A0A060KPZ4_PANTA Loading...

GrpE protein homolog

Essential component of the PAM complex, a complex required for the translocation of transit peptide-containing proteins from the inner membrane into the mitochondrial matrix in an ATP-dependent manner. Seems to control the nucleotide-dependent binding of mitochondrial HSP70 to substrate proteins. Stimulates ATPase activity of mt-HSP70. May also serve to modulate the interconversion of oligomeric (inactive) and monomeric (active) forms of mt-HSP70.

AlphaFold DB , UniProt , Accession A0A060KPZ4, Species PANTA (Panthera tigris altaica, Siberian tiger), Gene GRPEL2, Length 225 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
1M48.6Very low48.2Very low253 Ų253149.1 Ų149.1100%1.24677%0.766SS**  078.20-74.1-177.2-179.700110.4
2A48.7Very low47.9Very low92 Ų92146.9 Ų146.976%0.7676%0.756SS**  trans-149.529.8174.200000112
3A49.8Very low47.5Very low100 Ų100143.2 Ų143.283%0.82674%0.744SS**  trans-107.244178.800000111.1
4R51.8Low47.1Very low232 Ų232144.2 Ų144.288%0.87574%0.743SS**SBendtrans-127.2-1.9179.5-63.5-175.785.1178.35.1114.4
5S54.1Low46.5Very low85 Ų85147 Ų14759%0.59474%0.741SS**SBendtrans-97.6-10.3-176.5430000114.8
6V48.1Very low46Very low112 Ų112146.8 Ų146.868%0.67974%0.741SS**SBendtrans-89.2-17.7179.8-177.20000112.7
7W40.9Very low45.6Very low220 Ų220147.5 Ų147.583%0.83375%0.746SS**THydrogen-bonded Turntrans-86-16.6178.4-112.462.6000114.3
8A49.4Very low45.1Very low71 Ų71144.1 Ų144.159%0.58775%0.745SS**THydrogen-bonded Turntrans-83.1-28-177.700000113.3
9V46.7Very low44.8Very low103 Ų103142.4 Ų142.462%0.62475%0.747SS**THydrogen-bonded Turntrans-88.8-27-177.6-176.50000112.1R11 L12V9-R11 VanDerWaalsContact C-N 3.29Å; V9-R11 PolarHBondContact O-N 3.22Å; V9-L12 PolarHBondContact O-N 3.01Å
10R47.3Very low44.3Very low202 Ų202141.5 Ų141.576%0.76275%0.753SS**Hα-helixtrans-72.2-18.5175.3-112175.9158.9173.1-6.3114.1
11R44.6Very low44.1Very low170 Ų170139.6 Ų139.664%0.64276%0.757SS**Hα-helixtrans-87.8-12.7178.7-143.2176.7-168.4-167.93.5113.8V9V9-R11 VanDerWaalsContact C-N 3.29Å; V9-R11 PolarHBondContact O-N 3.22Å
12L44.2Very low43.4Very low123 Ų123132.4 Ų132.464%0.64474%0.738SS**Hα-helixtrans-89.1-30.1178.5-150.879.5000112.1V9V9-L12 PolarHBondContact O-N 3.01Å
13V43.2Very low42.7Very low98 Ų98134 Ų13459%0.59474%0.743SS**Hα-helixtrans-81.9-23.8-179.7-179.80000112.8
14Q42Very low41.9Very low158 Ų158138.7 Ų138.774%0.73875%0.748SS**SBendtrans-84.8-5.8172.2-84.7175.7-24.200114.5
15R38.8Very low40.9Very low186 Ų186130.7 Ų130.770%0.70274%0.737SS**SBendtrans-97.2-10.1175-82.4-177.7169.7-176.1-4.5114.2
16L37.7Very low39.9Very low143 Ų143138.9 Ų138.975%0.74976%0.755SS**SBendtrans-94.6-5.1176.6-84.4156.3000113.9
17L39.1Very low39Very low159 Ų159136.7 Ų136.783%0.83276%0.756SS**SBendtrans-108.38.1175.7-78.5164000113.9
18A37.1Very low38.5Very low87 Ų87137.2 Ų137.272%0.71976%0.757SS**SBendtrans-127.533.3-177.700000113.4
19S38.4Very low37.8Very low111 Ų111141.7 Ų141.778%0.77677%0.771SS**  trans-140.350.3176.8-171.70000112.8
20S36.3Very low37.6Very low125 Ų125145.2 Ų145.287%0.87478%0.78SS**  trans-140.938.3168.6-173.70000112.6
21A38.5Very low37.5Very low101 Ų101139.8 Ų139.884%0.83577%0.771SS**  trans-131.985.2171.100000108.7
22A35.1Very low36.9Very low102 Ų102140.7 Ų140.784%0.84378%0.78SS**  trans166.595156.200000109.9
23S34Very low36.5Very low125 Ų125140.7 Ų140.787%0.87479%0.79SS**  trans-159.497.7137.859.60000109
24E32.4Very low36.5Very low200 Ų200142.2 Ų142.294%0.93580%0.8SS**  trans-72143.6157.2-74.8160.713000109.3
25G30.9Very low36.5Very low63 Ų63139 Ų13965%0.64980%0.801SS**  trans150106.5153.100000117.7
26R33.8Very low36.5Very low258 Ų258136.4 Ų136.497%0.97481%0.806SS**  trans84.9125.6158.5-60.5179.5-96.3-105.61.9115.4
27G28.7Very low36.7Very low66 Ų66138.8 Ų138.868%0.6881%0.813SS**  cis176.31456.400000104.2
28W30.5Very low36.6Very low230 Ų230142.2 Ų142.287%0.87182%0.815SS**  -148.4132.864.3-75.7-9.2000110.2
29L34.3Very low36.6Very low165 Ų165145 Ų14586%0.86482%0.823SS**  trans-100.4118.5160.7-68.4168000106.4P31L29-P31 WeakPolarHBondContact O-CD 3.45Å
