A0A096MV66_PAPAN Loading...

Scavenger receptor class A member 5

Ferritin receptor that mediates non-transferrin-dependent delivery of iron. Mediates cellular uptake of ferritin-bound iron by stimulating ferritin endocytosis from the cell surface with consequent iron delivery within the cell. Delivery of iron to cells by ferritin is required for the development of specific cell types, suggesting the existence of cell type-specific mechanisms of iron traffic in organogenesis, which alternatively utilize transferrin or non-transferrin iron delivery pathways. Ferritin mediates iron uptake in capsule cells of the developing kidney. Binds preferrentially ferritin light chain (FTL) compared to heavy chain (FTH1).

AlphaFold DB (I2CV85), UniProt , Accession A0A096MV66, Species PAPAN (Papio anubis, Olive baboon), Gene SCARA5, Length 495 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
1M32.8Very low31.5Very low220 Ų220153.4 Ų153.4100%1.08478%0.775SS**  070.70-55.3-63.7-99.300106.7
2E37.7Very low31.1Very low160 Ų160150.4 Ų150.475%0.74878%0.779SS**  64.9102.480.2-68.9-176.915100112.5
3N28.5Very low31.2Very low138 Ų138148.9 Ų148.974%0.73877%0.773SS**  161.2113.4105-84.1-29.9000108.3
4K29.4Very low31Very low195 Ų195146.9 Ų146.985%0.84878%0.776SS**  55.4127.273.9-98.4-179.9177.4177.20113.7
5A35Very low31Very low91 Ų91147 Ų14775%0.75278%0.777SS**  trans75.7147.5150.500000115.3
6M29.6Very low31.7Very low139 Ų139145.9 Ų145.969%0.68578%0.778SS**  cis169.6129.4-0.1163.4-174.3-66.300103.6
7Y27.6Very low32.3Very low245 Ų245144.6 Ų144.696%0.96178%0.784SS**  trans-143.389.5147.1-96.7-75.4000107.4
8L34Very low32.3Very low133 Ų133142.1 Ų142.170%0.69678%0.779SS**  trans-112.1144.3156.2-129.3162000104.8
9H32.4Very low32.3Very low152 Ų152142.4 Ų142.470%0.70478%0.777SS**  trans152.9128.8151.9-86-60.8000107.4
10T28.2Very low32.1Very low125 Ų125140.5 Ų140.577%0.76777%0.774SS**  cis-151.5135.832.7420000107.7
11V31.7Very low32.1Very low89 Ų89142 Ų14254%0.53978%0.775SS.*  67.511153.4-173.80000114
12S26.8Very low31.9Very low118 Ų118139.1 Ų139.183%0.82576%0.764SS**  trans-141.493.1139.5-50.30000104.4
13D31.8Very low31.7Very low131 Ų131136.7 Ų136.770%0.70177%0.765SS**  76.696.896.4-74.6-14.7000112.6
14C28.3Very low31.8Very low121 Ų121139.1 Ų139.182%0.81877%0.769SS**  trans-136.4107151.4-97.10000107.1
15D31.7Very low32.1Very low148 Ų148136 Ų13679%0.79176%0.761SS**  trans-63.3144.8178.7-80.9-44.2000112.5
16T41.8Very low32.4Very low129 Ų129134.8 Ų134.879%0.79176%0.759SS**SBendtrans-57140.9164.933.70000112.2
17S42Very low32.9Very low125 Ų125138.2 Ų138.287%0.87476%0.764SS**SBendtrans95.539.617278.40000118.5
18S31.3Very low33.2Very low99 Ų99131.9 Ų131.969%0.69276%0.755SS**SBendtrans-157.4140.6143.2540000110.3C20S18-C20 PolarHBondContact O-N 2.92Å; S18-C20 VanDerWaalsContact O-N 3.12Å
19I32.7Very low33.4Very low147 Ų147133.1 Ų133.175%0.75476%0.762SS**  trans-46.8113.6168.4-67.4157.5000109E21I19-E21 HydrophobicContact CG2-CB 4.37Å; I19-E21 HydrophobicContact CG2-CG 3.85Å; I19-E21 PolarHBondContact O-N 3.39Å
20C28.7Very low33.8Very low104 Ų104131.1 Ų131.170%0.70377%0.765SS**  trans-84.389.1157.9-74.70000107S18 D22S18-C20 PolarHBondContact O-N 2.92Å; S18-C20 VanDerWaalsContact O-N 3.12Å; C20-D22 PolarHBondContact O-N 3.24Å
21E32.8Very low34.2Very low173 Ų173134.7 Ų134.781%0.80877%0.77SS**  trans-65.2101.5155.3-92.3174.113100107.2I19 S23I19-E21 HydrophobicContact CG2-CB 4.37Å; I19-E21 HydrophobicContact CG2-CG 3.85Å; I19-E21 PolarHBondContact O-N 3.39Å; E21-S23 VanDerWaalsContact C-N 3.33Å; E21-S23 PolarHBondContact O-N 2.97Å; E21-S23 VanDerWaalsContact O-N 3.09Å
22D27.5Very low34.5Very low160 Ų160137.5 Ų137.586%0.85678%0.781SS**  trans-69.6102.5154.3-85.2-29.4000106.8C20 F24C20-D22 PolarHBondContact O-N 3.24Å; D22-F24 PolarHBondContact O-N 3.32Å
23S33.5Very low35.3Very low108 Ų108139.5 Ų139.576%0.75578%0.782SS**  trans-58.7104.2167.1-165.60000107.6E21 D25E21-S23 VanDerWaalsContact C-N 3.33Å; E21-S23 PolarHBondContact O-N 2.97Å; E21-S23 VanDerWaalsContact O-N 3.09Å; S23-D25 VanDerWaalsContact C-N 3.28Å; S23-D25 PolarHBondContact O-N 3.48Å
24F31.3Very low35.9Very low190 Ų190140 Ų14083%0.83378%0.784SS**  trans-67.593.9172.1-162.3-94.6000107.5D22 G26D22-F24 PolarHBondContact O-N 3.32Å; F24-G26 PolarHBondContact O-N 3.4Å
25D35.3Very low36.1Very low128 Ų128140.1 Ų140.168%0.68479%0.785SS**  trans-63.5105.2176.7-143.8-10.7000107.6S23 R27S23-D25 VanDerWaalsContact C-N 3.28Å; S23-D25 PolarHBondContact O-N 3.48Å; D25-R27 PolarHBondContact O-N 3.01Å
26G40.8Very low36.5Very low67 Ų67142.7 Ų142.769%0.69179%0.792SS**  trans-70.349.5-173.200000113.9F24F24-G26 PolarHBondContact O-N 3.4Å
27R40Very low36.3Very low211 Ų211144.6 Ų144.680%0.79680%0.798SS**  trans-127.960177.3-68.6-170-146-131.51.5112D25D25-R27 PolarHBondContact O-N 3.01Å
28S35.4Very low36.4Very low112 Ų112141.3 Ų141.378%0.78378%0.784SS**SBendtrans-160.333.6150.4-158.50000114.3
29L38.2Very low36.8Very low159 Ų159142.8 Ų142.883%0.83279%0.791SS**  trans-101.619.9164.3-69.3178.1000112.4K31L29-K31 VanDerWaalsContact C-N 3.32Å; L29-K31 PolarHBondContact O-N 3.16Å
30S39.1Very low36.9Very low109 Ų109142.1 Ų142.176%0.76280%0.798SS**THydrogen-bonded Turntrans-92.344.2178.8-45.60000112.7
31K37.6Very low37.4Very low200 Ų200145.5 Ų145.587%0.8780%0.803SS**THydrogen-bonded Turntrans-14428.8170.5-77-166.8179.9169.80114.4L29L29-K31 VanDerWaalsContact C-N 3.32Å; L29-K31 PolarHBondContact O-N 3.16Å
32L37.7Very low38.1Very low149 Ų149146.3 Ų146.378%0.7880%0.804SS**  trans-98.588.4154.7-95.3131.5000107.6L34L32-L34 HydrophobicContact CD2-CD1 4.31Å; L32-L34 PolarHBondContact O-N 3.4Å
33N43.8Very low38.6Very low160 Ų160150.1 Ų150.186%0.85681%0.806SS**  trans-60102.5166-79.5-22.6000108.6
34L44.5Very low38.6Very low142 Ų142156.6 Ų156.674%0.74381%0.814SS**  trans-133.4105.8155.3-94.5108.4000108.9L32L32-L34 HydrophobicContact CD2-CD1 4.31Å; L32-L34 PolarHBondContact O-N 3.4Å
35C32.5Very low38.9Very low123 Ų123152.3 Ų152.383%0.83181%0.814SS**  trans58.4105161.8-58.20000117.3
36E39.5Very low39.3Very low201 Ų201151.9 Ų151.994%0.93982%0.82SS**  trans-82.9134.4166.4-151.9175.1-172.500109.8
37D39.1Very low39.4Very low169 Ų169154.8 Ų154.890%0.90483%0.831SS**  trans-73.4131-175.2-75.7-54.9000113.5
38G43.4Very low39.1Very low57 Ų57150.7 Ų150.759%0.58883%0.833SS**  trans-131.9148162.900000110.6C40G38-C40 PolarHBondContact O-N 3.5Å
39P39.9Very low39.2Very low129 Ų129151 Ų15184%0.83883%0.834SS**  trans-74.3113.9-164.828-32.8000112.9H41P39-H41 PolarHBondContact O-N 3.5Å
40C34.4Very low39.4Very low133 Ų133150.3 Ų150.390%0.89984%0.836SS**  trans-77.1108.6174.4-94.30000112G38G38-C40 PolarHBondContact O-N 3.5Å
41H39.6Very low40Very low176 Ų176152.9 Ų152.982%0.81584%0.836SS**  trans-90.4120.1163.1-87.1-54.9000111.8P39P39-H41 PolarHBondContact O-N 3.5Å
42K46.3Very low40.4Very low189 Ų189152.3 Ų152.382%0.82284%0.841SS**SBendtrans29.6102.1151.1-67.5-179.8178.5175.30117.9
43R38.1Very low40.8Very low240 Ų240147.3 Ų147.391%0.90683%0.826SS**  163.2139.9110.4-90.5173.8-174.6-174.92.7111.9
44R33.3Very low41.5Very low245 Ų245143.8 Ų143.893%0.92581%0.814SS**  trans80.5112.6167.8-68.5179.9175.4171.9-1.7116.8
45A39.6Very low42.2Very low100 Ų100143.1 Ų143.183%0.82681%0.811SS**  trans-73.5124.8172.700000110.9
46S43.1Very low43.6Very low118 Ų118140.5 Ų140.583%0.82579%0.794SS**  164.388.5124.161.30000109.5
47S42.6Very low44.8Very low129 Ų129133.6 Ų133.690%0.90277%0.771SS**  trans161.699.4149.9-1740000107.9
48C34.1Very low46.3Very low124 Ų124130.9 Ų130.984%0.83876%0.756SS**  trans-145131.4162.6-157.60000107.8
49C36.8Very low47.8Very low120 Ų120135 Ų13581%0.81176%0.758SS**  trans-34.2123.2-169.3-62.80000116.8
50T43Very low49.7Very low144 Ų144135.4 Ų135.488%0.88375%0.748SS**  trans-87.496.9159.250.30000109.4
51Q51.6Low51.8Low163 Ų163132 Ų13276%0.76273%0.73SS**  trans-14868.2168.3-146169.7-1.200111.6
52L45.9Very low53.9Low187 Ų187126.9 Ų126.998%0.97971%0.711SS**  trans-133.193.6158.6-105.3109.8000108
53G45.4Very low55.9Low45 Ų45123.6 Ų123.646%0.46470%0.701SS.*SBendtrans-175.1-20.6177.800000114S56 A57G53-S56 PolarHBondContact O-OG 3.34Å; G53-A57 VanDerWaalsContact O-CB 3.3Å; G53-A57 WeakPolarHBondContact O-CB 3.32Å; G53-A57 PolarHBondContact O-N 3.49Å
54S58.5Low58.2Low86 Ų86114.1 Ų114.160%0.60168%0.678SS**Hα-helixtrans-80.1-32.3-173.1175.50000114.2L58S54-L58 WeakPolarHBondContact O-CB 3.45Å; S54-L58 PolarHBondContact O-N 2.99Å
55L59.1Low60.8Low128 Ų128107.9 Ų107.967%0.6766%0.663SS**Hα-helixtrans-79.8-33.1-174.5-139.7119000113K59L55-K59 WeakPolarHBondContact O-CG 3.29Å; L55-K59 PolarHBondContact O-N 3.46Å
56S63.1Low63.3Low68 Ų68111.2 Ų111.248%0.47666%0.655SS.*Hα-helixtrans-69.3-45.3169.853.90000110.2G53 L58 K59 H60G53-S56 PolarHBondContact O-OG 3.34Å; S56-L58 VanDerWaalsContact C-N 3.29Å; S56-L58 PolarHBondContact O-N 3.48Å; S56-K59 PolarHBondContact O-N 3.1Å; S56-K59 VanDerWaalsContact O-N 3.15Å; S56-H60 PolarHBondContact O-N 2.72Å; S56-H60 PolarHBondContact O-ND1 3.49Å
57A63.4Low65.6Low56 Ų56110.3 Ų110.346%0.46364%0.641SS.*Hα-helixtrans-57.5-41176.900000112.4G53 H60 A61G53-A57 VanDerWaalsContact O-CB 3.3Å; G53-A57 WeakPolarHBondContact O-CB 3.32Å; G53-A57 PolarHBondContact O-N 3.49Å; A57-H60 PolarHBondContact O-N 2.96Å; A57-A61 WeakPolarHBondContact O-CB 3.45Å; A57-A61 PolarHBondContact O-N 3.11Å
58L70.3Confident67.9Low111 Ų111109 Ų10958%0.58162%0.623SS**Hα-helixtrans-64.6-43.2176.6-171.568000112.1S54 S56 H60 A61 V62S54-L58 WeakPolarHBondContact O-CB 3.45Å; S54-L58 PolarHBondContact O-N 2.99Å; S56-L58 VanDerWaalsContact C-N 3.29Å; S56-L58 PolarHBondContact O-N 3.48Å; L58-H60 VanDerWaalsContact C-N 3.31Å; L58-H60 PolarHBondContact O-N 3.06Å; L58-A61 PolarHBondContact O-N 3Å; L58-V62 VanDerWaalsContact O-CG2 3.3Å; L58-V62 WeakPolarHBondContact O-CG2 3.46Å; L58-V62 PolarHBondContact O-N 3.47Å
59K76.4Confident70.5Confident144 Ų144106.6 Ų106.663%0.62660%0.604SS**Hα-helixtrans-60.6-40.9175.8-74.9179.9176.6-175.60112L55 S56 L63L55-K59 WeakPolarHBondContact O-CG 3.29Å; L55-K59 PolarHBondContact O-N 3.46Å; S56-K59 PolarHBondContact O-N 3.1Å; S56-K59 VanDerWaalsContact O-N 3.15Å; K59-L63 WeakPolarHBondContact O-CB 3.35Å; K59-L63 PolarHBondContact O-N 3.41Å
60H79.7Confident73.1Confident137 Ų137107 Ų10763%0.63459%0.593SS**Hα-helixtrans-72.8-34.5179-67.768.8000112S56 A57 L58 L63 G64S56-H60 PolarHBondContact O-N 2.72Å; S56-H60 PolarHBondContact O-ND1 3.49Å; A57-H60 PolarHBondContact O-N 2.96Å; L58-H60 VanDerWaalsContact C-N 3.31Å; L58-H60 PolarHBondContact O-N 3.06Å; H60-L63 PolarHBondContact O-N 2.94Å; H60-G64 PolarHBondContact O-N 3.26Å
61A77.8Confident75.4Confident62 Ų62105 Ų10551%0.51258%0.576SS.*Hα-helixtrans-64.9-43.5174.300000111.9A57 L58 G64 L65A57-A61 WeakPolarHBondContact O-CB 3.45Å; A57-A61 PolarHBondContact O-N 3.11Å; L58-A61 PolarHBondContact O-N 3Å; A61-G64 PolarHBondContact O-N 3.34Å; A61-L65 PolarHBondContact O-N 3.12Å
62V84Confident77.2Confident69 Ų69101.6 Ų101.642%0.41856%0.562SS.*Hα-helixtrans-64.3-45.5175.7173.40000110.6L58 G64 L65 Y66L58-V62 VanDerWaalsContact O-CG2 3.3Å; L58-V62 WeakPolarHBondContact O-CG2 3.46Å; L58-V62 PolarHBondContact O-N 3.47Å; V62-G64 VanDerWaalsContact C-N 3.29Å; V62-G64 PolarHBondContact O-N 3.08Å; V62-L65 WeakPolarHBondContact O-CB 3.45Å; V62-L65 PolarHBondContact O-N 3.25Å; V62-Y66 HydrophobicContact CG1-CD2 3.8Å; V62-Y66 HydrophobicContact CG1-CE2 3.55Å; V62-Y66 WeakPolarHBondContact O-CD2 3.33Å; V62-Y66 PolarHBondContact O-N 3.12Å
63L88.1Confident79.2Confident120 Ų12097.8 Ų97.863%0.62854%0.542SS*.Hα-helixtrans-60.6-40.2176.2-149.186.2000111.8K59 H60 Y66 L67K59-L63 WeakPolarHBondContact O-CB 3.35Å; K59-L63 PolarHBondContact O-N 3.41Å; H60-L63 PolarHBondContact O-N 2.94Å; L63-Y66 PolarHBondContact O-N 2.98Å; L63-L67 WeakPolarHBondContact O-CB 3.47Å; L63-L67 PolarHBondContact O-N 2.96Å
64G87.4Confident81.4Confident41 Ų4198 Ų9842%0.42353%0.534SS..Hα-helixtrans-63-39.7175.400000112.8H60 A61 V62 L67 L68H60-G64 PolarHBondContact O-N 3.26Å; A61-G64 PolarHBondContact O-N 3.34Å; V62-G64 VanDerWaalsContact C-N 3.29Å; V62-G64 PolarHBondContact O-N 3.08Å; G64-L67 PolarHBondContact O-N 2.97Å; G64-L68 WeakPolarHBondContact O-CB 3.4Å; G64-L68 PolarHBondContact O-N 2.75Å
65L87.3Confident82.7Confident114 Ų11495.3 Ų95.360%0.59752%0.52SS*.Hα-helixtrans-64.3-44.3175.7-162.586.8000111.5A61 V62 L67 L68 V69A61-L65 PolarHBondContact O-N 3.12Å; V62-L65 WeakPolarHBondContact O-CB 3.45Å; V62-L65 PolarHBondContact O-N 3.25Å; L65-L67 VanDerWaalsContact C-N 3.34Å; L65-L67 PolarHBondContact O-N 2.86Å; L65-L68 PolarHBondContact O-N 3.33Å; L65-V69 WeakPolarHBondContact O-CG2 3.46Å; L65-V69 PolarHBondContact O-N 3.43Å
66Y91.3Very high83.7Confident170 Ų17093.9 Ų93.967%0.66751%0.512SS*.Hα-helixtrans-62.6-41.3176.3-81.7-70.9000112.3V62 L63 V69 F70V62-Y66 HydrophobicContact CG1-CD2 3.8Å; V62-Y66 HydrophobicContact CG1-CE2 3.55Å; V62-Y66 WeakPolarHBondContact O-CD2 3.33Å; V62-Y66 PolarHBondContact O-N 3.12Å; L63-Y66 PolarHBondContact O-N 2.98Å; Y66-V69 PolarHBondContact O-N 3.46Å; Y66-F70 WeakPolarHBondContact O-CB 3.45Å; Y66-F70 PolarHBondContact O-N 2.91Å
67L92.1Very high84.5Confident99 Ų9997.4 Ų97.452%0.51852%0.519SS..Hα-helixtrans-68.4-37.4179.2-150.9150.5000111.3L63 G64 L65 F70 L71L63-L67 WeakPolarHBondContact O-CB 3.47Å; L63-L67 PolarHBondContact O-N 2.96Å; G64-L67 PolarHBondContact O-N 2.97Å; L65-L67 VanDerWaalsContact C-N 3.34Å; L65-L67 PolarHBondContact O-N 2.86Å; L67-F70 PolarHBondContact O-N 3.36Å; L67-L71 HydrophobicContact CD2-CD1 3.69Å; L67-L71 HydrophobicContact CD2-CG 4.05Å; L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 VanDerWaalsContact O-CG 3.31Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 2.82Å
68L89.9Confident85.2Confident102 Ų10299.1 Ų99.153%0.53452%0.519SS..Hα-helixtrans-61.8-49.4173.2-171.289.8000111.6G64 L65 F70 L71 I72G64-L68 WeakPolarHBondContact O-CB 3.4Å; G64-L68 PolarHBondContact O-N 2.75Å; L65-L68 PolarHBondContact O-N 3.33Å; L68-F70 VanDerWaalsContact C-N 3.3Å; L68-F70 PolarHBondContact O-N 3.19Å; L68-L71 PolarHBondContact O-N 2.89Å; L68-I72 HydrophobicContact CD2-CD1 4.28Å; L68-I72 HydrophobicContact CG-CD1 4.11Å; L68-I72 VanDerWaalsContact O-CG1 3.3Å; L68-I72 WeakPolarHBondContact O-CG1 3.41Å; L68-I72 PolarHBondContact O-N 3.18Å
69V89.9Confident85.2Confident72 Ų7299.6 Ų99.644%0.43652%0.522SS..Hα-helixtrans-61.3-41.7178172.70000110.7L65 Y66 I72 L73L65-V69 WeakPolarHBondContact O-CG2 3.46Å; L65-V69 PolarHBondContact O-N 3.43Å; Y66-V69 PolarHBondContact O-N 3.46Å; V69-I72 PolarHBondContact O-N 3.49Å; V69-L73 HydrophobicContact CG1-CD1 4.14Å; V69-L73 WeakPolarHBondContact O-CG 3.44Å; V69-L73 PolarHBondContact O-N 3.17Å
70F91.8Very high84.7Confident130 Ų13095.8 Ų95.857%0.5752%0.517SS*.Hα-helixtrans-61.2-45.7175.3-179.1-99.3000112.2Y66 L67 L68 I72 L73 V74Y66-F70 WeakPolarHBondContact O-CB 3.45Å; Y66-F70 PolarHBondContact O-N 2.91Å; L67-F70 PolarHBondContact O-N 3.36Å; L68-F70 VanDerWaalsContact C-N 3.3Å; L68-F70 PolarHBondContact O-N 3.19Å; F70-I72 VanDerWaalsContact C-N 3.33Å; F70-I72 PolarHBondContact O-N 3.44Å; F70-L73 PolarHBondContact O-N 2.96Å; F70-V74 HydrophobicContact CD1-CG2 4.13Å; F70-V74 HydrophobicContact CE1-CG2 3.74Å; F70-V74 HydrophobicContact CE2-CG2 4.24Å; F70-V74 HydrophobicContact CZ-CG2 3.81Å; F70-V74 VanDerWaalsContact O-CG2 3.32Å; F70-V74 WeakPolarHBondContact O-CG2 3.37Å; F70-V74 PolarHBondContact O-N 3.32Å
71L90.1Very high84Confident102 Ų10293.9 Ų93.953%0.53452%0.515SS..Hα-helixtrans-64.5-36176.9-72.5175.2000112.6L67 L68 V74 G75L67-L71 HydrophobicContact CD2-CD1 3.69Å; L67-L71 HydrophobicContact CD2-CG 4.05Å; L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 VanDerWaalsContact O-CG 3.31Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 2.82Å; L68-L71 PolarHBondContact O-N 2.89Å; L71-V74 PolarHBondContact O-N 3.41Å; L71-G75 PolarHBondContact O-N 2.96Å
72I89Confident83Confident91 Ų9194.6 Ų94.647%0.46752%0.516SS..Hα-helixtrans-64.6-45.3173.8-68.5164.9000110.2L68 V69 F70 G75 I76L68-I72 HydrophobicContact CD2-CD1 4.28Å; L68-I72 HydrophobicContact CG-CD1 4.11Å; L68-I72 VanDerWaalsContact O-CG1 3.3Å; L68-I72 WeakPolarHBondContact O-CG1 3.41Å; L68-I72 PolarHBondContact O-N 3.18Å; V69-I72 PolarHBondContact O-N 3.49Å; F70-I72 VanDerWaalsContact C-N 3.33Å; F70-I72 PolarHBondContact O-N 3.44Å; I72-G75 PolarHBondContact O-N 3.2Å; I72-I76 HydrophobicContact CG2-CD1 3.78Å; I72-I76 HydrophobicContact CG2-CG1 4.4Å; I72-I76 WeakPolarHBondContact O-CB 3.45Å; I72-I76 VanDerWaalsContact O-CG1 3.25Å; I72-I76 WeakPolarHBondContact O-CG1 3.4Å; I72-I76 PolarHBondContact O-N 3.09Å
73L88.1Confident81.3Confident106 Ų106100.6 Ų100.656%0.55553%0.531SS*.Hα-helixtrans-63.9-41.6177.4-71.8171.2000112.1V69 F70 G75 I76 F77V69-L73 HydrophobicContact CG1-CD1 4.14Å; V69-L73 WeakPolarHBondContact O-CG 3.44Å; V69-L73 PolarHBondContact O-N 3.17Å; F70-L73 PolarHBondContact O-N 2.96Å; L73-G75 VanDerWaalsContact C-N 3.35Å; L73-I76 PolarHBondContact O-N 3.28Å; L73-F77 VanDerWaalsContact O-CB 3.31Å; L73-F77 WeakPolarHBondContact O-CB 3.39Å; L73-F77 PolarHBondContact O-N 2.98Å
74V92.4Very high79.1Confident51 Ų51100.3 Ų100.331%0.30954%0.536SS..Hα-helixtrans-64.5-40.7173.3172.30000110.7F70 L71 F77 I78F70-V74 HydrophobicContact CD1-CG2 4.13Å; F70-V74 HydrophobicContact CE1-CG2 3.74Å; F70-V74 HydrophobicContact CE2-CG2 4.24Å; F70-V74 HydrophobicContact CZ-CG2 3.81Å; F70-V74 VanDerWaalsContact O-CG2 3.32Å; F70-V74 WeakPolarHBondContact O-CG2 3.37Å; F70-V74 PolarHBondContact O-N 3.32Å; L71-V74 PolarHBondContact O-N 3.41Å; V74-F77 PolarHBondContact O-N 2.92Å; V74-I78 HydrophobicContact CG1-CD1 3.76Å; V74-I78 HydrophobicContact CG1-CG1 4.26Å; V74-I78 WeakPolarHBondContact O-CB 3.34Å; V74-I78 VanDerWaalsContact O-CG1 3.25Å; V74-I78 WeakPolarHBondContact O-CG1 3.35Å; V74-I78 PolarHBondContact O-N 3.35Å
75G85.6Confident77.2Confident29 Ų29108.7 Ų108.730%0.29956%0.555SS.*Hα-helixtrans-62.9-42.917500000112.6L71 I72 L73 I78 L79L71-G75 PolarHBondContact O-N 2.96Å; I72-G75 PolarHBondContact O-N 3.2Å; L73-G75 VanDerWaalsContact C-N 3.35Å; G75-I78 PolarHBondContact O-N 3.35Å; G75-L79 VanDerWaalsContact O-CB 3.31Å; G75-L79 WeakPolarHBondContact O-CB 3.47Å; G75-L79 VanDerWaalsContact O-CG 3.26Å; G75-L79 WeakPolarHBondContact O-CG 3.46Å; G75-L79 PolarHBondContact O-N 3Å
76I79.6Confident75.1Confident98 Ų98107 Ų10750%0.50355%0.553SS.*Hα-helixtrans-64.1-41.8173.9-68.8166.2000110.4I72 L73 L79 A80I72-I76 HydrophobicContact CG2-CD1 3.78Å; I72-I76 HydrophobicContact CG2-CG1 4.4Å; I72-I76 WeakPolarHBondContact O-CB 3.45Å; I72-I76 VanDerWaalsContact O-CG1 3.25Å; I72-I76 WeakPolarHBondContact O-CG1 3.4Å; I72-I76 PolarHBondContact O-N 3.09Å; L73-I76 PolarHBondContact O-N 3.28Å; I76-L79 PolarHBondContact O-N 2.95Å; I76-A80 VanDerWaalsContact O-CB 3.27Å; I76-A80 WeakPolarHBondContact O-CB 3.3Å; I76-A80 PolarHBondContact O-N 3.08Å
77F80.9Confident73.3Confident142 Ų142100.4 Ų100.462%0.62353%0.532SS*.Hα-helixtrans-65.1-45.6176.9-178.1-97.5000111.9L73 V74 L79 A80 V81L73-F77 VanDerWaalsContact O-CB 3.31Å; L73-F77 WeakPolarHBondContact O-CB 3.39Å; L73-F77 PolarHBondContact O-N 2.98Å; V74-F77 PolarHBondContact O-N 2.92Å; F77-L79 VanDerWaalsContact C-N 3.34Å; F77-L79 PolarHBondContact O-N 3.48Å; F77-A80 PolarHBondContact O-N 3.39Å; F77-V81 HydrophobicContact CD1-CG2 4.33Å; F77-V81 HydrophobicContact CE1-CG2 3.99Å; F77-V81 HydrophobicContact CE2-CG2 4.3Å; F77-V81 HydrophobicContact CZ-CG2 3.98Å; F77-V81 WeakPolarHBondContact O-CB 3.34Å; F77-V81 VanDerWaalsContact O-CG2 3.28Å; F77-V81 WeakPolarHBondContact O-CG2 3.44Å; F77-V81 PolarHBondContact O-N 2.89Å
78I78.1Confident71.6Confident91 Ų9198.4 Ų98.447%0.46753%0.525SS..Hα-helixtrans-60.9-45.9173.8-69.8172.1000108.9V74 G75 A80 V81 S82V74-I78 HydrophobicContact CG1-CD1 3.76Å; V74-I78 HydrophobicContact CG1-CG1 4.26Å; V74-I78 WeakPolarHBondContact O-CB 3.34Å; V74-I78 VanDerWaalsContact O-CG1 3.25Å; V74-I78 WeakPolarHBondContact O-CG1 3.35Å; V74-I78 PolarHBondContact O-N 3.35Å; G75-I78 PolarHBondContact O-N 3.35Å; I78-A80 VanDerWaalsContact C-N 3.32Å; I78-A80 PolarHBondContact O-N 3.34Å; I78-V81 CarbonylContact O-C 3.57Å; I78-V81 PolarHBondContact O-N 3.03Å; I78-S82 WeakPolarHBondContact CG2-OG 3.33Å; I78-S82 WeakPolarHBondContact O-CA 3.34Å; I78-S82 WeakPolarHBondContact O-CB 3.42Å; I78-S82 PolarHBondContact O-N 3.16Å; I78-S82 PolarHBondContact O-OG 3.4Å
79L69.6Low70.1Confident121 Ų12198.6 Ų98.663%0.63453%0.526SS*.Hα-helixtrans-63.9-35.8177.2-76.6166.8000112.6G75 I76 F77 R83G75-L79 VanDerWaalsContact O-CB 3.31Å; G75-L79 WeakPolarHBondContact O-CB 3.47Å; G75-L79 VanDerWaalsContact O-CG 3.26Å; G75-L79 WeakPolarHBondContact O-CG 3.46Å; G75-L79 PolarHBondContact O-N 3Å; I76-L79 PolarHBondContact O-N 2.95Å; F77-L79 VanDerWaalsContact C-N 3.34Å; F77-L79 PolarHBondContact O-N 3.48Å; L79-R83 WeakPolarHBondContact O-CG 3.23Å; L79-R83 PolarHBondContact O-N 3.37Å
80A65.6Low68.4Low64 Ų6497.4 Ų97.453%0.52952%0.518SS..Hα-helixtrans-67.1-36.9174.800000112.1I76 F77 I78I76-A80 VanDerWaalsContact O-CB 3.27Å; I76-A80 WeakPolarHBondContact O-CB 3.3Å; I76-A80 PolarHBondContact O-N 3.08Å; F77-A80 PolarHBondContact O-N 3.39Å; I78-A80 VanDerWaalsContact C-N 3.32Å; I78-A80 PolarHBondContact O-N 3.34Å
81V66Low66.8Low98 Ų9895.7 Ų95.759%0.59451%0.514SS*.Hα-helixtrans-83.5-27.6178.4175.80000112.4F77 I78F77-V81 HydrophobicContact CD1-CG2 4.33Å; F77-V81 HydrophobicContact CE1-CG2 3.99Å; F77-V81 HydrophobicContact CE2-CG2 4.3Å; F77-V81 HydrophobicContact CZ-CG2 3.98Å; F77-V81 WeakPolarHBondContact O-CB 3.34Å; F77-V81 VanDerWaalsContact O-CG2 3.28Å; F77-V81 WeakPolarHBondContact O-CG2 3.44Å; F77-V81 PolarHBondContact O-N 2.89Å; I78-V81 CarbonylContact O-C 3.57Å; I78-V81 PolarHBondContact O-N 3.03Å
82S57.1Low65.7Low76 Ų7696.6 Ų96.653%0.53151%0.513SS..Hα-helixtrans-94.8-2.7-176.8-48.40000113.1I78 P84I78-S82 WeakPolarHBondContact CG2-OG 3.33Å; I78-S82 WeakPolarHBondContact O-CA 3.34Å; I78-S82 WeakPolarHBondContact O-CB 3.42Å; I78-S82 PolarHBondContact O-N 3.16Å; I78-S82 PolarHBondContact O-OG 3.4Å; S82-P84 VanDerWaalsContact O-N 3.16Å
83R46.9Very low64.5Low195 Ų19593.5 Ų93.574%0.73650%0.501SS*.SBendtrans-54.1125168.2-91.2-177.1-172.2-171.22.4107.4L79 R85L79-R83 WeakPolarHBondContact O-CG 3.23Å; L79-R83 PolarHBondContact O-N 3.37Å; R83-R85 PolarHBondContact O-N 3.29Å
84P43.4Very low63.4Low114 Ų11490 Ų9074%0.7448%0.483SS*.  trans-59.9113.1-178.824.2-31.6000107.4S82 S86S82-P84 VanDerWaalsContact O-N 3.16Å; P84-S86 VanDerWaalsContact C-N 3.26Å; P84-S86 PolarHBondContact O-N 2.97Å
85R45.6Very low62.2Low218 Ų21891.1 Ų91.182%0.82349%0.49SS*.  trans-60.994.8166.3-76.5178.5170.7146.7-2.3106.4R83 S87R83-R85 PolarHBondContact O-N 3.29Å; R85-S87 PolarHBondContact O-N 2.87Å
86S44.4Very low61.6Low78 Ų7897 Ų9755%0.54550%0.504SS..  trans-57.1112.8164.733.80000108.1P84P84-S86 VanDerWaalsContact C-N 3.26Å; P84-S86 PolarHBondContact O-N 2.97Å
87S52.9Low61.2Low31 Ų3194.3 Ų94.322%0.21749%0.49CS..  trans36.168.6167.865.10000118.1R85 D89 D90 L91R85-S87 PolarHBondContact O-N 2.87Å; S87-D89 PolarHBondContact O-N 3.42Å; S87-D90 VanDerWaalsContact CB-OD2 3.29Å; S87-D90 WeakPolarHBondContact CB-OD2 3.38Å; S87-D90 PolarHBondContact O-N 3.4Å; S87-D90 PolarHBondContact OG-OD2 3.16Å; S87-L91 PolarHBondContact O-N 2.86Å
88P56.4Low60.7Low57 Ų5790.8 Ų90.837%0.3748%0.48SS..Hα-helixtrans-54.6-22.7159.924-31.6000111.8K92P88-K92 WeakPolarHBondContact O-CB 3.42Å; P88-K92 WeakPolarHBondContact O-CD 3.22Å; P88-K92 WeakPolarHBondContact O-CG 3.43Å; P88-K92 PolarHBondContact O-N 2.98Å
89D58.2Low60.3Low107 Ų10790.7 Ų90.757%0.57248%0.48SS*.Hα-helixtrans-78.6-39.1177.3-64.4-39.7000113.9S87 A93S87-D89 PolarHBondContact O-N 3.42Å; D89-A93 VanDerWaalsContact O-CB 3.22Å; D89-A93 WeakPolarHBondContact O-CB 3.46Å; D89-A93 PolarHBondContact O-N 3.19Å
90D55.7Low60.4Low47 Ų4793.9 Ų93.925%0.25148%0.484SS..Hα-helixtrans-74.5-36.5175.6-71-43000111.5S87 A93 L94 R148S87-D90 VanDerWaalsContact CB-OD2 3.29Å; S87-D90 WeakPolarHBondContact CB-OD2 3.38Å; S87-D90 PolarHBondContact O-N 3.4Å; S87-D90 PolarHBondContact OG-OD2 3.16Å; D90-A93 PolarHBondContact O-N 2.84Å; D90-L94 WeakPolarHBondContact O-CB 3.34Å; D90-L94 PolarHBondContact O-N 3.17Å; D90-R148 IonicContact OD1-CZ 2.69Å; D90-R148 IonicContact OD1-NH1 2.91Å; D90-R148 PolarHBondContact OD1-NH1 3.35Å
91L58Low60.4Low94 Ų9492.4 Ų92.449%0.49247%0.467SS..Hα-helixtrans-65.7-44172.6-154.279.4000110.4S87 A93 L94 T95 L149S87-L91 PolarHBondContact O-N 2.86Å; L91-A93 VanDerWaalsContact C-N 3.29Å; L91-A93 PolarHBondContact O-N 3.42Å; L91-L94 PolarHBondContact O-N 3.48Å; L91-T95 PolarHBondContact O-N 3.44Å; L91-T95 PolarHBondContact O-OG1 3.36Å; L91-L149 HydrophobicContact CD1-CD1 4.26Å
