 PolarHBondContact O-N 3.08Å; Q206-R209 WeakPolarHBondContact O-CB 3.41Å; Q206-R209 PolarHBondContact O-N 2.89Å; E207-R209 VanDerWaalsContact C-N 3.32Å; E207-R209 PolarHBondContact O-N 2.94Å; R209-H212 PolarHBondContact O-N 3.36Å; R209-G213 PolarHBondContact O-N 3.4Å; R209-I214 HydrophobicContact CB-CB 4.18Å; R209-I214 CarbonylContact O-C 3.57Å; R209-I214 WeakPolarHBondContact O-CA 3.27Å; R209-I214 WeakPolarHBondContact O-CB 3.19Å; R209-I214 PolarHBondContact O-N 3.17Å
210L86.4Confident79Confident106 Ų106101 Ų10156%0.55554%0.541SS*.Hα-helixtrans-65.3-43.1179.3-68.8171.8000112.2Q206 E207 H212 G213Q206-L210 WeakPolarHBondContact O-CG 3.46Å; Q206-L210 PolarHBondContact O-N 3.39Å; E207-L210 PolarHBondContact O-N 3.2Å; L210-H212 VanDerWaalsContact C-N 3.34Å; L210-H212 PolarHBondContact O-N 3.07Å; L210-G213 PolarHBondContact O-N 3.39Å; L210-G213 VanDerWaalsContact O-N 3.09Å
211V88.7Confident77Confident109 Ų10998.9 Ų98.966%0.66154%0.538SS*.Hα-helixtrans-63.1-39.8177.7169.60000111.5E207 Q208 G213E207-V211 HydrophobicContact CG-CG2 4.22Å; E207-V211 WeakPolarHBondContact O-CB 3.4Å; E207-V211 VanDerWaalsContact O-CG2 3.27Å; E207-V211 WeakPolarHBondContact O-CG2 3.49Å; E207-V211 PolarHBondContact O-N 3.01Å; Q208-V211 PolarHBondContact O-N 3.47Å; V211-G213 PolarHBondContact O-N 3.01Å
212H81.2Confident75.1Confident149 Ų14999.9 Ų99.969%0.6954%0.543SS*.THydrogen-bonded Turntrans-79.89.3176.2-73.6-64.3000113.8Q208 R209 L210 I214Q208-H212 WeakPolarHBondContact O-CB 3.48Å; Q208-H212 PolarHBondContact O-CD2 3.49Å; Q208-H212 PolarHBondContact O-N 3.34Å; R209-H212 PolarHBondContact O-N 3.36Å; L210-H212 VanDerWaalsContact C-N 3.34Å; L210-H212 PolarHBondContact O-N 3.07Å; H212-I214 PolarHBondContact O-N 3.45Å
213G70.7Confident73.1Confident56 Ų56103.4 Ų103.458%0.57755%0.552SS**THydrogen-bonded Turntrans7312.917600000114R209 L210 V211 V215R209-G213 PolarHBondContact O-N 3.4Å; L210-G213 PolarHBondContact O-N 3.39Å; L210-G213 VanDerWaalsContact O-N 3.09Å; V211-G213 PolarHBondContact O-N 3.01Å; G213-V215 PolarHBondContact O-N 2.95Å
214I64.1Low71.2Confident109 Ų109101.9 Ų101.956%0.55955%0.551SS**  trans-78.769.5165.6-49.8172.2000106.4R209 H212R209-I214 HydrophobicContact CB-CB 4.18Å; R209-I214 CarbonylContact O-C 3.57Å; R209-I214 WeakPolarHBondContact O-CA 3.27Å; R209-I214 WeakPolarHBondContact O-CB 3.19Å; R209-I214 PolarHBondContact O-N 3.17Å; H212-I214 PolarHBondContact O-N 3.45Å
215V59.8Low69.2Low78 Ų78103.6 Ų103.647%0.47356%0.56SS.*  trans-80.6123.7171.4-169.90000105.8G213 S217G213-V215 PolarHBondContact O-N 2.95Å; V215-S217 PolarHBondContact O-N 2.83Å; V215-S217 PolarHBondContact O-OG 3.47Å
216M60Low67.3Low156 Ų156108.1 Ų108.177%0.76858%0.578SS**  trans-7068.8160.2-66.7-158.571.100107.7D218 L221M216-D218 VanDerWaalsContact C-N 3.33Å; M216-L221 HydrophobicContact CE-CD1 4.48Å
217S55.8Low65.6Low95 Ų95108.4 Ų108.466%0.66459%0.591SS**  trans-92.69-176.546.70000112.8V215 A219V215-S217 PolarHBondContact O-N 2.83Å; V215-S217 PolarHBondContact O-OG 3.47Å; S217-A219 PolarHBondContact O-N 3.37Å
218D47.8Very low63.8Low108 Ų108106 Ų10658%0.57859%0.589SS**  trans-85.191.4167.4-114.8-23000108.5M216 A220 L221M216-D218 VanDerWaalsContact C-N 3.33Å; D218-A220 PolarHBondContact O-N 3.04Å; D218-A220 VanDerWaalsContact O-N 3.07Å; D218-L221 HydrophobicContact CB-CD1 4Å; D218-L221 HydrophobicContact CB-CG 3.99Å; D218-L221 PolarHBondContact O-N 3.19Å
219A55.2Low62Low81 Ų81103.5 Ų103.567%0.66959%0.592SS**Hα-helixtrans-50.7-25.616800000111.8S217 L221 Y222 E223S217-A219 PolarHBondContact O-N 3.37Å; A219-L221 VanDerWaalsContact C-N 3.3Å; A219-L221 PolarHBondContact O-N 2.95Å; A219-Y222 PolarHBondContact O-N 2.81Å; A219-E223 PolarHBondContact O-N 2.98Å