30H43.4Very low36.5Very low177 Ų177144.6 Ų144.682%0.81983%0.827SS**  trans-91.4111.3151.4-80.8-69.1000107.7
31P44.4Very low36.4Very low89 Ų89141.8 Ų141.858%0.57882%0.817SS**  trans-120.2157.9149.133.5-19.8000110L29L29-P31 WeakPolarHBondContact O-CD 3.45Å
32F31Very low36.3Very low188 Ų188146.3 Ų146.383%0.82582%0.821SS**  trans86.397.8176.4-62.3-84.2000116.6
33S36Very low36.5Very low123 Ų123149 Ų14986%0.8682%0.821SS**  -151.378122.3-148.50000110.5
34T44.2Very low36.6Very low131 Ų131149 Ų14980%0.80482%0.82SS**  trans-101.899.4155.414.90000106.6
35A40.8Very low36.9Very low91 Ų91145.4 Ų145.475%0.75282%0.817SS**  trans-13493.8165.400000108.3Q37A35-Q37 PolarHBondContact O-N 2.93Å
36T39.8Very low37.4Very low131 Ų131146.8 Ų146.880%0.80482%0.817SS**  trans-66.2115.7159.8-55.20000108.2
37Q42.9Very low37.7Very low192 Ų192143.6 Ų143.690%0.89781%0.813SS**  trans-130109.8154.9-110.4176.2-0.300108.2A35A35-Q37 PolarHBondContact O-N 2.93Å
38R36.5Very low38.5Very low231 Ų231147 Ų14787%0.87282%0.816SS**  trans-79.8129.1162.5-76.1178172.8160.8-2.9107.7
39T37Very low39.4Very low145 Ų145141 Ų14189%0.8981%0.806SS**  trans-140.9138.3140.747.30000108.2
40A35.4Very low40Very low104 Ų104139.1 Ų139.186%0.8680%0.804SS**  trans-79.9149.9-169.800000112.9
41G35.5Very low40.1Very low66 Ų66137.2 Ų137.268%0.6880%0.8SS**  trans74.2110.7137.700000118
42E35.3Very low40.5Very low196 Ų196140.2 Ų140.292%0.91681%0.811SS**  -169.3127.4121.4-103152.416600110.7
43D40.3Very low41.7Very low158 Ų158137.8 Ų137.885%0.84581%0.806SS**  trans-62.6130.2174.5-64.7-56.5000110.7
44C34.7Very low42.8Very low126 Ų126133.8 Ų133.885%0.85178%0.784SS**  trans-150.7100.1155.8-94.10000108.8S46C44-S46 PolarHBondContact O-N 3.23Å
45S39.3Very low43.6Very low124 Ų124130 Ų13087%0.86776%0.761SS**  trans-58.7115.5163.5-50.70000109.7
46S40.6Very low45.2Very low92 Ų92128.9 Ų128.964%0.64375%0.748SS**  trans-129101.5151.455.50000106.8C44 D48C44-S46 PolarHBondContact O-N 3.23Å; S46-D48 PolarHBondContact O-N 2.8Å
47E40.1Very low46.9Very low191 Ų191129.4 Ų129.489%0.89375%0.745SS**  trans-63.2100.1165.4-64.3-165.515300107.9
48D45.8Very low48.7Very low138 Ų138123 Ų12374%0.73873%0.725SS**  trans-77.8129.2163.5-71.5-39.4000108.1S46S46-D48 PolarHBondContact O-N 2.8Å
49P50.7Low50.8Low102 Ų102116.7 Ų116.766%0.66271%0.705SS**  trans-66.5155-179.529.9-34.1000110.1D51P49-D51 PolarHBondContact O-N 2.96Å
50P46.2Very low53.1Low126 Ų126115.6 Ų115.682%0.81869%0.685SS**  trans-67107.3175.428.3-31.7000108.7D52P50-D52 PolarHBondContact O-N 3.3Å
51D45.2Very low55.5Low138 Ų138112.7 Ų112.774%0.73866%0.661SS**  trans-6483.6160.8-100.7-19.2000108P49 L53P49-D51 PolarHBondContact O-N 2.96Å; D51-L53 PolarHBondContact O-N 3.06Å
52D53.6Low58.1Low151 Ų151115 Ų11581%0.80766%0.657SS**  trans-73.756.3159.2-170.931.7000109.2P50 G54P50-D52 PolarHBondContact O-N 3.3Å; D52-G54 VanDerWaalsContact C-N 3.32Å; D52-G54 PolarHBondContact O-N 3.5Å
53L55Low60.7Low138 Ų138111.6 Ų111.672%0.72364%0.639SS**  trans-8784.8163.4-69176.6000106.2D51D51-L53 PolarHBondContact O-N 3.06Å
54G60.5Low63.1Low39 Ų39109.6 Ų109.640%0.40263%0.628SS.*  trans-43.2146.5169.900000110.6D52 S56D52-G54 VanDerWaalsContact C-N 3.32Å; D52-G54 PolarHBondContact O-N 3.5Å; G54-S56 PolarHBondContact O-N 2.95Å
55P59.6Low65.9Low51 Ų51109.8 Ų109.833%0.33161%0.614SS.*  trans-49.1128-1599.9-24.9000111.6E59 R60P55-E59 HydrophobicContact CB-CB 4.33Å; P55-E59 WeakPolarHBondContact CB-OE2 3.05Å; P55-R60 HydrophobicContact CB-CG 4.12Å; P55-R60 HydrophobicContact CG-CG 4.19Å; P55-R60 PolarHBondContact O-NE 3.1Å
56S75.4Confident68.4Low67 Ų67105.9 Ų105.947%0.46959%0.59SS.*  trans-46142.5180162.70000110.2G54 A58 E59 R60G54-S56 PolarHBondContact O-N 2.95Å; S56-A58 PolarHBondContact O-N 3.3Å; S56-A58 PolarHBondContact OG-N 2.98Å; S56-E59 WeakPolarHBondContact O-CA 3.17Å; S56-E59 WeakPolarHBondContact O-CB 3.18Å; S56-E59 PolarHBondContact O-N 2.84Å; S56-R60 PolarHBondContact O-N 2.91Å; S56-R60 VanDerWaalsContact O-N 3.09Å
57L75.8Confident71Confident142 Ų142104.6 Ų104.674%0.74358%0.578SS**Hα-helixtrans-51.6-30.7179.5-67.1175.5000112A61L57-A61 WeakPolarHBondContact O-CB 3.49Å; L57-A61 PolarHBondContact O-N 3.28Å