92K65.2Low60.6Low120 Ų12091.9 Ų91.952%0.52246%0.461SS..Hα-helixtrans-62.6-33.5171.7-82.9174.1-179.2176.40112.6P88 R96P88-K92 WeakPolarHBondContact O-CB 3.42Å; P88-K92 WeakPolarHBondContact O-CD 3.22Å; P88-K92 WeakPolarHBondContact O-CG 3.43Å; P88-K92 PolarHBondContact O-N 2.98Å; K92-R96 VanDerWaalsContact O-CB 3.23Å; K92-R96 WeakPolarHBondContact O-CB 3.07Å; K92-R96 WeakPolarHBondContact O-CG 3.1Å; K92-R96 PolarHBondContact O-N 2.88Å; K92-R96 PolarHBondContact O-NE 2.9Å; K92-R96 VanDerWaalsContact O-NE 3.16Å
93A65.4Low61.3Low26 Ų2694.1 Ų94.122%0.21546%0.463CS..Hα-helixtrans-70.5-42.3176.200000110.8D89 D90 L91 R96 N97D89-A93 VanDerWaalsContact O-CB 3.22Å; D89-A93 WeakPolarHBondContact O-CB 3.46Å; D89-A93 PolarHBondContact O-N 3.19Å; D90-A93 PolarHBondContact O-N 2.84Å; L91-A93 VanDerWaalsContact C-N 3.29Å; L91-A93 PolarHBondContact O-N 3.42Å; A93-R96 PolarHBondContact O-N 3.01Å; A93-N97 WeakPolarHBondContact O-CB 3.45Å; A93-N97 PolarHBondContact O-N 3.38Å; A93-N97 PolarHBondContact O-ND2 3.43Å; A93-N97 PolarHBondContact O-OD1 2.84Å
94L64.1Low62.4Low32 Ų3286.9 Ų86.917%0.16844%0.442CS..Hα-helixtrans-60.8-50.4173.9-171.574.3000111D90 L91 R96 N97 V98 L142 A145 V146 L149D90-L94 WeakPolarHBondContact O-CB 3.34Å; D90-L94 PolarHBondContact O-N 3.17Å; L91-L94 PolarHBondContact O-N 3.48Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 2.92Å; L94-N97 PolarHBondContact O-N 3.04Å; L94-V98 VanDerWaalsContact O-CG2 3.3Å; L94-V98 WeakPolarHBondContact O-CG2 3.33Å; L94-V98 PolarHBondContact O-N 2.98Å; L94-L142 HydrophobicContact CD1-CD2 3.45Å; L94-L142 VanDerWaalsContact CD1-CD2 3.45Å; L94-L142 HydrophobicContact CD1-CG 3.99Å; L94-L142 HydrophobicContact CG-CD2 4.45Å; L94-A145 HydrophobicContact CD1-CB 3.89Å; L94-V146 HydrophobicContact CD1-CG2 4.04Å; L94-L149 HydrophobicContact CD2-CD1 4.14Å
95T67.5Low63.3Low76 Ų7686.4 Ų86.447%0.46643%0.429SS..Hα-helixtrans-62.6-38.9177.4-44.30000111.8L91 N99L91-T95 PolarHBondContact O-N 3.44Å; L91-T95 PolarHBondContact O-OG1 3.36Å; T95-N99 WeakPolarHBondContact O-CB 3.23Å; T95-N99 PolarHBondContact O-N 3.08Å; T95-N99 PolarHBondContact O-ND2 2.97Å
96R72.8Confident64.3Low153 Ų15383 Ų8358%0.57742%0.416SS*.Hα-helixtrans-64.3-42.2173.9-87.5-178.4-85.2159.2-8.8112.3K92 A93 L94 N99 R100K92-R96 VanDerWaalsContact O-CB 3.23Å; K92-R96 WeakPolarHBondContact O-CB 3.07Å; K92-R96 WeakPolarHBondContact O-CG 3.1Å; K92-R96 PolarHBondContact O-N 2.88Å; K92-R96 PolarHBondContact O-NE 2.9Å; K92-R96 VanDerWaalsContact O-NE 3.16Å; A93-R96 PolarHBondContact O-N 3.01Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 2.92Å; R96-N99 PolarHBondContact O-N 3.21Å; R96-R100 WeakPolarHBondContact O-CB 3.21Å; R96-R100 PolarHBondContact O-N 3.01Å
97N70.5Confident65.3Low41 Ų4182.6 Ų82.622%0.21941%0.408CS..Hα-helixtrans-68.3-41179.5-70.4-11.4000111.6A93 L94 R100 L101 L142A93-N97 WeakPolarHBondContact O-CB 3.45Å; A93-N97 PolarHBondContact O-N 3.38Å; A93-N97 PolarHBondContact O-ND2 3.43Å; A93-N97 PolarHBondContact O-OD1 2.84Å; L94-N97 PolarHBondContact O-N 3.04Å; N97-R100 PolarHBondContact O-N 2.8Å; N97-L101 PolarHBondContact O-N 3.15Å; N97-L142 HydrophobicContact CB-CD1 4.12Å; N97-L142 HydrophobicContact CB-CG 4.31Å
98V70.6Confident65.9Low67 Ų6783.6 Ų83.641%0.40641%0.41SS..Hα-helixtrans-61-45.3173.3172.10000111.1L94 L101 N102 L142L94-V98 VanDerWaalsContact O-CG2 3.3Å; L94-V98 WeakPolarHBondContact O-CG2 3.33Å; L94-V98 PolarHBondContact O-N 2.98Å; V98-L101 PolarHBondContact O-N 3.02Å; V98-N102 WeakPolarHBondContact O-CB 3.37Å; V98-N102 PolarHBondContact O-N 3.24Å; V98-L142 HydrophobicContact CG2-CD1 3.79Å; V98-L142 HydrophobicContact CG2-CD2 3.95Å; V98-L142 HydrophobicContact CG2-CG 4.29Å
99N70.1Confident65.9Low90 Ų9086 Ų8648%0.48142%0.417SS..Hα-helixtrans-66-38.8178.3-72.6-13.4000112.1T95 R96 L101 N102 E103T95-N99 WeakPolarHBondContact O-CB 3.23Å; T95-N99 PolarHBondContact O-N 3.08Å; T95-N99 PolarHBondContact O-ND2 2.97Å; R96-N99 PolarHBondContact O-N 3.21Å; N99-L101 VanDerWaalsContact C-N 3.35Å; N99-N102 PolarHBondContact O-N 2.64Å; N99-E103 WeakPolarHBondContact O-CB 3.28Å; N99-E103 WeakPolarHBondContact O-CG 3.36Å; N99-E103 PolarHBondContact O-N 2.75Å
100R71.1Confident66.1Low187 Ų18785.6 Ų85.671%0.70641%0.414SS*.Hα-helixtrans-61.5-41.9172.9-116.3-179.3-175.4173.4-0.3112.2R96 N97 N102 S104R96-R100 WeakPolarHBondContact O-CB 3.21Å; R96-R100 PolarHBondContact O-N 3.01Å; N97-R100 PolarHBondContact O-N 2.8Å; R100-N102 VanDerWaalsContact C-N 3.35Å; R100-S104 WeakPolarHBondContact O-CB 3.31Å; R100-S104 PolarHBondContact O-N 3.02Å; R100-S104 PolarHBondContact O-OG 3.11Å; R100-S104 VanDerWaalsContact O-OG 3.08Å
101L66.5Low66.5Low33 Ų3391.5 Ų91.517%0.17343%0.433CS..Hα-helixtrans-63.9-42.7177.4-140.4115.3000111.2N97 V98 N99 S104 F105 L139 L142N97-L101 PolarHBondContact O-N 3.15Å; V98-L101 PolarHBondContact O-N 3.02Å; N99-L101 VanDerWaalsContact C-N 3.35Å; L101-S104 WeakPolarHBondContact CA-OG 3.28Å; L101-S104 PolarHBondContact O-N 3.26Å; L101-S104 PolarHBondContact O-OG 3.4Å; L101-F105 WeakPolarHBondContact O-CB 3.45Å; L101-F105 PolarHBondContact O-N 3.31Å; L101-L139 HydrophobicContact CD1-CD2 4.14Å; L101-L139 HydrophobicContact CD1-CG 4.05Å; L101-L139 HydrophobicContact CD2-CD2 4.1Å; L101-L139 HydrophobicContact CD2-CG 4.46Å; L101-L142 HydrophobicContact CD1-CD1 4.33Å
102N70.4Confident66.4Low87 Ų8793 Ų9347%0.46544%0.44SS..Hα-helixtrans-66.4-42.1178.8-167.837.8000112.8V98 N99 R100 F105 R106V98-N102 WeakPolarHBondContact O-CB 3.37Å; V98-N102 PolarHBondContact O-N 3.24Å; N99-N102 PolarHBondContact O-N 2.64Å; R100-N102 VanDerWaalsContact C-N 3.35Å; N102-F105 PolarHBondContact O-N 3.17Å; N102-R106 PolarHBondContact O-N 3.42Å; N102-R106 VanDerWaalsContact O-N 3.11Å
103E72.5Confident65.9Low124 Ų12494.4 Ų94.458%0.57945%0.453SS*.Hα-helixtrans-63.7-45.7174.4-76.4-79.6137.600111.6N99 F105 R106 D107N99-E103 WeakPolarHBondContact O-CB 3.28Å; N99-E103 WeakPolarHBondContact O-CG 3.36Å; N99-E103 PolarHBondContact O-N 2.75Å; E103-F105 VanDerWaalsContact C-N 3.32Å; E103-F105 PolarHBondContact O-N 3.3Å; E103-R106 PolarHBondContact O-N 2.8Å; E103-D107 PolarHBondContact O-N 3.07Å
104S68.7Low65.5Low42 Ų42100.5 Ų100.529%0.29448%0.477SS..Hα-helixtrans-64.2-34.1176.9610000113.1R100 L101 D107 L108 Q135R100-S104 WeakPolarHBondContact O-CB 3.31Å; R100-S104 PolarHBondContact O-N 3.02Å; R100-S104 PolarHBondContact O-OG 3.11Å; R100-S104 VanDerWaalsContact O-OG 3.08Å; L101-S104 WeakPolarHBondContact CA-OG 3.28Å; L101-S104 PolarHBondContact O-N 3.26Å; L101-S104 PolarHBondContact O-OG 3.4Å; S104-D107 PolarHBondContact O-N 3Å; S104-L108 WeakPolarHBondContact O-CB 3.29Å; S104-L108 PolarHBondContact O-N 3.26Å; S104-Q135 PolarHBondContact OG-NE2 2.92Å
105F62.3Low65.1Low105 Ų105101.7 Ų101.746%0.46149%0.491SS..Hα-helixtrans-68.6-38.9175.6-155.1-91.7000112L101 N102 E103 L108 Q109L101-F105 WeakPolarHBondContact O-CB 3.45Å; L101-F105 PolarHBondContact O-N 3.31Å; N102-F105 PolarHBondContact O-N 3.17Å; E103-F105 VanDerWaalsContact C-N 3.32Å; E103-F105 PolarHBondContact O-N 3.3Å; F105-L108 PolarHBondContact O-N 3.43Å; F105-Q109 HydrophobicContact CD1-CG 4.45Å; F105-Q109 HydrophobicContact CE1-CG 4.44Å; F105-Q109 PolarHBondContact O-N 3.01Å
106R65.9Low64.4Low145 Ų145103 Ų10355%0.54750%0.501SS..Hα-helixtrans-64.3-44.6172.7-86.7-178.4168.5168.4-2.9112.5N102 E103 L108 Q109 L110N102-R106 PolarHBondContact O-N 3.42Å; N102-R106 VanDerWaalsContact O-N 3.11Å; E103-R106 PolarHBondContact O-N 2.8Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 3.44Å; R106-Q109 PolarHBondContact O-N 2.63Å; R106-L110 WeakPolarHBondContact O-CG 3.41Å; R106-L110 PolarHBondContact O-N 2.72Å
107D67.3Low63.4Low71 Ų71104.2 Ų104.238%0.3852%0.518SS..Hα-helixtrans-64.7-37.6177.8-16737.3000111.2E103 S104 L110 R111E103-D107 PolarHBondContact O-N 3.07Å; S104-D107 PolarHBondContact O-N 3Å; D107-L110 PolarHBondContact O-N 3.33Å; D107-R111 WeakPolarHBondContact O-CB 3.27Å; D107-R111 VanDerWaalsContact O-CG 3.29Å; D107-R111 WeakPolarHBondContact O-CG 3.47Å; D107-R111 PolarHBondContact O-N 3.21Å; D107-R111 IonicContact OD1-NE 3.03Å; D107-R111 PolarHBondContact OD1-NE 3Å; D107-R111 IonicContact OD1-NH2 3.64Å; D107-R111 IonicContact OD2-CZ 3.07Å; D107-R111 IonicContact OD2-NE 3.95Å; D107-R111 PolarHBondContact OD2-NE 2.96Å; D107-R111 VanDerWaalsContact OD2-NE 3.1Å; D107-R111 IonicContact OD2-NH2 3.22Å; D107-R111 PolarHBondContact OD2-NH2 3.11Å
108L63.5Low62.4Low51 Ų51111.4 Ų111.427%0.26755%0.55SS.*Hα-helixtrans-65.1-44174.5-157.1112.9000112.3S104 F105 R106 L110 R111 L112 A131S104-L108 WeakPolarHBondContact O-CB 3.29Å; S104-L108 PolarHBondContact O-N 3.26Å; F105-L108 PolarHBondContact O-N 3.43Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 3.44Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 PolarHBondContact O-N 2.9Å; L108-R111 PolarHBondContact O-N 2.81Å; L108-L112 HydrophobicContact CD2-CD1 3.75Å; L108-L112 HydrophobicContact CG-CD1 4.26Å; L108-L112 WeakPolarHBondContact O-CB 3.46Å; L108-L112 PolarHBondContact O-N 3.19Å; L108-A131 HydrophobicContact CD1-CB 3.35Å
109Q57.6Low61.5Low109 Ų109111 Ų11151%0.50955%0.554SS.*Hα-helixtrans-59.9-43.2174.5-83.8-174.8-39.200111.9F105 R106 L113F105-Q109 HydrophobicContact CD1-CG 4.45Å; F105-Q109 HydrophobicContact CE1-CG 4.44Å; F105-Q109 PolarHBondContact O-N 3.01Å; R106-Q109 PolarHBondContact O-N 2.63Å; Q109-L113 WeakPolarHBondContact O-CB 3.48Å; Q109-L113 WeakPolarHBondContact O-CD1 3.39Å; Q109-L113 PolarHBondContact O-N 3.28Å; Q109-L113 VanDerWaalsContact O-N 3.16Å
110L61.8Low60.9Low97 Ų97112.6 Ų112.651%0.50856%0.563SS.*Hα-helixtrans-65.7-41.2178.5-78160.5000112.2R106 D107 L108 L113 Q114R106-L110 WeakPolarHBondContact O-CG 3.41Å; R106-L110 PolarHBondContact O-N 2.72Å; D107-L110 PolarHBondContact O-N 3.33Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 PolarHBondContact O-N 2.9Å; L110-L113 PolarHBondContact O-N 2.83Å; L110-Q114 PolarHBondContact O-N 3.11Å
111R63.6Low60.2Low172 Ų172110.2 Ų110.265%0.64956%0.563SS**Hα-helixtrans-68.7-36.8177.5-72.1176.5-168.9-159.45.6113.2D107 L108 L113 Q114 A115D107-R111 WeakPolarHBondContact O-CB 3.27Å; D107-R111 VanDerWaalsContact O-CG 3.29Å; D107-R111 WeakPolarHBondContact O-CG 3.47Å; D107-R111 PolarHBondContact O-N 3.21Å; D107-R111 IonicContact OD1-NE 3.03Å; D107-R111 PolarHBondContact OD1-NE 3Å; D107-R111 IonicContact OD1-NH2 3.64Å; D107-R111 IonicContact OD2-CZ 3.07Å; D107-R111 IonicContact OD2-NE 3.95Å; D107-R111 PolarHBondContact OD2-NE 2.96Å; D107-R111 VanDerWaalsContact OD2-NE 3.1Å; D107-R111 IonicContact OD2-NH2 3.22Å; D107-R111 PolarHBondContact OD2-NH2 3.11Å; L108-R111 PolarHBondContact O-N 2.81Å; R111-L113 VanDerWaalsContact C-N 3.3Å; R111-L113 PolarHBondContact O-N 3.26Å; R111-Q114 PolarHBondContact O-N 2.78Å; R111-A115 PolarHBondContact O-N 2.8Å
112L57Low59.8Low125 Ų125112.9 Ų112.965%0.65458%0.581SS**Hα-helixtrans-66.5-30.6173.5-94.8149.3000112.6L108L108-L112 HydrophobicContact CD2-CD1 3.75Å; L108-L112 HydrophobicContact CG-CD1 4.26Å; L108-L112 WeakPolarHBondContact O-CB 3.46Å; L108-L112 PolarHBondContact O-N 3.19Å
113L54.9Low59.4Low149 Ų149113.6 Ų113.678%0.7858%0.582SS**Hα-helixtrans-81.2-19.6179.2-91.6153.2000114.3Q109 L110 R111Q109-L113 WeakPolarHBondContact O-CB 3.48Å; Q109-L113 WeakPolarHBondContact O-CD1 3.39Å; Q109-L113 PolarHBondContact O-N 3.28Å; Q109-L113 VanDerWaalsContact O-N 3.16Å; L110-L113 PolarHBondContact O-N 2.83Å; R111-L113 VanDerWaalsContact C-N 3.3Å; R111-L113 PolarHBondContact O-N 3.26Å
114Q57.4Low58.7Low155 Ų155111.4 Ų111.472%0.72457%0.571SS**Hα-helixtrans-114.72.4-172.9-72.7-178.4-22.300115.1L110 R111 P116L110-Q114 PolarHBondContact O-N 3.11Å; R111-Q114 PolarHBondContact O-N 2.78Å; Q114-P116 VanDerWaalsContact O-CD 3.32Å; Q114-P116 WeakPolarHBondContact O-CD 3.45Å
115A55.6Low58.3Low57 Ų57113.6 Ų113.647%0.47158%0.583SS.*  trans-70.9120.4-174.600000112.9R111R111-A115 PolarHBondContact O-N 2.8Å
116P52.4Low58.4Low103 Ų103117.4 Ų117.467%0.66959%0.594SS**  trans-77.3136.3172.530.4-30.4000110.8Q114 Q118Q114-P116 VanDerWaalsContact O-CD 3.32Å; Q114-P116 WeakPolarHBondContact O-CD 3.45Å; P116-Q118 PolarHBondContact O-N 3.08Å
117L51.2Low58.5Low178 Ų178116.6 Ų116.693%0.93259%0.594SS**SBendtrans-71.724.2-171.8-103.4140.2000115.8
118Q49.5Very low58.4Low192 Ų192117.2 Ų117.290%0.89760%0.601SS**  trans-13835.6-166.5-143.1160.78.200115.2P116P116-Q118 PolarHBondContact O-N 3.08Å
119A52Low58.7Low60 Ų60119.6 Ų119.650%0.49661%0.611SS.*SBendtrans-131.215216600000110.7L121A119-L121 PolarHBondContact O-N 2.78Å
120D57.2Low59.4Low123 Ų123120.2 Ų120.266%0.65862%0.617SS**  trans-48.6126.9-166.3-143.3-7.3000113.4T122 E123D120-T122 PolarHBondContact O-N 2.75Å; D120-T122 VanDerWaalsContact O-N 3.08Å; D120-E123 PolarHBondContact O-N 2.9Å; D120-E123 VanDerWaalsContact O-N 3.12Å
121L56.8Low59.6Low136 Ų136117 Ų11771%0.71260%0.604SS**Hα-helixtrans-59.3-29.1-166.9-138.391.5000112.7A119 V125A119-L121 PolarHBondContact O-N 2.78Å; L121-V125 WeakPolarHBondContact O-CG2 3.03Å; L121-V125 PolarHBondContact O-N 3.06Å
122T57.8Low59.6Low89 Ų89114 Ų11455%0.54660%0.601SS.*Hα-helixtrans-69.8-37.6-178.946.60000112.5D120 V125 W126D120-T122 PolarHBondContact O-N 2.75Å; D120-T122 VanDerWaalsContact O-N 3.08Å; T122-V125 PolarHBondContact O-N 3.19Å; T122-W126 PolarHBondContact O-N 2.87Å
123E61.4Low60.3Low103 Ų103112.8 Ų112.848%0.48159%0.592SS.*Hα-helixtrans-72.8-31.9-179.6-151.2-163.3145.400111.8D120 K127D120-E123 PolarHBondContact O-N 2.9Å; D120-E123 VanDerWaalsContact O-N 3.12Å; E123-K127 WeakPolarHBondContact O-CG 3.43Å; E123-K127 PolarHBondContact O-N 2.97Å; E123-K127 WeakPolarHBondContact OE1-CE 3.4Å; E123-K127 IonicContact OE1-NZ 3.48Å; E123-K127 PolarHBondContact OE1-NZ 3.48Å
124Q59.4Low61.1Low78 Ų78110.7 Ų110.736%0.36458%0.581SS.*Hα-helixtrans-70.2-39.8174-68-165.6-6.300112.1K127 V128Q124-K127 PolarHBondContact O-N 3.04Å; Q124-V128 WeakPolarHBondContact O-CG2 3.32Å; Q124-V128 PolarHBondContact O-N 3.19Å
125V60.2Low61.6Low87 Ų87104.9 Ų104.953%0.52755%0.554SS.*Hα-helixtrans-62.4-43.4176171.20000111.1L121 T122 K127 V128 Q129L121-V125 WeakPolarHBondContact O-CG2 3.03Å; L121-V125 PolarHBondContact O-N 3.06Å; T122-V125 PolarHBondContact O-N 3.19Å; V125-K127 PolarHBondContact O-N 2.97Å; V125-V128 PolarHBondContact O-N 3.14Å; V125-Q129 WeakPolarHBondContact O-CB 3.11Å; V125-Q129 PolarHBondContact O-N 3.03Å
126W64.4Low62.4Low186 Ų186104.4 Ų104.471%0.70555%0.547SS*.Hα-helixtrans-65.3-38.1177-80110.4000113.1T122 Q129 D130T122-W126 PolarHBondContact O-N 2.87Å; W126-Q129 PolarHBondContact O-N 3.43Å; W126-D130 WeakPolarHBondContact O-CB 3.48Å; W126-D130 PolarHBondContact O-N 2.8Å
127K66.8Low63.4Low127 Ų127104 Ų10455%0.55254%0.54SS*.Hα-helixtrans-65.9-36.6175.5-77.3172.8-174.11600112.9E123 Q124 V125 A131E123-K127 WeakPolarHBondContact O-CG 3.43Å; E123-K127 PolarHBondContact O-N 2.97Å; E123-K127 WeakPolarHBondContact OE1-CE 3.4Å; E123-K127 IonicContact OE1-NZ 3.48Å; E123-K127 PolarHBondContact OE1-NZ 3.48Å; Q124-K127 PolarHBondContact O-N 3.04Å; V125-K127 PolarHBondContact O-N 2.97Å; K127-A131 WeakPolarHBondContact O-CB 3.42Å; K127-A131 PolarHBondContact O-N 3.28Å
128V66.1Low64.5Low85 Ų8596.8 Ų96.852%0.51550%0.504SS..Hα-helixtrans-70.9-41.9174.6173.60000110.8Q124 V125 A131 L132Q124-V128 WeakPolarHBondContact O-CG2 3.32Å; Q124-V128 PolarHBondContact O-N 3.19Å; V125-V128 PolarHBondContact O-N 3.14Å; V128-A131 PolarHBondContact O-N 3.37Å; V128-L132 PolarHBondContact O-N 3.09Å
129Q70.3Confident65.5Low101 Ų10192.1 Ų92.147%0.47249%0.485SS..Hα-helixtrans-58.7-47.7175.9-171.180.820.400111.3V125 W126 A131 L132 Q133V125-Q129 WeakPolarHBondContact O-CB 3.11Å; V125-Q129 PolarHBondContact O-N 3.03Å; W126-Q129 PolarHBondContact O-N 3.43Å; Q129-A131 PolarHBondContact O-N 3.26Å; Q129-L132 PolarHBondContact O-N 3.16Å; Q129-Q133 WeakPolarHBondContact O-CB 3.34Å; Q129-Q133 PolarHBondContact O-N 3.12Å
130D70.6Confident66.5Low121 Ų12195.3 Ų95.365%0.64749%0.493SS*.Hα-helixtrans-67.4-36.6-177.7-155.440.6000111.8W126 Q133 N134W126-D130 WeakPolarHBondContact O-CB 3.48Å; W126-D130 PolarHBondContact O-N 2.8Å; D130-Q133 PolarHBondContact O-N 3.41Å; D130-N134 WeakPolarHBondContact O-CB 3.35Å; D130-N134 PolarHBondContact O-N 2.62Å
131A66.9Low67.4Low29 Ų2991.6 Ų91.624%0.2448%0.479CS..Hα-helixtrans-70-36.5174.600000113.1L108 K127 V128 Q129 Q135L108-A131 HydrophobicContact CD1-CB 3.35Å; K127-A131 WeakPolarHBondContact O-CB 3.42Å; K127-A131 PolarHBondContact O-N 3.28Å; V128-A131 PolarHBondContact O-N 3.37Å; Q129-A131 PolarHBondContact O-N 3.26Å; A131-Q135 WeakPolarHBondContact O-CG 3.31Å; A131-Q135 PolarHBondContact O-N 2.97Å; A131-Q135 VanDerWaalsContact O-N 3.16Å
132L63.2Low68.2Low111 Ų11186.6 Ų86.658%0.58145%0.453SS*.Hα-helixtrans-65.6-40.5171.6-121.985.7000111.3V128 Q129 Q135 S136V128-L132 PolarHBondContact O-N 3.09Å; Q129-L132 PolarHBondContact O-N 3.16Å; L132-Q135 PolarHBondContact O-N 3.46Å; L132-S136 PolarHBondContact O-N 2.94Å
133Q71.6Confident68.8Low99 Ų9985 Ų8546%0.46345%0.449SS..Hα-helixtrans-62.8-44.5178.6-153.976.513.200110.8Q129 D130 Q135 S136 D137Q129-Q133 WeakPolarHBondContact O-CB 3.34Å; Q129-Q133 PolarHBondContact O-N 3.12Å; D130-Q133 PolarHBondContact O-N 3.41Å; Q133-Q135 VanDerWaalsContact C-N 3.33Å; Q133-Q135 PolarHBondContact O-N 3.12Å; Q133-S136 WeakPolarHBondContact O-CB 3.39Å; Q133-S136 PolarHBondContact O-N 2.83Å; Q133-S136 VanDerWaalsContact O-N 3.08Å; Q133-S136 PolarHBondContact O-OG 3.14Å; Q133-D137 PolarHBondContact O-N 2.83Å
134N72.1Confident69.5Low104 Ų10481.6 Ų81.656%0.55644%0.441SS*.Hα-helixtrans-67-31.9179.2-1547.7000113D130 S138D130-N134 WeakPolarHBondContact O-CB 3.35Å; D130-N134 PolarHBondContact O-N 2.62Å; N134-S138 WeakPolarHBondContact O-CB 3.44Å; N134-S138 PolarHBondContact O-N 3.14Å; N134-S138 PolarHBondContact O-OG 2.67Å
135Q68.8Low70.3Confident33 Ų3378 Ų7815%0.15443%0.425CS..Hα-helixtrans-67.1-39.5170.5-75.6-101.1-4500111.5S104 A131 L132 Q133 S138 L139S104-Q135 PolarHBondContact OG-NE2 2.92Å; A131-Q135 WeakPolarHBondContact O-CG 3.31Å; A131-Q135 PolarHBondContact O-N 2.97Å; A131-Q135 VanDerWaalsContact O-N 3.16Å; L132-Q135 PolarHBondContact O-N 3.46Å; Q133-Q135 VanDerWaalsContact C-N 3.33Å; Q133-Q135 PolarHBondContact O-N 3.12Å; Q135-S138 PolarHBondContact O-N 2.89Å; Q135-L139 WeakPolarHBondContact O-CG 3.16Å; Q135-L139 PolarHBondContact O-N 2.88Å
136S71.7Confident70.9Confident47 Ų4776.7 Ų76.733%0.32942%0.417SS..Hα-helixtrans-65.8-41.3177.877.40000112.6L132 Q133 S138 L139 L140L132-S136 PolarHBondContact O-N 2.94Å; Q133-S136 WeakPolarHBondContact O-CB 3.39Å; Q133-S136 PolarHBondContact O-N 2.83Å; Q133-S136 VanDerWaalsContact O-N 3.08Å; Q133-S136 PolarHBondContact O-OG 3.14Å; S136-S138 PolarHBondContact O-N 3.26Å; S136-L139 PolarHBondContact O-N 3.28Å; S136-L140 PolarHBondContact O-N 3.35Å
137D73Confident71.4Confident94 Ų9474.3 Ų74.350%0.50341%0.414SS..Hα-helixtrans-66.3-38.6177.1-71.3-25000112Q133 L140 A141Q133-D137 PolarHBondContact O-N 2.83Å; D137-L140 PolarHBondContact O-N 3.46Å; D137-A141 PolarHBondContact O-N 3.25Å
138S74.4Confident71.9Confident27 Ų2774.7 Ų74.719%0.18941%0.412CS..Hα-helixtrans-70.3-35.2178.9-57.50000112.2N134 Q135 S136 L142N134-S138 WeakPolarHBondContact O-CB 3.44Å; N134-S138 PolarHBondContact O-N 3.14Å; N134-S138 PolarHBondContact O-OG 2.67Å; Q135-S138 PolarHBondContact O-N 2.89Å; S136-S138 PolarHBondContact O-N 3.26Å; S138-L142 PolarHBondContact O-N 3.09Å; S138-L142 VanDerWaalsContact O-N 3.15Å
139L70.1Confident72.3Confident95 Ų9573 Ų7350%0.49740%0.399SS..Hα-helixtrans-67.4-40171.7-77.3170.3000112L101 Q135 S136 L142 A143L101-L139 HydrophobicContact CD1-CD2 4.14Å; L101-L139 HydrophobicContact CD1-CG 4.05Å; L101-L139 HydrophobicContact CD2-CD2 4.1Å; L101-L139 HydrophobicContact CD2-CG 4.46Å; Q135-L139 WeakPolarHBondContact O-CG 3.16Å; Q135-L139 PolarHBondContact O-N 2.88Å; S136-L139 PolarHBondContact O-N 3.28Å; L139-L142 WeakPolarHBondContact O-CB 3.08Å; L139-L142 PolarHBondContact O-N 3.14Å; L139-A143 PolarHBondContact O-N 2.89Å
140L74.1Confident72.5Confident126 Ų12673.1 Ų73.166%0.6640%0.4SS*.Hα-helixtrans-62.7-41.5175.5-115.8128.8000112S136 D137 L142 A143 G144S136-L140 PolarHBondContact O-N 3.35Å; D137-L140 PolarHBondContact O-N 3.46Å; L140-L142 VanDerWaalsContact C-N 3.3Å; L140-L142 PolarHBondContact O-N 3.34Å; L140-A143 PolarHBondContact O-N 3.3Å; L140-G144 PolarHBondContact O-N 3.05Å
141A75.7Confident72.8Confident45 Ų4569.6 Ų69.637%0.37239%0.392SS..Hα-helixtrans-64.5-34.5174.900000112.7D137 A145D137-A141 PolarHBondContact O-N 3.25Å; A141-A145 PolarHBondContact O-N 2.77Å
142L73.6Confident73.3Confident32 Ų3270.1 Ų70.117%0.16840%0.397CS..Hα-helixtrans-69.7-45.4176.4-127.7143.9000111.4L94 N97 V98 L101 S138 L139 L140 G144 A145 V146L94-L142 HydrophobicContact CD1-CD2 3.45Å; L94-L142 VanDerWaalsContact CD1-CD2 3.45Å; L94-L142 HydrophobicContact CD1-CG 3.99Å; L94-L142 HydrophobicContact CG-CD2 4.45Å; N97-L142 HydrophobicContact CB-CD1 4.12Å; N97-L142 HydrophobicContact CB-CG 4.31Å; V98-L142 HydrophobicContact CG2-CD1 3.79Å; V98-L142 HydrophobicContact CG2-CD2 3.95Å; V98-L142 HydrophobicContact CG2-CG 4.29Å; L101-L142 HydrophobicContact CD1-CD1 4.33Å; S138-L142 PolarHBondContact O-N 3.09Å; S138-L142 VanDerWaalsContact O-N 3.15Å; L139-L142 WeakPolarHBondContact O-CB 3.08Å; L139-L142 PolarHBondContact O-N 3.14Å; L140-L142 VanDerWaalsContact C-N 3.3Å; L140-L142 PolarHBondContact O-N 3.34Å; L142-G144 VanDerWaalsContact C-N 3.32Å; L142-G144 PolarHBondContact O-N 3.34Å; L142-A145 PolarHBondContact O-N 2Å; L142-A145 VanDerWaalsContact O-N 3.11Å; L142-V146 WeakPolarHBondContact O-CG2 3.5Å; L142-V146 PolarHBondContact O-N 3.39Å
143A70.7Confident73.7Confident54 Ų5470.4 Ų70.445%0.44640%0.398SS..Hα-helixtrans-58.2-44.417400000111.5L139 L140 A145 V146 Q147L139-A143 PolarHBondContact O-N 2.89Å; L140-A143 PolarHBondContact O-N 3.3Å; A143-A145 VanDerWaalsContact C-N 3.27Å; A143-A145 PolarHBondContact O-N 3.32Å; A143-V146 PolarHBondContact O-N 2.82Å; A143-Q147 PolarHBondContact O-N 2.88Å
144G76.8Confident73.9Confident32 Ų3274.8 Ų74.833%0.3341%0.411SS..Hα-helixtrans-65.8-24.4176.300000114.7L140 L142 R148L140-G144 PolarHBondContact O-N 3.05Å; L142-G144 VanDerWaalsContact C-N 3.32Å; L142-G144 PolarHBondContact O-N 3.34Å; G144-R148 WeakPolarHBondContact O-CG 2.94Å; G144-R148 PolarHBondContact O-NE 2.8Å
145A75.3Confident74.2Confident2 Ų271.7 Ų71.72%0.01740%0.404CS..Hα-helixtrans-79.6-39.1173.500000111.9L94 A141 L142 A143 R148 L149L94-A145 HydrophobicContact CD1-CB 3.89Å; A141-A145 PolarHBondContact O-N 2.77Å; L142-A145 PolarHBondContact O-N 2Å; L142-A145 VanDerWaalsContact O-N 3.11Å; A143-A145 VanDerWaalsContact C-N 3.27Å; A143-A145 PolarHBondContact O-N 3.32Å; A145-R148 PolarHBondContact O-N 3.15Å; A145-L149 PolarHBondContact O-N 3.24Å; A145-L149 VanDerWaalsContact O-N 3.14Å
146V73.3Confident74.5Confident61 Ų6174.5 Ų74.537%0.3742%0.419SS..Hα-helixtrans-63.7-44.4175.3173.50000111.1L94 L142 A143 R148 L149 E150L94-V146 HydrophobicContact CD1-CG2 4.04Å; L142-V146 WeakPolarHBondContact O-CG2 3.5Å; L142-V146 PolarHBondContact O-N 3.39Å; A143-V146 PolarHBondContact O-N 2.82Å; V146-R148 VanDerWaalsContact C-N 3.26Å; V146-R148 PolarHBondContact O-N 3.12Å; V146-L149 WeakPolarHBondContact O-CB 3.25Å; V146-L149 PolarHBondContact O-N 3.32Å; V146-L149 VanDerWaalsContact O-N 3.09Å; V146-E150 PolarHBondContact O-N 3.43Å
147Q74.8Confident74.7Confident135 Ų13577.8 Ų77.863%0.63143%0.429SS*.Hα-helixtrans-58.3-37.6177.7-148.595.112.500112.7A143 G151A143-Q147 PolarHBondContact O-N 2.88Å; Q147-G151 PolarHBondContact O-N 2.78Å; Q147-G151 VanDerWaalsContact O-N 3.12Å
148R77.3Confident75.1Confident136 Ų13676 Ų7651%0.51343%0.428SS..Hα-helixtrans-70.4-37.7177-77.8-177.7-83.2142-10.8112.2D90 G144 A145 V146 G151 A152D90-R148 IonicContact OD1-CZ 2.69Å; D90-R148 IonicContact OD1-NH1 2.91Å; D90-R148 PolarHBondContact OD1-NH1 3.35Å; G144-R148 WeakPolarHBondContact O-CG 2.94Å; G144-R148 PolarHBondContact O-NE 2.8Å; A145-R148 PolarHBondContact O-N 3.15Å; V146-R148 VanDerWaalsContact C-N 3.26Å; V146-R148 PolarHBondContact O-N 3.12Å; R148-G151 PolarHBondContact O-N 2.02Å; R148-A152 PolarHBondContact O-N 3.34Å