220A55.8Low60.3Low60 Ų60102.6 Ų102.650%0.49660%0.596SS.*Hα-helixtrans-64.8-26.5174.100000114.2D218 S224D218-A220 PolarHBondContact O-N 3.04Å; D218-A220 VanDerWaalsContact O-N 3.07Å; A220-S224 VanDerWaalsContact O-CB 3.3Å; A220-S224 WeakPolarHBondContact O-CB 3.27Å; A220-S224 PolarHBondContact O-N 3.37Å; A220-S224 VanDerWaalsContact O-N 3.12Å
221L55.9Low58.4Low90 Ų90107.3 Ų107.347%0.47161%0.608SS.*Hα-helixtrans-79-26.6178.5-69.9174.3000112.4M216 D218 A219 L225M216-L221 HydrophobicContact CE-CD1 4.48Å; D218-L221 HydrophobicContact CB-CD1 4Å; D218-L221 HydrophobicContact CB-CG 3.99Å; D218-L221 PolarHBondContact O-N 3.19Å; A219-L221 VanDerWaalsContact C-N 3.3Å; A219-L221 PolarHBondContact O-N 2.95Å; L221-L225 WeakPolarHBondContact O-CB 3.44Å; L221-L225 PolarHBondContact O-N 3.22Å; L221-L225 VanDerWaalsContact O-N 3.1Å
222Y55.8Low56.4Low181 Ų181105.4 Ų105.471%0.7161%0.61SS**Hα-helixtrans-73-44.3176.1-157.1-93.3000110.8A219 S224 L225 E226A219-Y222 PolarHBondContact O-N 2.81Å; Y222-S224 VanDerWaalsContact C-N 3.33Å; Y222-S224 PolarHBondContact O-N 3.19Å; Y222-L225 PolarHBondContact O-N 3.4Å; Y222-E226 WeakPolarHBondContact O-CB 3.35Å; Y222-E226 PolarHBondContact O-N 2.97Å
223E54.6Low55Low138 Ų138103.3 Ų103.365%0.64561%0.613SS**Hα-helixtrans-65.7-34.5175.6-167.1167.5-171.400112.1A219 S227A219-E223 PolarHBondContact O-N 2.98Å; E223-S227 VanDerWaalsContact O-CB 3.25Å; E223-S227 WeakPolarHBondContact O-CB 3.39Å; E223-S227 PolarHBondContact O-N 3.15Å; E223-S227 PolarHBondContact O-OG 2.99Å
224S55.3Low53.9Low73 Ų73108.7 Ų108.751%0.5163%0.627SS.*Hα-helixtrans-74.7-28.7175.5-168.20000113.9A220 Y222 A228A220-S224 VanDerWaalsContact O-CB 3.3Å; A220-S224 WeakPolarHBondContact O-CB 3.27Å; A220-S224 PolarHBondContact O-N 3.37Å; A220-S224 VanDerWaalsContact O-N 3.12Å; Y222-S224 VanDerWaalsContact C-N 3.33Å; Y222-S224 PolarHBondContact O-N 3.19Å; S224-A228 WeakPolarHBondContact O-CB 3.46Å; S224-A228 PolarHBondContact O-N 2.97Å; S224-A228 VanDerWaalsContact O-N 3.1Å
225L53.4Low53.1Low78 Ų78106.8 Ų106.841%0.40864%0.635SS.*Hα-helixtrans-81.9-33176.7-94156.7000112.6L221 Y222 A228 I230L221-L225 WeakPolarHBondContact O-CB 3.44Å; L221-L225 PolarHBondContact O-N 3.22Å; L221-L225 VanDerWaalsContact O-N 3.1Å; Y222-L225 PolarHBondContact O-N 3.4Å; L225-A228 PolarHBondContact O-N 3.28Å; L225-I230 HydrophobicContact CD2-CB 4.12Å; L225-I230 HydrophobicContact CD2-CG2 4.41Å
226E52.7Low52.3Low150 Ų150107.8 Ų107.870%0.70165%0.651SS**Hα-helixtrans-67.7-39170.6-164166.7-157.600110.7Y222Y222-E226 WeakPolarHBondContact O-CB 3.35Å; Y222-E226 PolarHBondContact O-N 2.97Å
227S56.1Low51.5Low104 Ų104105.4 Ų105.473%0.72765%0.648SS**Hα-helixtrans-73-23174.5-59.50000114.2E223E223-S227 VanDerWaalsContact O-CB 3.25Å; E223-S227 WeakPolarHBondContact O-CB 3.39Å; E223-S227 PolarHBondContact O-N 3.15Å; E223-S227 PolarHBondContact O-OG 2.99Å
228A54.3Low50.7Low58 Ų58105.1 Ų105.148%0.47965%0.645SS.*THydrogen-bonded Turntrans-88.3-0.1178.800000113.8S224 L225 I230S224-A228 WeakPolarHBondContact O-CB 3.46Å; S224-A228 PolarHBondContact O-N 2.97Å; S224-A228 VanDerWaalsContact O-N 3.1Å; L225-A228 PolarHBondContact O-N 3.28Å; A228-I230 HydrophobicContact CB-CD1 4.43Å; A228-I230 HydrophobicContact CB-CG1 4Å; A228-I230 VanDerWaalsContact O-CG1 3.31Å; A228-I230 WeakPolarHBondContact O-CG1 3.47Å; A228-I230 PolarHBondContact O-N 3.06Å; A228-I230 VanDerWaalsContact O-N 3.11Å
229G52.6Low50.5Low54 Ų54106.1 Ų106.156%0.55766%0.658SS**THydrogen-bonded Turntrans64.316174.900000115.3Y231 G232G229-Y231 VanDerWaalsContact C-N 3.28Å; G229-Y231 PolarHBondContact O-N 3.03Å; G229-G232 PolarHBondContact O-N 3.12Å
230I50.7Low50.1Low121 Ų121106.4 Ų106.462%0.62166%0.66SS**G310 helixtrans-77.8-12.4-171.3-59.9-155.1000112.9L225 A228 G232L225-I230 HydrophobicContact CD2-CB 4.12Å; L225-I230 HydrophobicContact CD2-CG2 4.41Å; A228-I230 HydrophobicContact CB-CD1 4.43Å; A228-I230 HydrophobicContact CB-CG1 4Å; A228-I230 VanDerWaalsContact O-CG1 3.31Å; A228-I230 WeakPolarHBondContact O-CG1 3.47Å; A228-I230 PolarHBondContact O-N 3.06Å; A228-I230 VanDerWaalsContact O-N 3.11Å; I230-G232 PolarHBondContact O-N 3.32Å