58A80.3Confident73.6Confident58 Ų58102 Ų10248%0.47956%0.564SS.*Hα-helixtrans-65.5-44.1173.500000112.9S56 A61 L62S56-A58 PolarHBondContact O-N 3.3Å; S56-A58 PolarHBondContact OG-N 2.98Å; A58-A61 PolarHBondContact O-N 2.91Å; A58-L62 VanDerWaalsContact O-CG 3.3Å; A58-L62 WeakPolarHBondContact O-CG 3.44Å; A58-L62 PolarHBondContact O-N 3.23Å
59E81.1Confident75.9Confident98 Ų98100.4 Ų100.446%0.45856%0.555SS.*Hα-helixtrans-66.2-38.9177.5-65.1177-175.300112P55 S56 L62 K63P55-E59 HydrophobicContact CB-CB 4.33Å; P55-E59 WeakPolarHBondContact CB-OE2 3.05Å; S56-E59 WeakPolarHBondContact O-CA 3.17Å; S56-E59 WeakPolarHBondContact O-CB 3.18Å; S56-E59 PolarHBondContact O-N 2.84Å; E59-L62 PolarHBondContact O-N 3.32Å; E59-K63 WeakPolarHBondContact O-CB 3.09Å; E59-K63 VanDerWaalsContact O-CG 3.25Å; E59-K63 WeakPolarHBondContact O-CG 3.45Å; E59-K63 PolarHBondContact O-N 2.93Å
60R83.8Confident78Confident123 Ų123101 Ų10146%0.46455%0.548SS..Hα-helixtrans-63.8-42.9174-64.8179-172.6177.9-2.1110.9P55 S56 K63 L64P55-R60 HydrophobicContact CB-CG 4.12Å; P55-R60 HydrophobicContact CG-CG 4.19Å; P55-R60 PolarHBondContact O-NE 3.1Å; S56-R60 PolarHBondContact O-N 2.91Å; S56-R60 VanDerWaalsContact O-N 3.09Å; R60-K63 PolarHBondContact O-N 3.39Å; R60-L64 VanDerWaalsContact O-CG 3.3Å; R60-L64 WeakPolarHBondContact O-CG 3.33Å; R60-L64 PolarHBondContact O-N 3.37Å
61A86.9Confident80.4Confident43 Ų43100.9 Ų100.936%0.35554%0.535SS..Hα-helixtrans-64.5-38.7176.300000112.7L57 A58 L64 K65L57-A61 WeakPolarHBondContact O-CB 3.49Å; L57-A61 PolarHBondContact O-N 3.28Å; A58-A61 PolarHBondContact O-N 2.91Å; A61-L64 PolarHBondContact O-N 2.86Å; A61-K65 WeakPolarHBondContact O-CG 3.38Å; A61-K65 PolarHBondContact O-N 2.9Å; A61-K65 VanDerWaalsContact O-N 3.08Å
62L88.9Confident82.8Confident114 Ų11499.5 Ų99.560%0.59752%0.524SS*.Hα-helixtrans-66.7-44.3175.1-72172.8000111.9A58 E59 L64 K65 A66A58-L62 VanDerWaalsContact O-CG 3.3Å; A58-L62 WeakPolarHBondContact O-CG 3.44Å; A58-L62 PolarHBondContact O-N 3.23Å; E59-L62 PolarHBondContact O-N 3.32Å; L62-L64 VanDerWaalsContact C-N 3.32Å; L62-L64 PolarHBondContact O-N 2.63Å; L62-K65 PolarHBondContact O-N 2.79Å; L62-K65 VanDerWaalsContact O-N 3.16Å; L62-A66 PolarHBondContact O-N 3.42Å
63K90.4Very high84.8Confident124 Ų12496.5 Ų96.554%0.53951%0.511SS..Hα-helixtrans-59.7-41.5174.9-72.9170.7-177.1174.20111.8E59 R60 K65 A66 V67E59-K63 WeakPolarHBondContact O-CB 3.09Å; E59-K63 VanDerWaalsContact O-CG 3.25Å; E59-K63 WeakPolarHBondContact O-CG 3.45Å; E59-K63 PolarHBondContact O-N 2.93Å; R60-K63 PolarHBondContact O-N 3.39Å; K63-K65 PolarHBondContact O-N 3.06Å; K63-A66 PolarHBondContact O-N 2.93Å; K63-V67 WeakPolarHBondContact O-CG2 3.06Å; K63-V67 PolarHBondContact O-N 2.97Å
64L91.4Very high86.8Confident116 Ų11695.7 Ų95.761%0.60750%0.503SS*.Hα-helixtrans-64.7-37.4175.4-71.9172.6000112.8R60 A61 L62 K68R60-L64 VanDerWaalsContact O-CG 3.3Å; R60-L64 WeakPolarHBondContact O-CG 3.33Å; R60-L64 PolarHBondContact O-N 3.37Å; A61-L64 PolarHBondContact O-N 2.86Å; L62-L64 VanDerWaalsContact C-N 3.32Å; L62-L64 PolarHBondContact O-N 2.63Å; L64-K68 WeakPolarHBondContact O-CG 3.42Å; L64-K68 PolarHBondContact O-N 3.02Å
65K92.6Very high88.5Confident130 Ų13097.5 Ų97.557%0.56550%0.504SS*.Hα-helixtrans-68.5-42174.7-72.5175.6-177.5-179.70111.7A61 L62 K63 K68 L69A61-K65 WeakPolarHBondContact O-CG 3.38Å; A61-K65 PolarHBondContact O-N 2.9Å; A61-K65 VanDerWaalsContact O-N 3.08Å; L62-K65 PolarHBondContact O-N 2.79Å; L62-K65 VanDerWaalsContact O-N 3.16Å; K63-K65 PolarHBondContact O-N 3.06Å; K65-K68 PolarHBondContact O-N 3.44Å; K65-L69 WeakPolarHBondContact O-CG 3.1Å; K65-L69 PolarHBondContact O-N 3.45Å
66A92.7Very high90.3Very high42 Ų42100.4 Ų100.435%0.34752%0.516SS..Hα-helixtrans-58.1-49.3176.200000111.3L62 K63 K68 L69 E70L62-A66 PolarHBondContact O-N 3.42Å; K63-A66 PolarHBondContact O-N 2.93Å; A66-K68 VanDerWaalsContact C-N 3.3Å; A66-K68 PolarHBondContact O-N 3.39Å; A66-L69 PolarHBondContact O-N 3.11Å; A66-E70 WeakPolarHBondContact O-CB 3.42Å; A66-E70 VanDerWaalsContact O-CG 3.32Å; A66-E70 WeakPolarHBondContact O-CG 3.42Å; A66-E70 PolarHBondContact O-N 2.92Å