149L74.3Confident75.6Confident48 Ų4880.7 Ų80.725%0.25145%0.447SS..Hα-helixtrans-64.8-43.3174.4-101.7156.8000111.8L91 L94 A145 V146 G151 A152 L153L91-L149 HydrophobicContact CD1-CD1 4.26Å; L94-L149 HydrophobicContact CD2-CD1 4.14Å; A145-L149 PolarHBondContact O-N 3.24Å; A145-L149 VanDerWaalsContact O-N 3.14Å; V146-L149 WeakPolarHBondContact O-CB 3.25Å; V146-L149 PolarHBondContact O-N 3.32Å; V146-L149 VanDerWaalsContact O-N 3.09Å; L149-G151 VanDerWaalsContact C-N 3.35Å; L149-G151 PolarHBondContact O-N 2.93Å; L149-A152 PolarHBondContact O-N 2.58Å; L149-L153 WeakPolarHBondContact O-CB 3.05Å; L149-L153 PolarHBondContact O-N 3.31Å
150E74.7Confident75.9Confident105 Ų10578.4 Ų78.449%0.49144%0.442SS..Hα-helixtrans-60.3-44174-73.3-175.1159.400111.7V146 A152 L153 W154V146-E150 PolarHBondContact O-N 3.43Å; E150-A152 VanDerWaalsContact C-N 3.35Å; E150-A152 PolarHBondContact O-N 3.3Å; E150-L153 WeakPolarHBondContact O-CB 3Å; E150-L153 PolarHBondContact O-N 3.08Å; E150-L153 VanDerWaalsContact O-N 3.16Å; E150-W154 PolarHBondContact O-N 2.84Å
151G77.2Confident76.4Confident46 Ų4676.1 Ų76.147%0.47443%0.433SS..Hα-helixtrans-60-41.7175.600000113.2Q147 R148 L149 L153 G155Q147-G151 PolarHBondContact O-N 2.78Å; Q147-G151 VanDerWaalsContact O-N 3.12Å; R148-G151 PolarHBondContact O-N 2.02Å; L149-G151 VanDerWaalsContact C-N 3.35Å; L149-G151 PolarHBondContact O-N 2.93Å; G151-L153 VanDerWaalsContact C-N 3.33Å; G151-L153 PolarHBondContact O-N 3.42Å; G151-G155 PolarHBondContact O-N 2.87Å
152A76.9Confident76.8Confident41 Ų4180.3 Ų80.334%0.33945%0.445SS..Hα-helixtrans-65.8-36175.300000112.4R148 L149 E150 G155 L156R148-A152 PolarHBondContact O-N 3.34Å; L149-A152 PolarHBondContact O-N 2.58Å; E150-A152 VanDerWaalsContact C-N 3.35Å; E150-A152 PolarHBondContact O-N 3.3Å; A152-G155 PolarHBondContact O-N 2.94Å; A152-L156 WeakPolarHBondContact O-CG 3.48Å; A152-L156 PolarHBondContact O-N 3.42Å
153L72.3Confident77.3Confident117 Ų11782.6 Ų82.661%0.61346%0.46SS*.Hα-helixtrans-68.2-42.4178.8-145129.9000111.5L149 E150 G151 G155 L156 Q157L149-L153 WeakPolarHBondContact O-CB 3.05Å; L149-L153 PolarHBondContact O-N 3.31Å; E150-L153 WeakPolarHBondContact O-CB 3Å; E150-L153 PolarHBondContact O-N 3.08Å; E150-L153 VanDerWaalsContact O-N 3.16Å; G151-L153 VanDerWaalsContact C-N 3.33Å; G151-L153 PolarHBondContact O-N 3.42Å; L153-G155 VanDerWaalsContact C-N 3.34Å; L153-G155 PolarHBondContact O-N 3.5Å; L153-L156 PolarHBondContact O-N 3.44Å; L153-Q157 WeakPolarHBondContact O-CB 3.47Å; L153-Q157 PolarHBondContact O-N 2.76Å
154W74.1Confident77.8Confident190 Ų19087.2 Ų87.272%0.7247%0.472SS*.Hα-helixtrans-62.3-39.2171.5-79.2111.2000112.7E150 Q157 A158E150-W154 PolarHBondContact O-N 2.84Å; W154-Q157 PolarHBondContact O-N 3.32Å; W154-A158 WeakPolarHBondContact O-CB 3.18Å; W154-A158 PolarHBondContact O-N 3.43Å
155G80.2Confident78.4Confident40 Ų4091.9 Ų91.941%0.41249%0.485SS..Hα-helixtrans-61.9-43.8174.600000112.9G151 A152 L153 A158 Q159G151-G155 PolarHBondContact O-N 2.87Å; A152-G155 PolarHBondContact O-N 2.94Å; L153-G155 VanDerWaalsContact C-N 3.34Å; L153-G155 PolarHBondContact O-N 3.5Å; G155-A158 PolarHBondContact O-N 2.96Å; G155-Q159 WeakPolarHBondContact O-CB 3.11Å; G155-Q159 PolarHBondContact O-N 2.81Å
156L73.8Confident78.9Confident92 Ų9294.4 Ų94.448%0.48251%0.506SS..Hα-helixtrans-65.6-39.8175.7-74.9169.6000112.3A152 L153 Q159 A160A152-L156 WeakPolarHBondContact O-CG 3.48Å; A152-L156 PolarHBondContact O-N 3.42Å; L153-L156 PolarHBondContact O-N 3.44Å; L156-Q159 PolarHBondContact O-N 3.25Å; L156-A160 WeakPolarHBondContact O-CB 3.08Å; L156-A160 PolarHBondContact O-N 3.28Å
157Q77.3Confident79.4Confident116 Ų11695.2 Ų95.254%0.54251%0.511SS..Hα-helixtrans-61.6-46175.9-167.278.56.300111.2L153 W154 Q159 A160 V161L153-Q157 WeakPolarHBondContact O-CB 3.47Å; L153-Q157 PolarHBondContact O-N 2.76Å; W154-Q157 PolarHBondContact O-N 3.32Å; Q157-Q159 VanDerWaalsContact C-N 3.33Å; Q157-Q159 PolarHBondContact O-N 3.22Å; Q157-A160 PolarHBondContact O-N 2.79Å; Q157-V161 WeakPolarHBondContact O-CG2 3.38Å; Q157-V161 PolarHBondContact O-N 3.4Å; Q157-V161 VanDerWaalsContact O-N 3.15Å
158A81.3Confident79.8Confident57 Ų5791 Ų9147%0.47150%0.5SS..Hα-helixtrans-63.1-40.2178.100000112W154 G155 V161 Q162W154-A158 WeakPolarHBondContact O-CB 3.18Å; W154-A158 PolarHBondContact O-N 3.43Å; G155-A158 PolarHBondContact O-N 2.96Å; A158-V161 PolarHBondContact O-N 2.81Å; A158-Q162 PolarHBondContact O-N 3.39Å; A158-Q162 VanDerWaalsContact O-N 3.13Å
159Q84.4Confident80.5Confident124 Ų12490 Ų9058%0.57950%0.504SS*.Hα-helixtrans-69.4-36.9178.2-166.9150.17.300112.4G155 L156 Q157 V161 Q162 T163G155-Q159 WeakPolarHBondContact O-CB 3.11Å; G155-Q159 PolarHBondContact O-N 2.81Å; L156-Q159 PolarHBondContact O-N 3.25Å; Q157-Q159 VanDerWaalsContact C-N 3.33Å; Q157-Q159 PolarHBondContact O-N 3.22Å; Q159-V161 VanDerWaalsContact C-N 3.34Å; Q159-V161 PolarHBondContact O-N 3.46Å; Q159-Q162 PolarHBondContact O-N 3.24Å; Q159-T163 WeakPolarHBondContact O-CG2 3.31Å; Q159-T163 PolarHBondContact O-N 2.85Å; Q159-T163 PolarHBondContact O-OG1 2.91Å
160A76.8Confident81Confident48 Ų4893 Ų9340%0.39752%0.52SS..Hα-helixtrans-59.9-43.5173.200000111.8L156 Q157 Q162 T163 E164L156-A160 WeakPolarHBondContact O-CB 3.08Å; L156-A160 PolarHBondContact O-N 3.28Å; Q157-A160 PolarHBondContact O-N 2.79Å; A160-Q162 PolarHBondContact O-N 3.04Å; A160-T163 WeakPolarHBondContact CA-OG1 3.2Å; A160-T163 PolarHBondContact O-N 3.35Å; A160-T163 PolarHBondContact O-OG1 3.34Å; A160-E164 WeakPolarHBondContact O-CG 3.32Å; A160-E164 PolarHBondContact O-N 2.99Å
161V83.8Confident81.4Confident78 Ų7896.4 Ų96.447%0.47353%0.528SS..Hα-helixtrans-63.3-40.6176.8173.70000111.9Q157 A158 Q159 T163 E164 Q165Q157-V161 WeakPolarHBondContact O-CG2 3.38Å; Q157-V161 PolarHBondContact O-N 3.4Å; Q157-V161 VanDerWaalsContact O-N 3.15Å; A158-V161 PolarHBondContact O-N 2.81Å; Q159-V161 VanDerWaalsContact C-N 3.34Å; Q159-V161 PolarHBondContact O-N 3.46Å; V161-T163 VanDerWaalsContact C-N 3.34Å; V161-T163 PolarHBondContact O-N 2.57Å; V161-E164 PolarHBondContact O-N 3.43Å; V161-Q165 PolarHBondContact O-N 2.8Å; V161-Q165 VanDerWaalsContact O-N 3.1Å
162Q85.3Confident82Confident133 Ų13399.9 Ų99.962%0.62154%0.536SS*.Hα-helixtrans-65.2-37.9175.5-73-172.1-1000112.4A158 Q159 A160 Q165 A166A158-Q162 PolarHBondContact O-N 3.39Å; A158-Q162 VanDerWaalsContact O-N 3.13Å; Q159-Q162 PolarHBondContact O-N 3.24Å; A160-Q162 PolarHBondContact O-N 3.04Å; Q162-Q165 PolarHBondContact O-N 3.49Å; Q162-A166 PolarHBondContact O-N 2.9Å
163T82.4Confident82.6Confident80 Ų80105.7 Ų105.749%0.49155%0.549SS..Hα-helixtrans-67.9-38.9176.654.70000112.4Q159 A160 V161 Q165 A166 V167Q159-T163 WeakPolarHBondContact O-CG2 3.31Å; Q159-T163 PolarHBondContact O-N 2.85Å; Q159-T163 PolarHBondContact O-OG1 2.91Å; A160-T163 WeakPolarHBondContact CA-OG1 3.2Å; A160-T163 PolarHBondContact O-N 3.35Å; A160-T163 PolarHBondContact O-OG1 3.34Å; V161-T163 VanDerWaalsContact C-N 3.34Å; V161-T163 PolarHBondContact O-N 2.57Å; T163-Q165 VanDerWaalsContact C-N 3.35Å; T163-Q165 PolarHBondContact O-N 2.69Å; T163-A166 PolarHBondContact O-N 3.21Å; T163-V167 VanDerWaalsContact O-CG2 3.28Å; T163-V167 WeakPolarHBondContact O-CG2 3.4Å; T163-V167 PolarHBondContact O-N 2.73Å
164E81.1Confident83Confident150 Ų150104.2 Ų104.270%0.70155%0.545SS*.Hα-helixtrans-59.2-45.5173.7-77.5-99.9145.200111.3A160 V161 V167 A168A160-E164 WeakPolarHBondContact O-CG 3.32Å; A160-E164 PolarHBondContact O-N 2.99Å; V161-E164 PolarHBondContact O-N 3.43Å; E164-V167 PolarHBondContact O-N 2.85Å; E164-A168 WeakPolarHBondContact O-CB 3.35Å; E164-A168 PolarHBondContact O-N 3.36Å
165Q89.1Confident83.4Confident130 Ų13096.6 Ų96.661%0.60753%0.526SS*.Hα-helixtrans-63.5-42176.9-75.4178-13.600112.6V161 Q162 T163 V167 A168 L169V161-Q165 PolarHBondContact O-N 2.8Å; V161-Q165 VanDerWaalsContact O-N 3.1Å; Q162-Q165 PolarHBondContact O-N 3.49Å; T163-Q165 VanDerWaalsContact C-N 3.35Å; T163-Q165 PolarHBondContact O-N 2.69Å; Q165-V167 VanDerWaalsContact C-N 3.34Å; Q165-V167 PolarHBondContact O-N 3.37Å; Q165-A168 PolarHBondContact O-N 2.93Å; Q165-L169 WeakPolarHBondContact O-CB 3.35Å; Q165-L169 PolarHBondContact O-N 3.49Å
166A85.8Confident83.8Confident55 Ų55101.7 Ų101.746%0.45554%0.539SS..Hα-helixtrans-64.1-40176.900000112Q162 T163 L169 L170Q162-A166 PolarHBondContact O-N 2.9Å; T163-A166 PolarHBondContact O-N 3.21Å; A166-L169 PolarHBondContact O-N 2.95Å; A166-L170 WeakPolarHBondContact O-CG 3.32Å; A166-L170 PolarHBondContact O-N 3.21Å
167V84.5Confident84.3Confident79 Ų79103.8 Ų103.848%0.47955%0.546SS..Hα-helixtrans-67.4-40.6176171.40000111.3T163 E164 Q165 L170 R171T163-V167 VanDerWaalsContact O-CG2 3.28Å; T163-V167 WeakPolarHBondContact O-CG2 3.4Å; T163-V167 PolarHBondContact O-N 2.73Å; E164-V167 PolarHBondContact O-N 2.85Å; Q165-V167 VanDerWaalsContact C-N 3.34Å; Q165-V167 PolarHBondContact O-N 3.37Å; V167-L170 PolarHBondContact O-N 2.96Å; V167-R171 WeakPolarHBondContact O-CB 3.25Å; V167-R171 PolarHBondContact O-N 3.5Å
168A83.3Confident84.7Confident46 Ų46101 Ų10138%0.3854%0.539SS..Hα-helixtrans-61-44.5175.100000111.6E164 Q165 L170 R171 D172E164-A168 WeakPolarHBondContact O-CB 3.35Å; E164-A168 PolarHBondContact O-N 3.36Å; Q165-A168 PolarHBondContact O-N 2.93Å; A168-L170 PolarHBondContact O-N 3.05Å; A168-R171 WeakPolarHBondContact O-CB 3.36Å; A168-R171 PolarHBondContact O-N 3.33Å; A168-D172 PolarHBondContact O-N 3.34Å
169L92.5Very high85Confident114 Ų114103.5 Ų103.560%0.59755%0.545SS*.Hα-helixtrans-67.4-36.6180-157.4146.6000112.3Q165 A166 R173Q165-L169 WeakPolarHBondContact O-CB 3.35Å; Q165-L169 PolarHBondContact O-N 3.49Å; A166-L169 PolarHBondContact O-N 2.95Å; L169-R173 WeakPolarHBondContact O-CB 3.49Å; L169-R173 PolarHBondContact O-N 2.73Å
170L84.9Confident85.1Confident113 Ų113100.6 Ų100.659%0.59254%0.542SS*.Hα-helixtrans-64.6-43.8171-77.6169.6000111.7A166 V167 A168 R173 T174A166-L170 WeakPolarHBondContact O-CG 3.32Å; A166-L170 PolarHBondContact O-N 3.21Å; V167-L170 PolarHBondContact O-N 2.96Å; A168-L170 PolarHBondContact O-N 3.05Å; L170-R173 PolarHBondContact O-N 2.98Å; L170-T174 PolarHBondContact O-N 3.14Å; L170-T174 PolarHBondContact O-OG1 3.17Å
171R83.4Confident85.3Confident176 Ų176100.9 Ų100.966%0.66454%0.544SS*.Hα-helixtrans-59.6-47.5177.6-179.3176.8-75.8151.2-3.4111.3V167 A168 R173 T174 G175V167-R171 WeakPolarHBondContact O-CB 3.25Å; V167-R171 PolarHBondContact O-N 3.5Å; A168-R171 WeakPolarHBondContact O-CB 3.36Å; A168-R171 PolarHBondContact O-N 3.33Å; R171-R173 VanDerWaalsContact C-N 3.34Å; R171-R173 PolarHBondContact O-N 2.97Å; R171-T174 WeakPolarHBondContact CA-OG1 3.26Å; R171-T174 PolarHBondContact O-N 3.25Å; R171-T174 PolarHBondContact O-OG1 2.91Å; R171-G175 PolarHBondContact O-N 2.87Å
172D89.9Confident85.4Confident119 Ų119102.8 Ų102.864%0.63655%0.548SS*.Hα-helixtrans-60.3-44.7176.9-81.92.6000111.3A168 T174 G175 Q176A168-D172 PolarHBondContact O-N 3.34Å; D172-T174 PolarHBondContact O-N 2.82Å; D172-G175 PolarHBondContact O-N 2.04Å; D172-Q176 WeakPolarHBondContact O-CB 3.25Å; D172-Q176 PolarHBondContact O-N 2.79Å
173R89.4Confident85.4Confident162 Ų16298.3 Ų98.361%0.61154%0.537SS*.Hα-helixtrans-64.4-39.3179.5-161.3172.8-1661503.1112.4L169 L170 R171 Q177L169-R173 WeakPolarHBondContact O-CB 3.49Å; L169-R173 PolarHBondContact O-N 2.73Å; L170-R173 PolarHBondContact O-N 2.98Å; R171-R173 VanDerWaalsContact C-N 3.34Å; R171-R173 PolarHBondContact O-N 2.97Å; R173-Q177 PolarHBondContact O-N 3.47Å; R173-Q177 VanDerWaalsContact O-N 3.09Å
174T79Confident85.8Confident86 Ų86101.1 Ų101.153%0.52855%0.545SS..Hα-helixtrans-68.4-37.317448.60000112.4L170 R171 D172 Q177 S178L170-T174 PolarHBondContact O-N 3.14Å; L170-T174 PolarHBondContact O-OG1 3.17Å; R171-T174 WeakPolarHBondContact CA-OG1 3.26Å; R171-T174 PolarHBondContact O-N 3.25Å; R171-T174 PolarHBondContact O-OG1 2.91Å; D172-T174 PolarHBondContact O-N 2.82Å; T174-Q177 PolarHBondContact O-N 3.34Å; T174-S178 PolarHBondContact O-N 3.15Å
175G82.9Confident85.9Confident31 Ų3199.5 Ų99.532%0.3254%0.54SS..Hα-helixtrans-61.5-48.1173.500000111.2R171 D172 Q177 S178 D179R171-G175 PolarHBondContact O-N 2.87Å; D172-G175 PolarHBondContact O-N 2.04Å; G175-Q177 VanDerWaalsContact C-N 3.31Å; G175-Q177 PolarHBondContact O-N 3.34Å; G175-S178 WeakPolarHBondContact O-CB 3.41Å; G175-S178 PolarHBondContact O-N 3.02Å; G175-S178 VanDerWaalsContact O-N 3.09Å; G175-D179 PolarHBondContact O-N 3.01Å
176Q88.5Confident85.6Confident147 Ų147101.4 Ų101.469%0.68754%0.543SS*.Hα-helixtrans-61.5-37.6179-135.9176.110.600113D172 A180D172-Q176 WeakPolarHBondContact O-CB 3.25Å; D172-Q176 PolarHBondContact O-N 2.79Å; Q176-A180 WeakPolarHBondContact O-CB 3.31Å; Q176-A180 PolarHBondContact O-N 3.4Å
177Q84.8Confident85.8Confident135 Ų135105.1 Ų105.163%0.63155%0.551SS**Hα-helixtrans-69.8-38.4174.1-77.9-173.6-31.100112.6R173 T174 G175 A181R173-Q177 PolarHBondContact O-N 3.47Å; R173-Q177 VanDerWaalsContact O-N 3.09Å; T174-Q177 PolarHBondContact O-N 3.34Å; G175-Q177 VanDerWaalsContact C-N 3.31Å; G175-Q177 PolarHBondContact O-N 3.34Å; Q177-A181 WeakPolarHBondContact O-CB 3.04Å; Q177-A181 PolarHBondContact O-N 3.29Å
178S85.1Confident85.6Confident58 Ų58106.6 Ų106.641%0.40656%0.556SS.*Hα-helixtrans-62.1-47.4174.4-174.80000111.1T174 G175 A180 A181 Q182T174-S178 PolarHBondContact O-N 3.15Å; G175-S178 WeakPolarHBondContact O-CB 3.41Å; G175-S178 PolarHBondContact O-N 3.02Å; G175-S178 VanDerWaalsContact O-N 3.09Å; S178-A180 PolarHBondContact O-N 3.31Å; S178-A181 PolarHBondContact O-N 2.9Å; S178-Q182 WeakPolarHBondContact O-CB 3.4Å; S178-Q182 PolarHBondContact O-N 3.24Å; S178-Q182 PolarHBondContact O-OE1 3.32Å; S178-Q182 PolarHBondContact OG-OE1 2.87Å
179D88.4Confident85.8Confident110 Ų110109.4 Ų109.459%0.58856%0.561SS**Hα-helixtrans-63.6-41.9-179.5-68.2-18.7000111.5G175 Q182 G183G175-D179 PolarHBondContact O-N 3.01Å; D179-Q182 PolarHBondContact O-N 3.34Å; D179-G183 PolarHBondContact O-N 2.88Å
180A85.9Confident85.6Confident62 Ų62107.5 Ų107.551%0.51255%0.554SS.*Hα-helixtrans-62.1-45.6174.700000111.6Q176 S178 Q182 G183 E184Q176-A180 WeakPolarHBondContact O-CB 3.31Å; Q176-A180 PolarHBondContact O-N 3.4Å; S178-A180 PolarHBondContact O-N 3.31Å; A180-Q182 PolarHBondContact O-N 3.26Å; A180-G183 PolarHBondContact O-N 2.97Å; A180-E184 PolarHBondContact O-N 2.8Å
181A81.6Confident85.7Confident54 Ų54108.2 Ų108.245%0.44655%0.554SS.*Hα-helixtrans-64.2-40177.600000112.2Q177 S178 G183 E184 L185Q177-A181 WeakPolarHBondContact O-CB 3.04Å; Q177-A181 PolarHBondContact O-N 3.29Å; S178-A181 PolarHBondContact O-N 2.9Å; A181-G183 VanDerWaalsContact C-N 3.35Å; A181-E184 PolarHBondContact O-N 3.06Å; A181-L185 WeakPolarHBondContact O-CB 3.05Å; A181-L185 PolarHBondContact O-N 2.94Å
182Q84.6Confident85.8Confident119 Ų119102 Ų10256%0.55654%0.538SS*.Hα-helixtrans-66.2-36.3174.7-85.6165-55.600112.3S178 D179 A180 L185 Y186S178-Q182 WeakPolarHBondContact O-CB 3.4Å; S178-Q182 PolarHBondContact O-N 3.24Å; S178-Q182 PolarHBondContact O-OE1 3.32Å; S178-Q182 PolarHBondContact OG-OE1 2.87Å; D179-Q182 PolarHBondContact O-N 3.34Å; A180-Q182 PolarHBondContact O-N 3.26Å; Q182-L185 PolarHBondContact O-N 3.03Å; Q182-Y186 WeakPolarHBondContact O-CB 3.46Å; Q182-Y186 PolarHBondContact O-N 3.09Å
183G87.3Confident85.7Confident38 Ų38100.4 Ų100.439%0.39253%0.529SS..Hα-helixtrans-61.5-46.3173.100000112.8D179 A180 A181 Y186 Q187D179-G183 PolarHBondContact O-N 2.88Å; A180-G183 PolarHBondContact O-N 2.97Å; A181-G183 VanDerWaalsContact C-N 3.35Å; G183-Y186 PolarHBondContact O-N 3.17Å; G183-Q187 PolarHBondContact O-N 3.33Å
184E89.2Confident85.6Confident140 Ų14096.5 Ų96.565%0.65453%0.526SS*.Hα-helixtrans-65.3-42.5176.4-70.2-160.1163.900112.2A180 A181 Y186 Q187 L188A180-E184 PolarHBondContact O-N 2.8Å; A181-E184 PolarHBondContact O-N 3.06Å; E184-Y186 VanDerWaalsContact C-N 3.3Å; E184-Y186 PolarHBondContact O-N 3.14Å; E184-Q187 PolarHBondContact O-N 3.22Å; E184-L188 WeakPolarHBondContact O-CG 3.44Å; E184-L188 PolarHBondContact O-N 3.03Å
185L83.1Confident85.9Confident116 Ų11695.2 Ų95.261%0.60752%0.521SS*.Hα-helixtrans-60.1-41175.1-113.5151.8000111.9A181 Q182 L188 Q189A181-L185 WeakPolarHBondContact O-CB 3.05Å; A181-L185 PolarHBondContact O-N 2.94Å; Q182-L185 PolarHBondContact O-N 3.03Å; L185-L188 PolarHBondContact O-N 3.3Å; L185-Q189 WeakPolarHBondContact O-CB 3.46Å; L185-Q189 PolarHBondContact O-N 3.46Å
186Y83.1Confident86.1Confident170 Ų17098.3 Ų98.367%0.66753%0.527SS*.Hα-helixtrans-65.8-41.7176.2-173.1-96.2000111.9Q182 G183 E184 Q189 V190Q182-Y186 WeakPolarHBondContact O-CB 3.46Å; Q182-Y186 PolarHBondContact O-N 3.09Å; G183-Y186 PolarHBondContact O-N 3.17Å; E184-Y186 VanDerWaalsContact C-N 3.3Å; E184-Y186 PolarHBondContact O-N 3.14Å; Y186-Q189 PolarHBondContact O-N 3.06Å; Y186-V190 HydrophobicContact CD1-CG2 4.13Å; Y186-V190 HydrophobicContact CE1-CG2 3.77Å; Y186-V190 WeakPolarHBondContact O-CG2 3.43Å; Y186-V190 PolarHBondContact O-N 2.96Å
187Q89.6Confident85.9Confident133 Ų13397.4 Ų97.462%0.62153%0.527SS*.Hα-helixtrans-61.1-47.5174.4-78.7-155.9-9.700112G183 E184 Q189 V190 E191G183-Q187 PolarHBondContact O-N 3.33Å; E184-Q187 PolarHBondContact O-N 3.22Å; Q187-Q189 VanDerWaalsContact C-N 3.27Å; Q187-Q189 PolarHBondContact O-N 3.18Å; Q187-V190 PolarHBondContact O-N 3.11Å; Q187-V190 VanDerWaalsContact O-N 3.12Å; Q187-E191 PolarHBondContact O-N 3.23Å
188L80.9Confident86.1Confident109 Ų10995.7 Ų95.757%0.57152%0.521SS*.Hα-helixtrans-60.4-38.1177-71.5171.3000111.9E184 L185 E191 S192E184-L188 WeakPolarHBondContact O-CG 3.44Å; E184-L188 PolarHBondContact O-N 3.03Å; L185-L188 PolarHBondContact O-N 3.3Å; L188-E191 PolarHBondContact O-N 2.97Å; L188-S192 WeakPolarHBondContact O-CB 3.5Å; L188-S192 PolarHBondContact O-N 3Å
189Q86.8Confident86.2Confident106 Ų10698.7 Ų98.750%0.49553%0.532SS..Hα-helixtrans-64.8-40.7175.6-169.974.4-5.400111.8L185 Y186 Q187 N193L185-Q189 WeakPolarHBondContact O-CB 3.46Å; L185-Q189 PolarHBondContact O-N 3.46Å; Y186-Q189 PolarHBondContact O-N 3.06Å; Q187-Q189 VanDerWaalsContact C-N 3.27Å; Q187-Q189 PolarHBondContact O-N 3.18Å; Q189-N193 WeakPolarHBondContact O-CB 3.49Å; Q189-N193 VanDerWaalsContact O-CG 3.3Å; Q189-N193 PolarHBondContact O-N 3.35Å; Q189-N193 PolarHBondContact O-ND2 3.39Å
190V89.2Confident86.2Confident74 Ų74102.6 Ų102.645%0.44854%0.539SS..Hα-helixtrans-66.9-44.3177171.30000111.1Y186 Q187 N193 S194Y186-V190 HydrophobicContact CD1-CG2 4.13Å; Y186-V190 HydrophobicContact CE1-CG2 3.77Å; Y186-V190 WeakPolarHBondContact O-CG2 3.43Å; Y186-V190 PolarHBondContact O-N 2.96Å; Q187-V190 PolarHBondContact O-N 3.11Å; Q187-V190 VanDerWaalsContact O-N 3.12Å; V190-N193 PolarHBondContact O-N 2.92Å; V190-S194 WeakPolarHBondContact O-CB 3.5Å; V190-S194 PolarHBondContact O-N 3.33Å
191E86.9Confident86.4Confident128 Ų128108.3 Ų108.360%0.59855%0.547SS*.Hα-helixtrans-63.8-41.5176.1-72.4-170.7164.500112.2Q187 L188 S194 S195Q187-E191 PolarHBondContact O-N 3.23Å; L188-E191 PolarHBondContact O-N 2.97Å; E191-S194 PolarHBondContact O-N 3.39Å; E191-S195 WeakPolarHBondContact O-CB 3.43Å; E191-S195 PolarHBondContact O-N 3.01Å; E191-S195 PolarHBondContact O-OG 3.33Å
192S86.1Confident86.8Confident45 Ų45110.4 Ų110.432%0.31555%0.547SS..Hα-helixtrans-59.1-47.5172.8174.80000111.7L188 S194 S195 Q196L188-S192 WeakPolarHBondContact O-CB 3.5Å; L188-S192 PolarHBondContact O-N 3Å; S192-S194 PolarHBondContact O-N 3.47Å; S192-S195 WeakPolarHBondContact CA-OG 3.44Å; S192-S195 PolarHBondContact O-N 3.38Å; S192-S195 PolarHBondContact O-OG 2.93Å; S192-Q196 WeakPolarHBondContact O-CB 3.49Å; S192-Q196 WeakPolarHBondContact O-CG 3.27Å; S192-Q196 PolarHBondContact O-N 2.86Å
193N87.5Confident87Confident85 Ų85107.4 Ų107.446%0.45554%0.543SS..Hα-helixtrans-64.4-40.2177.8-77.9-22.4000112.3Q189 V190 Q196 L197Q189-N193 WeakPolarHBondContact O-CB 3.49Å; Q189-N193 VanDerWaalsContact O-CG 3.3Å; Q189-N193 PolarHBondContact O-N 3.35Å; Q189-N193 PolarHBondContact O-ND2 3.39Å; V190-N193 PolarHBondContact O-N 2.92Å; N193-Q196 PolarHBondContact O-N 3.41Å; N193-L197 WeakPolarHBondContact O-CB 3.26Å; N193-L197 PolarHBondContact O-N 3.24Å
194S86.8Confident87.2Confident80 Ų80107.9 Ų107.956%0.55955%0.548SS*.Hα-helixtrans-62.5-46.1176.1-177.70000111.8V190 E191 S192 L197 L198V190-S194 WeakPolarHBondContact O-CB 3.5Å; V190-S194 PolarHBondContact O-N 3.33Å; E191-S194 PolarHBondContact O-N 3.39Å; S192-S194 PolarHBondContact O-N 3.47Å; S194-L197 WeakPolarHBondContact O-CB 3.5Å; S194-L197 PolarHBondContact O-N 2.98Å; S194-L198 PolarHBondContact O-N 2.72Å
195S85.6Confident87.3Confident60 Ų60106 Ų10642%0.4254%0.542SS..Hα-helixtrans-67.9-36.4177.945.10000112.4E191 S192 L197 L198 L199E191-S195 WeakPolarHBondContact O-CB 3.43Å; E191-S195 PolarHBondContact O-N 3.01Å; E191-S195 PolarHBondContact O-OG 3.33Å; S192-S195 WeakPolarHBondContact CA-OG 3.44Å; S192-S195 PolarHBondContact O-N 3.38Å; S192-S195 PolarHBondContact O-OG 2.93Å; S195-L197 PolarHBondContact O-N 3Å; S195-L198 WeakPolarHBondContact O-CB 3.33Å; S195-L198 PolarHBondContact O-N 2.94Å; S195-L199 WeakPolarHBondContact O-CG 3.04Å; S195-L199 PolarHBondContact O-N 3.35Å
196Q86.4Confident87.6Confident95 Ų95106 Ų10644%0.44454%0.541SS..Hα-helixtrans-62.4-40.2169.9-75.8-175.87.500112.7S192 N193 L198 L199 R200S192-Q196 WeakPolarHBondContact O-CB 3.49Å; S192-Q196 WeakPolarHBondContact O-CG 3.27Å; S192-Q196 PolarHBondContact O-N 2.86Å; N193-Q196 PolarHBondContact O-N 3.41Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; Q196-L199 PolarHBondContact O-N 3.47Å; Q196-R200 WeakPolarHBondContact O-CG 3.33Å; Q196-R200 PolarHBondContact O-N 3.39Å
197L85.2Confident88Confident129 Ų129101.7 Ų101.768%0.67553%0.53SS*.Hα-helixtrans-64.8-40.8176.8-152.8104.7000111.1N193 S194 S195 R200 R201N193-L197 WeakPolarHBondContact O-CB 3.26Å; N193-L197 PolarHBondContact O-N 3.24Å; S194-L197 WeakPolarHBondContact O-CB 3.5Å; S194-L197 PolarHBondContact O-N 2.98Å; S195-L197 PolarHBondContact O-N 3Å; L197-R200 PolarHBondContact O-N 3.15Å; L197-R201 PolarHBondContact O-N 3.23Å
198L89.9Confident88.1Confident99 Ų9996.5 Ų96.552%0.51851%0.512SS..Hα-helixtrans-62.4-43.3174.6-16981.5000111.6S194 S195 Q196 R201 H202S194-L198 PolarHBondContact O-N 2.72Å; S195-L198 WeakPolarHBondContact O-CB 3.33Å; S195-L198 PolarHBondContact O-N 2.94Å; Q196-L198 VanDerWaalsContact C-N 3.34Å; L198-R201 PolarHBondContact O-N 3.34Å; L198-H202 PolarHBondContact O-N 3Å; L198-H202 PolarHBondContact O-ND1 3.18Å
199L86.2Confident88.5Confident121 Ų12196.1 Ų96.163%0.63451%0.51SS*.Hα-helixtrans-64.2-42.6177-75170.6000111.7S195 Q196 R201 H202 A203S195-L199 WeakPolarHBondContact O-CG 3.04Å; S195-L199 PolarHBondContact O-N 3.35Å; Q196-L199 PolarHBondContact O-N 3.47Å; L199-R201 VanDerWaalsContact C-N 3.31Å; L199-R201 PolarHBondContact O-N 3.29Å; L199-H202 PolarHBondContact O-N 3.13Å; L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 3.47Å
200R87.6Confident88.6Confident192 Ų19293.9 Ų93.973%0.72551%0.51SS*.Hα-helixtrans-61.5-39.7174-75.5-176.8-178.4-178.12.3112.1Q196 L197 A203 G204Q196-R200 WeakPolarHBondContact O-CG 3.33Å; Q196-R200 PolarHBondContact O-N 3.39Å; L197-R200 PolarHBondContact O-N 3.15Å; R200-A203 PolarHBondContact O-N 3.2Å; R200-G204 PolarHBondContact O-N 3.16Å
201R90.5Very high88.6Confident182 Ų18298.4 Ų98.469%0.68752%0.519SS*.Hα-helixtrans-63.7-44.7175.4-173.2174.9179.9179.4-0.6111.8L197 L198 L199 G204 L205L197-R201 PolarHBondContact O-N 3.23Å; L198-R201 PolarHBondContact O-N 3.34Å; L199-R201 VanDerWaalsContact C-N 3.31Å; L199-R201 PolarHBondContact O-N 3.29Å; R201-G204 PolarHBondContact O-N 3.07Å; R201-L205 WeakPolarHBondContact O-CG 3.4Å; R201-L205 PolarHBondContact O-N 3.2Å
202H91.3Very high88.9Confident97 Ų97100.7 Ų100.745%0.44952%0.522SS..Hα-helixtrans-64.7-40.1175.9-77.488.1000112.2L198 L199 G204 L205 L206L198-H202 PolarHBondContact O-N 3Å; L198-H202 PolarHBondContact O-ND1 3.18Å; L199-H202 PolarHBondContact O-N 3.13Å; H202-G204 VanDerWaalsContact C-N 3.32Å; H202-G204 PolarHBondContact O-N 3.45Å; H202-L205 PolarHBondContact O-N 3.05Å; H202-L206 WeakPolarHBondContact O-CB 3.41Å; H202-L206 WeakPolarHBondContact O-CG 3.41Å; H202-L206 PolarHBondContact O-N 3.43Å
203A88.8Confident89.2Confident57 Ų57103.2 Ų103.247%0.47154%0.535SS..Hα-helixtrans-59.4-42.9174.300000111.7L199 R200 L206 D207L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 3.47Å; R200-A203 PolarHBondContact O-N 3.2Å; A203-L206 PolarHBondContact O-N 2.86Å; A203-D207 PolarHBondContact O-N 2.79Å
204G90Very high89.3Confident47 Ų47101.1 Ų101.149%0.48553%0.533SS..Hα-helixtrans-64.4-38.6174.500000113.6R200 R201 H202 G208R200-G204 PolarHBondContact O-N 3.16Å; R201-G204 PolarHBondContact O-N 3.07Å; H202-G204 VanDerWaalsContact C-N 3.32Å; H202-G204 PolarHBondContact O-N 3.45Å; G204-G208 PolarHBondContact O-N 3.27Å