231Y45.5Very low49.7Very low205 Ų205107.5 Ų107.580%0.80467%0.67SS**G310 helixtrans-85.120.3168.6-93.8-84.8000114.5G229G229-Y231 VanDerWaalsContact C-N 3.28Å; G229-Y231 PolarHBondContact O-N 3.03Å
232G46.8Very low49.1Very low69 Ų69111.2 Ų111.271%0.71168%0.684SS**G310 helixtrans-82.3-0.717300000116.3G229 I230G229-G232 PolarHBondContact O-N 3.12Å; I230-G232 PolarHBondContact O-N 3.32Å
233S51.1Low48.5Very low106 Ų106114.3 Ų114.374%0.74170%0.695SS**SBendtrans-141.816.1-169.1-136.40000118.4
234L49.5Very low48.1Very low168 Ų168111.8 Ų111.888%0.8870%0.697SS**SBendtrans-141.871.3168.5-70.9175.5000110.9
235G45.5Very low47.4Very low70 Ų70116.1 Ų116.172%0.72271%0.714SS**SBendtrans155108.5172.500000110.8
236A43.5Very low46.6Very low99 Ų99121.3 Ų121.382%0.81874%0.736SS**PPolyproline II helixtrans-51.2136.2178.400000111.8
237P42.6Very low45.7Very low106 Ų106120 Ų12069%0.68874%0.742SS**PPolyproline II helixtrans-73.1133.4172.229.8-30.6000109.6
238S39.9Very low44.7Very low88 Ų88123.1 Ų123.162%0.61575%0.751SS**PPolyproline II helixtrans-57.3139.9162.7171.60000109.8A240S238-A240 PolarHBondContact O-N 2.86Å
239P43.8Very low43.6Very low129 Ų129123.7 Ų123.784%0.83876%0.762SS**THydrogen-bonded Turntrans-69.112.3-17126.3-33.3000115.5
240A46.5Very low42.8Very low87 Ų87126.4 Ų126.472%0.71977%0.772SS**THydrogen-bonded Turntrans-95.6-12-177.500000115.1S238S238-A240 PolarHBondContact O-N 2.86Å
241A47.6Very low42Very low84 Ų84127 Ų12769%0.69478%0.782SS**SBendtrans-97.1-2.2-170.200000115.9R243A241-R243 PolarHBondContact O-N 3.26Å
242Q42.8Very low41.4Very low168 Ų168122.3 Ų122.379%0.78578%0.779SS**THydrogen-bonded Turntrans-87.28.1-173.7-74.8-172.8-22.400115.8
243R44.6Very low41.1Very low245 Ų245124.4 Ų124.493%0.92578%0.783SS**THydrogen-bonded Turntrans-998.7-175.1-102.2-170.6-79.3160.7-6.4116.7A241A241-R243 PolarHBondContact O-N 3.26Å
244A44.2Very low40.3Very low85 Ų85124.5 Ų124.570%0.70278%0.784SS**SBendtrans-122.512.8-168.500000117.2
245L40.5Very low39.4Very low164 Ų164120.9 Ų120.986%0.85978%0.778SS**  trans-135.665.8177.3-65.8175000112.6
246H37.5Very low38.8Very low187 Ų187122.4 Ų122.487%0.86678%0.778SS**  trans-136.686.3156.4-80-78.3000108.7
247C33.7Very low38.5Very low124 Ų124125.2 Ų125.284%0.83878%0.778SS**  trans-168.994157.9-91.90000109.1
248N35.5Very low37.9Very low169 Ų169127.5 Ų127.590%0.90478%0.784SS**  trans-176.8129.2132.4-102.215.8000110.1
249G31.1Very low37.5Very low70 Ų70128.6 Ų128.672%0.72279%0.791SS**  trans-63.5171.2177.800000113.3
250S35.6Very low37.1Very low110 Ų110128.4 Ų128.477%0.76979%0.788SS**  cis-171.316043.3-83.90000112.6
251T34.1Very low36.7Very low133 Ų133128.6 Ų128.682%0.81679%0.789SS**  trans64105.2146.258.60000120.3
252S33.9Very low36.4Very low108 Ų108131.3 Ų131.376%0.75580%0.797SS**  166.6120.798.461.90000111.9
253S38.6Very low36.4Very low113 Ų113131.2 Ų131.279%0.7980%0.797SS**  trans43.7137.7134.2-28.70000119.5
254S34.6Very low36Very low108 Ų108127 Ų12776%0.75579%0.793SS**  cis-172.5155.417.2-20.80000109.8
255A31.5Very low36.1Very low92 Ų92129.3 Ų129.376%0.7679%0.794SS**  trans73.1138.9147.500000117.6
256S32Very low36.6Very low102 Ų102127.2 Ų127.271%0.71379%0.79SS**  cis-169.915310-15.70000110
257L37Very low36.7Very low158 Ų158125 Ų12583%0.82778%0.783SS**  trans81.195.4147.7-58.3172.1000121.7
258L31.4Very low36.8Very low154 Ų154129.4 Ų129.481%0.80678%0.784SS**  18123.8123.9-75.5150.7000120.6
259S32Very low36.8Very low111 Ų111130.1 Ų130.178%0.77678%0.782SS**  -166.7101.7128.4-76.40000108.5
260T34.4Very low36.8Very low125 Ų125132.8 Ų132.877%0.76779%0.785SS**  67.9106.4101.259.70000115.6
261A37.5Very low36.6Very low90 Ų90133.3 Ų133.374%0.74479%0.787SS**  trans4.8129.5153.400000119.5