67V94.7Very high91.3Very high66 Ų66100.4 Ų100.440%0.451%0.513SS..Hα-helixtrans-61.9-35.8177.7172.80000112.4K63 K71K63-V67 WeakPolarHBondContact O-CG2 3.06Å; K63-V67 PolarHBondContact O-N 2.97Å; V67-K71 HydrophobicContact CG1-CD 4.41Å; V67-K71 VanDerWaalsContact O-CG 3.29Å; V67-K71 WeakPolarHBondContact O-CG 3.38Å; V67-K71 PolarHBondContact O-N 2.71Å; V67-K71 VanDerWaalsContact O-N 3.17Å
68K94.8Very high92.3Very high136 Ų13698.8 Ų98.859%0.59150%0.503SS*.Hα-helixtrans-66.6-47.5175.4-75176.1-178.7-173.60111.6L64 K65 A66 E70 K71 E72L64-K68 WeakPolarHBondContact O-CG 3.42Å; L64-K68 PolarHBondContact O-N 3.02Å; K65-K68 PolarHBondContact O-N 3.44Å; A66-K68 VanDerWaalsContact C-N 3.3Å; A66-K68 PolarHBondContact O-N 3.39Å; K68-E70 VanDerWaalsContact C-N 3.35Å; K68-E70 PolarHBondContact O-N 3.35Å; K68-K71 PolarHBondContact O-N 3.2Å; K68-E72 WeakPolarHBondContact O-CG 3.33Å; K68-E72 PolarHBondContact O-N 2.65Å
69L94.7Very high93.1Very high105 Ų105104.1 Ų104.155%0.5551%0.511SS..Hα-helixtrans-63.8-39.8178.5-70.1171.2000111.8K65 A66 K71 E72 V73K65-L69 WeakPolarHBondContact O-CG 3.1Å; K65-L69 PolarHBondContact O-N 3.45Å; A66-L69 PolarHBondContact O-N 3.11Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.45Å; L69-E72 PolarHBondContact O-N 2.85Å; L69-V73 VanDerWaalsContact O-CG2 3.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.39Å; L69-V73 PolarHBondContact O-N 3.3Å
70E95.1Very high93.8Very high113 Ų113107.4 Ų107.453%0.52852%0.52SS..Hα-helixtrans-60.5-42.3174.8-75.3170-174.300111.8A66 K68 V73 Q74A66-E70 WeakPolarHBondContact O-CB 3.42Å; A66-E70 VanDerWaalsContact O-CG 3.32Å; A66-E70 WeakPolarHBondContact O-CG 3.42Å; A66-E70 PolarHBondContact O-N 2.92Å; K68-E70 VanDerWaalsContact C-N 3.35Å; K68-E70 PolarHBondContact O-N 3.35Å; E70-V73 PolarHBondContact O-N 2.85Å; E70-Q74 WeakPolarHBondContact O-CB 3.4Å; E70-Q74 VanDerWaalsContact O-CG 3.26Å; E70-Q74 WeakPolarHBondContact O-CG 3.4Å; E70-Q74 PolarHBondContact O-N 3.25Å
71K96.1Very high94.5Very high125 Ų125108 Ų10854%0.54353%0.528SS..Hα-helixtrans-64.1-44174.7-73174.3-178.7-175.50112V67 K68 L69 V73 Q74 D75V67-K71 HydrophobicContact CG1-CD 4.41Å; V67-K71 VanDerWaalsContact O-CG 3.29Å; V67-K71 WeakPolarHBondContact O-CG 3.38Å; V67-K71 PolarHBondContact O-N 2.71Å; V67-K71 VanDerWaalsContact O-N 3.17Å; K68-K71 PolarHBondContact O-N 3.2Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.45Å; K71-V73 VanDerWaalsContact C-N 3.33Å; K71-V73 PolarHBondContact O-N 2.92Å; K71-Q74 PolarHBondContact O-N 3.04Å; K71-D75 PolarHBondContact O-N 3.2Å
72E95.4Very high94.9Very high109 Ų109113.7 Ų113.751%0.50954%0.541SS..Hα-helixtrans-61.7-41.7176.5-72.1172.7-167.200111.7K68 L69 D75 L76K68-E72 WeakPolarHBondContact O-CG 3.33Å; K68-E72 PolarHBondContact O-N 2.65Å; L69-E72 PolarHBondContact O-N 2.85Å; E72-D75 PolarHBondContact O-N 3.46Å; E72-L76 WeakPolarHBondContact O-CB 3.35Å; E72-L76 WeakPolarHBondContact O-CG 3.31Å; E72-L76 PolarHBondContact O-N 2.85Å
73V96.3Very high95.4Very high87 Ų87111.1 Ų111.153%0.52754%0.536SS..Hα-helixtrans-64-41.7175171.10000111L69 E70 K71 L76 T77L69-V73 VanDerWaalsContact O-CG2 3.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.39Å; L69-V73 PolarHBondContact O-N 3.3Å; E70-V73 PolarHBondContact O-N 2.85Å; K71-V73 VanDerWaalsContact C-N 3.33Å; K71-V73 PolarHBondContact O-N 2.92Å; V73-L76 PolarHBondContact O-N 2.68Å; V73-T77 HydrophobicContact CG1-CG2 4.25Å; V73-T77 WeakPolarHBondContact O-CB 3.09Å; V73-T77 VanDerWaalsContact O-CG2 3.23Å; V73-T77 WeakPolarHBondContact O-CG2 3.27Å; V73-T77 PolarHBondContact O-N 3.01Å; V73-T77 PolarHBondContact O-OG1 3.39Å
74Q96.2Very high95.7Very high121 Ų121107.9 Ų107.957%0.56553%0.527SS*.Hα-helixtrans-62.9-43.5175.6-73.9173.416.500111.7E70 K71 T77 M78E70-Q74 WeakPolarHBondContact O-CB 3.4Å; E70-Q74 VanDerWaalsContact O-CG 3.26Å; E70-Q74 WeakPolarHBondContact O-CG 3.4Å; E70-Q74 PolarHBondContact O-N 3.25Å; K71-Q74 PolarHBondContact O-N 3.04Å; Q74-T77 WeakPolarHBondContact CA-OG1 3.49Å; Q74-T77 PolarHBondContact O-N 3.43Å; Q74-T77 PolarHBondContact O-OG1 3.43Å; Q74-M78 WeakPolarHBondContact O-CB 3.44Å; Q74-M78 PolarHBondContact O-N 3.14Å