205L91.8Very high89.4Confident101 Ų101101.1 Ų101.153%0.52953%0.53SS..Hα-helixtrans-65.9-40.7174.4-70.9174.1000111.9R201 H202 G208 L209R201-L205 WeakPolarHBondContact O-CG 3.4Å; R201-L205 PolarHBondContact O-N 3.2Å; H202-L205 PolarHBondContact O-N 3.05Å; L205-G208 PolarHBondContact O-N 2.69Å; L205-L209 WeakPolarHBondContact O-CG 3.02Å; L205-L209 PolarHBondContact O-N 3.03Å
206L90.3Very high89.6Confident115 Ų115103.4 Ų103.460%0.60254%0.537SS*.Hα-helixtrans-66.6-41.7176.8-73171.1000111.8H202 A203 G208 L209 A210H202-L206 WeakPolarHBondContact O-CB 3.41Å; H202-L206 WeakPolarHBondContact O-CG 3.41Å; H202-L206 PolarHBondContact O-N 3.43Å; A203-L206 PolarHBondContact O-N 2.86Å; L206-G208 VanDerWaalsContact C-N 3.33Å; L206-G208 PolarHBondContact O-N 3.1Å; L206-L209 PolarHBondContact O-N 3.01Å; L206-A210 WeakPolarHBondContact O-CB 3.45Å; L206-A210 PolarHBondContact O-N 3.3Å
207D90Very high89.7Confident80 Ų80100.7 Ų100.743%0.42854%0.535SS..Hα-helixtrans-63.5-41.2174.5-166.451.3000111.2A203 L209 A210 R211A203-D207 PolarHBondContact O-N 2.79Å; D207-L209 PolarHBondContact O-N 2.99Å; D207-A210 PolarHBondContact O-N 2.94Å; D207-R211 WeakPolarHBondContact O-CG 3.45Å; D207-R211 PolarHBondContact O-N 3.07Å; D207-R211 IonicContact OD2-CZ 2.75Å; D207-R211 IonicContact OD2-NE 2.8Å; D207-R211 PolarHBondContact OD2-NE 3.42Å; D207-R211 IonicContact OD2-NH2 4Å; D207-R211 PolarHBondContact OD2-NH2 3.39Å
208G91.5Very high89.8Confident24 Ų24101.3 Ų101.325%0.24753%0.534CS..Hα-helixtrans-63.5-36.9174.300000113.7G204 L205 L206 R212G204-G208 PolarHBondContact O-N 3.27Å; L205-G208 PolarHBondContact O-N 2.69Å; L206-G208 VanDerWaalsContact C-N 3.33Å; L206-G208 PolarHBondContact O-N 3.1Å; G208-R212 PolarHBondContact O-N 2.8Å
209L90.9Very high89.8Confident101 Ų101102.1 Ų102.153%0.52954%0.535SS..Hα-helixtrans-69.4-45.1172.8-82.3167.1000111.3L205 L206 D207 R211 R212 V213L205-L209 WeakPolarHBondContact O-CG 3.02Å; L205-L209 PolarHBondContact O-N 3.03Å; L206-L209 PolarHBondContact O-N 3.01Å; D207-L209 PolarHBondContact O-N 2.99Å; L209-R211 VanDerWaalsContact C-N 3.31Å; L209-R211 PolarHBondContact O-N 2.64Å; L209-R212 PolarHBondContact O-N 2.87Å; L209-R212 VanDerWaalsContact O-N 3.15Å; L209-V213 WeakPolarHBondContact O-CG2 3.13Å; L209-V213 PolarHBondContact O-N 3.39Å
210A87.4Confident89.8Confident59 Ų59102.4 Ų102.449%0.48854%0.537SS..Hα-helixtrans-58.3-42.6178.300000111.6L206 D207 V213 G214L206-A210 WeakPolarHBondContact O-CB 3.45Å; L206-A210 PolarHBondContact O-N 3.3Å; D207-A210 PolarHBondContact O-N 2.94Å; A210-V213 PolarHBondContact O-N 2.86Å; A210-G214 PolarHBondContact O-N 3.02Å
211R90Very high89.7Confident170 Ų17096.1 Ų96.164%0.64253%0.526SS*.Hα-helixtrans-62.5-44.1174.4-72.1-179.5-162.2-173.66.2112.9D207 L209 V213 G214 V215D207-R211 WeakPolarHBondContact O-CG 3.45Å; D207-R211 PolarHBondContact O-N 3.07Å; D207-R211 IonicContact OD2-CZ 2.75Å; D207-R211 IonicContact OD2-NE 2.8Å; D207-R211 PolarHBondContact OD2-NE 3.42Å; D207-R211 IonicContact OD2-NH2 4Å; D207-R211 PolarHBondContact OD2-NH2 3.39Å; L209-R211 VanDerWaalsContact C-N 3.31Å; L209-R211 PolarHBondContact O-N 2.64Å; R211-V213 VanDerWaalsContact C-N 3.34Å; R211-V213 PolarHBondContact O-N 3.23Å; R211-G214 PolarHBondContact O-N 3.32Å; R211-V215 WeakPolarHBondContact O-CG2 3.47Å; R211-V215 PolarHBondContact O-N 3.19Å
212R93.5Very high89.5Confident176 Ų17693.2 Ų93.266%0.66452%0.524SS*.Hα-helixtrans-63.3-41176.9-74.4177.8-135.8-99.5-0.6112.1G208 L209 G214 V215 L216G208-R212 PolarHBondContact O-N 2.8Å; L209-R212 PolarHBondContact O-N 2.87Å; L209-R212 VanDerWaalsContact O-N 3.15Å; R212-G214 VanDerWaalsContact C-N 3.31Å; R212-V215 PolarHBondContact O-N 2.7Å; R212-L216 WeakPolarHBondContact O-CB 3.46Å; R212-L216 WeakPolarHBondContact O-CG 3.46Å; R212-L216 PolarHBondContact O-N 3.02Å
213V92.3Very high89.3Confident98 Ų9892.5 Ų92.559%0.59453%0.526SS*.Hα-helixtrans-64.2-39.3174.7172.80000110.7L209 A210 R211 L216 G217L209-V213 WeakPolarHBondContact O-CG2 3.13Å; L209-V213 PolarHBondContact O-N 3.39Å; A210-V213 PolarHBondContact O-N 2.86Å; R211-V213 VanDerWaalsContact C-N 3.34Å; R211-V213 PolarHBondContact O-N 3.23Å; V213-L216 PolarHBondContact O-N 3.34Å; V213-G217 PolarHBondContact O-N 3.33Å
214G88.8Confident89.2Confident40 Ų4090.8 Ų90.841%0.41251%0.514SS..Hα-helixtrans-58.7-50.6173.100000112.5A210 R211 R212 L216 G217 E218A210-G214 PolarHBondContact O-N 3.02Å; R211-G214 PolarHBondContact O-N 3.32Å; R212-G214 VanDerWaalsContact C-N 3.31Å; G214-L216 PolarHBondContact O-N 3.15Å; G214-G217 WeakPolarHBondContact O-CA 3.45Å; G214-G217 PolarHBondContact O-N 3.41Å; G214-E218 PolarHBondContact O-N 3.18Å
215V90.3Very high89.1Confident80 Ų8090 Ų9049%0.48551%0.506SS..Hα-helixtrans-59.8-46.1177.3173.50000111.4R211 R212 G217 E218 E219R211-V215 WeakPolarHBondContact O-CG2 3.47Å; R211-V215 PolarHBondContact O-N 3.19Å; R212-V215 PolarHBondContact O-N 2.7Å; V215-G217 PolarHBondContact O-N 2.96Å; V215-E218 PolarHBondContact O-N 3.4Å; V215-E219 PolarHBondContact O-N 3.33Å
216L89Confident88.9Confident108 Ų10889.7 Ų89.757%0.56551%0.508SS*.Hα-helixtrans-61.6-33.5175-75.8168.8000112.3R212 V213 G214 L220R212-L216 WeakPolarHBondContact O-CB 3.46Å; R212-L216 WeakPolarHBondContact O-CG 3.46Å; R212-L216 PolarHBondContact O-N 3.02Å; V213-L216 PolarHBondContact O-N 3.34Å; G214-L216 PolarHBondContact O-N 3.15Å; L216-L220 VanDerWaalsContact O-CB 3.29Å; L216-L220 WeakPolarHBondContact O-CB 3.49Å; L216-L220 PolarHBondContact O-N 3.03Å
217G88.5Confident88.6Confident39 Ų3989.3 Ų89.340%0.40251%0.506SS..Hα-helixtrans-65.3-41.7174.700000112.7V213 G214 V215 L220 A221V213-G217 PolarHBondContact O-N 3.33Å; G214-G217 WeakPolarHBondContact O-CA 3.45Å; G214-G217 PolarHBondContact O-N 3.41Å; V215-G217 PolarHBondContact O-N 2.96Å; G217-L220 PolarHBondContact O-N 2.9Å; G217-A221 WeakPolarHBondContact O-CB 3.31Å; G217-A221 PolarHBondContact O-N 2.91Å
218E88.2Confident88.5Confident142 Ų14293.2 Ų93.266%0.66452%0.515SS*.Hα-helixtrans-66.7-46.2174.6-69.5-172.6169.200111.6G214 V215 L220 A221 D222G214-E218 PolarHBondContact O-N 3.18Å; V215-E218 PolarHBondContact O-N 3.4Å; E218-L220 VanDerWaalsContact C-N 3.28Å; E218-L220 PolarHBondContact O-N 2.96Å; E218-A221 WeakPolarHBondContact O-CB 3.34Å; E218-A221 PolarHBondContact O-N 3.5Å; E218-A221 VanDerWaalsContact O-N 3.08Å; E218-D222 PolarHBondContact O-N 3.46Å
219E88Confident88.2Confident115 Ų11594.1 Ų94.154%0.53752%0.524SS..Hα-helixtrans-58.1-40.8175.1-72.1-174167.900111.8V215 D222 V223V215-E219 PolarHBondContact O-N 3.33Å; E219-D222 PolarHBondContact O-N 3.32Å; E219-V223 WeakPolarHBondContact O-CG2 3.42Å; E219-V223 PolarHBondContact O-N 3.03Å
220L86.9Confident88Confident128 Ų12894.6 Ų94.667%0.6753%0.527SS*.Hα-helixtrans-67.9-36.2176.9-166.773.1000112L216 G217 E218 G224L216-L220 VanDerWaalsContact O-CB 3.29Å; L216-L220 WeakPolarHBondContact O-CB 3.49Å; L216-L220 PolarHBondContact O-N 3.03Å; G217-L220 PolarHBondContact O-N 2.9Å; E218-L220 VanDerWaalsContact C-N 3.28Å; E218-L220 PolarHBondContact O-N 2.96Å; L220-G224 PolarHBondContact O-N 3.5Å
221A84.9Confident88.1Confident59 Ų5996.8 Ų96.849%0.48853%0.53SS..Hα-helixtrans-64.9-40.7175.300000111.5G217 E218 G224 G225G217-A221 WeakPolarHBondContact O-CB 3.31Å; G217-A221 PolarHBondContact O-N 2.91Å; E218-A221 WeakPolarHBondContact O-CB 3.34Å; E218-A221 PolarHBondContact O-N 3.5Å; E218-A221 VanDerWaalsContact O-N 3.08Å; A221-G224 PolarHBondContact O-N 3.42Å; A221-G225 PolarHBondContact O-N 3.36Å
222D87.9Confident87.8Confident121 Ų12195.7 Ų95.765%0.64753%0.532SS*.Hα-helixtrans-63.7-48.1174.8-84.4-3.4000111.6E218 E219 G224 G225 V226E218-D222 PolarHBondContact O-N 3.46Å; E219-D222 PolarHBondContact O-N 3.32Å; D222-G224 VanDerWaalsContact C-N 3.28Å; D222-G224 PolarHBondContact O-N 2.99Å; D222-G225 WeakPolarHBondContact O-CA 3.42Å; D222-G225 PolarHBondContact O-N 2.88Å; D222-V226 WeakPolarHBondContact O-CG2 3.39Å; D222-V226 PolarHBondContact O-N 3.04Å
223V87.1Confident87.5Confident82 Ų8290.4 Ų90.450%0.49752%0.522SS..Hα-helixtrans-58.7-42.6174.71710000110.8E219 G225 V226 L227E219-V223 WeakPolarHBondContact O-CG2 3.42Å; E219-V223 PolarHBondContact O-N 3.03Å; V223-G225 VanDerWaalsContact C-N 3.31Å; V223-G225 PolarHBondContact O-N 2.69Å; V223-V226 PolarHBondContact O-N 2.82Å; V223-L227 HydrophobicContact CG1-CD1 3.84Å; V223-L227 WeakPolarHBondContact O-CB 3.35Å; V223-L227 PolarHBondContact O-N 3.48Å
224G86.6Confident87.3Confident21 Ų2190.9 Ų90.922%0.21652%0.521CS..Hα-helixtrans-62-36.3173.800000113.1L220 A221 D222 R228L220-G224 PolarHBondContact O-N 3.5Å; A221-G224 PolarHBondContact O-N 3.42Å; D222-G224 VanDerWaalsContact C-N 3.28Å; D222-G224 PolarHBondContact O-N 2.99Å; G224-R228 WeakPolarHBondContact O-CG 3.47Å; G224-R228 PolarHBondContact O-N 2.92Å
225G86.9Confident87.3Confident32 Ų3292.6 Ų92.633%0.3353%0.527SS..Hα-helixtrans-62.3-50172.500000112.4A221 D222 V223 L227 R228 G229A221-G225 PolarHBondContact O-N 3.36Å; D222-G225 WeakPolarHBondContact O-CA 3.42Å; D222-G225 PolarHBondContact O-N 2.88Å; V223-G225 VanDerWaalsContact C-N 3.31Å; V223-G225 PolarHBondContact O-N 2.69Å; G225-L227 PolarHBondContact O-N 2.91Å; G225-R228 PolarHBondContact O-N 2.8Å; G225-G229 PolarHBondContact O-N 3.08Å
226V87.7Confident87.3Confident93 Ų9396.3 Ų96.356%0.56453%0.533SS*.Hα-helixtrans-60.5-46.1177.6175.30000111.2D222 V223 R228 G229 L230D222-V226 WeakPolarHBondContact O-CG2 3.39Å; D222-V226 PolarHBondContact O-N 3.04Å; V223-V226 PolarHBondContact O-N 2.82Å; V226-R228 VanDerWaalsContact C-N 3.35Å; V226-R228 PolarHBondContact O-N 3.08Å; V226-G229 PolarHBondContact O-N 3.11Å; V226-L230 HydrophobicContact CG1-CD1 4.1Å; V226-L230 HydrophobicContact CG1-CG 4.42Å; V226-L230 WeakPolarHBondContact O-CG 3.3Å; V226-L230 PolarHBondContact O-N 3.19Å
227L84.8Confident87.3Confident108 Ų10894.6 Ų94.657%0.56552%0.524SS*.Hα-helixtrans-59.6-42.2176.6-87.6154.2000112.5V223 G225 G229 L230 N231V223-L227 HydrophobicContact CG1-CD1 3.84Å; V223-L227 WeakPolarHBondContact O-CB 3.35Å; V223-L227 PolarHBondContact O-N 3.48Å; G225-L227 PolarHBondContact O-N 2.91Å; L227-G229 VanDerWaalsContact C-N 3.35Å; L227-L230 PolarHBondContact O-N 3.22Å; L227-N231 WeakPolarHBondContact O-CB 3.44Å; L227-N231 PolarHBondContact O-N 2.97Å
228R87Confident87.4Confident162 Ų16296.9 Ų96.961%0.61153%0.531SS*.Hα-helixtrans-64-40.3175.2-77.9-174.3-65.8-110.2-1.2112.1G224 G225 V226 N231 H232G224-R228 WeakPolarHBondContact O-CG 3.47Å; G224-R228 PolarHBondContact O-N 2.92Å; G225-R228 PolarHBondContact O-N 2.8Å; V226-R228 VanDerWaalsContact C-N 3.35Å; V226-R228 PolarHBondContact O-N 3.08Å; R228-N231 PolarHBondContact O-N 3.43Å; R228-H232 PolarHBondContact O-N 2.76Å; R228-H232 PolarHBondContact O-ND1 3.47Å; R228-H232 VanDerWaalsContact O-ND1 3.14Å
229G86.6Confident87.4Confident43 Ų4392.6 Ų92.644%0.44352%0.519SS..Hα-helixtrans-62.4-47.8175.400000112.2G225 V226 L227 N231 H232 S233G225-G229 PolarHBondContact O-N 3.08Å; V226-G229 PolarHBondContact O-N 3.11Å; L227-G229 VanDerWaalsContact C-N 3.35Å; G229-N231 VanDerWaalsContact C-N 3.34Å; G229-N231 PolarHBondContact O-N 2.97Å; G229-H232 PolarHBondContact O-N 2.92Å; G229-S233 PolarHBondContact O-N 3.2Å
230L85.7Confident87.6Confident110 Ų11089.8 Ų89.858%0.57651%0.508SS*.Hα-helixtrans-60.6-42.1175.3-71.9173.6000112V226 L227 H232 S233 L234V226-L230 HydrophobicContact CG1-CD1 4.1Å; V226-L230 HydrophobicContact CG1-CG 4.42Å; V226-L230 WeakPolarHBondContact O-CG 3.3Å; V226-L230 PolarHBondContact O-N 3.19Å; L227-L230 PolarHBondContact O-N 3.22Å; L230-H232 VanDerWaalsContact C-N 3.34Å; L230-H232 PolarHBondContact O-N 3.43Å; L230-S233 PolarHBondContact O-N 3.34Å; L230-L234 VanDerWaalsContact O-CB 3.31Å; L230-L234 WeakPolarHBondContact O-CB 3.39Å; L230-L234 PolarHBondContact O-N 3.37Å
231N88.8Confident87.7Confident106 Ų10688.7 Ų88.757%0.56750%0.499SS*.Hα-helixtrans-63.5-39.6177.7-168.734.1000112L227 R228 G229 S235L227-N231 WeakPolarHBondContact O-CB 3.44Å; L227-N231 PolarHBondContact O-N 2.97Å; R228-N231 PolarHBondContact O-N 3.43Å; G229-N231 VanDerWaalsContact C-N 3.34Å; G229-N231 PolarHBondContact O-N 2.97Å; N231-S235 WeakPolarHBondContact O-CB 3.49Å; N231-S235 PolarHBondContact O-N 3.03Å
232H85.4Confident88Confident146 Ų14694.1 Ų94.168%0.67651%0.507SS*.Hα-helixtrans-66.5-45174.7-86.164.9000112.2R228 G229 L230 S235 Y236R228-H232 PolarHBondContact O-N 2.76Å; R228-H232 PolarHBondContact O-ND1 3.47Å; R228-H232 VanDerWaalsContact O-ND1 3.14Å; G229-H232 PolarHBondContact O-N 2.92Å; L230-H232 VanDerWaalsContact C-N 3.34Å; L230-H232 PolarHBondContact O-N 3.43Å; H232-S235 PolarHBondContact O-N 3.31Å; H232-Y236 WeakPolarHBondContact O-CB 3.34Å; H232-Y236 PolarHBondContact O-N 3.28Å
233S87.1Confident88.1Confident65 Ų6591.4 Ų91.446%0.45550%0.495SS..Hα-helixtrans-60-48.2177.1-171.20000111.2G229 L230 S235 Y236 D237G229-S233 PolarHBondContact O-N 3.2Å; L230-S233 PolarHBondContact O-N 3.34Å; S233-S235 VanDerWaalsContact C-N 3.34Å; S233-S235 PolarHBondContact O-N 2.88Å; S233-Y236 PolarHBondContact O-N 3.09Å; S233-D237 PolarHBondContact O-N 3.2Å
234L87.9Confident88.3Confident109 Ų10994.1 Ų94.157%0.57150%0.496SS*.Hα-helixtrans-62.8-42178.3-175.668.7000111.3L230 Y236 D237 V238L230-L234 VanDerWaalsContact O-CB 3.31Å; L230-L234 WeakPolarHBondContact O-CB 3.39Å; L230-L234 PolarHBondContact O-N 3.37Å; L234-Y236 VanDerWaalsContact C-N 3.34Å; L234-Y236 PolarHBondContact O-N 3.32Å; L234-D237 PolarHBondContact O-N 2.87Å; L234-V238 HydrophobicContact CD1-CG2 4.41Å; L234-V238 HydrophobicContact CG-CG2 4.4Å; L234-V238 WeakPolarHBondContact O-CB 3.44Å; L234-V238 WeakPolarHBondContact O-CG2 3.31Å; L234-V238 PolarHBondContact O-N 3.07Å
235S89.3Confident88.5Confident76 Ų7698.7 Ų98.753%0.53152%0.515SS..Hα-helixtrans-61.5-42.5176.7-179.90000112N231 H232 S233 A239N231-S235 WeakPolarHBondContact O-CB 3.49Å; N231-S235 PolarHBondContact O-N 3.03Å; H232-S235 PolarHBondContact O-N 3.31Å; S233-S235 VanDerWaalsContact C-N 3.34Å; S233-S235 PolarHBondContact O-N 2.88Å; S235-A239 WeakPolarHBondContact O-CB 3.49Å; S235-A239 PolarHBondContact O-N 3.01Å
236Y89.6Confident88.7Confident157 Ų157101.9 Ų101.962%0.61652%0.521SS*.Hα-helixtrans-63.9-48.2176.1-178.6-94.7000111.7H232 S233 L234 V238 A239 L240H232-Y236 WeakPolarHBondContact O-CB 3.34Å; H232-Y236 PolarHBondContact O-N 3.28Å; S233-Y236 PolarHBondContact O-N 3.09Å; L234-Y236 VanDerWaalsContact C-N 3.34Å; L234-Y236 PolarHBondContact O-N 3.32Å; Y236-V238 VanDerWaalsContact C-N 3.34Å; Y236-V238 PolarHBondContact O-N 2.86Å; Y236-A239 WeakPolarHBondContact O-CB 3.44Å; Y236-A239 PolarHBondContact O-N 3.37Å; Y236-A239 VanDerWaalsContact O-N 3.16Å; Y236-L240 PolarHBondContact O-N 3.4Å
237D89.1Confident89Confident72 Ų72102.4 Ų102.439%0.38552%0.521SS..Hα-helixtrans-62-42.4179-72.8-23.6000111.6S233 L234 A239 L240 H241S233-D237 PolarHBondContact O-N 3.2Å; L234-D237 PolarHBondContact O-N 2.87Å; D237-A239 VanDerWaalsContact C-N 3.33Å; D237-A239 PolarHBondContact O-N 2.69Å; D237-L240 PolarHBondContact O-N 3.36Å; D237-H241 WeakPolarHBondContact O-CB 3.3Å; D237-H241 PolarHBondContact O-CD2 3.07Å; D237-H241 PolarHBondContact O-N 3.45Å
238V90.1Very high89.3Confident88 Ų88101.9 Ų101.953%0.53352%0.518SS..Hα-helixtrans-62.2-41.3175.2169.70000111.1L234 Y236 H241 R242L234-V238 HydrophobicContact CD1-CG2 4.41Å; L234-V238 HydrophobicContact CG-CG2 4.4Å; L234-V238 WeakPolarHBondContact O-CB 3.44Å; L234-V238 WeakPolarHBondContact O-CG2 3.31Å; L234-V238 PolarHBondContact O-N 3.07Å; Y236-V238 VanDerWaalsContact C-N 3.34Å; Y236-V238 PolarHBondContact O-N 2.86Å; V238-H241 PolarHBondContact O-N 3.13Å; V238-R242 WeakPolarHBondContact O-CB 3.42Å; V238-R242 PolarHBondContact O-N 3.48Å
239A88.7Confident89.6Confident51 Ų51103.6 Ų103.642%0.42153%0.525SS..Hα-helixtrans-65.6-40.5176.200000112.1S235 Y236 D237 R242 T243S235-A239 WeakPolarHBondContact O-CB 3.49Å; S235-A239 PolarHBondContact O-N 3.01Å; Y236-A239 WeakPolarHBondContact O-CB 3.44Å; Y236-A239 PolarHBondContact O-N 3.37Å; Y236-A239 VanDerWaalsContact O-N 3.16Å; D237-A239 VanDerWaalsContact C-N 3.33Å; D237-A239 PolarHBondContact O-N 2.69Å; A239-R242 WeakPolarHBondContact O-CB 3.42Å; A239-R242 PolarHBondContact O-N 3.09Å; A239-T243 PolarHBondContact O-N 2.93Å; A239-T243 PolarHBondContact O-OG1 3.24Å
240L90.7Very high90Very high57 Ų57105.4 Ų105.430%0.29853%0.527SS..Hα-helixtrans-66.3-41.8176.2-175.464.2000111.9Y236 D237 R242 T243 R244Y236-L240 PolarHBondContact O-N 3.4Å; D237-L240 PolarHBondContact O-N 3.36Å; L240-R242 VanDerWaalsContact C-N 3.31Å; L240-R242 PolarHBondContact O-N 2.9Å; L240-T243 PolarHBondContact O-N 2.85Å; L240-T243 PolarHBondContact O-OG1 2.98Å; L240-R244 WeakPolarHBondContact O-CG 3.3Å; L240-R244 PolarHBondContact O-N 3.47Å
241H90.1Very high90.4Very high105 Ų105105.4 Ų105.449%0.48653%0.527SS..Hα-helixtrans-65.4-37174.1-79.5-63.5000111.9D237 V238 R244 L245D237-H241 WeakPolarHBondContact O-CB 3.3Å; D237-H241 PolarHBondContact O-CD2 3.07Å; D237-H241 PolarHBondContact O-N 3.45Å; V238-H241 PolarHBondContact O-N 3.13Å; H241-R244 PolarHBondContact O-N 3.05Å; H241-L245 WeakPolarHBondContact O-CB 3.45Å; H241-L245 VanDerWaalsContact O-CG 3.25Å; H241-L245 WeakPolarHBondContact O-CG 3.44Å; H241-L245 PolarHBondContact O-N 3.2Å
242R90.8Very high90.5Very high172 Ų172105 Ų10565%0.64953%0.528SS*.Hα-helixtrans-61.3-44.2175.8-173.7-178.3-177.1118.4-1.8112V238 A239 L240 L245 Q246V238-R242 WeakPolarHBondContact O-CB 3.42Å; V238-R242 PolarHBondContact O-N 3.48Å; A239-R242 WeakPolarHBondContact O-CB 3.42Å; A239-R242 PolarHBondContact O-N 3.09Å; L240-R242 VanDerWaalsContact C-N 3.31Å; L240-R242 PolarHBondContact O-N 2.9Å; R242-L245 PolarHBondContact O-N 3.25Å; R242-Q246 VanDerWaalsContact O-CG 3.32Å; R242-Q246 WeakPolarHBondContact O-CG 3.06Å; R242-Q246 PolarHBondContact O-N 3.41Å
243T90.4Very high90.8Very high65 Ų65100.7 Ų100.740%0.39951%0.514SS..Hα-helixtrans-66.2-46.4177.650.60000111.4A239 L240 L245 Q246 D247A239-T243 PolarHBondContact O-N 2.93Å; A239-T243 PolarHBondContact O-OG1 3.24Å; L240-T243 PolarHBondContact O-N 2.85Å; L240-T243 PolarHBondContact O-OG1 2.98Å; T243-L245 VanDerWaalsContact C-N 3.29Å; T243-L245 PolarHBondContact O-N 3.5Å; T243-Q246 WeakPolarHBondContact O-CB 3.29Å; T243-Q246 PolarHBondContact O-N 3.42Å; T243-D247 PolarHBondContact O-N 2.99Å
244R91.5Very high91.2Very high139 Ų139101.4 Ų101.453%0.52551%0.513SS..Hα-helixtrans-57.4-40.2174.4-72.6178.2178175.90.6113.1L240 H241 D247 L248L240-R244 WeakPolarHBondContact O-CG 3.3Å; L240-R244 PolarHBondContact O-N 3.47Å; H241-R244 PolarHBondContact O-N 3.05Å; R244-D247 PolarHBondContact O-N 2.93Å; R244-L248 WeakPolarHBondContact O-CB 3.35Å; R244-L248 WeakPolarHBondContact O-CG 3.39Å; R244-L248 PolarHBondContact O-N 3Å
245L90.6Very high91.3Very high116 Ų11698.8 Ų98.861%0.60751%0.507SS*.Hα-helixtrans-68-34.8176.3-75.3171000112.4H241 R242 T243 R249H241-L245 WeakPolarHBondContact O-CB 3.45Å; H241-L245 VanDerWaalsContact O-CG 3.25Å; H241-L245 WeakPolarHBondContact O-CG 3.44Å; H241-L245 PolarHBondContact O-N 3.2Å; R242-L245 PolarHBondContact O-N 3.25Å; T243-L245 VanDerWaalsContact C-N 3.29Å; T243-L245 PolarHBondContact O-N 3.5Å; L245-R249 WeakPolarHBondContact O-CB 3.36Å; L245-R249 PolarHBondContact O-N 2.87Å
246Q91.3Very high91.4Very high100 Ų10097.8 Ų97.847%0.46750%0.5SS..Hα-helixtrans-66.3-45.2173.8-74.3172.2-16.100111.2R242 T243 R249 V250R242-Q246 VanDerWaalsContact O-CG 3.32Å; R242-Q246 WeakPolarHBondContact O-CG 3.06Å; R242-Q246 PolarHBondContact O-N 3.41Å; T243-Q246 WeakPolarHBondContact O-CB 3.29Å; T243-Q246 PolarHBondContact O-N 3.42Å; Q246-R249 WeakPolarHBondContact O-CB 3.46Å; Q246-R249 PolarHBondContact O-N 3.36Å; Q246-V250 PolarHBondContact O-N 3.4Å; Q246-V250 VanDerWaalsContact O-N 3.09Å
247D92.9Very high91.6Very high103 Ų10394.6 Ų94.655%0.55149%0.49SS*.Hα-helixtrans-63-44.9177.4-66.1-19.7000111.4T243 R244 R249 V250 L251T243-D247 PolarHBondContact O-N 2.99Å; R244-D247 PolarHBondContact O-N 2.93Å; D247-R249 VanDerWaalsContact C-N 3.29Å; D247-R249 PolarHBondContact O-N 3.33Å; D247-V250 PolarHBondContact O-N 3.35Å; D247-V250 VanDerWaalsContact O-N 3.16Å; D247-L251 WeakPolarHBondContact O-CG 3.25Å; D247-L251 PolarHBondContact O-N 3.31Å
248L92.3Very high91.8Very high98 Ų9895.2 Ų95.251%0.51349%0.494SS..Hα-helixtrans-59.4-40.1174.4-80.3170.3000112R244 V250 L251 V252R244-L248 WeakPolarHBondContact O-CB 3.35Å; R244-L248 WeakPolarHBondContact O-CG 3.39Å; R244-L248 PolarHBondContact O-N 3Å; L248-V250 VanDerWaalsContact C-N 3.33Å; L248-V250 PolarHBondContact O-N 2.93Å; L248-L251 PolarHBondContact O-N 3.48Å; L248-V252 WeakPolarHBondContact O-CB 3.37Å; L248-V252 VanDerWaalsContact O-CG2 3.25Å; L248-V252 WeakPolarHBondContact O-CG2 3.38Å; L248-V252 PolarHBondContact O-N 3.45Å
249R93.9Very high91.9Very high198 Ų19894.1 Ų94.175%0.74749%0.487SS*.Hα-helixtrans-61.1-42.6176.2173.5-179.2-96.5179.2-7111.4L245 Q246 D247 V252 S253L245-R249 WeakPolarHBondContact O-CB 3.36Å; L245-R249 PolarHBondContact O-N 2.87Å; Q246-R249 WeakPolarHBondContact O-CB 3.46Å; Q246-R249 PolarHBondContact O-N 3.36Å; D247-R249 VanDerWaalsContact C-N 3.29Å; D247-R249 PolarHBondContact O-N 3.33Å; R249-V252 PolarHBondContact O-N 2.88Å; R249-S253 PolarHBondContact O-N 3.12Å; R249-S253 PolarHBondContact O-OG 2.98Å
250V93.8Very high92.1Very high80 Ų8099.9 Ų99.949%0.48550%0.498SS..Hα-helixtrans-66.8-42.4178175.20000111.2Q246 D247 L248 V252 S253 N254Q246-V250 PolarHBondContact O-N 3.4Å; Q246-V250 VanDerWaalsContact O-N 3.09Å; D247-V250 PolarHBondContact O-N 3.35Å; D247-V250 VanDerWaalsContact O-N 3.16Å; L248-V250 VanDerWaalsContact C-N 3.33Å; L248-V250 PolarHBondContact O-N 2.93Å; V250-V252 PolarHBondContact O-N 3.47Å; V250-S253 WeakPolarHBondContact CA-OG 3.45Å; V250-S253 PolarHBondContact O-N 3.22Å; V250-S253 PolarHBondContact O-OG 3Å; V250-N254 WeakPolarHBondContact O-CB 2.98Å; V250-N254 VanDerWaalsContact O-CG 3.29Å; V250-N254 PolarHBondContact O-N 3.28Å; V250-N254 PolarHBondContact O-OD1 3.28Å
251L93.4Very high92.2Very high111 Ų111104.3 Ų104.358%0.58151%0.511SS*.Hα-helixtrans-61.2-45175.8-73.7170.6000111.7D247 L248 N254 A255D247-L251 WeakPolarHBondContact O-CG 3.25Å; D247-L251 PolarHBondContact O-N 3.31Å; L248-L251 PolarHBondContact O-N 3.48Å; L251-N254 PolarHBondContact O-N 2.91Å; L251-A255 WeakPolarHBondContact O-CB 3.39Å; L251-A255 PolarHBondContact O-N 3.43Å
252V92.6Very high92.3Very high98 Ų98105.1 Ų105.159%0.59452%0.518SS*.Hα-helixtrans-65.2-40.2177.6172.20000111.1L248 R249 V250 S256L248-V252 WeakPolarHBondContact O-CB 3.37Å; L248-V252 VanDerWaalsContact O-CG2 3.25Å; L248-V252 WeakPolarHBondContact O-CG2 3.38Å; L248-V252 PolarHBondContact O-N 3.45Å; R249-V252 PolarHBondContact O-N 2.88Å; V250-V252 PolarHBondContact O-N 3.47Å; V252-S256 VanDerWaalsContact O-CB 3.29Å; V252-S256 WeakPolarHBondContact O-CB 3.13Å; V252-S256 PolarHBondContact O-N 2.93Å; V252-S256 PolarHBondContact O-OG 2.93Å
253S91.5Very high92.4Very high54 Ų54105.1 Ų105.138%0.37852%0.518SS..Hα-helixtrans-64.4-45176.660.40000111.6R249 V250 S256 E257R249-S253 PolarHBondContact O-N 3.12Å; R249-S253 PolarHBondContact O-OG 2.98Å; V250-S253 WeakPolarHBondContact CA-OG 3.45Å; V250-S253 PolarHBondContact O-N 3.22Å; V250-S253 PolarHBondContact O-OG 3Å; S253-S256 PolarHBondContact O-N 3.05Å; S253-S256 PolarHBondContact O-OG 2.95Å; S253-E257 PolarHBondContact O-N 2.91Å
254N93.9Very high92.6Very high81 Ų81108.2 Ų108.243%0.43353%0.532SS..Hα-helixtrans-63.8-47.4178.3-71-1.1000111.3V250 L251 S256 E257 D258V250-N254 WeakPolarHBondContact O-CB 2.98Å; V250-N254 VanDerWaalsContact O-CG 3.29Å; V250-N254 PolarHBondContact O-N 3.28Å; V250-N254 PolarHBondContact O-OD1 3.28Å; L251-N254 PolarHBondContact O-N 2.91Å; N254-S256 PolarHBondContact O-N 3.34Å; N254-E257 PolarHBondContact O-N 2.95Å; N254-D258 PolarHBondContact O-N 3.41Å
255A90.6Very high92.6Very high53 Ų53104.1 Ų104.144%0.43853%0.527SS..Hα-helixtrans-60.1-36.7176.500000112.1L251 T259L251-A255 WeakPolarHBondContact O-CB 3.39Å; L251-A255 PolarHBondContact O-N 3.43Å; A255-T259 WeakPolarHBondContact O-CB 3.3Å; A255-T259 PolarHBondContact O-N 3.35Å; A255-T259 PolarHBondContact O-OG1 2.86Å
256S92.1Very high92.7Very high55 Ų55103.5 Ų103.539%0.38552%0.521SS..Hα-helixtrans-67.2-37.2175.379.80000112.4V252 S253 N254 R260V252-S256 VanDerWaalsContact O-CB 3.29Å; V252-S256 WeakPolarHBondContact O-CB 3.13Å; V252-S256 PolarHBondContact O-N 2.93Å; V252-S256 PolarHBondContact O-OG 2.93Å; S253-S256 PolarHBondContact O-N 3.05Å; S253-S256 PolarHBondContact O-OG 2.95Å; N254-S256 PolarHBondContact O-N 3.34Å; S256-R260 WeakPolarHBondContact O-CG 3.43Å; S256-R260 PolarHBondContact O-N 3.34Å; S256-R260 VanDerWaalsContact O-N 3.09Å