262T41.4Very low36.4Very low141 Ų141135.9 Ų135.987%0.86579%0.789SS**  -161.4152.9115.222.90000108.9
263E43.2Very low36.4Very low166 Ų166141.5 Ų141.578%0.77680%0.796SS**  trans-61.4168.5-171.8-43.9-72.9136.100113.7
264D37Very low35.9Very low158 Ų158143.3 Ų143.385%0.84579%0.791SS**  trans107.7115.8160-53.7-42000118.3
265D44.9Very low35.6Very low133 Ų133143.8 Ų143.871%0.71179%0.794SS**  trans-64.7144171-163.319.9000110.7L267D265-L267 PolarHBondContact OD1-N 3.09Å
266P51.8Low35.5Very low120 Ų120144.8 Ų144.878%0.77979%0.787SS**  -146.4148.199.634.9-17.5000116.4
267L40.3Very low35.4Very low140 Ų140145.1 Ų145.173%0.73379%0.79SS**  trans-52.5133.6164.4-78.9146.3000114.9D265D265-L267 PolarHBondContact OD1-N 3.09Å
268Y35Very low35.4Very low216 Ų216148.5 Ų148.585%0.84779%0.793SS**  trans75.492157.4-93.5-96.2000120
269Q35Very low35.9Very low184 Ų184149.4 Ų149.486%0.8680%0.795SS**PPolyproline II helixtrans-70.4120.7163-174.4154.4-10.100111.6
270T32.1Very low35.8Very low127 Ų127151.9 Ų151.978%0.77980%0.799SS**PPolyproline II helixtrans-86.1129169.8-64.60000109Q272T270-Q272 PolarHBondContact O-N 3.32Å
271C31.8Very low35.8Very low120 Ų120150.7 Ų150.781%0.81180%0.796SS**PPolyproline II helixtrans-66.6118177.8-62.50000111.2
272Q29Very low35.5Very low188 Ų188151.7 Ų151.788%0.87980%0.798SS**PPolyproline II helixtrans-82.1125.9168.9-144.8109.113.400108.9T270T270-Q272 PolarHBondContact O-N 3.32Å
273Y33Very low35Very low226 Ų226150.1 Ų150.189%0.88679%0.793SS**PPolyproline II helixtrans-77.4121.5165.9-103.8-93.6000109.2
274H28.3Very low34.5Very low151 Ų151146.8 Ų146.870%0.69979%0.794SS**  trans-79.2115.1171.5-152.744000108.3D276H274-D276 IonicContact CD2-OD1 2.76Å; H274-D276 IonicContact CD2-OD2 3.2Å; H274-D276 PolarHBondContact CD2-OD2 2.84Å; H274-D276 IonicContact CE1-OD1 3.08Å; H274-D276 PolarHBondContact CE1-OD1 3.47Å; H274-D276 IonicContact CE1-OD2 3.9Å; H274-D276 IonicContact ND1-OD1 3.73Å; H274-D276 IonicContact NE2-OD1 3.26Å; H274-D276 PolarHBondContact NE2-OD1 3.42Å; H274-D276 IonicContact NE2-OD2 3.88Å; H274-D276 PolarHBondContact NE2-OD2 3.45Å
275S28.7Very low34.2Very low117 Ų117146 Ų14682%0.81879%0.789SS**  trans-120.5101.5156.3-78.40000106.2
276D30.1Very low33.6Very low113 Ų113148.2 Ų148.260%0.60479%0.793SS**  trans-72.1121.6172.1-79.2-34.1000110H274H274-D276 IonicContact CD2-OD1 2.76Å; H274-D276 IonicContact CD2-OD2 3.2Å; H274-D276 PolarHBondContact CD2-OD2 2.84Å; H274-D276 IonicContact CE1-OD1 3.08Å; H274-D276 PolarHBondContact CE1-OD1 3.47Å; H274-D276 IonicContact CE1-OD2 3.9Å; H274-D276 IonicContact ND1-OD1 3.73Å; H274-D276 IonicContact NE2-OD1 3.26Å; H274-D276 PolarHBondContact NE2-OD1 3.42Å; H274-D276 IonicContact NE2-OD2 3.88Å; H274-D276 PolarHBondContact NE2-OD2 3.45Å
277S29.8Very low32.7Very low110 Ų110150 Ų15077%0.76980%0.795SS**  trans-155.1106.9142.362.60000109.3
278Y36.8Very low32.1Very low229 Ų229149.8 Ų149.890%0.89879%0.794SS**  trans-71.1149.3172.1-103-102.8000111.9
279M41.7Very low31.8Very low173 Ų173147.6 Ų147.685%0.85279%0.792SS**  trans-80.1150.3175.5-66.1-76.2157.600112.1
280D29.3Very low31.6Very low162 Ų162147.1 Ų147.187%0.86679%0.79SS**  -167.7150.9117.2-154.54.8000112.7
281S34.3Very low32.3Very low100 Ų100146.3 Ų146.370%0.69979%0.787SS**  trans-100.6144.7178.2-66.70000111.7
282S31.4Very low32.8Very low112 Ų112145.8 Ų145.878%0.78378%0.782SS**  158.7137.2127.156.50000115.9
283S31.5Very low32.8Very low108 Ų108141.7 Ų141.776%0.75577%0.774SS**  trans66.4117.9143.840.80000125
284A32.9Very low32.7Very low96 Ų96139.4 Ų139.479%0.79377%0.771SS**  74.1124.4124.900000124.3
285D30.7Very low32.8Very low141 Ų141143.3 Ų143.375%0.75478%0.78SS**  trans67.3116.6140.6-91.4-30.7000125.1
286K32.9Very low32.9Very low179 Ų179146.4 Ų146.478%0.77878%0.781SS**  trans56.8132.8130.9-75.3179-174.3179.30125.3
287L31.3Very low33Very low158 Ų158150 Ų15083%0.82779%0.794SS**  trans93111.1139.4-79.2166.1000122.1