75D96.4Very high96Very high78 Ų78104.4 Ų104.442%0.41752%0.515SS..Hα-helixtrans-64.6-43.4177.3-76.7-14000111.8K71 E72 M78 R79K71-D75 PolarHBondContact O-N 3.2Å; E72-D75 PolarHBondContact O-N 3.46Å; D75-M78 PolarHBondContact O-N 3.03Å; D75-R79 WeakPolarHBondContact O-CB 3.42Å; D75-R79 VanDerWaalsContact O-CG 3.23Å; D75-R79 WeakPolarHBondContact O-CG 3.34Å; D75-R79 PolarHBondContact O-N 3.43Å
76L96.9Very high96.2Very high112 Ų112102.1 Ų102.159%0.58651%0.508SS*.Hα-helixtrans-66.6-42.2178.2-71.9175.3000111.9E72 V73 R79 Y80E72-L76 WeakPolarHBondContact O-CB 3.35Å; E72-L76 WeakPolarHBondContact O-CG 3.31Å; E72-L76 PolarHBondContact O-N 2.85Å; V73-L76 PolarHBondContact O-N 2.68Å; L76-R79 PolarHBondContact O-N 3.42Å; L76-Y80 VanDerWaalsContact O-CB 3.28Å; L76-Y80 WeakPolarHBondContact O-CB 3.1Å; L76-Y80 PolarHBondContact O-N 3.42Å
77T96.9Very high96.5Very high66 Ų66101.9 Ų101.941%0.40551%0.51SS..Hα-helixtrans-65.6-40.2177.551.50000111.3V73 Q74 Y80 Q81V73-T77 HydrophobicContact CG1-CG2 4.25Å; V73-T77 WeakPolarHBondContact O-CB 3.09Å; V73-T77 VanDerWaalsContact O-CG2 3.23Å; V73-T77 WeakPolarHBondContact O-CG2 3.27Å; V73-T77 PolarHBondContact O-N 3.01Å; V73-T77 PolarHBondContact O-OG1 3.39Å; Q74-T77 WeakPolarHBondContact CA-OG1 3.49Å; Q74-T77 PolarHBondContact O-N 3.43Å; Q74-T77 PolarHBondContact O-OG1 3.43Å; T77-Y80 PolarHBondContact O-N 3.44Å; T77-Q81 WeakPolarHBondContact O-CB 3.49Å; T77-Q81 VanDerWaalsContact O-CG 3.29Å; T77-Q81 WeakPolarHBondContact O-CG 3.4Å; T77-Q81 PolarHBondContact O-N 3.41Å
78M96.6Very high96.6Very high108 Ų108103.4 Ų103.453%0.53251%0.513SS..Hα-helixtrans-62.1-45.8173.9-171.4-169.5-5400111.9Q74 D75 Y80 Q81 R82Q74-M78 WeakPolarHBondContact O-CB 3.44Å; Q74-M78 PolarHBondContact O-N 3.14Å; D75-M78 PolarHBondContact O-N 3.03Å; M78-Y80 VanDerWaalsContact C-N 3.33Å; M78-Y80 PolarHBondContact O-N 2.91Å; M78-Q81 PolarHBondContact O-N 3.03Å; M78-R82 WeakPolarHBondContact O-CB 3.47Å; M78-R82 PolarHBondContact O-N 3.43Å
79R96.5Very high96.8Very high170 Ų170101.6 Ų101.664%0.64251%0.51SS*.Hα-helixtrans-62.6-41.5176.2-72.1173.4-166.6-167.66.4111.6D75 L76 R82 A83D75-R79 WeakPolarHBondContact O-CB 3.42Å; D75-R79 VanDerWaalsContact O-CG 3.23Å; D75-R79 WeakPolarHBondContact O-CG 3.34Å; D75-R79 PolarHBondContact O-N 3.43Å; L76-R79 PolarHBondContact O-N 3.42Å; R79-R82 PolarHBondContact O-N 3.02Å; R79-A83 WeakPolarHBondContact O-CB 2.84Å; R79-A83 PolarHBondContact O-N 3.46Å
80Y97.6Very high96.9Very high167 Ų167101.6 Ų101.666%0.65551%0.509SS*.Hα-helixtrans-64.3-48.8177.9177.2-101.2000111.6L76 T77 M78 R82 A83 V84L76-Y80 VanDerWaalsContact O-CB 3.28Å; L76-Y80 WeakPolarHBondContact O-CB 3.1Å; L76-Y80 PolarHBondContact O-N 3.42Å; T77-Y80 PolarHBondContact O-N 3.44Å; M78-Y80 VanDerWaalsContact C-N 3.33Å; M78-Y80 PolarHBondContact O-N 2.91Å; Y80-R82 VanDerWaalsContact C-N 3.29Å; Y80-R82 PolarHBondContact O-N 3.26Å; Y80-A83 PolarHBondContact O-N 2.89Å; Y80-A83 VanDerWaalsContact O-N 3.12Å; Y80-V84 HydrophobicContact CD1-CG2 4.22Å; Y80-V84 HydrophobicContact CD2-CG2 4.42Å; Y80-V84 HydrophobicContact CE1-CG2 3.77Å; Y80-V84 HydrophobicContact CE2-CG2 3.99Å; Y80-V84 WeakPolarHBondContact O-CG2 3.35Å; Y80-V84 PolarHBondContact O-N 3.35Å
81Q96.6Very high97Very high135 Ų135105.5 Ų105.563%0.63152%0.519SS*.Hα-helixtrans-59.5-41.6177.3-73.9175.71.100111.7T77 M78 V84 A85T77-Q81 WeakPolarHBondContact O-CB 3.49Å; T77-Q81 VanDerWaalsContact O-CG 3.29Å; T77-Q81 WeakPolarHBondContact O-CG 3.4Å; T77-Q81 PolarHBondContact O-N 3.41Å; M78-Q81 PolarHBondContact O-N 3.03Å; Q81-V84 PolarHBondContact O-N 2.91Å; Q81-A85 WeakPolarHBondContact O-CB 3.19Å; Q81-A85 PolarHBondContact O-N 2.9Å
82R97.1Very high97.1Very high163 Ų163106.4 Ų106.462%0.61552%0.519SS*.Hα-helixtrans-61.6-47.3173.2-176.7177.9-68171.1-0.4111.6M78 R79 Y80 V84 A85 D86M78-R82 WeakPolarHBondContact O-CB 3.47Å; M78-R82 PolarHBondContact O-N 3.43Å; R79-R82 PolarHBondContact O-N 3.02Å; Y80-R82 VanDerWaalsContact C-N 3.29Å; Y80-R82 PolarHBondContact O-N 3.26Å; R82-V84 VanDerWaalsContact C-N 3.31Å; R82-V84 PolarHBondContact O-N 3.36Å; R82-A85 PolarHBondContact O-N 3.41Å; R82-D86 WeakPolarHBondContact O-CB 3.28Å; R82-D86 VanDerWaalsContact O-CG 3.29Å; R82-D86 PolarHBondContact O-N 2.88Å