257E92.8Very high92.9Very high90 Ų90102.9 Ų102.942%0.42152%0.524SS..Hα-helixtrans-70.6-43.6176.5-166.3178.3157.100111.4S253 N254 T259 R260 R261S253-E257 PolarHBondContact O-N 2.91Å; N254-E257 PolarHBondContact O-N 2.95Å; E257-T259 VanDerWaalsContact C-N 3.29Å; E257-T259 PolarHBondContact O-N 2.93Å; E257-R260 WeakPolarHBondContact O-CA 3.46Å; E257-R260 WeakPolarHBondContact O-CB 3.38Å; E257-R260 PolarHBondContact O-N 3.45Å; E257-R261 WeakPolarHBondContact O-CG 3.42Å; E257-R261 PolarHBondContact O-N 3.33Å; E257-R261 IonicContact OE1-CZ 3.85Å; E257-R261 IonicContact OE1-NE 3.96Å; E257-R261 PolarHBondContact OE1-NE 2.92Å; E257-R261 IonicContact OE1-NH2 2.88Å; E257-R261 PolarHBondContact OE1-NH2 2.8Å
258D93.8Very high92.9Very high85 Ų8599.8 Ų99.846%0.45552%0.516SS..Hα-helixtrans-59.9-41.5174.2-73.6-19.7000111.2N254 R260 R261 L262N254-D258 PolarHBondContact O-N 3.41Å; D258-R260 VanDerWaalsContact C-N 3.29Å; D258-R260 PolarHBondContact O-N 3.5Å; D258-R261 PolarHBondContact O-N 2.7Å; D258-L262 WeakPolarHBondContact O-CB 3.28Å; D258-L262 WeakPolarHBondContact O-CG 3.45Å; D258-L262 PolarHBondContact O-N 3.27Å
259T92.3Very high92.9Very high65 Ų65100.6 Ų100.640%0.39952%0.519SS..Hα-helixtrans-61.3-38.7174.4-55.40000111.3A255 E257 R263A255-T259 WeakPolarHBondContact O-CB 3.3Å; A255-T259 PolarHBondContact O-N 3.35Å; A255-T259 PolarHBondContact O-OG1 2.86Å; E257-T259 VanDerWaalsContact C-N 3.29Å; E257-T259 PolarHBondContact O-N 2.93Å; T259-R263 WeakPolarHBondContact O-CG 3.42Å; T259-R263 PolarHBondContact O-N 2.99Å; T259-R263 VanDerWaalsContact O-N 3.08Å
260R92.6Very high92.9Very high173 Ų17395.3 Ų95.365%0.65350%0.503SS*.Hα-helixtrans-66.2-43.6174.6-71.8173.7-175.4-177.72.1111.5S256 E257 D258 R263 L264S256-R260 WeakPolarHBondContact O-CG 3.43Å; S256-R260 PolarHBondContact O-N 3.34Å; S256-R260 VanDerWaalsContact O-N 3.09Å; E257-R260 WeakPolarHBondContact O-CA 3.46Å; E257-R260 WeakPolarHBondContact O-CB 3.38Å; E257-R260 PolarHBondContact O-N 3.45Å; D258-R260 VanDerWaalsContact C-N 3.29Å; D258-R260 PolarHBondContact O-N 3.5Å; R260-R263 PolarHBondContact O-N 3.32Å; R260-L264 WeakPolarHBondContact O-CG 3.44Å; R260-L264 PolarHBondContact O-N 3.29Å
261R93.3Very high92.9Very high149 Ų14996.9 Ų96.956%0.56251%0.507SS*.Hα-helixtrans-61.3-44.8177.2-69.3177-176.6-168.72.9111.6E257 D258 R263 L264 A265E257-R261 WeakPolarHBondContact O-CG 3.42Å; E257-R261 PolarHBondContact O-N 3.33Å; E257-R261 IonicContact OE1-CZ 3.85Å; E257-R261 IonicContact OE1-NE 3.96Å; E257-R261 PolarHBondContact OE1-NE 2.92Å; E257-R261 IonicContact OE1-NH2 2.88Å; E257-R261 PolarHBondContact OE1-NH2 2.8Å; D258-R261 PolarHBondContact O-N 2.7Å; R261-R263 VanDerWaalsContact C-N 3.34Å; R261-R263 PolarHBondContact O-N 2.99Å; R261-L264 PolarHBondContact O-N 2.96Å; R261-A265 PolarHBondContact O-N 3.37Å
262L92.9Very high93Very high122 Ų12297.3 Ų97.364%0.63951%0.507SS*.Hα-helixtrans-60-42175.1-80.7163000112.1D258 A265 H266D258-L262 WeakPolarHBondContact O-CB 3.28Å; D258-L262 WeakPolarHBondContact O-CG 3.45Å; D258-L262 PolarHBondContact O-N 3.27Å; L262-A265 PolarHBondContact O-N 3.32Å; L262-H266 WeakPolarHBondContact O-CB 3.42Å; L262-H266 PolarHBondContact O-N 3.49Å
263R92.3Very high93Very high173 Ų17398.4 Ų98.465%0.65351%0.509SS*.Hα-helixtrans-62-43.9174.9-74.6179.7-166.7177.13.9112.2T259 R260 R261 H266 V267T259-R263 WeakPolarHBondContact O-CG 3.42Å; T259-R263 PolarHBondContact O-N 2.99Å; T259-R263 VanDerWaalsContact O-N 3.08Å; R260-R263 PolarHBondContact O-N 3.32Å; R261-R263 VanDerWaalsContact C-N 3.34Å; R261-R263 PolarHBondContact O-N 2.99Å; R263-H266 PolarHBondContact O-N 3.41Å; R263-V267 WeakPolarHBondContact O-CG2 3.4Å; R263-V267 PolarHBondContact O-N 3.43Å
264L93.9Very high93.1Very high130 Ų130102.5 Ų102.568%0.68152%0.52SS*.Hα-helixtrans-63.5-42.8177.4-69.2173.1000111.7R260 R261 H266 V267 G268R260-L264 WeakPolarHBondContact O-CG 3.44Å; R260-L264 PolarHBondContact O-N 3.29Å; R261-L264 PolarHBondContact O-N 2.96Å; L264-H266 VanDerWaalsContact C-N 3.34Å; L264-H266 PolarHBondContact O-N 3.22Å; L264-V267 PolarHBondContact O-N 3.38Å; L264-G268 PolarHBondContact O-N 2.86Å
265A92.6Very high93.1Very high52 Ų52105 Ų10543%0.4353%0.529SS..Hα-helixtrans-62.1-41.9174.600000111.7R261 L262 G268 M269R261-A265 PolarHBondContact O-N 3.37Å; L262-A265 PolarHBondContact O-N 3.32Å; A265-G268 PolarHBondContact O-N 2.82Å; A265-M269 WeakPolarHBondContact O-CG 3.37Å; A265-M269 PolarHBondContact O-N 3.26Å
266H93.1Very high93.2Very high103 Ų103107 Ų10748%0.47753%0.529SS..Hα-helixtrans-60.7-47.7176-173.966000111.9L262 R263 L264 G268 M269 E270L262-H266 WeakPolarHBondContact O-CB 3.42Å; L262-H266 PolarHBondContact O-N 3.49Å; R263-H266 PolarHBondContact O-N 3.41Å; L264-H266 VanDerWaalsContact C-N 3.34Å; L264-H266 PolarHBondContact O-N 3.22Å; H266-G268 VanDerWaalsContact C-N 3.29Å; H266-G268 PolarHBondContact O-N 2.93Å; H266-M269 PolarHBondContact O-N 3.3Å; H266-E270 IonicContact NE2-OE1 3.8Å; H266-E270 PolarHBondContact NE2-OE1 3.2Å; H266-E270 WeakPolarHBondContact O-CG 3.48Å; H266-E270 PolarHBondContact O-N 2.96Å
267V93.9Very high93.3Very high88 Ų88109.2 Ų109.253%0.53354%0.536SS..Hα-helixtrans-60-40175.4171.60000111.5R263 L264 E270 L271R263-V267 WeakPolarHBondContact O-CG2 3.4Å; R263-V267 PolarHBondContact O-N 3.43Å; L264-V267 PolarHBondContact O-N 3.38Å; V267-E270 PolarHBondContact O-N 3.37Å; V267-L271 PolarHBondContact O-N 2.87Å
268G93.8Very high93.2Very high37 Ų37107.6 Ų107.638%0.38154%0.538SS..Hα-helixtrans-62.7-46.2175.100000112.8L264 A265 H266 L271 Q272L264-G268 PolarHBondContact O-N 2.86Å; A265-G268 PolarHBondContact O-N 2.82Å; H266-G268 VanDerWaalsContact C-N 3.29Å; H266-G268 PolarHBondContact O-N 2.93Å; G268-L271 PolarHBondContact O-N 3.49Å; G268-Q272 PolarHBondContact O-N 3.46Å
269M92.1Very high93.1Very high115 Ų115108.9 Ų108.957%0.56754%0.543SS*.Hα-helixtrans-63.4-39.8175.4-72.4-174.8-6800112.1A265 H266 L271 Q272 L273A265-M269 WeakPolarHBondContact O-CG 3.37Å; A265-M269 PolarHBondContact O-N 3.26Å; H266-M269 PolarHBondContact O-N 3.3Å; M269-L271 VanDerWaalsContact C-N 3.33Å; M269-L271 PolarHBondContact O-N 3.15Å; M269-Q272 PolarHBondContact O-N 2.91Å; M269-L273 WeakPolarHBondContact O-CB 3.34Å; M269-L273 PolarHBondContact O-N 3Å
270E94.3Very high93Very high88 Ų88111.2 Ų111.241%0.41155%0.552SS.*Hα-helixtrans-61.5-41174.3-76.7-166.8153.100112H266 V267 L273 K274H266-E270 IonicContact NE2-OE1 3.8Å; H266-E270 PolarHBondContact NE2-OE1 3.2Å; H266-E270 WeakPolarHBondContact O-CG 3.48Å; H266-E270 PolarHBondContact O-N 2.96Å; V267-E270 PolarHBondContact O-N 3.37Å; E270-L273 PolarHBondContact O-N 2.88Å; E270-K274 WeakPolarHBondContact O-CG 3.46Å; E270-K274 PolarHBondContact O-N 3.38Å
271L94.2Very high92.8Very high112 Ų112107.5 Ų107.559%0.58655%0.545SS*.Hα-helixtrans-65.1-44176.7-174.667.6000111.1V267 G268 M269 K274 Q275V267-L271 PolarHBondContact O-N 2.87Å; G268-L271 PolarHBondContact O-N 3.49Å; M269-L271 VanDerWaalsContact C-N 3.33Å; M269-L271 PolarHBondContact O-N 3.15Å; L271-K274 PolarHBondContact O-N 2.94Å; L271-Q275 PolarHBondContact O-N 3.39Å
272Q94Very high92.6Very high121 Ų121103.4 Ų103.457%0.56554%0.543SS*.Hα-helixtrans-60.9-46.2175.8-173.6173.7-13.700111G268 M269 K274 Q275 E276G268-Q272 PolarHBondContact O-N 3.46Å; M269-Q272 PolarHBondContact O-N 2.91Å; Q272-K274 VanDerWaalsContact C-N 3.31Å; Q272-K274 PolarHBondContact O-N 3.4Å; Q272-Q275 PolarHBondContact O-N 2.99Å; Q272-E276 HydrophobicContact CG-CG 4.49Å; Q272-E276 WeakPolarHBondContact O-CG 3.4Å; Q272-E276 PolarHBondContact O-N 3Å
273L93.8Very high92.5Very high121 Ų121101.3 Ų101.363%0.63454%0.535SS*.Hα-helixtrans-58.5-42.7176.3-176.166.8000111.7M269 E270 Q275 E276 L277M269-L273 WeakPolarHBondContact O-CB 3.34Å; M269-L273 PolarHBondContact O-N 3Å; E270-L273 PolarHBondContact O-N 2.88Å; L273-Q275 VanDerWaalsContact C-N 3.31Å; L273-Q275 PolarHBondContact O-N 2.97Å; L273-E276 PolarHBondContact O-N 3.19Å; L273-L277 VanDerWaalsContact O-CB 3.31Å; L273-L277 WeakPolarHBondContact O-CB 3.4Å; L273-L277 PolarHBondContact O-N 3.33Å
274K93.1Very high92.2Very high140 Ų14096.5 Ų96.561%0.60953%0.525SS*.Hα-helixtrans-61.9-38.2175.2-75.8172.8-178.3170.80112.2E270 L271 Q272 A278E270-K274 WeakPolarHBondContact O-CG 3.46Å; E270-K274 PolarHBondContact O-N 3.38Å; L271-K274 PolarHBondContact O-N 2.94Å; Q272-K274 VanDerWaalsContact C-N 3.31Å; Q272-K274 PolarHBondContact O-N 3.4Å; K274-A278 WeakPolarHBondContact O-CB 3.33Å; K274-A278 PolarHBondContact O-N 2.88Å
275Q93.9Very high91.9Very high134 Ų13495.4 Ų95.463%0.62652%0.516SS*.Hα-helixtrans-72.1-42.2179.4-170.1151.24.700112.4L271 Q272 L273 L277 A278 M279L271-Q275 PolarHBondContact O-N 3.39Å; Q272-Q275 PolarHBondContact O-N 2.99Å; L273-Q275 VanDerWaalsContact C-N 3.31Å; L273-Q275 PolarHBondContact O-N 2.97Å; Q275-L277 VanDerWaalsContact C-N 3.34Å; Q275-A278 WeakPolarHBondContact O-CB 3.2Å; Q275-A278 PolarHBondContact O-N 3.08Å; Q275-M279 PolarHBondContact O-N 3.32Å
276E93.3Very high91.4Very high95 Ų9596.7 Ų96.744%0.44452%0.516SS..Hα-helixtrans-61.1-43.3172.2-66.4-60.7158.100111Q272 L273 A278 M279 L280Q272-E276 HydrophobicContact CG-CG 4.49Å; Q272-E276 WeakPolarHBondContact O-CG 3.4Å; Q272-E276 PolarHBondContact O-N 3Å; L273-E276 PolarHBondContact O-N 3.19Å; E276-A278 VanDerWaalsContact C-N 3.31Å; E276-A278 PolarHBondContact O-N 3.48Å; E276-M279 PolarHBondContact O-N 2.98Å; E276-L280 WeakPolarHBondContact O-CB 3.34Å; E276-L280 PolarHBondContact O-N 3.06Å
277L93.1Very high90.9Very high100 Ų10096.8 Ų96.852%0.52452%0.52SS..Hα-helixtrans-62.3-39.1175.7-158.691.2000111.7L273 Q275 L280 N281L273-L277 VanDerWaalsContact O-CB 3.31Å; L273-L277 WeakPolarHBondContact O-CB 3.4Å; L273-L277 PolarHBondContact O-N 3.33Å; Q275-L277 VanDerWaalsContact C-N 3.34Å; L277-L280 PolarHBondContact O-N 3.45Å; L277-N281 WeakPolarHBondContact O-CB 3.45Å; L277-N281 VanDerWaalsContact O-CG 3.3Å; L277-N281 PolarHBondContact O-N 2.96Å
278A91.5Very high90.1Very high57 Ų57100.4 Ų100.447%0.47152%0.524SS..Hα-helixtrans-65.5-40.2175.500000112.1K274 Q275 E276 N281 A282K274-A278 WeakPolarHBondContact O-CB 3.33Å; K274-A278 PolarHBondContact O-N 2.88Å; Q275-A278 WeakPolarHBondContact O-CB 3.2Å; Q275-A278 PolarHBondContact O-N 3.08Å; E276-A278 VanDerWaalsContact C-N 3.31Å; E276-A278 PolarHBondContact O-N 3.48Å; A278-N281 PolarHBondContact O-N 3.47Å; A278-A282 PolarHBondContact O-N 2.96Å
279M90.4Very high89.4Confident112 Ų112103.5 Ų103.555%0.55253%0.531SS*.Hα-helixtrans-63.4-45.3173.5-169.2-168-57.900111Q275 E276 N281 A282 V283Q275-M279 PolarHBondContact O-N 3.32Å; E276-M279 PolarHBondContact O-N 2.98Å; M279-N281 VanDerWaalsContact C-N 3.32Å; M279-N281 PolarHBondContact O-N 3.21Å; M279-A282 WeakPolarHBondContact O-CB 3.37Å; M279-A282 PolarHBondContact O-N 3.4Å; M279-A282 VanDerWaalsContact O-N 3.16Å; M279-V283 WeakPolarHBondContact O-CG2 3.32Å; M279-V283 PolarHBondContact O-N 2.99Å
280L90.1Very high88.8Confident114 Ų114102.7 Ų102.760%0.59752%0.524SS*.Hα-helixtrans-61-42.5178.1-147.994.2000111.3E276 L277 V283 T284E276-L280 WeakPolarHBondContact O-CB 3.34Å; E276-L280 PolarHBondContact O-N 3.06Å; L277-L280 PolarHBondContact O-N 3.45Å; L280-V283 PolarHBondContact O-N 3.17Å; L280-T284 WeakPolarHBondContact O-CB 3.43Å; L280-T284 PolarHBondContact O-N 3.32Å; L280-T284 PolarHBondContact O-OG1 3.44Å
281N89.6Confident88Confident95 Ų95104 Ų10451%0.50853%0.534SS..Hα-helixtrans-62-41.8174.8-77.7-13.5000111.8L277 A278 M279 T284 E285L277-N281 WeakPolarHBondContact O-CB 3.45Å; L277-N281 VanDerWaalsContact O-CG 3.3Å; L277-N281 PolarHBondContact O-N 2.96Å; A278-N281 PolarHBondContact O-N 3.47Å; M279-N281 VanDerWaalsContact C-N 3.32Å; M279-N281 PolarHBondContact O-N 3.21Å; N281-T284 PolarHBondContact O-N 2.91Å; N281-E285 PolarHBondContact O-N 3.02Å
282A89.3Confident87.1Confident63 Ų63106.3 Ų106.352%0.52154%0.535SS..Hα-helixtrans-63.2-44.8176.400000112.1A278 M279 T284 E285 D286A278-A282 PolarHBondContact O-N 2.96Å; M279-A282 WeakPolarHBondContact O-CB 3.37Å; M279-A282 PolarHBondContact O-N 3.4Å; M279-A282 VanDerWaalsContact O-N 3.16Å; A282-T284 VanDerWaalsContact C-N 3.31Å; A282-T284 PolarHBondContact O-N 2.91Å; A282-E285 PolarHBondContact O-N 3.47Å; A282-D286 PolarHBondContact O-N 2.93Å
283V89.8Confident86.2Confident78 Ų78105.7 Ų105.747%0.47353%0.532SS..Hα-helixtrans-62.7-39.8174.4173.70000111M279 L280 D286 L287M279-V283 WeakPolarHBondContact O-CG2 3.32Å; M279-V283 PolarHBondContact O-N 2.99Å; L280-V283 PolarHBondContact O-N 3.17Å; V283-D286 PolarHBondContact O-N 3.27Å; V283-L287 HydrophobicContact CG1-CD1 4.02Å; V283-L287 HydrophobicContact CG1-CG 4.43Å; V283-L287 WeakPolarHBondContact O-CB 3.47Å; V283-L287 WeakPolarHBondContact O-CG 3.34Å; V283-L287 PolarHBondContact O-N 3.49Å
284T86.5Confident85Confident72 Ų72105.8 Ų105.844%0.44253%0.529SS..Hα-helixtrans-64.9-43.5178.8-55.20000111.1L280 N281 A282 L287 R288L280-T284 WeakPolarHBondContact O-CB 3.43Å; L280-T284 PolarHBondContact O-N 3.32Å; L280-T284 PolarHBondContact O-OG1 3.44Å; N281-T284 PolarHBondContact O-N 2.91Å; A282-T284 VanDerWaalsContact C-N 3.31Å; A282-T284 PolarHBondContact O-N 2.91Å; T284-L287 PolarHBondContact O-N 3.37Å; T284-R288 WeakPolarHBondContact O-CB 3.45Å; T284-R288 PolarHBondContact O-N 3.2Å
285E86.8Confident84Confident106 Ų106101.7 Ų101.750%0.49552%0.518SS..Hα-helixtrans-66.7-37.4174.5-75.7-61.6162.300112.5N281 A282 R288 L289N281-E285 PolarHBondContact O-N 3.02Å; A282-E285 PolarHBondContact O-N 3.47Å; E285-R288 WeakPolarHBondContact O-CB 3.22Å; E285-R288 PolarHBondContact O-N 2.85Å; E285-R288 IonicContact OE1-NE 3.27Å; E285-R288 IonicContact OE2-NE 3.47Å; E285-R288 PolarHBondContact OE2-NE 3.31Å; E285-R288 VanDerWaalsContact OE2-NE 3.1Å; E285-L289 WeakPolarHBondContact O-CB 3.37Å; E285-L289 PolarHBondContact O-N 3.05Å
286D83.5Confident82.6Confident79 Ų7998.5 Ų98.542%0.42251%0.505SS..Hα-helixtrans-62.8-43.5173.6-172.362.2000111.8A282 V283 R288 L289 K290A282-D286 PolarHBondContact O-N 2.93Å; V283-D286 PolarHBondContact O-N 3.27Å; D286-R288 VanDerWaalsContact C-N 3.33Å; D286-L289 WeakPolarHBondContact O-CB 3.4Å; D286-L289 PolarHBondContact O-N 3.34Å; D286-K290 PolarHBondContact O-N 2.89Å; D286-K290 IonicContact OD2-NZ 2.8Å; D286-K290 PolarHBondContact OD2-NZ 2.91Å
287L81.1Confident81Confident105 Ų10596.8 Ų96.855%0.5551%0.507SS..Hα-helixtrans-62.9-40.2172.5-74.5170.5000111.4V283 T284 L289 K290 D291V283-L287 HydrophobicContact CG1-CD1 4.02Å; V283-L287 HydrophobicContact CG1-CG 4.43Å; V283-L287 WeakPolarHBondContact O-CB 3.47Å; V283-L287 WeakPolarHBondContact O-CG 3.34Å; V283-L287 PolarHBondContact O-N 3.49Å; T284-L287 PolarHBondContact O-N 3.37Å; L287-L289 VanDerWaalsContact C-N 3.32Å; L287-L289 PolarHBondContact O-N 2.98Å; L287-K290 PolarHBondContact O-N 2.96Å; L287-D291 VanDerWaalsContact O-CB 3.3Å; L287-D291 WeakPolarHBondContact O-CB 3.4Å; L287-D291 PolarHBondContact O-N 3.46Å
288R78.9Confident79.4Confident165 Ų16597.7 Ų97.762%0.62351%0.511SS*.Hα-helixtrans-62.6-39.1175.8-131.9174.177.597.52.7111.8T284 E285 D286 D291 W292T284-R288 WeakPolarHBondContact O-CB 3.45Å; T284-R288 PolarHBondContact O-N 3.2Å; E285-R288 WeakPolarHBondContact O-CB 3.22Å; E285-R288 PolarHBondContact O-N 2.85Å; E285-R288 IonicContact OE1-NE 3.27Å; E285-R288 IonicContact OE2-NE 3.47Å; E285-R288 PolarHBondContact OE2-NE 3.31Å; E285-R288 VanDerWaalsContact OE2-NE 3.1Å; D286-R288 VanDerWaalsContact C-N 3.33Å; R288-D291 PolarHBondContact O-N 3.25Å; R288-W292 WeakPolarHBondContact O-CB 3.42Å; R288-W292 PolarHBondContact O-N 3.14Å
289L78.4Confident77.8Confident101 Ų101104.2 Ų104.253%0.52952%0.524SS..Hα-helixtrans-65.4-46.6176.2-143.688.9000110.6E285 D286 L287 D291 W292 E293E285-L289 WeakPolarHBondContact O-CB 3.37Å; E285-L289 PolarHBondContact O-N 3.05Å; D286-L289 WeakPolarHBondContact O-CB 3.4Å; D286-L289 PolarHBondContact O-N 3.34Å; L287-L289 VanDerWaalsContact C-N 3.32Å; L287-L289 PolarHBondContact O-N 2.98Å; L289-D291 VanDerWaalsContact C-N 3.34Å; L289-D291 PolarHBondContact O-N 3.02Å; L289-W292 WeakPolarHBondContact O-CB 3.33Å; L289-W292 PolarHBondContact O-N 3.34Å; L289-E293 WeakPolarHBondContact O-CG 3.42Å; L289-E293 PolarHBondContact O-N 2.87Å
290K78.6Confident76Confident99 Ų99105.5 Ų105.543%0.4353%0.533SS..Hα-helixtrans-63.5-37175.5-77173.8176.7145.90113.1D286 L287 E293 H294D286-K290 PolarHBondContact O-N 2.89Å; D286-K290 IonicContact OD2-NZ 2.8Å; D286-K290 PolarHBondContact OD2-NZ 2.91Å; L287-K290 PolarHBondContact O-N 2.96Å; K290-E293 PolarHBondContact O-N 3.44Å; K290-H294 PolarHBondContact O-N 3.45Å; K290-H294 PolarHBondContact O-ND1 3.24Å
291D78.4Confident74.4Confident115 Ų115106.7 Ų106.762%0.61554%0.538SS*.Hα-helixtrans-71.8-34.6176.6-159.736000110.9L287 R288 L289 H294 S295L287-D291 VanDerWaalsContact O-CB 3.3Å; L287-D291 WeakPolarHBondContact O-CB 3.4Å; L287-D291 PolarHBondContact O-N 3.46Å; R288-D291 PolarHBondContact O-N 3.25Å; L289-D291 VanDerWaalsContact C-N 3.34Å; L289-D291 PolarHBondContact O-N 3.02Å; D291-H294 PolarHBondContact O-N 2.87Å; D291-S295 VanDerWaalsContact O-CB 3.24Å; D291-S295 WeakPolarHBondContact O-CB 3.35Å; D291-S295 PolarHBondContact O-N 3.34Å
292W74.3Confident72.1Confident160 Ų160106.6 Ų106.661%0.60655%0.546SS*.Hα-helixtrans-64.9-42.5169.6-18084.8000112.3R288 L289 S295 I296R288-W292 WeakPolarHBondContact O-CB 3.42Å; R288-W292 PolarHBondContact O-N 3.14Å; L289-W292 WeakPolarHBondContact O-CB 3.33Å; L289-W292 PolarHBondContact O-N 3.34Å; W292-S295 PolarHBondContact O-N 2.95Å; W292-I296 HydrophobicContact CD2-CD1 3.91Å; W292-I296 HydrophobicContact CD2-CG1 4.4Å; W292-I296 VanDerWaalsContact CE2-CD1 3.43Å; W292-I296 HydrophobicContact CE3-CD1 4.06Å; W292-I296 HydrophobicContact CH2-CD1 3.39Å; W292-I296 HydrophobicContact CZ2-CD1 3.2Å; W292-I296 HydrophobicContact CZ2-CG1 4.36Å; W292-I296 HydrophobicContact CZ3-CD1 3.81Å; W292-I296 PolarHBondContact O-N 2.82Å
293E75.3Confident69.7Low109 Ų109112 Ų11251%0.50957%0.565SS.*Hα-helixtrans-60.7-44.3172.7-72.3177.2167.200111.7L289 K290 I296 A297L289-E293 WeakPolarHBondContact O-CG 3.42Å; L289-E293 PolarHBondContact O-N 2.87Å; K290-E293 PolarHBondContact O-N 3.44Å; E293-I296 PolarHBondContact O-N 3.42Å; E293-A297 PolarHBondContact O-N 2.92Å
294H69.3Low67.2Low122 Ų122113 Ų11357%0.56558%0.581SS**Hα-helixtrans-63.2-40.9172.9-82.983.4000112.1K290 D291 A297 L298K290-H294 PolarHBondContact O-N 3.45Å; K290-H294 PolarHBondContact O-ND1 3.24Å; D291-H294 PolarHBondContact O-N 2.87Å; H294-A297 WeakPolarHBondContact O-CB 3.47Å; H294-A297 PolarHBondContact O-N 3.3Å; H294-L298 WeakPolarHBondContact O-CB 3.48Å; H294-L298 VanDerWaalsContact O-CG 3.3Å; H294-L298 WeakPolarHBondContact O-CG 3.46Å; H294-L298 PolarHBondContact O-N 3.43Å
295S71.2Confident65.1Low55 Ų55119.8 Ų119.839%0.38560%0.604SS.*Hα-helixtrans-66.2-36.5177.9-167.30000112.1D291 W292 L298 R299D291-S295 VanDerWaalsContact O-CB 3.24Å; D291-S295 WeakPolarHBondContact O-CB 3.35Å; D291-S295 PolarHBondContact O-N 3.34Å; W292-S295 PolarHBondContact O-N 2.95Å; S295-L298 PolarHBondContact O-N 3.16Å; S295-R299 WeakPolarHBondContact O-CB 3.44Å; S295-R299 WeakPolarHBondContact O-CG 3.36Å; S295-R299 PolarHBondContact O-N 3Å
296I64.8Low63.2Low66 Ų66117.6 Ų117.634%0.33861%0.611SS.*Hα-helixtrans-66.6-43.9171.3-75.3-171.4000111.1W292 E293 L298 R299 N300W292-I296 HydrophobicContact CD2-CD1 3.91Å; W292-I296 HydrophobicContact CD2-CG1 4.4Å; W292-I296 VanDerWaalsContact CE2-CD1 3.43Å; W292-I296 HydrophobicContact CE3-CD1 4.06Å; W292-I296 HydrophobicContact CH2-CD1 3.39Å; W292-I296 HydrophobicContact CZ2-CD1 3.2Å; W292-I296 HydrophobicContact CZ2-CG1 4.36Å; W292-I296 HydrophobicContact CZ3-CD1 3.81Å; W292-I296 PolarHBondContact O-N 2.82Å; E293-I296 PolarHBondContact O-N 3.42Å; I296-L298 VanDerWaalsContact C-N 3.26Å; I296-L298 PolarHBondContact O-N 3.28Å; I296-R299 PolarHBondContact O-N 2.88Å; I296-N300 PolarHBondContact O-N 3.06Å; I296-N300 VanDerWaalsContact O-N 3.16Å
297A60.2Low61.6Low59 Ų59119.7 Ų119.749%0.48863%0.628SS.*Hα-helixtrans-59.1-39.3174.700000111.7E293 H294E293-A297 PolarHBondContact O-N 2.92Å; H294-A297 WeakPolarHBondContact O-CB 3.47Å; H294-A297 PolarHBondContact O-N 3.3Å
298L60Low60.4Low119 Ų119121 Ų12162%0.62364%0.643SS**Hα-helixtrans-75.2-31.9176.3-70.8167.9000113.3H294 S295 I296 N300 I301H294-L298 WeakPolarHBondContact O-CB 3.48Å; H294-L298 VanDerWaalsContact O-CG 3.3Å; H294-L298 WeakPolarHBondContact O-CG 3.46Å; H294-L298 PolarHBondContact O-N 3.43Å; S295-L298 PolarHBondContact O-N 3.16Å; I296-L298 VanDerWaalsContact C-N 3.26Å; I296-L298 PolarHBondContact O-N 3.28Å; L298-N300 VanDerWaalsContact C-N 3.32Å; L298-N300 PolarHBondContact O-N 3.46Å; L298-I301 PolarHBondContact O-N 3.43Å; L298-I301 VanDerWaalsContact O-N 3.14Å
299R57.3Low58.9Low195 Ų195116.2 Ų116.274%0.73665%0.646SS**Hα-helixtrans-70.3-24.5175.7-88.3179.5166.1-179.2-1.7113.8S295 I296 I301S295-R299 WeakPolarHBondContact O-CB 3.44Å; S295-R299 WeakPolarHBondContact O-CG 3.36Å; S295-R299 PolarHBondContact O-N 3Å; I296-R299 PolarHBondContact O-N 2.88Å; R299-I301 PolarHBondContact O-N 3.26Å
300N51.8Low57.7Low139 Ų139117.8 Ų117.874%0.74366%0.662SS**THydrogen-bonded Turntrans-70.9-8.6170.7-83.6-10000113.2I296 L298I296-N300 PolarHBondContact O-N 3.06Å; I296-N300 VanDerWaalsContact O-N 3.16Å; L298-N300 VanDerWaalsContact C-N 3.32Å; L298-N300 PolarHBondContact O-N 3.46Å
301I56.6Low56.5Low138 Ų138123 Ų12371%0.70869%0.685SS**SBendtrans-106.279.3169.8-56.5167.2000106.5L298 R299L298-I301 PolarHBondContact O-N 3.43Å; L298-I301 VanDerWaalsContact O-N 3.14Å; R299-I301 PolarHBondContact O-N 3.26Å
302S41.7Very low55.2Low94 Ų94120.8 Ų120.866%0.65769%0.689SS**  trans-92.8123.1179.231.20000110.5
303L38.7Very low54.3Low176 Ų176121.1 Ų121.192%0.92170%0.702SS**  trans-176.9136.4130.7-99.4142.5000113
304A38.3Very low53.4Low99 Ų99125 Ų12582%0.81872%0.721SS**  trans8692.8164.900000119.2
305K41.4Very low52.6Low214 Ų214122.6 Ų122.693%0.9373%0.728SS**PPolyproline II helixtrans-79118.9165.8-177.4177.4-176.4178.50110
306G47.9Very low51.9Low61 Ų61127.8 Ų127.863%0.62975%0.752SS**PPolyproline II helixtrans-81.6155.9170.800000113.1
307P48.9Very low51.6Low122 Ų122133.9 Ų133.979%0.79278%0.779SS**PPolyproline II helixtrans-74.1156.8-169.528.6-34.3000114.5
308P56.2Low51.2Low132 Ų132134.6 Ų134.686%0.85779%0.792SS**PPolyproline II helixtrans-70134.3-174.3-13.228.5000113
309G47.5Very low50.9Low66 Ų66138.9 Ų138.968%0.6881%0.806SS**PPolyproline II helixtrans-73.8156.1171.400000113.1
310P53.5Low51Low134 Ų134139 Ų13987%0.8782%0.815SS**PPolyproline II helixtrans-67.4147.2-170.726.6-34000113.8G312P310-G312 PolarHBondContact O-N 3.48Å
311K52.2Low51.1Low208 Ų208135.7 Ų135.790%0.90481%0.813SS**PPolyproline II helixtrans-66.3118.9179.6-166.6176.7-177.1-176.30109.8
312G52.1Low51.1Low68 Ų68140.8 Ų140.870%0.70182%0.824SS**PPolyproline II helixtrans-68.3148.8178.100000112.9P310P310-G312 PolarHBondContact O-N 3.48Å
313D55.3Low52.2Low167 Ų167142.4 Ų142.489%0.89383%0.832SS**PPolyproline II helixtrans-62.1148.5-176.9-62.9-47.1000113G315D313-G315 PolarHBondContact O-N 2.91Å
314Q56.2Low52.8Low192 Ų192137.3 Ų137.390%0.89782%0.822SS**PPolyproline II helixtrans-69.2118.6-178-177.2168.5-600110.5
315G53.1Low53.9Low70 Ų70140.4 Ų140.472%0.72282%0.823SS**PPolyproline II helixtrans-69.4140.4179.100000113.1D313D313-G315 PolarHBondContact O-N 2.91Å
316D56Low55Low164 Ų164135.8 Ų135.888%0.87782%0.815SS**PPolyproline II helixtrans-59.9141.2-177-60.5-51.6000113.5
317E59.6Low55.2Low195 Ų195136.3 Ų136.391%0.91182%0.82SS**PPolyproline II helixtrans-60.3134.7173.8-80179.815100112
318G51.7Low55.6Low74 Ų74138.7 Ų138.776%0.76383%0.826SS**PPolyproline II helixtrans-65.6134.5-178.700000112.9E320G318-E320 PolarHBondContact O-N 2.9Å
319K53.8Low55.9Low209 Ų209138.3 Ų138.391%0.90982%0.823SS**PPolyproline II helixtrans-59.2125.5174.8-63.2177.9179.6178.80110.7G321K319-G321 PolarHBondContact O-N 3.14Å
320E59.2Low56.2Low197 Ų197138.7 Ų138.792%0.92183%0.827SS**PPolyproline II helixtrans-56.5134.2171.5-73.9-176.914800111.5G318G318-E320 PolarHBondContact O-N 2.9Å
321G53Low56.3Low70 Ų70141.2 Ų141.272%0.72283%0.832SS**PPolyproline II helixtrans-69.5146.7179.200000112.6K319K319-G321 PolarHBondContact O-N 3.14Å
322R56.5Low56.4Low244 Ų244143.1 Ų143.192%0.92183%0.834SS**PPolyproline II helixtrans-60.9133.8177.5-65.8-179.7-179.6-160.9-0.8110.8
323P64.4Low56.4Low128 Ų128142.9 Ų142.983%0.83183%0.831SS**PPolyproline II helixtrans-59137.8173.6-23.733.3000112.2
324G52.9Low56.4Low70 Ų70143.5 Ų143.572%0.72283%0.833SS**PPolyproline II helixtrans-64.7150-179.900000113.6P326G324-P326 WeakPolarHBondContact O-CD 3.48Å