288N28.6Very low32.9Very low135 Ų135155.3 Ų155.372%0.72280%0.798SS**  52.9122129.2-156.243.1000122.9
289E27.7Very low32.8Very low171 Ų171152.2 Ų152.280%0.79980%0.795SS**  158.1143.9127.1-86.9-95.581.600111.9
290Q31.4Very low32.5Very low173 Ų173153.5 Ų153.581%0.80879%0.79SS**  trans-86.8-167.2172.1-73-169.3-17.200111.8
291P47Very low32.7Very low111 Ų111151.4 Ų151.472%0.72179%0.786SS**  -114-158.5-75.439.2-20.6000109.7
292P43Very low32.5Very low109 Ų109153.7 Ų153.771%0.70880%0.796SS**  cis-145174.915.541.1-17.5000120.6
293S28.9Very low32.8Very low101 Ų101153.2 Ų153.271%0.70679%0.792SS**  trans59.3118.5145.464.30000122.6
294Q31.1Very low33.1Very low179 Ų179157.2 Ų157.284%0.83680%0.799SS**  179.7137.9102.6-112.2-178.9-7.300114.5
295R30.1Very low33.3Very low232 Ų232160.5 Ų160.588%0.87580%0.802SS**  trans62.9102.4149.8-98.2177.4175.8178.7-1.6121.9
296Q31.3Very low33.8Very low182 Ų182161.6 Ų161.685%0.8581%0.807SS**  trans-32.2138.1146.1-60.9162.2-1300114.9
297Q31.5Very low33.9Very low188 Ų188159.4 Ų159.488%0.87981%0.809SS**  -162.3115.5117.7-102176.130.800110.5
298R28.6Very low34.1Very low222 Ų222157.9 Ų157.984%0.83881%0.806SS**  trans-98.6113.3-179.6-173.5-168.8-76.9-154.2-0.1106.9
299I33.7Very low34.4Very low165 Ų165157.8 Ų157.885%0.84681%0.811SS**PPolyproline II helixtrans-91.3117.8172-59.8176000107.7
300R34.5Very low34.9Very low199 Ų199159.2 Ų159.275%0.75181%0.814SS**PPolyproline II helixtrans-86.9152.5171.8-82.4-173.2173.3170.3-1109.9
301P34.2Very low35.2Very low118 Ų118157 Ų15777%0.76681%0.813SS**PPolyproline II helixtrans-73.4142.7179.830.1-32.9000111.8S303P301-S303 PolarHBondContact O-N 3.5Å
302T30.6Very low34.7Very low149 Ų149160 Ų16091%0.91482%0.817SS**  trans-74.3100.8177.948.60000110.8
303S37.8Very low34.5Very low102 Ų102162.6 Ų162.671%0.71382%0.824SS**  trans-139.395.4160.558.50000106.7P301P301-S303 PolarHBondContact O-N 3.5Å
304E37.8Very low35Very low192 Ų192163.2 Ų163.290%0.89782%0.823SS**  trans17984.4156-76-136.3173.500108
305L35.9Very low35.5Very low164 Ų164165.3 Ų165.386%0.85982%0.824SS**  trans-156.8107.4152.8-143.687.6000108
306L41.2Very low36Very low164 Ų164160 Ų16086%0.85982%0.822SS**  trans16394.7135.4-80.4-175.8000107.9
307T35.4Very low36.5Very low133 Ų133155.5 Ų155.582%0.81682%0.816SS**  trans-70.9133.3171.9380000111.1
308V35.3Very low36.8Very low127 Ų127152.5 Ų152.577%0.7782%0.816SS**  trans0.5116.3150.6-175.90000116.4
309T35.3Very low37.5Very low132 Ų132148 Ų14881%0.8181%0.814SS**  trans-121.6113146.849.90000109.3
310K38.9Very low37.7Very low201 Ų201151.6 Ų151.687%0.87482%0.816SS**  trans-67.9122.7170.6-95.9172.7168.4170.60108.6
311T38.1Very low37.6Very low127 Ų127145 Ų14578%0.77980%0.801SS**  trans-112.4126.8160.453.60000109.4
312H36.4Very low37.7Very low174 Ų174149.9 Ų149.981%0.80681%0.806SS**  trans-81.1114.9-172-170.1-97.4000109.5T314H312-T314 PolarHBondContact O-N 3.2Å
313L38.6Very low38Very low164 Ų164150 Ų15086%0.85981%0.806SS**  trans-83.8103.8178.9-108.4134.4000110.4R315L313-R315 PolarHBondContact O-N 3.26Å
314T39.1Very low37.8Very low113 Ų113156.4 Ų156.469%0.69381%0.814SS**  trans-80.9110.8172.8-370000109.6H312 S316H312-T314 PolarHBondContact O-N 3.2Å; T314-S316 PolarHBondContact O-N 3.08Å
315R41.5Very low37.6Very low223 Ų223150.7 Ų150.784%0.84281%0.807SS**  trans-60.9121.9172-62.9171.375.3-121.46.5109.4L313L313-R315 PolarHBondContact O-N 3.26Å
316S40.3Very low37.5Very low120 Ų120148.4 Ų148.484%0.83981%0.805SS**  trans-113.397.1161.7-62.10000108.7T314T314-S316 PolarHBondContact O-N 3.08Å
317A40.8Very low37.3Very low89 Ų89146.4 Ų146.474%0.73681%0.805SS**  trans-82.1132.8158.500000107.6
318S38.3Very low37.2Very low125 Ų125145.6 Ų145.687%0.87481%0.805SS**  trans-138.3110.7161.1-166.40000110.2
319T43.4Very low37Very low128 Ų128144.8 Ų144.879%0.78581%0.805SS**  trans-92.6135.2167.747.50000109.3