83A97.5Very high97.2Very high60 Ų60110 Ų11050%0.49653%0.528SS..Hα-helixtrans-61-39.4179.100000112.5R79 Y80 G87R79-A83 WeakPolarHBondContact O-CB 2.84Å; R79-A83 PolarHBondContact O-N 3.46Å; Y80-A83 PolarHBondContact O-N 2.89Å; Y80-A83 VanDerWaalsContact O-N 3.12Å; A83-G87 PolarHBondContact O-N 2.95Å
84V97.8Very high97.3Very high57 Ų57109.3 Ų109.335%0.34552%0.524SS..Hα-helixtrans-64.2-47.1174.7172.80000110.6Y80 Q81 R82 D86 G87 E88Y80-V84 HydrophobicContact CD1-CG2 4.22Å; Y80-V84 HydrophobicContact CD2-CG2 4.42Å; Y80-V84 HydrophobicContact CE1-CG2 3.77Å; Y80-V84 HydrophobicContact CE2-CG2 3.99Å; Y80-V84 WeakPolarHBondContact O-CG2 3.35Å; Y80-V84 PolarHBondContact O-N 3.35Å; Q81-V84 PolarHBondContact O-N 2.91Å; R82-V84 VanDerWaalsContact C-N 3.31Å; R82-V84 PolarHBondContact O-N 3.36Å; V84-D86 PolarHBondContact O-N 2.95Å; V84-G87 PolarHBondContact O-N 3.38Å; V84-E88 PolarHBondContact O-N 2.92Å
85A97.6Very high97.3Very high43 Ų43108.3 Ų108.336%0.35552%0.519SS..Hα-helixtrans-61.5-42.6177.700000112.3Q81 R82 E88 N89Q81-A85 WeakPolarHBondContact O-CB 3.19Å; Q81-A85 PolarHBondContact O-N 2.9Å; R82-A85 PolarHBondContact O-N 3.41Å; A85-E88 PolarHBondContact O-N 3.42Å; A85-N89 WeakPolarHBondContact O-CB 3.33Å; A85-N89 VanDerWaalsContact O-CG 3.28Å; A85-N89 PolarHBondContact O-N 2.93Å; A85-N89 PolarHBondContact O-ND2 3.43Å
86D97.5Very high97.4Very high81 Ų81112.1 Ų112.143%0.43353%0.528SS..Hα-helixtrans-64.2-40.5176.3-69.8-21.9000111.4R82 V84 E88 N89 I90R82-D86 WeakPolarHBondContact O-CB 3.28Å; R82-D86 VanDerWaalsContact O-CG 3.29Å; R82-D86 PolarHBondContact O-N 2.88Å; V84-D86 PolarHBondContact O-N 2.95Å; D86-E88 PolarHBondContact O-N 3.07Å; D86-N89 PolarHBondContact O-N 2.96Å; D86-I90 VanDerWaalsContact O-CG1 3.28Å; D86-I90 WeakPolarHBondContact O-CG1 3.38Å; D86-I90 PolarHBondContact O-N 3.37Å
87G98.1Very high97.3Very high38 Ų38110 Ų11039%0.39252%0.522SS..Hα-helixtrans-60.7-43.3174.300000112.8A83 V84 I90 R91A83-G87 PolarHBondContact O-N 2.95Å; V84-G87 PolarHBondContact O-N 3.38Å; G87-I90 PolarHBondContact O-N 2.96Å; G87-R91 WeakPolarHBondContact O-CB 3.36Å; G87-R91 PolarHBondContact O-N 3.33Å
88E97.3Very high97.4Very high97 Ų97110.2 Ų110.245%0.45352%0.523SS..Hα-helixtrans-65.3-41.6174.6-73.7-169.1-163.300112.5V84 A85 D86 R91 R92V84-E88 PolarHBondContact O-N 2.92Å; A85-E88 PolarHBondContact O-N 3.42Å; D86-E88 PolarHBondContact O-N 3.07Å; E88-R91 PolarHBondContact O-N 2.6Å; E88-R92 WeakPolarHBondContact O-CG 3.33Å; E88-R92 PolarHBondContact O-N 3.26Å; E88-R92 IonicContact OE2-NH2 3.35Å; E88-R92 PolarHBondContact OE2-NH2 3.41Å
89N97.8Very high97.3Very high98 Ų98109.1 Ų109.152%0.52452%0.516SS..Hα-helixtrans-61.8-44.4177-75.1-27.8000111.5A85 D86 R92 R93A85-N89 WeakPolarHBondContact O-CB 3.33Å; A85-N89 VanDerWaalsContact O-CG 3.28Å; A85-N89 PolarHBondContact O-N 2.93Å; A85-N89 PolarHBondContact O-ND2 3.43Å; D86-N89 PolarHBondContact O-N 2.96Å; N89-R92 PolarHBondContact O-N 2.57Å; N89-R93 VanDerWaalsContact O-CB 3.3Å; N89-R93 WeakPolarHBondContact O-CB 3.49Å; N89-R93 PolarHBondContact O-N 2.86Å
90I98.1Very high97.3Very high106 Ų106104.9 Ų104.954%0.54451%0.506SS..Hα-helixtrans-63.6-45.1175.4-68.3165.2000110.3D86 G87 R92 R93 T94D86-I90 VanDerWaalsContact O-CG1 3.28Å; D86-I90 WeakPolarHBondContact O-CG1 3.38Å; D86-I90 PolarHBondContact O-N 3.37Å; G87-I90 PolarHBondContact O-N 2.96Å; I90-R92 PolarHBondContact O-N 3.25Å; I90-R93 PolarHBondContact O-N 3.01Å; I90-T94 HydrophobicContact CG2-CG2 4.02Å; I90-T94 WeakPolarHBondContact O-CB 3.35Å; I90-T94 VanDerWaalsContact O-CG2 3.29Å; I90-T94 WeakPolarHBondContact O-CG2 3.42Å; I90-T94 PolarHBondContact O-N 3.12Å; I90-T94 PolarHBondContact O-OG1 3.18Å
91R97.8Very high97.3Very high195 Ų195100 Ų10074%0.73650%0.5SS*.Hα-helixtrans-59.1-46.7177.6-176.4178.7175.3140.60.2111.9G87 E88 T94 Q95G87-R91 WeakPolarHBondContact O-CB 3.36Å; G87-R91 PolarHBondContact O-N 3.33Å; E88-R91 PolarHBondContact O-N 2.6Å; R91-T94 WeakPolarHBondContact CA-OG1 3.44Å; R91-T94 PolarHBondContact O-OG1 2.84Å; R91-Q95 VanDerWaalsContact O-CB 3.31Å; R91-Q95 WeakPolarHBondContact O-CB 3.43Å; R91-Q95 PolarHBondContact O-N 3.34Å