325I60.4Low56.5Low164 Ų164140.4 Ų140.484%0.84183%0.83SS**PPolyproline II helixtrans-67.1125.1-179.7-55.6167.8000109.3
326P63.8Low56.3Low117 Ų117140.8 Ų140.876%0.7683%0.834SS**PPolyproline II helixtrans-62.9136.7173.9-22.433.8000112.1G324G324-P326 WeakPolarHBondContact O-CD 3.48Å
327G52.9Low56.1Low71 Ų71141.6 Ų141.673%0.73283%0.832SS**PPolyproline II helixtrans-63.7149.1-178.700000113.9
328L56.5Low55.5Low173 Ų173143 Ų14391%0.90683%0.829SS**PPolyproline II helixtrans-58.1131.1177.9-83.9128000111.7
329P63.1Low54.9Low124 Ų124142.9 Ų142.981%0.80583%0.828SS**PPolyproline II helixtrans-62.9136.9172.8-21.232.4000112.1
330G53.1Low54.8Low74 Ų74138.7 Ų138.776%0.76382%0.821SS**PPolyproline II helixtrans-63148.4179.900000113.9R332G330-R332 PolarHBondContact O-N 2.85Å
331L56.8Low54.7Low186 Ų186135.5 Ų135.597%0.97482%0.817SS**PPolyproline II helixtrans-62.1122.2176.5-73.8163.6000110.8
332R54.5Low54.2Low249 Ų249135.8 Ų135.894%0.9482%0.819SS**PPolyproline II helixtrans-79.5128.6175.4-167.2173.7-178.2-177.5-0.3109.5G330G330-R332 PolarHBondContact O-N 2.85Å
333G50.7Low53.9Low63 Ų63132.3 Ų132.365%0.64982%0.818SS**PPolyproline II helixtrans-62.3154.3-176.800000114.6P335G333-P335 WeakPolarHBondContact O-CD 3.35Å
334L55.6Low53.6Low179 Ų179132.1 Ų132.194%0.93782%0.817SS**PPolyproline II helixtrans-63.9124.6178.2-69.8165.5000111.4
335P58.5Low53.3Low127 Ų127131.9 Ų131.983%0.82582%0.815SS**PPolyproline II helixtrans-76.1138.7168.6-13.229.9000111.4G333G333-P335 WeakPolarHBondContact O-CD 3.35Å
336G49.8Very low53Low78 Ų78130.5 Ų130.580%0.80482%0.816SS**PPolyproline II helixtrans-73.4168-169.700000116.8
337E52Low52.4Low181 Ų181134.7 Ų134.785%0.84682%0.823SS**PPolyproline II helixtrans-72.7136.7176.1-69.8-166.8154.500113.4
338R45.4Very low51.9Low224 Ų224134.8 Ų134.885%0.84582%0.823SS**  128.3135.4126.3-167.6179.2-73.2-159.1-0.4116
339G40.6Very low51.5Low72 Ų72133.9 Ų133.974%0.74282%0.82SS**  trans-162.1127.6144.100000109.9
340T50.5Low50.7Low122 Ų122136.3 Ų136.375%0.74883%0.826SS**PPolyproline II helixtrans-69.6149.5175.4430000111.7
341P56.7Low50Low130 Ų130136.6 Ų136.684%0.84483%0.828SS**PPolyproline II helixtrans-61.5142.3178.2-21.733000113.4
342G43.7Very low49.1Very low75 Ų75137.7 Ų137.777%0.77383%0.825SS**PPolyproline II helixtrans-73.8156.1-177.100000115
343L49.9Very low48.4Very low171 Ų171134.5 Ų134.590%0.89583%0.826SS**PPolyproline II helixtrans-66.6145.8176-73161.5000112.1
344P58.8Low47.8Very low124 Ų124135.1 Ų135.181%0.80583%0.833SS**PPolyproline II helixtrans-62.8138.6172-2032.1000112.5
345G46.7Very low47.5Very low65 Ų65131.7 Ų131.767%0.6783%0.83SS**PPolyproline II helixtrans-71.1160-178.900000114.4
346P52.8Low46.9Very low135 Ų135132.5 Ų132.588%0.87783%0.832SS**PPolyproline II helixtrans-69.1137178.728.6-33000111.3
347K52Low46.4Very low206 Ų206131.6 Ų131.690%0.89682%0.823SS**PPolyproline II helixtrans-75.3127.2170.6-170.7175.1-178.8-179.20108.4
348G42Very low46.2Very low72 Ų72129.7 Ų129.774%0.74283%0.826SS**PPolyproline II helixtrans-66.2143.9-176.600000113.8
349D48.6Very low46.1Very low155 Ų155128.1 Ų128.183%0.82983%0.831SS**PPolyproline II helixtrans-80.6133.1165.5-68.4-39.7000109.6
350D46.7Very low46Very low175 Ų175128 Ų12894%0.93683%0.831SS**  trans-156.1127.7151.3-92-35.3000110.2
351G37Very low45.7Very low79 Ų79131.8 Ų131.881%0.81484%0.842SS**  trans115.189.2153.600000117.8
352K39.3Very low45Very low210 Ų210137.2 Ų137.291%0.91385%0.845SS**  trans-66133.9167.5-66178.6176.9-178.80111.9
353L40.3Very low44.8Very low181 Ų181136.8 Ų136.895%0.94884%0.841SS**  trans-131.7142.5148.2-127.888.8000109.1
354G37.2Very low44.4Very low77 Ų77139 Ų13979%0.79484%0.844SS**  trans-68.1173.3-154.900000119.3
355A48.3Very low43.6Very low106 Ų106142.9 Ų142.988%0.87685%0.848SS**  trans-57.6138.4-162.900000116.7
356T45.8Very low43.4Very low144 Ų144143.1 Ų143.188%0.88385%0.85SS**  trans-119.8133.8157.9-58.40000108
357G40.7Very low42.9Very low59 Ų59145.9 Ų145.961%0.60885%0.852SS**PPolyproline II helixtrans-64171.8-164.400000116.6M359G357-M359 PolarHBondContact O-N 2.92Å
358P47.8Very low42.3Very low141 Ų141147.8 Ų147.892%0.91685%0.853SS**PPolyproline II helixtrans-72.1116.8-171.529-32.4000110.9
359M43.2Very low42.4Very low191 Ų191147.1 Ų147.194%0.94185%0.846SS**PPolyproline II helixtrans-101.4129.9165.4-152.4168.810000109G357G357-M359 PolarHBondContact O-N 2.92Å
360G39.1Very low42.2Very low71 Ų71146.2 Ų146.273%0.73285%0.849SS**PPolyproline II helixtrans-61.3151.9-161.800000116.6R362G360-R362 PolarHBondContact O-N 3.41Å
361M43.2Very low41.9Very low200 Ų200147.8 Ų147.899%0.98585%0.847SS**  trans-62.9113.6174.4-63.9-173.4-67.200110.5
362R41.6Very low42Very low244 Ų244147.3 Ų147.392%0.92184%0.842SS**PPolyproline II helixtrans-92.8126.1162.7-165.6175.1-62.1-122.4-0.4107.7G360G360-R362 PolarHBondContact O-N 3.41Å
363G40.3Very low42.3Very low66 Ų66146.5 Ų146.568%0.6884%0.841SS**PPolyproline II helixtrans-59.8154.8-171.600000115.1K365G363-K365 PolarHBondContact O-N 3.45Å
364F41.7Very low42.2Very low217 Ų217147.9 Ų147.995%0.95284%0.84SS**PPolyproline II helixtrans-52126.5-177.6-65.6-90.4000113.1G366F364-G366 PolarHBondContact O-N 3.45Å
365K42.3Very low42.2Very low207 Ų207147.4 Ų147.490%0.984%0.835SS**  trans-73.8112.1166.3-174.6174.9-177176.90107.7G363G363-K365 PolarHBondContact O-N 3.45Å
366G41.1Very low41.9Very low69 Ų69152 Ų15271%0.71184%0.838SS**  trans-57.2144.3178.900000112.9F364F364-G366 PolarHBondContact O-N 3.45Å
367E42.7Very low41.4Very low194 Ų194154.7 Ų154.791%0.90784%0.838SS**  trans-62.6141.2-179.7-65.4-179.5155.200111.8G369E367-G369 PolarHBondContact O-N 3.06Å
368R40.3Very low41.1Very low246 Ų246155.1 Ų155.193%0.92884%0.842SS**  trans-74.1115.7176.8179.9176.2-73.9-169.4-5.2108.6
369G42.2Very low40.6Very low57 Ų57156 Ų15659%0.58884%0.839SS**  trans-60.4156.2174.500000113.1E367E367-G369 PolarHBondContact O-N 3.06Å
370P44.9Very low40.4Very low137 Ų137158.9 Ų158.989%0.8984%0.839SS**  trans-63.1145-174.225.3-33.3000112.5G372P370-G372 PolarHBondContact O-N 2.94Å
371K41Very low40.2Very low208 Ų208160.4 Ų160.490%0.90485%0.845SS**  trans-65.4112.8178.6-174.9178.2-178.9-178.70109.8
372G40Very low39.9Very low68 Ų68154.5 Ų154.570%0.70184%0.836SS**  trans-65.5148.9173.300000112.5P370P370-G372 PolarHBondContact O-N 2.94Å
373E45.3Very low39.5Very low194 Ų194151.1 Ų151.191%0.90784%0.835SS**  trans-62.6151.7-176.9-65.9175.9148.900113G375E373-G375 PolarHBondContact O-N 3.03Å
374K37Very low39.6Very low209 Ų209152.4 Ų152.491%0.90984%0.84SS**  trans-76.899.6-176-172.3-177.4-177.1-173.90109.8
375G37.9Very low39.5Very low68 Ų68147.4 Ų147.470%0.70183%0.832SS**PPolyproline II helixtrans-74.9151.8166.700000112.5E373E373-G375 PolarHBondContact O-N 3.03Å
376E41Very low39.4Very low201 Ų201140.6 Ų140.694%0.93982%0.82SS**PPolyproline II helixtrans-65.8158.1-167.4-66.7178.113200115.1
377K36.2Very low39.4Very low202 Ų202144.6 Ų144.688%0.87883%0.831SS**PPolyproline II helixtrans-72.8124.7-176.3-172.6-176.8-178-170.50110.2
378G34.9Very low39.6Very low67 Ų67142.3 Ų142.369%0.69182%0.82SS**  trans-148.4147.4166.900000109.6
379D36.8Very low40.3Very low159 Ų159132.9 Ų132.985%0.8580%0.795SS**  trans-78.5160.9-143.3-64.1-58.8000118.5
380R39.9Very low41.2Very low253 Ų253134.6 Ų134.696%0.95580%0.796SS**  trans-67.8131.4177.7-79.8179.1166.6121.2-5.5113.8
381A35Very low42.8Very low103 Ų103132 Ų13285%0.85177%0.772SS**  -173.1120.7127.400000104.7
382G35.6Very low45.2Very low76 Ų76125.7 Ų125.778%0.78475%0.747SS**  122.6116.257.800000106.6
383D33.6Very low47.9Very low172 Ų172123.5 Ų123.592%0.9272%0.719SS**  trans92.9139.2162-129.1-7.1000121.3
384A43.2Very low50.3Low94 Ų94119 Ų11978%0.77769%0.694SS**  trans-95128-172.800000111.3
385S39.3Very low53.2Low111 Ų111110.5 Ų110.578%0.77666%0.658SS**  trans-152.1156.8154.869.30000108.8
386G40Very low56.1Low64 Ų64108.8 Ų108.866%0.6663%0.634SS**  trans-51.7157-167.900000113.9E388G386-E388 PolarHBondContact O-N 3.29Å
387V40.1Very low58.7Low153 Ų153104.1 Ų104.193%0.92762%0.616SS**  trans-61.488.4171.3-177.90000108A389V387-A389 PolarHBondContact O-N 3.42Å
388E48.7Very low61.5Low146 Ų14695.8 Ų95.868%0.68259%0.587SS**PPolyproline II helixtrans-59.6125.9159.6-74.6-165.4158.600106G386G386-E388 PolarHBondContact O-N 3.29Å
389A53.8Low64.3Low48 Ų4898.3 Ų98.340%0.39759%0.594SS.*PPolyproline II helixtrans-51.3143.4168.800000108.2V387 M391V387-A389 PolarHBondContact O-N 3.42Å; A389-M391 PolarHBondContact O-N 3.03Å
390P62Low66.9Low94 Ų9491.9 Ų91.961%0.6157%0.565SS**PPolyproline II helixtrans-52.5119.217820.7-31.1000108.4M392P390-M392 WeakPolarHBondContact O-CG 3.4Å; P390-M392 PolarHBondContact O-N 3.43Å; P390-M392 VanDerWaalsContact O-N 3.08Å
391M76.8Confident69.5Low81 Ų8185 Ų8540%0.39955%0.554SS.*  trans-66.4110.6177.1-62.4-176.6-93.900107.3A389 F470A389-M391 PolarHBondContact O-N 3.03Å; M391-F470 HydrophobicContact CB-CD2 3.45Å; M391-F470 VanDerWaalsContact CB-CD2 3.45Å; M391-F470 HydrophobicContact CB-CE1 4.37Å; M391-F470 HydrophobicContact CB-CE2 3.23Å; M391-F470 HydrophobicContact CB-CG 4.12Å; M391-F470 HydrophobicContact CB-CZ 3.74Å; M391-F470 HydrophobicContact CE-CB 4.36Å; M391-F470 HydrophobicContact CE-CD2 4.49Å; M391-F470 HydrophobicContact CG-CD2 4.25Å; M391-F470 HydrophobicContact CG-CE2 4.38Å; M391-F470 HydrophobicContact SD-CB 3.74Å; M391-F470 HydrophobicContact SD-CD1 4.19Å; M391-F470 HydrophobicContact SD-CD2 3.79Å; M391-F470 HydrophobicContact SD-CE2 4.46Å; M391-F470 HydrophobicContact SD-CG 3.62Å
392M92.1Very high72.4Confident77 Ų7781 Ų8138%0.37952%0.517SS..EExtended strand (participates in β ladder)trans-108.9150.4-172.8-71.5172.6-71.500110.7P390 Y409 W414P390-M392 WeakPolarHBondContact O-CG 3.4Å; P390-M392 PolarHBondContact O-N 3.43Å; P390-M392 VanDerWaalsContact O-N 3.08Å; M392-Y409 HydrophobicContact CE-CD1 3.38Å; M392-Y409 HydrophobicContact CE-CE1 3.73Å; M392-Y409 HydrophobicContact CE-CG 3.88Å; M392-Y409 PolarHBondContact O-N 3.48Å; M392-W414 HydrophobicContact CB-CH2 3.84Å; M392-W414 HydrophobicContact CB-CZ2 4.41Å
393I96.1Very high75.4Confident21 Ų2179 Ų7911%0.10849%0.487CS..EExtended strand (participates in β ladder)trans-130148.3175.7-171.3165.4000109.3V406 E407 V408 V430 M433 L434 I469I393-V406 HydrophobicContact CD1-CG1 3.87Å; I393-V406 HydrophobicContact CG1-CG1 4.2Å; I393-E407 WeakPolarHBondContact CA-O 3.44Å; I393-V408 HydrophobicContact CD1-CG1 4.33Å; I393-V408 HydrophobicContact CG1-CG1 4.28Å; I393-V430 HydrophobicContact CD1-CB 4.2Å; I393-V430 HydrophobicContact CD1-CG1 3.7Å; I393-V430 HydrophobicContact CD1-CG2 3.76Å; I393-M433 HydrophobicContact CB-CE 4.08Å; I393-M433 HydrophobicContact CB-SD 4.36Å; I393-M433 HydrophobicContact CD1-SD 4.42Å; I393-M433 HydrophobicContact CG2-CE 3.5Å; I393-M433 HydrophobicContact CG2-CG 4.04Å; I393-M433 HydrophobicContact CG2-SD 3.72Å; I393-L434 HydrophobicContact CG2-CD2 3.78Å; I393-L434 HydrophobicContact CG2-CG 4.01Å; I393-I469 HydrophobicContact CD1-CG2 4Å
394R96.5Very high78.5Confident99 Ų9970.8 Ų70.837%0.37444%0.443SS..EExtended strand (participates in β ladder)trans-147157.6173.870.5-177.2-177.4-178.21.4111.5V396 E407 W414R394-V396 HydrophobicContact CG-CG2 3.8Å; R394-E407 HydrophobicContact CG-CB 3.98Å; R394-E407 IonicContact CZ-OE2 3.49Å; R394-E407 PolarHBondContact N-O 2.92Å; R394-E407 IonicContact NE-OE2 3.1Å; R394-E407 PolarHBondContact NE-OE2 2.91Å; R394-E407 IonicContact NH2-OE2 2.74Å; R394-E407 PolarHBondContact NH2-OE2 2.75Å; R394-E407 PolarHBondContact O-N 3.47Å; R394-W414 HydrophobicContact CB-CH2 4.01Å; R394-W414 HydrophobicContact CB-CZ3 4.12Å; R394-W414 HydrophobicContact CG-CE3 3.95Å; R394-W414 HydrophobicContact CG-CH2 3.78Å; R394-W414 HydrophobicContact CG-CZ2 4.4Å; R394-W414 HydrophobicContact CG-CZ3 3.54Å
395L97.8Very high81.1Confident32 Ų3266.8 Ų66.817%0.16841%0.408CS..EExtended strand (participates in β ladder)trans-104.1132.7168.8-55.6-177.3000109.5R405 V406 V430 L434 V490L395-R405 WeakPolarHBondContact CA-O 3.49Å; L395-V406 HydrophobicContact CD2-CG2 3.97Å; L395-V430 HydrophobicContact CD2-CG1 4.3Å; L395-L434 HydrophobicContact CD1-CD1 3.81Å; L395-L434 HydrophobicContact CD2-CD1 3.97Å; L395-L434 HydrophobicContact CG-CD1 3.6Å; L395-V490 HydrophobicContact CD1-CG2 3.86Å; L395-V490 HydrophobicContact CD2-CG2 3.55Å; L395-V490 HydrophobicContact CG-CG2 4.38Å
396V97.9Very high83.9Confident31 Ų3161.5 Ų61.519%0.18837%0.371CS..EExtended strand (participates in β ladder)trans-123.8148.1-175.7-172.10000110.4R394 G398 G404 R405 E407R394-V396 HydrophobicContact CG-CG2 3.8Å; V396-G398 PolarHBondContact O-N 2.93Å; V396-G404 CarbonylContact O-C 3.08Å; V396-G404 VanDerWaalsContact O-CA 3.29Å; V396-G404 WeakPolarHBondContact O-CA 3.37Å; V396-R405 PolarHBondContact N-O 3.38Å; V396-R405 PolarHBondContact O-N 3.36Å; V396-E407 HydrophobicContact CG2-CG 4.23Å
397N96.5Very high86.7Confident104 Ų10459.1 Ų59.156%0.55634%0.343SS*.EExtended strand (participates in β ladder)trans62.116.4177-65.1-9.9000116.2R405 F448N397-R405 PolarHBondContact ND2-NH1 2.99Å; N397-F448 HydrophobicContact CB-CB 4.19Å; N397-F448 WeakPolarHBondContact CB-O 3.46Å; N397-F448 PolarHBondContact ND2-O 3.42Å; N397-F448 WeakPolarHBondContact O-CD1 3.42Å
398G94.5Very high89.4Confident27 Ų2751.8 Ų51.828%0.27830%0.299SS..SBendtrans-81165.1165.300000112.7V396 G400 E403V396-G398 PolarHBondContact O-N 2.93Å; G398-G400 PolarHBondContact O-N 3.46Å; G398-E403 WeakPolarHBondContact CA-O 3.38Å
399S93.9Very high91.6Very high120 Ų12047.3 Ų47.384%0.83928%0.276SS*.SBendtrans-73.5-11.5175.9-36.80000112.5E403S399-E403 WeakPolarHBondContact CA-OE1 3.4Å; S399-E403 WeakPolarHBondContact CB-OE1 3.48Å; S399-E403 PolarHBondContact N-OE1 2.9Å; S399-E403 PolarHBondContact OG-OE1 2.95Å
400G92.4Very high93.5Very high24 Ų2447.5 Ų47.525%0.24727%0.268CS..SBendtrans-162.4-177.3178.500000112.1G398 H402 E403G398-G400 PolarHBondContact O-N 3.46Å; G400-H402 PolarHBondContact O-N 3.16Å; G400-E403 PolarHBondContact O-N 3.09Å
401P94.3Very high94.8Very high109 Ų10947.9 Ų47.971%0.70827%0.265SS*.THydrogen-bonded Turntrans-72.9-9.1-172.829.8-36.8000114.6F436P401-F436 WeakPolarHBondContact O-CE2 3.42Å; P401-F436 VanDerWaalsContact O-CZ 3.3Å; P401-F436 WeakPolarHBondContact O-CZ 3.45Å
402H96.3Very high95.4Very high19 Ų1953.2 Ų53.29%0.08828%0.281CS..THydrogen-bonded Turntrans-100.12.4-175.560.5-74.7000112.4G400 F436 T491 C492 R494G400-H402 PolarHBondContact O-N 3.16Å; H402-F436 HydrophobicContact CB-CD1 4.29Å; H402-F436 HydrophobicContact CB-CE1 3.73Å; H402-F436 HydrophobicContact CB-CE2 4.45Å; H402-F436 HydrophobicContact CB-CZ 3.83Å; H402-T491 CarbonylContact O-C 3.56Å; H402-T491 WeakPolarHBondContact O-CA 3.43Å; H402-C492 HydrophobicContact CB-CB 4.33Å; H402-C492 WeakPolarHBondContact O-CB 3.43Å; H402-C492 PolarHBondContact O-N 3.27Å; H402-R494 PolarHBondContact CE1-NE 3.24Å; H402-R494 PolarHBondContact CE1-NH2 3.14Å; H402-R494 VanDerWaalsContact NE2-CZ 3.34Å; H402-R494 PolarHBondContact NE2-NE 3.31Å; H402-R494 PolarHBondContact NE2-NH2 3.48Å
403E97.6Very high95.5Very high32 Ų3257.5 Ų57.515%0.1529%0.293CS..EExtended strand (participates in β ladder)trans-144.8154.1177.557.5170.2-160.900111G398 S399 G400 F448 V490 T491G398-E403 WeakPolarHBondContact CA-O 3.38Å; S399-E403 WeakPolarHBondContact CA-OE1 3.4Å; S399-E403 WeakPolarHBondContact CB-OE1 3.48Å; S399-E403 PolarHBondContact N-OE1 2.9Å; S399-E403 PolarHBondContact OG-OE1 2.95Å; G400-E403 PolarHBondContact O-N 3.09Å; E403-F448 HydrophobicContact CB-CE1 4.29Å; E403-F448 HydrophobicContact CB-CZ 3.85Å; E403-F448 HydrophobicContact CG-CE1 4.25Å; E403-F448 HydrophobicContact CG-CZ 4.29Å; E403-V490 CarbonylContact C-O 3.49Å; E403-V490 VanDerWaalsContact CA-O 3.26Å; E403-V490 WeakPolarHBondContact CA-O 3.48Å; E403-T491 HydrophobicContact CB-CG2 4.14Å; E403-T491 WeakPolarHBondContact CB-OG1 3.3Å
404G98.3Very high95.5Very high0 Ų060.2 Ų60.20%030%0.302CS..EExtended strand (participates in β ladder)trans150.8179.1174.500000114V396 F448 S489 V490V396-G404 CarbonylContact O-C 3.08Å; V396-G404 VanDerWaalsContact O-CA 3.29Å; V396-G404 WeakPolarHBondContact O-CA 3.37Å; G404-F448 VanDerWaalsContact CA-CD2 3.47Å; G404-S489 WeakPolarHBondContact O-CA 3.3Å; G404-V490 PolarHBondContact N-O 2.87Å; G404-V490 PolarHBondContact O-N 3.1Å
405R98.6Very high95.5Very high11 Ų1155.6 Ų55.64%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-68135.7169.1-179.617861.5-97.8-4.5109.4L395 V396 N397 E407 T416 F448 G449 D487 S489L395-R405 WeakPolarHBondContact CA-O 3.49Å; V396-R405 PolarHBondContact N-O 3.38Å; V396-R405 PolarHBondContact O-N 3.36Å; N397-R405 PolarHBondContact ND2-NH1 2.99Å; R405-E407 IonicContact CZ-OE1 2.72Å; R405-E407 IonicContact NE-OE1 3.17Å; R405-E407 PolarHBondContact NE-OE1 3.19Å; R405-E407 IonicContact NH2-OE1 3.71Å; R405-E407 PolarHBondContact NH2-OE1 3.47Å; R405-T416 HydrophobicContact CG-CG2 4.45Å; R405-F448 HydrophobicContact CB-CB 4.27Å; R405-F448 PolarHBondContact NH1-O 2.91Å; R405-F448 VanDerWaalsContact NH1-O 3.16Å; R405-G449 WeakPolarHBondContact CD-O 3.49Å; R405-G449 PolarHBondContact NH1-O 3.48Å; R405-D487 HydrophobicContact CG-CB 4.08Å; R405-S489 WeakPolarHBondContact CA-OG 3.42Å
406V98.4Very high95.6Very high0 Ų054.1 Ų54.10%028%0.277CS..EExtended strand (participates in β ladder)trans-80.4123179.7-176.10000109.6I393 L395 V417 W422 V430 A488 V490I393-V406 HydrophobicContact CD1-CG1 3.87Å; I393-V406 HydrophobicContact CG1-CG1 4.2Å; L395-V406 HydrophobicContact CD2-CG2 3.97Å; V406-V417 HydrophobicContact CB-CG2 4.38Å; V406-V417 HydrophobicContact CG1-CG2 3.92Å; V406-W422 HydrophobicContact CG2-CH2 4.38Å; V406-W422 HydrophobicContact CG2-CZ2 3.98Å; V406-V430 HydrophobicContact CG1-CG1 4.42Å; V406-V430 HydrophobicContact CG1-CG2 4.34Å; V406-V430 HydrophobicContact CG2-CG1 4.29Å; V406-A488 PolarHBondContact N-O 2.89Å; V406-V490 HydrophobicContact CG2-CG1 3.87Å; V406-V490 HydrophobicContact CG2-CG2 4.03Å
407E98.2Very high95.6Very high13 Ų1352.6 Ų52.66%0.06127%0.268CS..EExtended strand (participates in β ladder)trans-124.7137.2172.3-70.9-178.6-170.800110.6I393 R394 V396 R405 W414 G415 T416I393-E407 WeakPolarHBondContact CA-O 3.44Å; R394-E407 HydrophobicContact CG-CB 3.98Å; R394-E407 IonicContact CZ-OE2 3.49Å; R394-E407 PolarHBondContact N-O 2.92Å; R394-E407 IonicContact NE-OE2 3.1Å; R394-E407 PolarHBondContact NE-OE2 2.91Å; R394-E407 IonicContact NH2-OE2 2.74Å; R394-E407 PolarHBondContact NH2-OE2 2.75Å; R394-E407 PolarHBondContact O-N 3.47Å; V396-E407 HydrophobicContact CG2-CG 4.23Å; R405-E407 IonicContact CZ-OE1 2.72Å; R405-E407 IonicContact NE-OE1 3.17Å; R405-E407 PolarHBondContact NE-OE1 3.19Å; R405-E407 IonicContact NH2-OE1 3.71Å; R405-E407 PolarHBondContact NH2-OE1 3.47Å; E407-W414 HydrophobicContact CB-CE3 3.97Å; E407-W414 HydrophobicContact CB-CZ3 4.49Å; E407-W414 WeakPolarHBondContact O-CZ3 3.45Å; E407-G415 CarbonylContact C-O 3.46Å; E407-G415 VanDerWaalsContact CA-O 3.25Å; E407-G415 WeakPolarHBondContact CA-O 3.4Å; E407-T416 HydrophobicContact CG-CG2 4.05Å
408V97.1Very high95.7Very high0 Ų047.7 Ų47.70%024%0.242CC..EExtended strand (participates in β ladder)trans-116.2146.1179-62.80000111I393 G415 V417 W456 M457 I469 F470 W477I393-V408 HydrophobicContact CD1-CG1 4.33Å; I393-V408 HydrophobicContact CG1-CG1 4.28Å; V408-G415 PolarHBondContact N-O 3.48Å; V408-G415 PolarHBondContact O-N 2.84Å; V408-V417 HydrophobicContact CG1-CG2 4.14Å; V408-V417 HydrophobicContact CG2-CG2 4.49Å; V408-W456 HydrophobicContact CG2-CB 3.63Å; V408-W456 HydrophobicContact CG2-CG 4.14Å; V408-M457 HydrophobicContact CG1-SD 4.04Å; V408-M457 HydrophobicContact CG2-CG 4.21Å; V408-M457 HydrophobicContact CG2-SD 4.09Å; V408-I469 HydrophobicContact CG1-CG2 4.32Å; V408-F470 HydrophobicContact CB-CE1 3.87Å; V408-F470 HydrophobicContact CB-CZ 4.19Å; V408-F470 HydrophobicContact CG1-CE1 3.87Å; V408-F470 HydrophobicContact CG1-CZ 4.15Å; V408-W477 HydrophobicContact CG2-CZ3 4.34Å
409Y94.7Very high95.8Very high52 Ų5247 Ų4720%0.20423%0.232CC..EExtended strand (participates in β ladder)trans-100.4110.6178.4-166.7-107.3000110.3M392 R412 W414M392-Y409 HydrophobicContact CE-CD1 3.38Å; M392-Y409 HydrophobicContact CE-CE1 3.73Å; M392-Y409 HydrophobicContact CE-CG 3.88Å; M392-Y409 PolarHBondContact O-N 3.48Å; Y409-R412 VanDerWaalsContact CE2-C 3.41Å; Y409-R412 VanDerWaalsContact CZ-CA 3.42Å; Y409-R412 VanDerWaalsContact OH-C 3.25Å; Y409-R412 WeakPolarHBondContact OH-CA 3.29Å; Y409-R412 PolarHBondContact OH-O 2.84Å; Y409-R412 VanDerWaalsContact OH-O 3.07Å; Y409-W414 AromaticContact CD2-CD1 3.79Å; Y409-W414 AromaticContact CD2-CD2 3.78Å; Y409-W414 HydrophobicContact CD2-CD2 3.78Å; Y409-W414 AromaticContact CD2-CE2 3.65Å; Y409-W414 HydrophobicContact CD2-CE3 4.42Å; Y409-W414 AromaticContact CD2-CG 3.89Å; Y409-W414 HydrophobicContact CD2-CG 3.89Å; Y409-W414 HydrophobicContact CD2-CZ2 4.21Å; Y409-W414 AromaticContact CD2-NE1 3.63Å; Y409-W414 AromaticContact CE2-NE1 3.98Å; Y409-W414 HydrophobicContact CG-CD2 4.45Å; Y409-W414 HydrophobicContact CG-CZ2 4.43Å
410H93.3Very high96Very high51 Ų5143.6 Ų43.624%0.23620%0.204CC..EExtended strand (participates in β ladder)trans-139.5144.4179.2179.8-92.8000109.8R412 R413 W456 W477H410-R412 VanDerWaalsContact C-N 3.25Å; H410-R412 PolarHBondContact O-N 2.89Å; H410-R413 PolarHBondContact N-O 3.3Å; H410-R413 VanDerWaalsContact N-O 3.08Å; H410-R413 PolarHBondContact O-N 3.04Å; H410-W456 HydrophobicContact CB-CD2 4.17Å; H410-W456 HydrophobicContact CB-CG 4.31Å; H410-W456 AromaticContact ND1-CE3 3.82Å; H410-W456 AromaticContact ND1-CH2 3.93Å; H410-W456 AromaticContact ND1-CZ3 3.64Å; H410-W456 WeakPolarHBondContact O-CZ2 3.38Å; H410-W477 HydrophobicContact CB-CE3 4.02Å; H410-W477 HydrophobicContact CB-CH2 4.11Å; H410-W477 HydrophobicContact CB-CZ3 3.7Å; H410-W477 AromaticContact CD2-CD2 3.61Å; H410-W477 AromaticContact CD2-CE2 3.52Å; H410-W477 AromaticContact CD2-CE3 3.8Å; H410-W477 AromaticContact CD2-CH2 3.79Å; H410-W477 AromaticContact CD2-CZ2 3.63Å; H410-W477 AromaticContact CD2-CZ3 3.9Å; H410-W477 AromaticContact CE1-CD2 3.86Å; H410-W477 AromaticContact CE1-CG 3.75Å; H410-W477 AromaticContact CG-CD2 3.86Å; H410-W477 AromaticContact CG-CE3 3.63Å; H410-W477 AromaticContact CG-CZ3 3.74Å; H410-W477 AromaticContact ND1-CE3 3.92Å; H410-W477 AromaticContact NE2-CD1 3.81Å; H410-W477 AromaticContact NE2-CD2 3.64Å; H410-W477 AromaticContact NE2-CE2 3.66Å; H410-W477 AromaticContact NE2-CG 3.74Å; H410-W477 AromaticContact NE2-NE1 3.76Å
411D90.6Very high96.1Very high102 Ų10244.8 Ų44.855%0.54522%0.217SC..THydrogen-bonded Turntrans46.347.3-176.7-169.126.2000113.9R413 W456D411-R413 PolarHBondContact O-N 3.28Å; D411-R413 VanDerWaalsContact O-N 3.13Å; D411-W456 HydrophobicContact CB-CH2 4.17Å
412R89.5Confident96.3Very high194 Ų19439.6 Ų39.673%0.73218%0.183SC*.THydrogen-bonded Turntrans60.418179.9-61.7179.9-73.6-164.7-4.6115.5Y409 H410Y409-R412 VanDerWaalsContact CE2-C 3.41Å; Y409-R412 VanDerWaalsContact CZ-CA 3.42Å; Y409-R412 VanDerWaalsContact OH-C 3.25Å; Y409-R412 WeakPolarHBondContact OH-CA 3.29Å; Y409-R412 PolarHBondContact OH-O 2.84Å; Y409-R412 VanDerWaalsContact OH-O 3.07Å; H410-R412 VanDerWaalsContact C-N 3.25Å; H410-R412 PolarHBondContact O-N 2.89Å
413R92.9Very high96.4Very high166 Ų16641.3 Ų41.363%0.62619%0.193SC*.EExtended strand (participates in β ladder)trans-136.1145.3179.1-63178.7-177-176.80.8111.6H410 D411 W456H410-R413 PolarHBondContact N-O 3.3Å; H410-R413 VanDerWaalsContact N-O 3.08Å; H410-R413 PolarHBondContact O-N 3.04Å; D411-R413 PolarHBondContact O-N 3.28Å; D411-R413 VanDerWaalsContact O-N 3.13Å; R413-W456 HydrophobicContact CB-CZ2 4.22Å; R413-W456 PolarHBondContact O-NE1 3.44Å; R413-W456 VanDerWaalsContact O-NE1 3.11Å
414W96.2Very high96.4Very high78 Ų7845.4 Ų45.430%0.29521%0.21SC..EExtended strand (participates in β ladder)trans-75.9145.6168.3-70100.6000110.1M392 R394 E407 Y409M392-W414 HydrophobicContact CB-CH2 3.84Å; M392-W414 HydrophobicContact CB-CZ2 4.41Å; R394-W414 HydrophobicContact CB-CH2 4.01Å; R394-W414 HydrophobicContact CB-CZ3 4.12Å; R394-W414 HydrophobicContact CG-CE3 3.95Å; R394-W414 HydrophobicContact CG-CH2 3.78Å; R394-W414 HydrophobicContact CG-CZ2 4.4Å; R394-W414 HydrophobicContact CG-CZ3 3.54Å; E407-W414 HydrophobicContact CB-CE3 3.97Å; E407-W414 HydrophobicContact CB-CZ3 4.49Å; E407-W414 WeakPolarHBondContact O-CZ3 3.45Å; Y409-W414 AromaticContact CD2-CD1 3.79Å; Y409-W414 AromaticContact CD2-CD2 3.78Å; Y409-W414 HydrophobicContact CD2-CD2 3.78Å; Y409-W414 AromaticContact CD2-CE2 3.65Å; Y409-W414 HydrophobicContact CD2-CE3 4.42Å; Y409-W414 AromaticContact CD2-CG 3.89Å; Y409-W414 HydrophobicContact CD2-CG 3.89Å; Y409-W414 HydrophobicContact CD2-CZ2 4.21Å; Y409-W414 AromaticContact CD2-NE1 3.63Å; Y409-W414 AromaticContact CE2-NE1 3.98Å; Y409-W414 HydrophobicContact CG-CD2 4.45Å; Y409-W414 HydrophobicContact CG-CZ2 4.43Å