320R37.3Very low36.8Very low239 Ų239143.4 Ų143.490%0.90280%0.8SS**  trans-173.6114.4145.1-102.3-159.9154.5-158.2-4.6108.3
321S32.4Very low36.5Very low62 Ų62139 Ų13943%0.43479%0.794SS.*  88.9103.357.978.90000113.6
322Y37.2Very low36.1Very low219 Ų219137.7 Ų137.786%0.85979%0.791SS**  trans35.1123.4144.3-16.4-75.2000120.3
323V36.4Very low35.9Very low152 Ų152136.3 Ų136.392%0.92180%0.795SS**  trans-131.9108.4132.6-77.20000109.7
324R34.5Very low35.5Very low236 Ų236131.7 Ų131.789%0.89179%0.786SS**  trans-76.2138.3167.6-171.7179.7-163.4-177.33.6107.4
325G32.7Very low35.1Very low73 Ų73132.2 Ų132.275%0.75379%0.794SS**  trans-60.4143.2172.300000111.9
326S34.9Very low34.6Very low116 Ų116126.2 Ų126.281%0.81179%0.792SS**  trans-130.4112.5163.7-67.20000107.7
327S36.1Very low34.2Very low122 Ų122127.9 Ų127.985%0.85379%0.787SS**  trans-62.9129.8161.248.20000110.2
328S33.2Very low34Very low116 Ų116131.7 Ų131.781%0.81179%0.787SS**  trans-148.6128.7149.853.80000109.9
329S32.3Very low33.8Very low110 Ų110135 Ų13577%0.76979%0.789SS**  trans-63.1146.5175.946.30000113.1
330S30.6Very low33.3Very low102 Ų102133 Ų13371%0.71379%0.793SS**  152.7137.6110.555.20000112.9
331S31.7Very low33.3Very low108 Ų108125.2 Ų125.276%0.75579%0.787SS**  trans63143.9150.358.10000119.6
332S29.5Very low33.9Very low101 Ų101133.1 Ų133.171%0.70681%0.814SS**  cis171.4154.1-19.747.70000105.7
333V32.4Very low33.9Very low145 Ų145125.8 Ų125.888%0.87981%0.806SS**  trans98.1126.4157.4-172.40000118.5
334G29.8Very low34.4Very low66 Ų66124 Ų12468%0.6880%0.8SS**  trans131.665.2156.800000114
335S31.3Very low34.7Very low124 Ų124120.6 Ų120.687%0.86780%0.799SS**  72.7130.394.8-72.60000117.4
336A31.8Very low35.5Very low97 Ų97126 Ų12680%0.80280%0.804SS**  trans104.591.6152.600000120.1
337E32.4Very low36.2Very low155 Ų155132 Ų13272%0.72481%0.809SS**  49.3119.3124.4-65.7-160.5116.200124.5
338K35.4Very low36.9Very low170 Ų170135.2 Ų135.274%0.73981%0.808SS**  88.5137.9125.2-81.5177.4178.3138.50122.4
339Q33.6Very low37.8Very low194 Ų194135.6 Ų135.691%0.90781%0.807SS**  trans85.4115.2168.5-57.1-177.27.700114
340G34.7Very low39.1Very low86 Ų86139.9 Ų139.989%0.88781%0.812SS**  cis107.481.442.400000107.6
341G36.5Very low40.5Very low75 Ų75143.7 Ų143.777%0.77382%0.819SS**  trans-169108.6-177.500000112.4G343G341-G343 PolarHBondContact O-N 3.14Å; G341-G343 VanDerWaalsContact O-N 3.14Å
342F44.6Very low42.2Very low228 Ų228146.3 Ų146.3100%182%0.816SS**  trans-62.5107.6171-78-95.8000109.9
343G37.1Very low44.3Very low66 Ų66144.7 Ų144.768%0.6881%0.805SS**  trans-106.6105.9169.900000110.1G341 L345G341-G343 PolarHBondContact O-N 3.14Å; G341-G343 VanDerWaalsContact O-N 3.14Å; G343-L345 PolarHBondContact O-N 2.92Å
344S48.1Very low45.9Very low114 Ų114145.1 Ų145.180%0.79780%0.795SS**  trans-60.5103.9164.855.20000108.7Q346S344-Q346 PolarHBondContact O-N 3.01Å
345L40.2Very low47.9Very low165 Ų165150.8 Ų150.886%0.86480%0.796SS**  trans-59.9110.2172.4-72.6171.4000108.7G343 R347G343-L345 PolarHBondContact O-N 2.92Å; L345-R347 PolarHBondContact O-N 2.79Å
346Q49.6Very low49.7Very low186 Ų186153.9 Ų153.987%0.86979%0.789SS**  trans-58.6107.8170.3-71.9-160.3-22.300108.8S344 K348S344-Q346 PolarHBondContact O-N 3.01Å; Q346-K348 PolarHBondContact O-N 3.38Å
347R49.3Very low51.6Low243 Ų243156.3 Ų156.392%0.91778%0.777SS**  trans-63.5109.4170.4-76-178.9165.6171.6-2.8107.6L345L345-R347 PolarHBondContact O-N 2.79Å
348K51.1Low53.4Low189 Ų189153.1 Ų153.182%0.82277%0.765SS**  trans-50.9134.8170.2-68.1-153.9173.4-171.70109.3Q346 K350Q346-K348 PolarHBondContact O-N 3.38Å; K348-K350 PolarHBondContact O-N 3.36Å
349P51.5Low55.1Low124 Ų124147.1 Ų147.181%0.80574%0.741SS**  trans-63.6115.2178.325.8-32000108Q351P349-Q351 PolarHBondContact O-N 3.25Å; P349-Q351 VanDerWaalsContact O-N 3.12Å