92R97.5Very high97.1Very high144 Ų144100.8 Ų100.854%0.54350%0.502SS..Hα-helixtrans-64.6-40.9177.9-70.2177.7-169-175.78.6111.6E88 N89 I90 R96E88-R92 WeakPolarHBondContact O-CG 3.33Å; E88-R92 PolarHBondContact O-N 3.26Å; E88-R92 IonicContact OE2-NH2 3.35Å; E88-R92 PolarHBondContact OE2-NH2 3.41Å; N89-R92 PolarHBondContact O-N 2.57Å; I90-R92 PolarHBondContact O-N 3.25Å; R92-R96 WeakPolarHBondContact O-CG 3.23Å; R92-R96 PolarHBondContact O-N 3.42Å
93R97.3Very high96.9Very high185 Ų18598.2 Ų98.270%0.69850%0.499SS*.Hα-helixtrans-66.7-47.2178-176.3177.3-180172.70.6112.1N89 I90 Q95 R96 C97N89-R93 VanDerWaalsContact O-CB 3.3Å; N89-R93 WeakPolarHBondContact O-CB 3.49Å; N89-R93 PolarHBondContact O-N 2.86Å; I90-R93 PolarHBondContact O-N 3.01Å; R93-Q95 VanDerWaalsContact C-N 3.34Å; R93-Q95 PolarHBondContact O-N 3.18Å; R93-R96 PolarHBondContact O-N 3.02Å; R93-C97 PolarHBondContact O-N 2.81Å; R93-C97 PolarHBondContact O-SG 2.9Å
94T97.8Very high96.8Very high71 Ų71101.1 Ų101.144%0.43650%0.501SS..Hα-helixtrans-63.1-40.4178.948.40000111.6I90 R91 R96 C97 V98I90-T94 HydrophobicContact CG2-CG2 4.02Å; I90-T94 WeakPolarHBondContact O-CB 3.35Å; I90-T94 VanDerWaalsContact O-CG2 3.29Å; I90-T94 WeakPolarHBondContact O-CG2 3.42Å; I90-T94 PolarHBondContact O-N 3.12Å; I90-T94 PolarHBondContact O-OG1 3.18Å; R91-T94 WeakPolarHBondContact CA-OG1 3.44Å; R91-T94 PolarHBondContact O-OG1 2.84Å; T94-R96 VanDerWaalsContact C-N 3.34Å; T94-R96 PolarHBondContact O-N 2.89Å; T94-C97 PolarHBondContact O-N 3.43Å; T94-V98 WeakPolarHBondContact O-CG2 3.18Å; T94-V98 PolarHBondContact O-N 3.18Å
95Q97.1Very high96.5Very high100 Ų100100.8 Ų100.847%0.46751%0.509SS..Hα-helixtrans-57.3-46.7174.4-175.663.624.600111.7R91 R93 V98 E99R91-Q95 VanDerWaalsContact O-CB 3.31Å; R91-Q95 WeakPolarHBondContact O-CB 3.43Å; R91-Q95 PolarHBondContact O-N 3.34Å; R93-Q95 VanDerWaalsContact C-N 3.34Å; R93-Q95 PolarHBondContact O-N 3.18Å; Q95-V98 PolarHBondContact O-N 2.88Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.3Å; Q95-E99 PolarHBondContact NE2-OE1 3Å; Q95-E99 WeakPolarHBondContact O-CG 3.27Å; Q95-E99 PolarHBondContact O-N 2.88Å
96R97Very high96.4Very high159 Ų159103.7 Ų103.760%0.652%0.517SS*.Hα-helixtrans-61.6-45.8174.6-67.3174.6-165.5162.42.3111.8R92 R93 T94 V98 E99 D100R92-R96 WeakPolarHBondContact O-CG 3.23Å; R92-R96 PolarHBondContact O-N 3.42Å; R93-R96 PolarHBondContact O-N 3.02Å; T94-R96 VanDerWaalsContact C-N 3.34Å; T94-R96 PolarHBondContact O-N 2.89Å; R96-V98 VanDerWaalsContact C-N 3.27Å; R96-V98 PolarHBondContact O-N 2.95Å; R96-E99 PolarHBondContact O-N 3.15Å; R96-E99 VanDerWaalsContact O-N 3.14Å; R96-D100 WeakPolarHBondContact O-CB 3.32Å; R96-D100 PolarHBondContact O-N 2.82Å
97C96.6Very high96.2Very high68 Ų68104.3 Ų104.346%0.45952%0.517SS..Hα-helixtrans-60.6-35.5177.2-64.80000112.8R93 T94 A101R93-C97 PolarHBondContact O-N 2.81Å; R93-C97 PolarHBondContact O-SG 2.9Å; T94-C97 PolarHBondContact O-N 3.43Å; C97-A101 WeakPolarHBondContact O-CB 3.3Å; C97-A101 PolarHBondContact O-N 2.78Å
98V97.5Very high95.9Very high69 Ų69105.5 Ų105.542%0.41852%0.52SS..Hα-helixtrans-70.3-40175.6169.80000111.1T94 Q95 R96 A101 K102T94-V98 WeakPolarHBondContact O-CG2 3.18Å; T94-V98 PolarHBondContact O-N 3.18Å; Q95-V98 PolarHBondContact O-N 2.88Å; R96-V98 VanDerWaalsContact C-N 3.27Å; R96-V98 PolarHBondContact O-N 2.95Å; V98-A101 PolarHBondContact O-N 3.44Å; V98-K102 HydrophobicContact CG1-CD 4.35Å; V98-K102 VanDerWaalsContact O-CG 3.26Å; V98-K102 WeakPolarHBondContact O-CG 3.4Å; V98-K102 PolarHBondContact O-N 3.4Å
99E96.1Very high95.8Very high86 Ų86103.8 Ų103.840%0.40251%0.511SS..Hα-helixtrans-63.8-46.8174.6-72.6164.7-169.900111Q95 R96 A101 K102 I103Q95-E99 WeakPolarHBondContact CG-OE1 3.3Å; Q95-E99 PolarHBondContact NE2-OE1 3Å; Q95-E99 WeakPolarHBondContact O-CG 3.27Å; Q95-E99 PolarHBondContact O-N 2.88Å; R96-E99 PolarHBondContact O-N 3.15Å; R96-E99 VanDerWaalsContact O-N 3.14Å; E99-A101 PolarHBondContact O-N 3.45Å; E99-K102 WeakPolarHBondContact O-CB 3.21Å; E99-K102 PolarHBondContact O-N 2.85Å; E99-K102 VanDerWaalsContact O-N 3.15Å; E99-I103 WeakPolarHBondContact O-CG1 3.41Å; E99-I103 PolarHBondContact O-N 3.26Å