415G97.3Very high96.4Very high2 Ų250.6 Ų50.62%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-158.5166.9172.100000110.7E407 V408 R454 W456E407-G415 CarbonylContact C-O 3.46Å; E407-G415 VanDerWaalsContact CA-O 3.25Å; E407-G415 WeakPolarHBondContact CA-O 3.4Å; V408-G415 PolarHBondContact N-O 3.48Å; V408-G415 PolarHBondContact O-N 2.84Å; G415-R454 CarbonylContact C-O 3.59Å; G415-R454 WeakPolarHBondContact CA-O 3.39Å; G415-W456 VanDerWaalsContact N-CD1 3.28Å
416T98.3Very high96.4Very high1 Ų150.1 Ų50.11%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-92.7177.3-172.156.90000112.1R405 E407 R454 I455 W456 H484 D487R405-T416 HydrophobicContact CG-CG2 4.45Å; E407-T416 HydrophobicContact CG-CG2 4.05Å; T416-R454 PolarHBondContact N-O 3.41Å; T416-I455 CarbonylContact O-C 3.58Å; T416-I455 WeakPolarHBondContact OG1-CG1 3.43Å; T416-W456 PolarHBondContact O-N 3.23Å; T416-H484 PolarHBondContact OG1-CE1 2.82Å; T416-H484 PolarHBondContact OG1-ND1 2.88Å; T416-D487 WeakPolarHBondContact CB-OD1 3.47Å; T416-D487 PolarHBondContact OG1-OD1 3.42Å
417V98.4Very high96.3Very high0 Ų050.1 Ų50.10%023%0.231CC..EExtended strand (participates in β ladder)trans-118.3134.5175.6-1790000107.4V406 V408 W422 M457 V460 D487 A488V406-V417 HydrophobicContact CB-CG2 4.38Å; V406-V417 HydrophobicContact CG1-CG2 3.92Å; V408-V417 HydrophobicContact CG1-CG2 4.14Å; V408-V417 HydrophobicContact CG2-CG2 4.49Å; V417-W422 HydrophobicContact CG1-CE3 4.07Å; V417-W422 HydrophobicContact CG1-CH2 4.46Å; V417-W422 HydrophobicContact CG1-CZ3 3.76Å; V417-M457 WeakPolarHBondContact CA-O 3.32Å; V417-M457 HydrophobicContact CG1-CB 4.08Å; V417-M457 HydrophobicContact CG2-CB 4.22Å; V417-M457 HydrophobicContact CG2-SD 4.47Å; V417-V460 HydrophobicContact CG1-CG2 3.73Å; V417-D487 CarbonylContact O-C 3.53Å; V417-D487 WeakPolarHBondContact O-CA 3.5Å; V417-A488 HydrophobicContact CB-CB 4.29Å; V417-A488 HydrophobicContact CG1-CB 4.28Å; V417-A488 WeakPolarHBondContact O-CB 3.5Å; V417-A488 PolarHBondContact O-N 2.96Å
418C98.4Very high96.3Very high0 Ų051.5 Ų51.50%024%0.239CC..BIsolated β-bridgetrans-73.6151.8173.8-176.80000111.6D420 I455 M457 D458 C482 E486C418-D420 PolarHBondContact SG-N 2.66Å; C418-D420 VanDerWaalsContact SG-N 3.39Å; C418-I455 HydrophobicContact CB-CG2 4.13Å; C418-M457 PolarHBondContact N-O 2.92Å; C418-D458 HydrophobicContact CB-CB 4.22Å; C418-D458 WeakPolarHBondContact CB-OD1 3.36Å; C418-C482 HydrophobicContact CB-CB 3.66Å; C418-C482 WeakPolarHBondContact CB-SG 3.4Å; C418-C482 WeakPolarHBondContact SG-CB 3.31Å; C418-C482 CovalentContact SG-SG 2Å; C418-C482 PolarHBondContact SG-SG 3.4Å; C418-E486 CarbonylContact C-O 3.6Å; C418-E486 WeakPolarHBondContact CA-O 3.45Å
419D97.8Very high96.4Very high12 Ų1251.5 Ų51.56%0.06424%0.239CC..  trans-86.5-3.1178.373.530.9000115.5G421 W422 R444 T445 E486 A488D419-G421 PolarHBondContact O-N 3.32Å; D419-W422 HydrophobicContact CB-CB 4.2Å; D419-W422 WeakPolarHBondContact O-CB 3.41Å; D419-W422 PolarHBondContact O-N 2.93Å; D419-R444 HydrophobicContact CB-CB 3.93Å; D419-R444 HydrophobicContact CB-CG 4Å; D419-R444 WeakPolarHBondContact OD2-CA 3.42Å; D419-R444 WeakPolarHBondContact OD2-CB 3.39Å; D419-T445 PolarHBondContact OD2-N 3Å; D419-E486 WeakPolarHBondContact CB-O 3.43Å; D419-E486 VanDerWaalsContact CG-O 3.26Å; D419-E486 PolarHBondContact N-O 2.95Å; D419-E486 VanDerWaalsContact OD2-CA 3.31Å; D419-E486 WeakPolarHBondContact OD2-CA 3.45Å; D419-A488 HydrophobicContact CB-CB 4.17Å
420D97.6Very high96.5Very high50 Ų5049 Ų4927%0.26723%0.229SC..THydrogen-bonded Turntrans-60.3121.4170.5-85.7-12.7000109.2C418 W422 D458 D459 N481C418-D420 PolarHBondContact SG-N 2.66Å; C418-D420 VanDerWaalsContact SG-N 3.39Å; D420-W422 PolarHBondContact O-N 3.43Å; D420-D458 WeakPolarHBondContact CB-OD1 3.49Å; D420-D459 WeakPolarHBondContact O-CA 3.47Å; D420-N481 PolarHBondContact OD2-ND2 3.25Å; D420-N481 VanDerWaalsContact OD2-ND2 3.15Å
421G94.7Very high96.7Very high49 Ų4946.6 Ų46.651%0.50522%0.218SC..THydrogen-bonded Turntrans75.4-8.6-173.700000115.6D419 D423D419-G421 PolarHBondContact O-N 3.32Å; G421-D423 PolarHBondContact O-N 2.93Å
422W98.1Very high96.9Very high0 Ų045.6 Ų45.60%021%0.206CC..  trans-63.2116.3-172.2-168.9-111000113.1V406 V417 D419 D420 D426 V430 R444 V460 I469 A488 S489 V490V406-W422 HydrophobicContact CG2-CH2 4.38Å; V406-W422 HydrophobicContact CG2-CZ2 3.98Å; V417-W422 HydrophobicContact CG1-CE3 4.07Å; V417-W422 HydrophobicContact CG1-CH2 4.46Å; V417-W422 HydrophobicContact CG1-CZ3 3.76Å; D419-W422 HydrophobicContact CB-CB 4.2Å; D419-W422 WeakPolarHBondContact O-CB 3.41Å; D419-W422 PolarHBondContact O-N 2.93Å; D420-W422 PolarHBondContact O-N 3.43Å; W422-D426 HydrophobicContact CD2-CB 4.11Å; W422-D426 HydrophobicContact CE3-CB 3.64Å; W422-D426 HydrophobicContact CH2-CB 3.89Å; W422-D426 HydrophobicContact CZ2-CB 4.33Å; W422-D426 HydrophobicContact CZ3-CB 3.53Å; W422-V430 HydrophobicContact CH2-CG2 3.85Å; W422-V430 HydrophobicContact CZ2-CG2 4.41Å; W422-R444 PolarHBondContact O-NE 3.22Å; W422-R444 VanDerWaalsContact O-NE 3.11Å; W422-R444 PolarHBondContact O-NH2 3.38Å; W422-V460 HydrophobicContact CE3-CB 4.17Å; W422-V460 HydrophobicContact CZ3-CB 4.1Å; W422-V460 HydrophobicContact CZ3-CG1 4.16Å; W422-V460 HydrophobicContact CZ3-CG2 4.32Å; W422-I469 HydrophobicContact CH2-CD1 3.77Å; W422-I469 HydrophobicContact CZ3-CD1 3.8Å; W422-A488 HydrophobicContact CB-CB 4.39Å; W422-A488 HydrophobicContact CD2-CB 3.56Å; W422-A488 HydrophobicContact CE3-CB 4.05Å; W422-A488 HydrophobicContact CG-CB 3.7Å; W422-A488 HydrophobicContact CZ2-CB 4.25Å; W422-S489 PolarHBondContact NE1-O 3.23Å; W422-V490 HydrophobicContact CZ2-CG1 3.61Å
423D97.6Very high97.2Very high54 Ų5438.7 Ų38.729%0.28918%0.183SC..  trans-131.5179.9-176.683.217.6000113.6G421 K425 D426 G427G421-D423 PolarHBondContact O-N 2.93Å; D423-K425 VanDerWaalsContact C-N 3.26Å; D423-K425 PolarHBondContact O-N 3.33Å; D423-K425 WeakPolarHBondContact OD1-CA 3.48Å; D423-K425 WeakPolarHBondContact OD1-CB 3.18Å; D423-K425 PolarHBondContact OD1-N 3.46Å; D423-D426 PolarHBondContact N-OD2 2.86Å; D423-D426 PolarHBondContact O-N 2.88Å; D423-D426 PolarHBondContact OD1-N 3.03Å; D423-G427 PolarHBondContact O-N 3.48Å; D423-G427 VanDerWaalsContact O-N 3.11Å
424K97.9Very high97.3Very high118 Ų11833.4 Ų33.451%0.51317%0.167SC..Hα-helixtrans-65.9-24.3-178.1-72.4-162177.6-152.70113.3D428 V439 E440 V442K424-D428 VanDerWaalsContact O-CB 3.28Å; K424-D428 WeakPolarHBondContact O-CB 3.19Å; K424-D428 PolarHBondContact O-N 3.47Å; K424-V439 HydrophobicContact CB-CG1 4.07Å; K424-V439 HydrophobicContact CG-CG1 4.42Å; K424-V439 VanDerWaalsContact O-CG1 3.23Å; K424-V439 WeakPolarHBondContact O-CG1 3.4Å; K424-E440 PolarHBondContact NZ-O 3.26Å; K424-V442 HydrophobicContact CG-CG2 4.22Å
425K98.4Very high97.2Very high110 Ų11031.8 Ų31.848%0.47817%0.174SC..Hα-helixtrans-71.1-39.4176.2-59.8171.9-175.7165.70110.4D423 D428 V429D423-K425 VanDerWaalsContact C-N 3.26Å; D423-K425 PolarHBondContact O-N 3.33Å; D423-K425 WeakPolarHBondContact OD1-CA 3.48Å; D423-K425 WeakPolarHBondContact OD1-CB 3.18Å; D423-K425 PolarHBondContact OD1-N 3.46Å; K425-D428 PolarHBondContact O-N 3.38Å; K425-V429 WeakPolarHBondContact O-CG2 3.33Å; K425-V429 PolarHBondContact O-N 2.9Å; K425-V429 VanDerWaalsContact O-N 3.14Å
426D98.3Very high97.2Very high0 Ų033.2 Ų33.20%018%0.18CC..Hα-helixtrans-64.1-48.4175.3-48.2-48.2000110.6W422 D423 D428 V429 V430 V460 C462W422-D426 HydrophobicContact CD2-CB 4.11Å; W422-D426 HydrophobicContact CE3-CB 3.64Å; W422-D426 HydrophobicContact CH2-CB 3.89Å; W422-D426 HydrophobicContact CZ2-CB 4.33Å; W422-D426 HydrophobicContact CZ3-CB 3.53Å; D423-D426 PolarHBondContact N-OD2 2.86Å; D423-D426 PolarHBondContact O-N 2.88Å; D423-D426 PolarHBondContact OD1-N 3.03Å; D426-D428 VanDerWaalsContact C-N 3.28Å; D426-D428 PolarHBondContact O-N 3.09Å; D426-V429 PolarHBondContact O-N 3.26Å; D426-V430 PolarHBondContact O-N 3.39Å; D426-V460 HydrophobicContact CB-CG1 4.26Å; D426-C462 WeakPolarHBondContact OD1-CB 3.48Å; D426-C462 PolarHBondContact OD1-N 2.89Å; D426-C462 PolarHBondContact OD1-SG 3.38Å; D426-C462 VanDerWaalsContact OD1-SG 3.34Å
427G97.7Very high97Very high0 Ų041.6 Ų41.60%021%0.212CC..Hα-helixtrans-59.3-37.9175.500000113D423 V430 C431D423-G427 PolarHBondContact O-N 3.48Å; D423-G427 VanDerWaalsContact O-N 3.11Å; G427-V430 PolarHBondContact O-N 2.94Å; G427-C431 WeakPolarHBondContact O-CB 3.25Å; G427-C431 PolarHBondContact O-N 3.2Å; G427-C431 PolarHBondContact O-SG 3.38Å; G427-C431 VanDerWaalsContact O-SG 3.34Å
428D98Very high96.8Very high43 Ų4341.8 Ų41.823%0.2321%0.213CC..Hα-helixtrans-65.1-43.9179.1-166.767.8000111.8K424 K425 D426 V430 C431 R432 G438 V439K424-D428 VanDerWaalsContact O-CB 3.28Å; K424-D428 WeakPolarHBondContact O-CB 3.19Å; K424-D428 PolarHBondContact O-N 3.47Å; K425-D428 PolarHBondContact O-N 3.38Å; D426-D428 VanDerWaalsContact C-N 3.28Å; D426-D428 PolarHBondContact O-N 3.09Å; D428-V430 VanDerWaalsContact C-N 3.34Å; D428-V430 PolarHBondContact O-N 2.71Å; D428-C431 PolarHBondContact O-N 3.3Å; D428-R432 WeakPolarHBondContact O-CB 3.32Å; D428-R432 WeakPolarHBondContact O-CG 3.4Å; D428-R432 PolarHBondContact O-N 2.86Å; D428-R432 IonicContact OD2-CZ 2.8Å; D428-R432 IonicContact OD2-NE 3.1Å; D428-R432 PolarHBondContact OD2-NE 3.23Å; D428-R432 IonicContact OD2-NH2 3.34Å; D428-G438 WeakPolarHBondContact OD1-CA 3.43Å; D428-V439 HydrophobicContact CB-CB 4.45Å; D428-V439 HydrophobicContact CB-CG1 4.04Å; D428-V439 PolarHBondContact OD1-N 2.97Å; D428-V439 VanDerWaalsContact OD1-N 3.14Å
429V98.2Very high96.7Very high0 Ų042.7 Ų42.70%022%0.219CC..Hα-helixtrans-60-44.8174.1174.40000110.6K425 D426 M433 C462 E466 I469K425-V429 WeakPolarHBondContact O-CG2 3.33Å; K425-V429 PolarHBondContact O-N 2.9Å; K425-V429 VanDerWaalsContact O-N 3.14Å; D426-V429 PolarHBondContact O-N 3.26Å; V429-M433 WeakPolarHBondContact O-CB 3.34Å; V429-M433 PolarHBondContact O-N 3.04Å; V429-C462 HydrophobicContact CG2-CB 3.95Å; V429-E466 HydrophobicContact CG1-CB 4.13Å; V429-E466 HydrophobicContact CG2-CB 4.06Å; V429-I469 HydrophobicContact CG1-CB 4.38Å
430V97.7Very high96.7Very high0 Ų047.1 Ų47.10%024%0.239CC..Hα-helixtrans-60.4-49.3176.7168.40000111.8I393 L395 V406 W422 D426 G427 D428 M433 L434 I469 V490I393-V430 HydrophobicContact CD1-CB 4.2Å; I393-V430 HydrophobicContact CD1-CG1 3.7Å; I393-V430 HydrophobicContact CD1-CG2 3.76Å; L395-V430 HydrophobicContact CD2-CG1 4.3Å; V406-V430 HydrophobicContact CG1-CG1 4.42Å; V406-V430 HydrophobicContact CG1-CG2 4.34Å; V406-V430 HydrophobicContact CG2-CG1 4.29Å; W422-V430 HydrophobicContact CH2-CG2 3.85Å; W422-V430 HydrophobicContact CZ2-CG2 4.41Å; D426-V430 PolarHBondContact O-N 3.39Å; G427-V430 PolarHBondContact O-N 2.94Å; D428-V430 VanDerWaalsContact C-N 3.34Å; D428-V430 PolarHBondContact O-N 2.71Å; V430-M433 PolarHBondContact O-N 3.45Å; V430-L434 HydrophobicContact CG1-CD1 3.96Å; V430-L434 WeakPolarHBondContact O-CG 3.42Å; V430-L434 PolarHBondContact O-N 3.26Å; V430-I469 HydrophobicContact CG2-CB 4.25Å; V430-I469 HydrophobicContact CG2-CD1 3.54Å; V430-I469 HydrophobicContact CG2-CG1 4.37Å; V430-V490 HydrophobicContact CG1-CG2 4.05Å
431C97.4Very high96.7Very high0 Ų049 Ų490%025%0.246CC..Hα-helixtrans-64.2-43.8-178.2-72.70000111.8G427 D428 L434 G435 F436 C492G427-C431 WeakPolarHBondContact O-CB 3.25Å; G427-C431 PolarHBondContact O-N 3.2Å; G427-C431 PolarHBondContact O-SG 3.38Å; G427-C431 VanDerWaalsContact O-SG 3.34Å; D428-C431 PolarHBondContact O-N 3.3Å; C431-L434 PolarHBondContact O-N 3.08Å; C431-G435 PolarHBondContact O-N 3.39Å; C431-F436 HydrophobicContact CB-CB 4.26Å; C431-F436 WeakPolarHBondContact O-CB 3.44Å; C431-F436 PolarHBondContact O-N 3.5Å; C431-C492 WeakPolarHBondContact CA-SG 3.33Å; C431-C492 HydrophobicContact CB-CB 3.71Å; C431-C492 WeakPolarHBondContact CB-SG 3.42Å; C431-C492 WeakPolarHBondContact SG-CA 3.42Å; C431-C492 WeakPolarHBondContact SG-CB 3.24Å; C431-C492 CovalentContact SG-SG 2.04Å; C431-C492 PolarHBondContact SG-SG 3.16Å
432R95.7Very high96.9Very high81 Ų8147.9 Ų47.931%0.30623%0.23SC..Hα-helixtrans-65.5-39.4175.5-71.1-170.5-63.295.8-0.1112.4D428 L434 G435 F436 G464 E466D428-R432 WeakPolarHBondContact O-CB 3.32Å; D428-R432 WeakPolarHBondContact O-CG 3.4Å; D428-R432 PolarHBondContact O-N 2.86Å; D428-R432 IonicContact OD2-CZ 2.8Å; D428-R432 IonicContact OD2-NE 3.1Å; D428-R432 PolarHBondContact OD2-NE 3.23Å; D428-R432 IonicContact OD2-NH2 3.34Å; R432-L434 PolarHBondContact O-N 2.94Å; R432-G435 WeakPolarHBondContact O-CA 3.48Å; R432-G435 PolarHBondContact O-N 2.96Å; R432-F436 WeakPolarHBondContact CA-O 3.25Å; R432-G464 PolarHBondContact NH2-O 3.39Å; R432-E466 PolarHBondContact NH1-O 3.43Å; R432-E466 VanDerWaalsContact NH1-O 3.12Å; R432-E466 PolarHBondContact NH2-O 3.44Å
433M95.3Very high96.9Very high49 Ų4950.7 Ų50.724%0.24124%0.241CC..Hα-helixtrans-61.2-33.4175.6-178.5-178.9170.400112I393 V429 V430 G435 T468 I469 F470I393-M433 HydrophobicContact CB-CE 4.08Å; I393-M433 HydrophobicContact CB-SD 4.36Å; I393-M433 HydrophobicContact CD1-SD 4.42Å; I393-M433 HydrophobicContact CG2-CE 3.5Å; I393-M433 HydrophobicContact CG2-CG 4.04Å; I393-M433 HydrophobicContact CG2-SD 3.72Å; V429-M433 WeakPolarHBondContact O-CB 3.34Å; V429-M433 PolarHBondContact O-N 3.04Å; V430-M433 PolarHBondContact O-N 3.45Å; M433-G435 VanDerWaalsContact C-N 3.27Å; M433-T468 HydrophobicContact CE-CG2 4.2Å; M433-T468 HydrophobicContact CG-CG2 4.31Å; M433-T468 HydrophobicContact SD-CG2 4.08Å; M433-I469 HydrophobicContact SD-CG2 4.22Å; M433-F470 HydrophobicContact CE-CD2 4.02Å; M433-F470 HydrophobicContact CE-CE2 3.39Å; M433-F470 HydrophobicContact CE-CZ 4.28Å; M433-F470 HydrophobicContact SD-CE2 4.26Å
434L94.8Very high96.7Very high55 Ų5554.6 Ų54.629%0.28825%0.251SS..THydrogen-bonded Turntrans-81.8-1.4173.8-73166.5000113.8I393 L395 V430 C431 R432 F436I393-L434 HydrophobicContact CG2-CD2 3.78Å; I393-L434 HydrophobicContact CG2-CG 4.01Å; L395-L434 HydrophobicContact CD1-CD1 3.81Å; L395-L434 HydrophobicContact CD2-CD1 3.97Å; L395-L434 HydrophobicContact CG-CD1 3.6Å; V430-L434 HydrophobicContact CG1-CD1 3.96Å; V430-L434 WeakPolarHBondContact O-CG 3.42Å; V430-L434 PolarHBondContact O-N 3.26Å; C431-L434 PolarHBondContact O-N 3.08Å; R432-L434 PolarHBondContact O-N 2.94Å; L434-F436 HydrophobicContact CB-CD2 3.76Å; L434-F436 HydrophobicContact CB-CE2 3.81Å
435G94.6Very high96.6Very high44 Ų4454.1 Ų54.145%0.45426%0.258SS..THydrogen-bonded Turntrans94.60.4177.200000115.3C431 R432 M433 H495C431-G435 PolarHBondContact O-N 3.39Å; R432-G435 WeakPolarHBondContact O-CA 3.48Å; R432-G435 PolarHBondContact O-N 2.96Å; M433-G435 VanDerWaalsContact C-N 3.27Å; G435-H495 PolarHBondContact O-CE1 2.81Å; G435-H495 PolarHBondContact O-NE2 3.42Å
436F96.1Very high96.5Very high31 Ų3149.4 Ų49.414%0.13624%0.24CC..SBendtrans-79.3164.6178.3-59.5-73.3000112.5P401 H402 C431 R432 L434 G438 C492P401-F436 WeakPolarHBondContact O-CE2 3.42Å; P401-F436 VanDerWaalsContact O-CZ 3.3Å; P401-F436 WeakPolarHBondContact O-CZ 3.45Å; H402-F436 HydrophobicContact CB-CD1 4.29Å; H402-F436 HydrophobicContact CB-CE1 3.73Å; H402-F436 HydrophobicContact CB-CE2 4.45Å; H402-F436 HydrophobicContact CB-CZ 3.83Å; C431-F436 HydrophobicContact CB-CB 4.26Å; C431-F436 WeakPolarHBondContact O-CB 3.44Å; C431-F436 PolarHBondContact O-N 3.5Å; R432-F436 WeakPolarHBondContact CA-O 3.25Å; L434-F436 HydrophobicContact CB-CD2 3.76Å; L434-F436 HydrophobicContact CB-CE2 3.81Å; F436-G438 PolarHBondContact O-N 3.33Å; F436-C492 HydrophobicContact CB-CB 3.77Å; F436-C492 HydrophobicContact CD1-CB 4.35Å; F436-C492 HydrophobicContact CD2-CB 3.73Å; F436-C492 HydrophobicContact CE2-CB 4.45Å; F436-C492 HydrophobicContact CG-CB 3.68Å
437R93.5Very high96.4Very high178 Ų17857.1 Ų57.167%0.67227%0.269SS*.SBendtrans-64.4-25.4-179-85-161.2-99.9-160-2114.1N493 H495R437-N493 HydrophobicContact CB-CB 4.47Å; R437-H495 VanDerWaalsContact CZ-OXT 3.3Å; R437-H495 PolarHBondContact NE-OXT 2.85Å; R437-H495 PolarHBondContact NH2-OXT 3.45Å
438G94.9Very high96.4Very high3 Ų358.4 Ų58.43%0.03128%0.275CS..  trans154.1-177.1-17700000110.9D428 F436 N493D428-G438 WeakPolarHBondContact OD1-CA 3.43Å; F436-G438 PolarHBondContact O-N 3.33Å; G438-N493 PolarHBondContact O-N 3.23Å
439V97.4Very high96.4Very high19 Ų1957.9 Ų57.912%0.11528%0.279CS..EExtended strand (participates in β ladder)trans-81.6139-179.174.20000112.1K424 D428 E441 V442 T491 N493K424-V439 HydrophobicContact CB-CG1 4.07Å; K424-V439 HydrophobicContact CG-CG1 4.42Å; K424-V439 VanDerWaalsContact O-CG1 3.23Å; K424-V439 WeakPolarHBondContact O-CG1 3.4Å; D428-V439 HydrophobicContact CB-CB 4.45Å; D428-V439 HydrophobicContact CB-CG1 4.04Å; D428-V439 PolarHBondContact OD1-N 2.97Å; D428-V439 VanDerWaalsContact OD1-N 3.14Å; V439-E441 WeakPolarHBondContact CG2-O 3.36Å; V439-V442 HydrophobicContact CG2-CG1 3.72Å; V439-T491 WeakPolarHBondContact CG2-O 3.35Å; V439-N493 PolarHBondContact O-ND2 3.37Å; V439-N493 VanDerWaalsContact O-ND2 3.12Å
440E97Very high96.4Very high106 Ų10663.8 Ų63.850%0.49531%0.307SS..EExtended strand (participates in β ladder)trans-87.2-57.2166.7-175.7176.217600108.6K424 T491K424-E440 PolarHBondContact NZ-O 3.26Å; E440-T491 HydrophobicContact CB-CG2 4.33Å; E440-T491 WeakPolarHBondContact CB-O 3.37Å; E440-T491 PolarHBondContact N-O 3.48Å
441E97.7Very high96.3Very high89 Ų8964 Ų6442%0.41631%0.31SS..EExtended strand (participates in β ladder)trans-145.4151-178.2-166.8153-126.100112.1V439 Y443 T491V439-E441 WeakPolarHBondContact CG2-O 3.36Å; E441-Y443 HydrophobicContact CB-CE2 4.39Å; E441-Y443 HydrophobicContact CG-CD1 4.42Å; E441-Y443 HydrophobicContact CG-CE1 3.78Å; E441-Y443 HydrophobicContact CG-CE2 4.35Å; E441-Y443 WeakPolarHBondContact OE2-CE1 3.39Å; E441-Y443 VanDerWaalsContact OE2-CZ 3.25Å; E441-Y443 PolarHBondContact OE2-OH 3.42Å; E441-T491 PolarHBondContact N-O 3.43Å; E441-T491 VanDerWaalsContact N-O 3.14Å; E441-T491 PolarHBondContact O-N 2.77Å
442V98.1Very high96.1Very high26 Ų2670.1 Ų70.116%0.15835%0.347CS..EExtended strand (participates in β ladder)trans-116.1144.1171.3-61.80000108.6K424 V439 S489 V490K424-V442 HydrophobicContact CG-CG2 4.22Å; V439-V442 HydrophobicContact CG2-CG1 3.72Å; V442-S489 WeakPolarHBondContact CA-O 3.37Å; V442-V490 HydrophobicContact CG1-CG1 4.15Å
443Y97.8Very high96Very high59 Ų5969.4 Ų69.423%0.23137%0.365CS..EExtended strand (participates in β ladder)trans-121.7140.6178.1-56-76.7000110.8E441 R447 F448 S489E441-Y443 HydrophobicContact CB-CE2 4.39Å; E441-Y443 HydrophobicContact CG-CD1 4.42Å; E441-Y443 HydrophobicContact CG-CE1 3.78Å; E441-Y443 HydrophobicContact CG-CE2 4.35Å; E441-Y443 WeakPolarHBondContact OE2-CE1 3.39Å; E441-Y443 VanDerWaalsContact OE2-CZ 3.25Å; E441-Y443 PolarHBondContact OE2-OH 3.42Å; Y443-R447 HydrophobicContact CD1-CG 4.19Å; Y443-R447 HydrophobicContact CD2-CB 4.4Å; Y443-R447 HydrophobicContact CD2-CG 4.11Å; Y443-R447 HydrophobicContact CG-CB 3.96Å; Y443-R447 HydrophobicContact CG-CG 3.85Å; Y443-F448 AromaticContact CD2-CE2 3.86Å; Y443-F448 HydrophobicContact CD2-CE2 3.86Å; Y443-F448 HydrophobicContact CE2-CE2 4.15Å; Y443-F448 HydrophobicContact CE2-CZ 4.37Å; Y443-S489 PolarHBondContact N-O 2.89Å; Y443-S489 PolarHBondContact O-N 2.87Å; Y443-S489 VanDerWaalsContact O-N 3.09Å
444R95.1Very high96Very high136 Ų13673.3 Ų73.351%0.51338%0.377SS..  trans-98.9168.9168-52.7-169.1-179164.4-3.5108.4D419 W422D419-R444 HydrophobicContact CB-CB 3.93Å; D419-R444 HydrophobicContact CB-CG 4Å; D419-R444 WeakPolarHBondContact OD2-CA 3.42Å; D419-R444 WeakPolarHBondContact OD2-CB 3.39Å; W422-R444 PolarHBondContact O-NE 3.22Å; W422-R444 VanDerWaalsContact O-NE 3.11Å; W422-R444 PolarHBondContact O-NH2 3.38Å
445T94.4Very high96.2Very high108 Ų10871.4 Ų71.466%0.66337%0.367SS*.SBendtrans6640.8174.367.50000115.6D419 R447 A485D419-T445 PolarHBondContact OD2-N 3Å; T445-R447 PolarHBondContact O-N 2.87Å; T445-A485 CarbonylContact C-O 3.59Å; T445-A485 WeakPolarHBondContact CA-O 3.44Å
446A95.9Very high96.3Very high11 Ų1169.5 Ų69.59%0.09135%0.346CS..  trans5346.4172.800000114.7F448 G449 Q450 H484 A485 D487A446-F448 PolarHBondContact O-N 3.22Å; A446-F448 VanDerWaalsContact O-N 3.14Å; A446-G449 CarbonylContact O-C 3.55Å; A446-G449 WeakPolarHBondContact O-CA 3.36Å; A446-G449 PolarHBondContact O-N 3.49Å; A446-Q450 HydrophobicContact CB-CG 3.96Å; A446-H484 WeakPolarHBondContact CB-O 3.29Å; A446-A485 WeakPolarHBondContact CB-O 3.43Å; A446-A485 PolarHBondContact N-O 2.94Å; A446-D487 VanDerWaalsContact CA-O 3.27Å; A446-D487 WeakPolarHBondContact CA-O 3.32Å; A446-D487 HydrophobicContact CB-CB 4.2Å; A446-D487 PolarHBondContact N-O 3.49Å; A446-D487 VanDerWaalsContact N-O 3.15Å
447R96.9Very high96.4Very high161 Ų16168 Ų6861%0.60834%0.34SS*.THydrogen-bonded Turntrans-52.7-36-176.7178.664.4176.995.50.2114.5Y443 T445 G449Y443-R447 HydrophobicContact CD1-CG 4.19Å; Y443-R447 HydrophobicContact CD2-CB 4.4Å; Y443-R447 HydrophobicContact CD2-CG 4.11Å; Y443-R447 HydrophobicContact CG-CB 3.96Å; Y443-R447 HydrophobicContact CG-CG 3.85Å; T445-R447 PolarHBondContact O-N 2.87Å; R447-G449 VanDerWaalsContact C-N 3.3Å
448F97.8Very high96.6Very high27 Ų2759.6 Ų59.612%0.11831%0.308CS..THydrogen-bonded Turntrans-97.529176.2-62.4-80.7000112.3N397 E403 G404 R405 Y443 A446N397-F448 HydrophobicContact CB-CB 4.19Å; N397-F448 WeakPolarHBondContact CB-O 3.46Å; N397-F448 PolarHBondContact ND2-O 3.42Å; N397-F448 WeakPolarHBondContact O-CD1 3.42Å; E403-F448 HydrophobicContact CB-CE1 4.29Å; E403-F448 HydrophobicContact CB-CZ 3.85Å; E403-F448 HydrophobicContact CG-CE1 4.25Å; E403-F448 HydrophobicContact CG-CZ 4.29Å; G404-F448 VanDerWaalsContact CA-CD2 3.47Å; R405-F448 HydrophobicContact CB-CB 4.27Å; R405-F448 PolarHBondContact NH1-O 2.91Å; R405-F448 VanDerWaalsContact NH1-O 3.16Å; Y443-F448 AromaticContact CD2-CE2 3.86Å; Y443-F448 HydrophobicContact CD2-CE2 3.86Å; Y443-F448 HydrophobicContact CE2-CE2 4.15Å; Y443-F448 HydrophobicContact CE2-CZ 4.37Å; A446-F448 PolarHBondContact O-N 3.22Å; A446-F448 VanDerWaalsContact O-N 3.14Å
449G97.3Very high96.7Very high32 Ų3263 Ų6333%0.3333%0.325SS..  trans82.1162.5-178.400000112.8R405 A446 R447R405-G449 WeakPolarHBondContact CD-O 3.49Å; R405-G449 PolarHBondContact NH1-O 3.48Å; A446-G449 CarbonylContact O-C 3.55Å; A446-G449 WeakPolarHBondContact O-CA 3.36Å; A446-G449 PolarHBondContact O-N 3.49Å; R447-G449 VanDerWaalsContact C-N 3.3Å
450Q98.2Very high96.8Very high124 Ų12462.1 Ų62.158%0.57932%0.32SS*.  trans-75.8140.3179.5-60-170.96.200110.6A446 H484A446-Q450 HydrophobicContact CB-CG 3.96Å; Q450-H484 HydrophobicContact CB-CB 3.94Å; Q450-H484 HydrophobicContact CG-CB 4.45Å; Q450-H484 WeakPolarHBondContact CG-O 3.46Å
451G96.1Very high96.8Very high6 Ų659.8 Ų59.86%0.06232%0.319CS..  trans-75.4-178.2166.500000111.8H484 D487G451-H484 PolarHBondContact O-CD2 2.89Å; G451-H484 VanDerWaalsContact O-CD2 3.3Å; G451-D487 WeakPolarHBondContact CA-OD2 3.39Å; G451-D487 PolarHBondContact N-OD2 3.42Å
452T93.2Very high96.8Very high127 Ų12755.9 Ų55.978%0.77930%0.302SS*.  trans-135.7146.4173.457.80000109.8H484T452-H484 WeakPolarHBondContact CA-NE2 3.39Å
453G93Very high96.7Very high67 Ų6762.6 Ų62.669%0.69133%0.329SS*.SBendtrans96.4-126.9175.400000113.1H484G453-H484 PolarHBondContact N-NE2 3.46Å; G453-H484 VanDerWaalsContact N-NE2 3.19Å; G453-H484 PolarHBondContact O-NE2 3.48Å
454R96.4Very high96.5Very high131 Ų13160.6 Ų60.649%0.49433%0.326SS..  trans-91.4138.1-174.4-85.4-177.2166.9-126.9-2.8110.9G415 T416 W456G415-R454 CarbonylContact C-O 3.59Å; G415-R454 WeakPolarHBondContact CA-O 3.39Å; T416-R454 PolarHBondContact N-O 3.41Å; R454-W456 HydrophobicContact CB-CD2 4.31Å; R454-W456 HydrophobicContact CB-CZ2 4.31Å
455I98.1Very high96.5Very high15 Ų1559.7 Ų59.78%0.07734%0.336CS..EExtended strand (participates in β ladder)trans-90.7117.2160.7-55173.8000105.8T416 C418 G478 T480 C482T416-I455 CarbonylContact O-C 3.58Å; T416-I455 WeakPolarHBondContact OG1-CG1 3.43Å; C418-I455 HydrophobicContact CB-CG2 4.13Å; I455-G478 WeakPolarHBondContact O-CA 3.48Å; I455-T480 HydrophobicContact CB-CG2 3.85Å; I455-T480 HydrophobicContact CD1-CG2 4.29Å; I455-T480 HydrophobicContact CG2-CG2 4.07Å; I455-C482 HydrophobicContact CD1-CB 4.12Å; I455-C482 WeakPolarHBondContact CD1-O 3.35Å