350K59.6Low56.9Low199 Ų199145.3 Ų145.387%0.86573%0.73SS**PPolyproline II helixtrans-55121.4173.2-73.6-177.9176.5-179.50107.5K348 K352K348-K350 PolarHBondContact O-N 3.36Å; K350-K352 PolarHBondContact O-N 3.33Å
351Q60.3Low58.5Low183 Ų183149.1 Ų149.186%0.85572%0.722SS**PPolyproline II helixtrans-51.8117170.5-94.2-171.4-18.400108P349 S353P349-Q351 PolarHBondContact O-N 3.25Å; P349-Q351 VanDerWaalsContact O-N 3.12Å; Q351-S353 PolarHBondContact O-N 3.19Å; Q351-S353 VanDerWaalsContact O-N 3.08Å
352K66.7Low60.3Low162 Ų162149 Ų14970%0.70470%0.703SS**PPolyproline II helixtrans-59.2119175-74.8-179.5179.1178.10107.3K350 F354K350-K352 PolarHBondContact O-N 3.33Å; K352-F354 PolarHBondContact O-N 3.29Å
353S74.5Confident60.9Low68 Ų68144.1 Ų144.148%0.47669%0.694SS.*  trans-39.1130.3176.5166.30000110.5Q351 R355 R356 R357Q351-S353 PolarHBondContact O-N 3.19Å; Q351-S353 VanDerWaalsContact O-N 3.08Å; S353-R355 PolarHBondContact O-N 3.07Å; S353-R355 VanDerWaalsContact O-N 3.07Å; S353-R355 WeakPolarHBondContact OG-CB 3.3Å; S353-R355 PolarHBondContact OG-N 3.35Å; S353-R356 WeakPolarHBondContact O-CB 3.47Å; S353-R356 PolarHBondContact O-N 3.01Å; S353-R357 PolarHBondContact O-N 2.92Å
354F66.5Low62.3Low153 Ų153144.5 Ų144.567%0.67170%0.699SS**Hα-helixtrans-47.5-37.1176.4-178.9-100.7000111.7K352 R356 R357 L358K352-F354 PolarHBondContact O-N 3.29Å; F354-R356 PolarHBondContact O-N 3.45Å; F354-R357 WeakPolarHBondContact O-CA 3.43Å; F354-R357 WeakPolarHBondContact O-CB 3.37Å; F354-R357 PolarHBondContact O-N 3.41Å; F354-L358 HydrophobicContact CD1-CD1 4.27Å; F354-L358 HydrophobicContact CE1-CD1 3.44Å; F354-L358 VanDerWaalsContact CE1-CD1 3.44Å; F354-L358 HydrophobicContact CZ-CD1 3.66Å; F354-L358 PolarHBondContact O-N 3.45Å
355R70.7Confident63Low186 Ų186144.1 Ų144.170%0.70269%0.687SS**Hα-helixtrans-54.6-45.1173.9-171.5177.9176.1-169.6-1.8112.8S353 R357 L358 L359S353-R355 PolarHBondContact O-N 3.07Å; S353-R355 VanDerWaalsContact O-N 3.07Å; S353-R355 WeakPolarHBondContact OG-CB 3.3Å; S353-R355 PolarHBondContact OG-N 3.35Å; R355-R357 VanDerWaalsContact C-N 3.28Å; R355-R357 PolarHBondContact O-N 3.1Å; R355-L358 PolarHBondContact O-N 3.34Å; R355-L359 HydrophobicContact CG-CD1 4.09Å; R355-L359 HydrophobicContact CG-CG 4.48Å; R355-L359 WeakPolarHBondContact O-CB 3.4Å; R355-L359 WeakPolarHBondContact O-CG 3.31Å; R355-L359 PolarHBondContact O-N 3.11Å
356R69.7Low63.7Low189 Ų189140.7 Ų140.771%0.71367%0.67SS**Hα-helixtrans-68-27.6177.4-77.1-174.6167.3179.1-4.7112.9S353 F354S353-R356 WeakPolarHBondContact O-CB 3.47Å; S353-R356 PolarHBondContact O-N 3.01Å; F354-R356 PolarHBondContact O-N 3.45Å
357R72Confident64.1Low147 Ų147142 Ų14256%0.55567%0.667SS**Hα-helixtrans-75.7-38.1176.7-156.6179.3-56.6-179.15.2110.9S353 F354 R355 K360 F361S353-R357 PolarHBondContact O-N 2.92Å; F354-R357 WeakPolarHBondContact O-CA 3.43Å; F354-R357 WeakPolarHBondContact O-CB 3.37Å; F354-R357 PolarHBondContact O-N 3.41Å; R355-R357 VanDerWaalsContact C-N 3.28Å; R355-R357 PolarHBondContact O-N 3.1Å; R357-K360 WeakPolarHBondContact O-CB 3.3Å; R357-F361 WeakPolarHBondContact O-CD2 3.35Å; R357-F361 VanDerWaalsContact O-CE2 3.27Å; R357-F361 WeakPolarHBondContact O-CE2 3.43Å
358L70.4Confident64Low88 Ų88135.7 Ų135.746%0.46166%0.657SS.*Hα-helixtrans-73.1-39.9-179.2-152.1127.9000112.2F354 R355 K360 F361F354-L358 HydrophobicContact CD1-CD1 4.27Å; F354-L358 HydrophobicContact CE1-CD1 3.44Å; F354-L358 VanDerWaalsContact CE1-CD1 3.44Å; F354-L358 HydrophobicContact CZ-CD1 3.66Å; F354-L358 PolarHBondContact O-N 3.45Å; R355-L358 PolarHBondContact O-N 3.34Å; L358-K360 PolarHBondContact O-N 3.27Å; L358-F361 PolarHBondContact O-N 3.43Å; L358-F361 VanDerWaalsContact O-N 3.1Å