456W97.6Very high96.6Very high4 Ų455.8 Ų55.82%0.01531%0.31CS..EExtended strand (participates in β ladder)trans-89.6-32.5-171.5-81.3135.4000113.7V408 H410 D411 R413 G415 T416 R454 W477 G478V408-W456 HydrophobicContact CG2-CB 3.63Å; V408-W456 HydrophobicContact CG2-CG 4.14Å; H410-W456 HydrophobicContact CB-CD2 4.17Å; H410-W456 HydrophobicContact CB-CG 4.31Å; H410-W456 AromaticContact ND1-CE3 3.82Å; H410-W456 AromaticContact ND1-CH2 3.93Å; H410-W456 AromaticContact ND1-CZ3 3.64Å; H410-W456 WeakPolarHBondContact O-CZ2 3.38Å; D411-W456 HydrophobicContact CB-CH2 4.17Å; R413-W456 HydrophobicContact CB-CZ2 4.22Å; R413-W456 PolarHBondContact O-NE1 3.44Å; R413-W456 VanDerWaalsContact O-NE1 3.11Å; G415-W456 VanDerWaalsContact N-CD1 3.28Å; T416-W456 PolarHBondContact O-N 3.23Å; R454-W456 HydrophobicContact CB-CD2 4.31Å; R454-W456 HydrophobicContact CB-CZ2 4.31Å; W456-W477 HydrophobicContact CB-CE3 4.1Å; W456-W477 HydrophobicContact CB-CZ3 4.1Å; W456-W477 HydrophobicContact CE3-CE3 4.5Å; W456-W477 WeakPolarHBondContact O-CA 3.36Å; W456-G478 PolarHBondContact O-N 2.94Å
457M97.9Very high96.5Very high0 Ų061.3 Ų61.30%033%0.334CS..EExtended strand (participates in β ladder)trans-130.8143-173.6-57.5-179.173.800109.6V408 V417 C418 V460 I469 F470 F474 W477V408-M457 HydrophobicContact CG1-SD 4.04Å; V408-M457 HydrophobicContact CG2-CG 4.21Å; V408-M457 HydrophobicContact CG2-SD 4.09Å; V417-M457 WeakPolarHBondContact CA-O 3.32Å; V417-M457 HydrophobicContact CG1-CB 4.08Å; V417-M457 HydrophobicContact CG2-CB 4.22Å; V417-M457 HydrophobicContact CG2-SD 4.47Å; C418-M457 PolarHBondContact N-O 2.92Å; M457-V460 HydrophobicContact CB-CG2 3.92Å; M457-V460 HydrophobicContact CE-CG2 4.26Å; M457-I469 HydrophobicContact CE-CG1 4Å; M457-I469 HydrophobicContact SD-CG1 4.41Å; M457-I469 HydrophobicContact SD-CG2 4.49Å; M457-F470 HydrophobicContact SD-CD1 4.37Å; M457-F470 HydrophobicContact SD-CE1 4.42Å; M457-F474 HydrophobicContact CE-CB 4.31Å; M457-F474 HydrophobicContact CE-CD1 3.5Å; M457-F474 HydrophobicContact CE-CD2 4.2Å; M457-F474 HydrophobicContact CE-CE1 3.76Å; M457-F474 HydrophobicContact CE-CE2 4.4Å; M457-F474 HydrophobicContact CE-CG 3.76Å; M457-F474 HydrophobicContact CE-CZ 4.2Å; M457-F474 HydrophobicContact CG-CD2 4.43Å; M457-W477 HydrophobicContact CG-CE3 4.21Å; M457-W477 HydrophobicContact CG-CH2 4.44Å; M457-W477 HydrophobicContact CG-CZ3 3.75Å; M457-W477 HydrophobicContact SD-CH2 4.3Å; M457-W477 HydrophobicContact SD-CZ3 4.14Å
458D98.2Very high96.4Very high1 Ų155.3 Ų55.31%0.00532%0.315CS..  trans-149.4154.1-178.8-164.22.4000109.3C418 D420 V460 F474 S475 T480 N481C418-D458 HydrophobicContact CB-CB 4.22Å; C418-D458 WeakPolarHBondContact CB-OD1 3.36Å; D420-D458 WeakPolarHBondContact CB-OD1 3.49Å; D458-V460 PolarHBondContact O-N 2.96Å; D458-F474 WeakPolarHBondContact O-CB 3.47Å; D458-S475 PolarHBondContact O-N 3.07Å; D458-T480 VanDerWaalsContact CG-OG1 3.29Å; D458-T480 WeakPolarHBondContact OD2-CA 3.4Å; D458-T480 WeakPolarHBondContact OD2-CB 3.39Å; D458-T480 PolarHBondContact OD2-OG1 3.36Å; D458-N481 PolarHBondContact OD2-N 2.98Å; D458-N481 PolarHBondContact OD2-OD1 3.26Å
459D97.4Very high96.3Very high73 Ų7354 Ų5439%0.3931%0.31SS..SBendtrans47.946.3-171.8-63.5-61.3000112.1D420 A461 F474 S475D420-D459 WeakPolarHBondContact O-CA 3.47Å; D459-A461 PolarHBondContact O-N 3.38Å; D459-F474 WeakPolarHBondContact O-CA 3.34Å; D459-S475 PolarHBondContact OD2-OG 2.98Å
460V97.9Very high96.2Very high1 Ų153.7 Ų53.71%0.00630%0.299CS..  trans-66.2124.3178.8-174.90000108.3V417 W422 D426 M457 D458 I469 C472 F474V417-V460 HydrophobicContact CG1-CG2 3.73Å; W422-V460 HydrophobicContact CE3-CB 4.17Å; W422-V460 HydrophobicContact CZ3-CB 4.1Å; W422-V460 HydrophobicContact CZ3-CG1 4.16Å; W422-V460 HydrophobicContact CZ3-CG2 4.32Å; D426-V460 HydrophobicContact CB-CG1 4.26Å; M457-V460 HydrophobicContact CB-CG2 3.92Å; M457-V460 HydrophobicContact CE-CG2 4.26Å; D458-V460 PolarHBondContact O-N 2.96Å; V460-I469 HydrophobicContact CG1-CD1 4.15Å; V460-I469 HydrophobicContact CG1-CG1 4.07Å; V460-C472 HydrophobicContact CG1-CB 4.2Å; V460-F474 HydrophobicContact CG2-CB 4.17Å
461A97.6Very high96.1Very high57 Ų5755.7 Ų55.747%0.47130%0.301SS..BIsolated β-bridgetrans-135.578-176.300000109.6D459 S473D459-A461 PolarHBondContact O-N 3.38Å; A461-S473 PolarHBondContact N-O 3.34Å
462C97.9Very high96.1Very high8 Ų855.8 Ų55.85%0.05430%0.301CS..  trans-73.2146.2172.7-62.50000111.3D426 V429 G464 C472D426-C462 WeakPolarHBondContact OD1-CB 3.48Å; D426-C462 PolarHBondContact OD1-N 2.89Å; D426-C462 PolarHBondContact OD1-SG 3.38Å; D426-C462 VanDerWaalsContact OD1-SG 3.34Å; V429-C462 HydrophobicContact CG2-CB 3.95Å; C462-G464 VanDerWaalsContact C-N 3.26Å; C462-C472 VanDerWaalsContact CA-SG 3.55Å; C462-C472 HydrophobicContact CB-CB 3.9Å; C462-C472 WeakPolarHBondContact CB-SG 3.44Å; C462-C472 WeakPolarHBondContact SG-CB 3.49Å; C462-C472 CovalentContact SG-SG 2.02Å; C462-C472 PolarHBondContact SG-SG 2.74Å
463K96.3Very high96.3Very high167 Ų16753.9 Ų53.973%0.72629%0.293SS*.  trans-75.1-21.9166.8-63.3177.5-177175.10111.5E466K463-E466 WeakPolarHBondContact CB-OE1 3.31Å; K463-E466 VanDerWaalsContact N-CD 3.31Å; K463-E466 PolarHBondContact N-OE1 2.93Å; K463-E466 PolarHBondContact N-OE2 3.16Å; K463-E466 VanDerWaalsContact N-OE2 3.08Å
464G93.3Very high96.4Very high17 Ų1752.6 Ų52.618%0.17527%0.268CS..SBendtrans97.1-6.2-177.500000113.2R432 C462 E466R432-G464 PolarHBondContact NH2-O 3.39Å; C462-G464 VanDerWaalsContact C-N 3.26Å; G464-E466 PolarHBondContact N-OE2 3Å
465T94.3Very high96.2Very high117 Ų11749 Ų4972%0.71826%0.263SS*.  trans-101.2-7-179.655.40000113.1
466E97.2Very high96.1Very high25 Ų2555.6 Ų55.612%0.11729%0.291CS..  trans-64.6146.9-179-63.185.3168.800111.2V429 R432 K463 G464 R471V429-E466 HydrophobicContact CG1-CB 4.13Å; V429-E466 HydrophobicContact CG2-CB 4.06Å; R432-E466 PolarHBondContact NH1-O 3.43Å; R432-E466 VanDerWaalsContact NH1-O 3.12Å; R432-E466 PolarHBondContact NH2-O 3.44Å; K463-E466 WeakPolarHBondContact CB-OE1 3.31Å; K463-E466 VanDerWaalsContact N-CD 3.31Å; K463-E466 PolarHBondContact N-OE1 2.93Å; K463-E466 PolarHBondContact N-OE2 3.16Å; K463-E466 VanDerWaalsContact N-OE2 3.08Å; G464-E466 PolarHBondContact N-OE2 3Å; E466-R471 HydrophobicContact CB-CB 4.37Å; E466-R471 HydrophobicContact CG-CB 4.28Å
467E93.4Very high96Very high127 Ų12759.3 Ų59.359%0.59331%0.305SS*.SBendtrans-78.8-29.7175.2-67178.2154.200112.1R471E467-R471 IonicContact OE2-CZ 2.8Å; E467-R471 IonicContact OE2-NH1 3.27Å; E467-R471 PolarHBondContact OE2-NH1 2.96Å
468T95.1Very high95.9Very high36 Ų3660.6 Ų60.622%0.22132%0.319CS..SBendtrans-139.3148.7-178.667.20000110.1M433 F470 R471M433-T468 HydrophobicContact CE-CG2 4.2Å; M433-T468 HydrophobicContact CG-CG2 4.31Å; M433-T468 HydrophobicContact SD-CG2 4.08Å; T468-F470 PolarHBondContact O-N 2.68Å; T468-F470 VanDerWaalsContact O-N 3.17Å; T468-R471 PolarHBondContact O-N 3.28Å; T468-R471 VanDerWaalsContact O-N 3.09Å
469I96.6Very high95.8Very high0 Ų064.7 Ų64.70%034%0.344CS..G310 helixtrans-60.6-26177.4-170.4165.7000112I393 V408 W422 V429 V430 M433 M457 V460 R471 C472I393-I469 HydrophobicContact CD1-CG2 4Å; V408-I469 HydrophobicContact CG1-CG2 4.32Å; W422-I469 HydrophobicContact CH2-CD1 3.77Å; W422-I469 HydrophobicContact CZ3-CD1 3.8Å; V429-I469 HydrophobicContact CG1-CB 4.38Å; V430-I469 HydrophobicContact CG2-CB 4.25Å; V430-I469 HydrophobicContact CG2-CD1 3.54Å; V430-I469 HydrophobicContact CG2-CG1 4.37Å; M433-I469 HydrophobicContact SD-CG2 4.22Å; M457-I469 HydrophobicContact CE-CG1 4Å; M457-I469 HydrophobicContact SD-CG1 4.41Å; M457-I469 HydrophobicContact SD-CG2 4.49Å; V460-I469 HydrophobicContact CG1-CD1 4.15Å; V460-I469 HydrophobicContact CG1-CG1 4.07Å; I469-R471 PolarHBondContact O-N 2.83Å; I469-C472 VanDerWaalsContact O-CB 3.32Å; I469-C472 WeakPolarHBondContact O-CB 3.32Å; I469-C472 PolarHBondContact O-N 2.9Å; I469-C472 VanDerWaalsContact O-N 3.08Å
470F95.2Very high95.7Very high24 Ų2463.6 Ų63.611%0.10534%0.34CS..G310 helixtrans-67.8-15.6178.6-50-57.3000114M391 V408 M433 M457 T468 W477M391-F470 HydrophobicContact CB-CD2 3.45Å; M391-F470 VanDerWaalsContact CB-CD2 3.45Å; M391-F470 HydrophobicContact CB-CE1 4.37Å; M391-F470 HydrophobicContact CB-CE2 3.23Å; M391-F470 HydrophobicContact CB-CG 4.12Å; M391-F470 HydrophobicContact CB-CZ 3.74Å; M391-F470 HydrophobicContact CE-CB 4.36Å; M391-F470 HydrophobicContact CE-CD2 4.49Å; M391-F470 HydrophobicContact CG-CD2 4.25Å; M391-F470 HydrophobicContact CG-CE2 4.38Å; M391-F470 HydrophobicContact SD-CB 3.74Å; M391-F470 HydrophobicContact SD-CD1 4.19Å; M391-F470 HydrophobicContact SD-CD2 3.79Å; M391-F470 HydrophobicContact SD-CE2 4.46Å; M391-F470 HydrophobicContact SD-CG 3.62Å; V408-F470 HydrophobicContact CB-CE1 3.87Å; V408-F470 HydrophobicContact CB-CZ 4.19Å; V408-F470 HydrophobicContact CG1-CE1 3.87Å; V408-F470 HydrophobicContact CG1-CZ 4.15Å; M433-F470 HydrophobicContact CE-CD2 4.02Å; M433-F470 HydrophobicContact CE-CE2 3.39Å; M433-F470 HydrophobicContact CE-CZ 4.28Å; M433-F470 HydrophobicContact SD-CE2 4.26Å; M457-F470 HydrophobicContact SD-CD1 4.37Å; M457-F470 HydrophobicContact SD-CE1 4.42Å; T468-F470 PolarHBondContact O-N 2.68Å; T468-F470 VanDerWaalsContact O-N 3.17Å; F470-W477 AromaticContact CD1-CH2 3.56Å; F470-W477 HydrophobicContact CD1-CH2 3.56Å; F470-W477 HydrophobicContact CD1-CZ2 4.11Å; F470-W477 AromaticContact CE1-CH2 3.83Å; F470-W477 HydrophobicContact CE1-CH2 3.83Å
471R95.3Very high95.6Very high167 Ų16769.2 Ų69.263%0.6337%0.37SS*.G310 helixtrans-93.9-5.8174.3-72.4-173.9172.9163.34113.3E466 E467 T468 I469E466-R471 HydrophobicContact CB-CB 4.37Å; E466-R471 HydrophobicContact CG-CB 4.28Å; E467-R471 IonicContact OE2-CZ 2.8Å; E467-R471 IonicContact OE2-NH1 3.27Å; E467-R471 PolarHBondContact OE2-NH1 2.96Å; T468-R471 PolarHBondContact O-N 3.28Å; T468-R471 VanDerWaalsContact O-N 3.09Å; I469-R471 PolarHBondContact O-N 2.83Å
472C96.6Very high95.6Very high8 Ų867.4 Ų67.45%0.05435%0.353CS..SBendtrans-72.7159.8174.2-57.50000110.5V460 C462 I469 F474V460-C472 HydrophobicContact CG1-CB 4.2Å; C462-C472 VanDerWaalsContact CA-SG 3.55Å; C462-C472 HydrophobicContact CB-CB 3.9Å; C462-C472 WeakPolarHBondContact CB-SG 3.44Å; C462-C472 WeakPolarHBondContact SG-CB 3.49Å; C462-C472 CovalentContact SG-SG 2.02Å; C462-C472 PolarHBondContact SG-SG 2.74Å; I469-C472 VanDerWaalsContact O-CB 3.32Å; I469-C472 WeakPolarHBondContact O-CB 3.32Å; I469-C472 PolarHBondContact O-N 2.9Å; I469-C472 VanDerWaalsContact O-N 3.08Å; C472-F474 VanDerWaalsContact O-CD1 3.31Å; C472-F474 WeakPolarHBondContact O-CD1 3.43Å
473S96.9Very high95.6Very high86 Ų8668.6 Ų68.660%0.60137%0.367SS*.BIsolated β-bridgetrans-71.6137.3167.2-171.30000108.5A461A461-S473 PolarHBondContact N-O 3.34Å
474F96.4Very high95.7Very high41 Ų4162.4 Ų62.418%0.1834%0.341CS..  trans-154.6164.9171.562.2-85.3000107.8M457 D458 D459 V460 C472 W477M457-F474 HydrophobicContact CE-CB 4.31Å; M457-F474 HydrophobicContact CE-CD1 3.5Å; M457-F474 HydrophobicContact CE-CD2 4.2Å; M457-F474 HydrophobicContact CE-CE1 3.76Å; M457-F474 HydrophobicContact CE-CE2 4.4Å; M457-F474 HydrophobicContact CE-CG 3.76Å; M457-F474 HydrophobicContact CE-CZ 4.2Å; M457-F474 HydrophobicContact CG-CD2 4.43Å; D458-F474 WeakPolarHBondContact O-CB 3.47Å; D459-F474 WeakPolarHBondContact O-CA 3.34Å; V460-F474 HydrophobicContact CG2-CB 4.17Å; C472-F474 VanDerWaalsContact O-CD1 3.31Å; C472-F474 WeakPolarHBondContact O-CD1 3.43Å; F474-W477 AromaticContact CE2-CD2 3.93Å; F474-W477 HydrophobicContact CE2-CD2 3.93Å; F474-W477 HydrophobicContact CE2-CE3 4.31Å; F474-W477 HydrophobicContact CE2-CG 4.18Å; F474-W477 HydrophobicContact CZ-CD2 4.02Å; F474-W477 AromaticContact CZ-CE2 3.64Å; F474-W477 HydrophobicContact CZ-CG 4.45Å; F474-W477 HydrophobicContact CZ-CH2 4.48Å; F474-W477 AromaticContact CZ-CZ2 3.91Å; F474-W477 HydrophobicContact CZ-CZ2 3.91Å; F474-W477 AromaticContact CZ-NE1 3.82Å
475S91.9Very high95.9Very high56 Ų5664 Ų6439%0.39235%0.352SS..SBendtrans-54.2-80.7-172-85.70000113.1D458 D459D458-S475 PolarHBondContact O-N 3.07Å; D459-S475 PolarHBondContact OD2-OG 2.98Å
476K94.9Very high96.1Very high153 Ų15361.5 Ų61.567%0.66533%0.333SS*.BIsolated β-bridgetrans-160.1160.3166.2-65.9-172-177.3165.30108.6G478 V479K476-G478 PolarHBondContact O-N 3.3Å; K476-G478 VanDerWaalsContact O-N 3.11Å; K476-V479 HydrophobicContact CB-CB 4.1Å; K476-V479 HydrophobicContact CB-CG2 3.89Å; K476-V479 PolarHBondContact O-N 2.97Å; K476-V479 VanDerWaalsContact O-N 3.14Å
477W95.8Very high96.2Very high81 Ų8160.3 Ų60.331%0.30733%0.327SS..THydrogen-bonded Turntrans-55.2117.5176.7-71.3114.1000113V408 H410 W456 M457 F470 F474 V479V408-W477 HydrophobicContact CG2-CZ3 4.34Å; H410-W477 HydrophobicContact CB-CE3 4.02Å; H410-W477 HydrophobicContact CB-CH2 4.11Å; H410-W477 HydrophobicContact CB-CZ3 3.7Å; H410-W477 AromaticContact CD2-CD2 3.61Å; H410-W477 AromaticContact CD2-CE2 3.52Å; H410-W477 AromaticContact CD2-CE3 3.8Å; H410-W477 AromaticContact CD2-CH2 3.79Å; H410-W477 AromaticContact CD2-CZ2 3.63Å; H410-W477 AromaticContact CD2-CZ3 3.9Å; H410-W477 AromaticContact CE1-CD2 3.86Å; H410-W477 AromaticContact CE1-CG 3.75Å; H410-W477 AromaticContact CG-CD2 3.86Å; H410-W477 AromaticContact CG-CE3 3.63Å; H410-W477 AromaticContact CG-CZ3 3.74Å; H410-W477 AromaticContact ND1-CE3 3.92Å; H410-W477 AromaticContact NE2-CD1 3.81Å; H410-W477 AromaticContact NE2-CD2 3.64Å; H410-W477 AromaticContact NE2-CE2 3.66Å; H410-W477 AromaticContact NE2-CG 3.74Å; H410-W477 AromaticContact NE2-NE1 3.76Å; W456-W477 HydrophobicContact CB-CE3 4.1Å; W456-W477 HydrophobicContact CB-CZ3 4.1Å; W456-W477 HydrophobicContact CE3-CE3 4.5Å; W456-W477 WeakPolarHBondContact O-CA 3.36Å; M457-W477 HydrophobicContact CG-CE3 4.21Å; M457-W477 HydrophobicContact CG-CH2 4.44Å; M457-W477 HydrophobicContact CG-CZ3 3.75Å; M457-W477 HydrophobicContact SD-CH2 4.3Å; M457-W477 HydrophobicContact SD-CZ3 4.14Å; F470-W477 AromaticContact CD1-CH2 3.56Å; F470-W477 HydrophobicContact CD1-CH2 3.56Å; F470-W477 HydrophobicContact CD1-CZ2 4.11Å; F470-W477 AromaticContact CE1-CH2 3.83Å; F470-W477 HydrophobicContact CE1-CH2 3.83Å; F474-W477 AromaticContact CE2-CD2 3.93Å; F474-W477 HydrophobicContact CE2-CD2 3.93Å; F474-W477 HydrophobicContact CE2-CE3 4.31Å; F474-W477 HydrophobicContact CE2-CG 4.18Å; F474-W477 HydrophobicContact CZ-CD2 4.02Å; F474-W477 AromaticContact CZ-CE2 3.64Å; F474-W477 HydrophobicContact CZ-CG 4.45Å; F474-W477 HydrophobicContact CZ-CH2 4.48Å; F474-W477 AromaticContact CZ-CZ2 3.91Å; F474-W477 HydrophobicContact CZ-CZ2 3.91Å; F474-W477 AromaticContact CZ-NE1 3.82Å; W477-V479 PolarHBondContact O-N 2.84Å
478G95.1Very high96.4Very high28 Ų2854.3 Ų54.329%0.28930%0.299SS..THydrogen-bonded Turntrans71.611.4176.200000115.1I455 W456 K476I455-G478 WeakPolarHBondContact O-CA 3.48Å; W456-G478 PolarHBondContact O-N 2.94Å; K476-G478 PolarHBondContact O-N 3.3Å; K476-G478 VanDerWaalsContact O-N 3.11Å
479V96.1Very high96.6Very high87 Ų8752.6 Ų52.653%0.52729%0.288SS..BIsolated β-bridgetrans-103.2114.5174.2179.80000107.6K476 W477K476-V479 HydrophobicContact CB-CB 4.1Å; K476-V479 HydrophobicContact CB-CG2 3.89Å; K476-V479 PolarHBondContact O-N 2.97Å; K476-V479 VanDerWaalsContact O-N 3.14Å; W477-V479 PolarHBondContact O-N 2.84Å
480T96.6Very high96.6Very high50 Ų5052.6 Ų52.631%0.30729%0.288SS..  trans-153.6154.7-177.3179.40000111.3I455 D458 C482I455-T480 HydrophobicContact CB-CG2 3.85Å; I455-T480 HydrophobicContact CD1-CG2 4.29Å; I455-T480 HydrophobicContact CG2-CG2 4.07Å; D458-T480 VanDerWaalsContact CG-OG1 3.29Å; D458-T480 WeakPolarHBondContact OD2-CA 3.4Å; D458-T480 WeakPolarHBondContact OD2-CB 3.39Å; D458-T480 PolarHBondContact OD2-OG1 3.36Å; T480-C482 VanDerWaalsContact OG1-CB 3.31Å; T480-C482 WeakPolarHBondContact OG1-CB 3.47Å; T480-C482 PolarHBondContact OG1-N 3.21Å; T480-C482 PolarHBondContact OG1-SG 3.47Å
481N95.8Very high96.8Very high119 Ų11951.8 Ų51.864%0.63629%0.286SS*.SBendtrans-100.14.8166.954.3-76.9000113.3D420 D458D420-N481 PolarHBondContact OD2-ND2 3.25Å; D420-N481 VanDerWaalsContact OD2-ND2 3.15Å; D458-N481 PolarHBondContact OD2-N 2.98Å; D458-N481 PolarHBondContact OD2-OD1 3.26Å
482C97.4Very high96.9Very high18 Ų1843.9 Ų43.912%0.12226%0.256CS..  trans-90.7156.7-172.3-51.20000113.6C418 I455 T480 E486C418-C482 HydrophobicContact CB-CB 3.66Å; C418-C482 WeakPolarHBondContact CB-SG 3.4Å; C418-C482 WeakPolarHBondContact SG-CB 3.31Å; C418-C482 CovalentContact SG-SG 2Å; C418-C482 PolarHBondContact SG-SG 3.4Å; I455-C482 HydrophobicContact CD1-CB 4.12Å; I455-C482 WeakPolarHBondContact CD1-O 3.35Å; T480-C482 VanDerWaalsContact OG1-CB 3.31Å; T480-C482 WeakPolarHBondContact OG1-CB 3.47Å; T480-C482 PolarHBondContact OG1-N 3.21Å; T480-C482 PolarHBondContact OG1-SG 3.47Å; C482-E486 VanDerWaalsContact CA-OE2 3.25Å; C482-E486 WeakPolarHBondContact CA-OE2 3.43Å; C482-E486 HydrophobicContact CB-CB 4.14Å
483G97.4Very high96.9Very high34 Ų3446.6 Ų46.635%0.35127%0.27SS..  trans-102.5169.7162.400000112A485 E486G483-A485 PolarHBondContact O-N 2.83Å; G483-E486 PolarHBondContact N-OE2 3.42Å; G483-E486 WeakPolarHBondContact O-CB 3.35Å; G483-E486 PolarHBondContact O-N 3.33Å
484H98.3Very high96.3Very high37 Ų3750.8 Ų50.817%0.17127%0.272CS..G310 helixtrans-66.2-10.4177.9-75.1-56.5000114.7T416 A446 Q450 G451 T452 G453 E486 D487T416-H484 PolarHBondContact OG1-CE1 2.82Å; T416-H484 PolarHBondContact OG1-ND1 2.88Å; A446-H484 WeakPolarHBondContact CB-O 3.29Å; Q450-H484 HydrophobicContact CB-CB 3.94Å; Q450-H484 HydrophobicContact CG-CB 4.45Å; Q450-H484 WeakPolarHBondContact CG-O 3.46Å; G451-H484 PolarHBondContact O-CD2 2.89Å; G451-H484 VanDerWaalsContact O-CD2 3.3Å; T452-H484 WeakPolarHBondContact CA-NE2 3.39Å; G453-H484 PolarHBondContact N-NE2 3.46Å; G453-H484 VanDerWaalsContact N-NE2 3.19Å; G453-H484 PolarHBondContact O-NE2 3.48Å; H484-E486 PolarHBondContact O-N 3.47Å; H484-D487 IonicContact CG-OD2 2.75Å; H484-D487 IonicContact ND1-OD1 3.46Å; H484-D487 PolarHBondContact ND1-OD1 2.92Å; H484-D487 VanDerWaalsContact ND1-OD1 3.07Å; H484-D487 IonicContact ND1-OD2 3.48Å; H484-D487 PolarHBondContact ND1-OD2 3.39Å; H484-D487 PolarHBondContact O-N 2.9Å
485A97.9Very high95.1Very high50 Ų5056.6 Ų56.641%0.41330%0.3SS..G310 helixtrans-63.9-18.4167.600000112.3T445 A446 G483T445-A485 CarbonylContact C-O 3.59Å; T445-A485 WeakPolarHBondContact CA-O 3.44Å; A446-A485 WeakPolarHBondContact CB-O 3.43Å; A446-A485 PolarHBondContact N-O 2.94Å; G483-A485 PolarHBondContact O-N 2.83Å
486E98.4Very high95.2Very high65 Ų6556.7 Ų56.730%0.30430%0.295SS..G310 helixtrans-10822.2-177.1-62.6161.5124.700111.2C418 D419 C482 G483 H484 A488C418-E486 CarbonylContact C-O 3.6Å; C418-E486 WeakPolarHBondContact CA-O 3.45Å; D419-E486 WeakPolarHBondContact CB-O 3.43Å; D419-E486 VanDerWaalsContact CG-O 3.26Å; D419-E486 PolarHBondContact N-O 2.95Å; D419-E486 VanDerWaalsContact OD2-CA 3.31Å; D419-E486 WeakPolarHBondContact OD2-CA 3.45Å; C482-E486 VanDerWaalsContact CA-OE2 3.25Å; C482-E486 WeakPolarHBondContact CA-OE2 3.43Å; C482-E486 HydrophobicContact CB-CB 4.14Å; G483-E486 PolarHBondContact N-OE2 3.42Å; G483-E486 WeakPolarHBondContact O-CB 3.35Å; G483-E486 PolarHBondContact O-N 3.33Å; H484-E486 PolarHBondContact O-N 3.47Å; E486-A488 PolarHBondContact O-N 3.43Å
487D98.5Very high95.2Very high0 Ų051.6 Ų51.60%028%0.276CS..BIsolated β-bridgetrans-69.9123.7178-72.9-29.3000111.4R405 T416 V417 A446 G451 H484R405-D487 HydrophobicContact CG-CB 4.08Å; T416-D487 WeakPolarHBondContact CB-OD1 3.47Å; T416-D487 PolarHBondContact OG1-OD1 3.42Å; V417-D487 CarbonylContact O-C 3.53Å; V417-D487 WeakPolarHBondContact O-CA 3.5Å; A446-D487 VanDerWaalsContact CA-O 3.27Å; A446-D487 WeakPolarHBondContact CA-O 3.32Å; A446-D487 HydrophobicContact CB-CB 4.2Å; A446-D487 PolarHBondContact N-O 3.49Å; A446-D487 VanDerWaalsContact N-O 3.15Å; G451-D487 WeakPolarHBondContact CA-OD2 3.39Å; G451-D487 PolarHBondContact N-OD2 3.42Å; H484-D487 IonicContact CG-OD2 2.75Å; H484-D487 IonicContact ND1-OD1 3.46Å; H484-D487 PolarHBondContact ND1-OD1 2.92Å; H484-D487 VanDerWaalsContact ND1-OD1 3.07Å; H484-D487 IonicContact ND1-OD2 3.48Å; H484-D487 PolarHBondContact ND1-OD2 3.39Å; H484-D487 PolarHBondContact O-N 2.9Å
488A98.6Very high95.2Very high0 Ų049.9 Ų49.90%027%0.274CS..  trans-68.5148.517900000113.3V406 V417 D419 W422 E486V406-A488 PolarHBondContact N-O 2.89Å; V417-A488 HydrophobicContact CB-CB 4.29Å; V417-A488 HydrophobicContact CG1-CB 4.28Å; V417-A488 WeakPolarHBondContact O-CB 3.5Å; V417-A488 PolarHBondContact O-N 2.96Å; D419-A488 HydrophobicContact CB-CB 4.17Å; W422-A488 HydrophobicContact CB-CB 4.39Å; W422-A488 HydrophobicContact CD2-CB 3.56Å; W422-A488 HydrophobicContact CE3-CB 4.05Å; W422-A488 HydrophobicContact CG-CB 3.7Å; W422-A488 HydrophobicContact CZ2-CB 4.25Å; E486-A488 PolarHBondContact O-N 3.43Å
489S98.3Very high95.2Very high0 Ų051.2 Ų51.20%027%0.273CS..EExtended strand (participates in β ladder)trans-145.8155-172-73.20000111.4G404 R405 W422 V442 Y443G404-S489 WeakPolarHBondContact O-CA 3.3Å; R405-S489 WeakPolarHBondContact CA-OG 3.42Å; W422-S489 PolarHBondContact NE1-O 3.23Å; V442-S489 WeakPolarHBondContact CA-O 3.37Å; Y443-S489 PolarHBondContact N-O 2.89Å; Y443-S489 PolarHBondContact O-N 2.87Å; Y443-S489 VanDerWaalsContact O-N 3.09Å
490V98.3Very high95.2Very high0 Ų049 Ų490%026%0.257CS..EExtended strand (participates in β ladder)trans-139.4153.7179.3-56.60000112.1L395 E403 G404 V406 W422 V430 V442L395-V490 HydrophobicContact CD1-CG2 3.86Å; L395-V490 HydrophobicContact CD2-CG2 3.55Å; L395-V490 HydrophobicContact CG-CG2 4.38Å; E403-V490 CarbonylContact C-O 3.49Å; E403-V490 VanDerWaalsContact CA-O 3.26Å; E403-V490 WeakPolarHBondContact CA-O 3.48Å; G404-V490 PolarHBondContact N-O 2.87Å; G404-V490 PolarHBondContact O-N 3.1Å; V406-V490 HydrophobicContact CG2-CG1 3.87Å; V406-V490 HydrophobicContact CG2-CG2 4.03Å; W422-V490 HydrophobicContact CZ2-CG1 3.61Å; V430-V490 HydrophobicContact CG1-CG2 4.05Å; V442-V490 HydrophobicContact CG1-CG1 4.15Å
491T98.3Very high95.1Very high8 Ų848.9 Ų48.95%0.04925%0.254CS..EExtended strand (participates in β ladder)trans-122.6127159.7-64.60000108.2H402 E403 V439 E440 E441H402-T491 CarbonylContact O-C 3.56Å; H402-T491 WeakPolarHBondContact O-CA 3.43Å; E403-T491 HydrophobicContact CB-CG2 4.14Å; E403-T491 WeakPolarHBondContact CB-OG1 3.3Å; V439-T491 WeakPolarHBondContact CG2-O 3.35Å; E440-T491 HydrophobicContact CB-CG2 4.33Å; E440-T491 WeakPolarHBondContact CB-O 3.37Å; E440-T491 PolarHBondContact N-O 3.48Å; E441-T491 PolarHBondContact N-O 3.43Å; E441-T491 VanDerWaalsContact N-O 3.14Å; E441-T491 PolarHBondContact O-N 2.77Å
492C98.1Very high95Very high0 Ų043.9 Ų43.90%023%0.227CC..EExtended strand (participates in β ladder)trans-102.3146.5-176.1-55.50000111.1H402 C431 F436 R494H402-C492 HydrophobicContact CB-CB 4.33Å; H402-C492 WeakPolarHBondContact O-CB 3.43Å; H402-C492 PolarHBondContact O-N 3.27Å; C431-C492 WeakPolarHBondContact CA-SG 3.33Å; C431-C492 HydrophobicContact CB-CB 3.71Å; C431-C492 WeakPolarHBondContact CB-SG 3.42Å; C431-C492 WeakPolarHBondContact SG-CA 3.42Å; C431-C492 WeakPolarHBondContact SG-CB 3.24Å; C431-C492 CovalentContact SG-SG 2.04Å; C431-C492 PolarHBondContact SG-SG 3.16Å; F436-C492 HydrophobicContact CB-CB 3.77Å; F436-C492 HydrophobicContact CD1-CB 4.35Å; F436-C492 HydrophobicContact CD2-CB 3.73Å; F436-C492 HydrophobicContact CE2-CB 4.45Å; F436-C492 HydrophobicContact CG-CB 3.68Å; C492-R494 PolarHBondContact O-N 2.86Å
493N95.3Very high94.8Very high65 Ų6545.9 Ų45.935%0.34824%0.235SC..PPolyproline II helixtrans-64.6126.5172.9-71.6-56.2000110.3R437 G438 V439R437-N493 HydrophobicContact CB-CB 4.47Å; G438-N493 PolarHBondContact O-N 3.23Å; V439-N493 PolarHBondContact O-ND2 3.37Å; V439-N493 VanDerWaalsContact O-ND2 3.12Å
494R85.8Confident94.6Very high175 Ų17546.9 Ų46.966%0.6623%0.225SC*.PPolyproline II helixtrans-64.5154.7175.2-60.9-178.4-173.21675.2110.8H402 C492H402-R494 PolarHBondContact CE1-NE 3.24Å; H402-R494 PolarHBondContact CE1-NH2 3.14Å; H402-R494 VanDerWaalsContact NE2-CZ 3.34Å; H402-R494 PolarHBondContact NE2-NE 3.31Å; H402-R494 PolarHBondContact NE2-NH2 3.48Å; C492-R494 PolarHBondContact O-N 2.86Å
495H69.9Low94.3Very high163 Ų16347.8 Ų47.876%0.75523%0.23SC*.  trans-61.10179.1-79.1-68.5000113.6G435 R437G435-H495 PolarHBondContact O-CE1 2.81Å; G435-H495 PolarHBondContact O-NE2 3.42Å; R437-H495 VanDerWaalsContact CZ-OXT 3.3Å; R437-H495 PolarHBondContact NE-OXT 2.85Å; R437-H495 PolarHBondContact NH2-OXT 3.45Å

Retrieved 495 of 495 residues in 88.4 ms (Link to these results)