359L69.9Low63.7Low44 Ų44135.2 Ų135.223%0.2366%0.662CS.*Hα-helixtrans-62-25.1177.1-70.9174.3000113.6R355 F361 I362 L365 N366R355-L359 HydrophobicContact CG-CD1 4.09Å; R355-L359 HydrophobicContact CG-CG 4.48Å; R355-L359 WeakPolarHBondContact O-CB 3.4Å; R355-L359 WeakPolarHBondContact O-CG 3.31Å; R355-L359 PolarHBondContact O-N 3.11Å; L359-F361 PolarHBondContact O-N 3.41Å; L359-I362 HydrophobicContact CD2-CD1 4.49Å; L359-I362 PolarHBondContact O-N 3.41Å; L359-L365 HydrophobicContact CD2-CB 4.4Å; L359-L365 HydrophobicContact CD2-CD2 3.44Å; L359-L365 VanDerWaalsContact CD2-CD2 3.44Å; L359-N366 PolarHBondContact O-OD1 2.75Å; L359-N366 VanDerWaalsContact O-OD1 3.11Å
360K71.5Confident63.7Low156 Ų156138.1 Ų138.168%0.67867%0.666SS**THydrogen-bonded Turntrans-62.8-24.1176.1-165.4177.3177-173.50112.9R357 L358R357-K360 WeakPolarHBondContact O-CB 3.3Å; L358-K360 PolarHBondContact O-N 3.27Å
361F69.6Low63.3Low167 Ų167137.7 Ų137.773%0.73267%0.667SS**THydrogen-bonded Turntrans-94.8-0.2-178.3-61.4-78.6000113.7R357 L358 L359 P363R357-F361 WeakPolarHBondContact O-CD2 3.35Å; R357-F361 VanDerWaalsContact O-CE2 3.27Å; R357-F361 WeakPolarHBondContact O-CE2 3.43Å; L358-F361 PolarHBondContact O-N 3.43Å; L358-F361 VanDerWaalsContact O-N 3.1Å; L359-F361 PolarHBondContact O-N 3.41Å; F361-P363 WeakPolarHBondContact O-CD 3.25Å
362I73.3Confident62.9Low71 Ų71137.6 Ų137.636%0.36467%0.666SS.*SBendtrans-105104.8176.4-54.1177.1000108.3L359 G364 L365L359-I362 HydrophobicContact CD2-CD1 4.49Å; L359-I362 PolarHBondContact O-N 3.41Å; I362-G364 PolarHBondContact O-N 3.39Å; I362-L365 HydrophobicContact CB-CB 4.34Å; I362-L365 HydrophobicContact CG2-CB 4.26Å; I362-L365 HydrophobicContact CG2-CD1 4.04Å; I362-L365 PolarHBondContact O-N 3.12Å
363P56.7Low62.2Low126 Ų126138.7 Ų138.782%0.81867%0.674SS**THydrogen-bonded Turntrans-60.9129.9177.821.7-28.6000110.3F361F361-P363 WeakPolarHBondContact O-CD 3.25Å
364G66.6Low61Low75 Ų75140.9 Ų140.977%0.77369%0.689SS**THydrogen-bonded Turntrans100.9-18.3-178.500000115.9I362I362-G364 PolarHBondContact O-N 3.39Å
365L62.7Low59.8Low105 Ų105143.5 Ų143.555%0.5570%0.7SS.*  trans-98.36.5-175.3-115.6113000115.4L359 I362L359-L365 HydrophobicContact CD2-CB 4.4Å; L359-L365 HydrophobicContact CD2-CD2 3.44Å; L359-L365 VanDerWaalsContact CD2-CD2 3.44Å; I362-L365 HydrophobicContact CB-CB 4.34Å; I362-L365 HydrophobicContact CG2-CB 4.26Å; I362-L365 HydrophobicContact CG2-CD1 4.04Å; I362-L365 PolarHBondContact O-N 3.12Å
366N55.8Low58.2Low94 Ų94146.6 Ų146.650%0.50373%0.729SS.*  trans-93.49-178.8-70.9-42.5000114.5L359 P368L359-N366 PolarHBondContact O-OD1 2.75Å; L359-N366 VanDerWaalsContact O-OD1 3.11Å; N366-P368 VanDerWaalsContact O-CD 3.3Å; N366-P368 WeakPolarHBondContact O-CD 3.2Å
367R58.2Low57.7Low213 Ų213144.5 Ų144.580%0.80473%0.73SS**  trans-84.3116.1175-77-169.6180-1651.1110.3L369R367-L369 PolarHBondContact O-N 3.04Å
368P46.6Very low56.9Low111 Ų111144.4 Ų144.472%0.72174%0.739SS**  trans-63.1129.4164.426.7-30.4000108.8N366 E370N366-P368 VanDerWaalsContact O-CD 3.3Å; N366-P368 WeakPolarHBondContact O-CD 3.2Å; P368-E370 PolarHBondContact O-N 3.1Å
369L45.3Very low56.2Low178 Ų178147.5 Ų147.593%0.93276%0.755SS**THydrogen-bonded Turntrans-83.358.9-174.5-153.4141.4000109.9R367R367-L369 PolarHBondContact O-N 3.04Å
370E50.6Low55.3Low186 Ų186153.6 Ų153.687%0.86979%0.786SS**THydrogen-bonded Turntrans-135.21.7177-78.5-172.3170.300114.7P368P368-E370 PolarHBondContact O-N 3.1Å
371E52.3Low54.3Low190 Ų190153.4 Ų153.489%0.88879%0.792SS**  trans-126.356.8179.6-73.7-175.4162.100112.8
372E52.2Low53.3Low180 Ų180152.5 Ų152.584%0.84180%0.796SS**SBendtrans-131.627166-125.5-175.2-154.700114.2
373E51Low51.9Low186 Ų186158.4 Ų158.487%0.86983%0.827SS**SBendtrans-133.672.9164.6-72.4-169.2176.900110
374S50.1Low51.5Low113 Ų113160.8 Ų160.879%0.7983%0.828SS**  trans-174.687.7159.4-81.40000110.2
375K40.5Very low50.3Low209 Ų209168 Ų16891%0.90983%0.832SS**  trans174.776.8144.2-93160.1-169.3-171.60108.5
376L38Very low49.1Very low251 Ų251173.7 Ų173.7100%1.31486%0.858SS**  trans-77.20135.3-80.7166.7000107.8

Retrieved 376 of 376 residues in 110.6 ms (Link to these results)