100D96.4Very high95.6Very high80 Ų80101.9 Ų101.943%0.42851%0.505SS..Hα-helixtrans-61.1-44.6175.3-67.1-24.2000111.1R96 K102 I103 F104R96-D100 WeakPolarHBondContact O-CB 3.32Å; R96-D100 PolarHBondContact O-N 2.82Å; D100-K102 VanDerWaalsContact C-N 3.26Å; D100-K102 PolarHBondContact O-N 3.24Å; D100-I103 PolarHBondContact O-N 3.29Å; D100-F104 HydrophobicContact CB-CD2 4.16Å; D100-F104 WeakPolarHBondContact O-CB 3.26Å; D100-F104 VanDerWaalsContact O-CD2 3.27Å; D100-F104 WeakPolarHBondContact O-CD2 3.47Å; D100-F104 PolarHBondContact O-N 3.18Å
101A96.1Very high95.4Very high64 Ų64102.9 Ų102.953%0.52951%0.505SS..Hα-helixtrans-63.3-31.4176.900000112.6C97 V98 E99 G105C97-A101 WeakPolarHBondContact O-CB 3.3Å; C97-A101 PolarHBondContact O-N 2.78Å; V98-A101 PolarHBondContact O-N 3.44Å; E99-A101 PolarHBondContact O-N 3.45Å; A101-G105 WeakPolarHBondContact O-CA 3.44Å; A101-G105 PolarHBondContact O-N 3.25Å
102K93.4Very high95.2Very high153 Ų15395.2 Ų95.267%0.66548%0.479SS*.Hα-helixtrans-71.2-42.7174.2-74.2168.9-178.9178.10111.9V98 E99 D100V98-K102 HydrophobicContact CG1-CD 4.35Å; V98-K102 VanDerWaalsContact O-CG 3.26Å; V98-K102 WeakPolarHBondContact O-CG 3.4Å; V98-K102 PolarHBondContact O-N 3.4Å; E99-K102 WeakPolarHBondContact O-CB 3.21Å; E99-K102 PolarHBondContact O-N 2.85Å; E99-K102 VanDerWaalsContact O-N 3.15Å; D100-K102 VanDerWaalsContact C-N 3.26Å; D100-K102 PolarHBondContact O-N 3.24Å
103I93.1Very high95.1Very high108 Ų10891.5 Ų91.555%0.55447%0.469SS*.Hα-helixtrans-73.5-47.8-177.4-64.1166.7000110.6E99 D100E99-I103 WeakPolarHBondContact O-CG1 3.41Å; E99-I103 PolarHBondContact O-N 3.26Å; D100-I103 PolarHBondContact O-N 3.29Å
104F94.6Very high95Very high121 Ų12186.6 Ų86.653%0.53146%0.46SS..Hα-helixtrans-95.7-4.7-174.2-57.4-67.8000113.6D100 I106 Q107D100-F104 HydrophobicContact CB-CD2 4.16Å; D100-F104 WeakPolarHBondContact O-CB 3.26Å; D100-F104 VanDerWaalsContact O-CD2 3.27Å; D100-F104 WeakPolarHBondContact O-CD2 3.47Å; D100-F104 PolarHBondContact O-N 3.18Å; F104-I106 PolarHBondContact O-N 2.74Å; F104-Q107 WeakPolarHBondContact O-CB 3.41Å; F104-Q107 PolarHBondContact O-N 2.93Å
105G92.7Very high94.7Very high50 Ų5087.2 Ų87.252%0.51546%0.458SS..THydrogen-bonded Turntrans-60.9-29.3177.500000113.7A101 Q107A101-G105 WeakPolarHBondContact O-CA 3.44Å; A101-G105 PolarHBondContact O-N 3.25Å; G105-Q107 VanDerWaalsContact C-N 3.33Å
106I93.7Very high94.6Very high104 Ų10482.9 Ų82.953%0.53344%0.438SS..THydrogen-bonded Turntrans-85.4-2.3176.560170.3000113.5F104 S108 F109 C110F104-I106 PolarHBondContact O-N 2.74Å; I106-S108 VanDerWaalsContact C-N 3.33Å; I106-S108 PolarHBondContact O-N 2.69Å; I106-F109 PolarHBondContact O-N 3.07Å; I106-F109 VanDerWaalsContact O-N 3.16Å; I106-C110 PolarHBondContact O-N 2.84Å; I106-C110 PolarHBondContact O-SG 2.65Å; I106-C110 VanDerWaalsContact O-SG 3.32Å
107Q94.2Very high94.5Very high94 Ų9477.1 Ų77.144%0.43942%0.424SS..Hα-helixtrans-61-40.6-171.9-174.8-175500112.5F104 G105 C110 K111F104-Q107 WeakPolarHBondContact O-CB 3.41Å; F104-Q107 PolarHBondContact O-N 2.93Å; G105-Q107 VanDerWaalsContact C-N 3.33Å; Q107-C110 PolarHBondContact O-N 3.39Å; Q107-K111 WeakPolarHBondContact O-CG 3.46Å; Q107-K111 PolarHBondContact O-N 3.26Å
108S92.6Very high94.3Very high64 Ų6477.2 Ų77.245%0.44842%0.42SS..Hα-helixtrans-64.6-42.9177.152.70000111.6I106 K111 D112I106-S108 VanDerWaalsContact C-N 3.33Å; I106-S108 PolarHBondContact O-N 2.69Å; S108-K111 PolarHBondContact O-N 3.02Å; S108-D112 PolarHBondContact O-N 3.31Å
109F93.5Very high94Very high61 Ų6175.5 Ų75.527%0.26841%0.409SS..Hα-helixtrans-62.6-44.9175.8176.6-101.7000112I106 K111 D112 L113 V157 F158 H161I106-F109 PolarHBondContact O-N 3.07Å; I106-F109 VanDerWaalsContact O-N 3.16Å; F109-K111 VanDerWaalsContact C-N 3.34Å; F109-K111 PolarHBondContact O-N 3.22Å; F109-D112 PolarHBondContact O-N 3.15Å; F109-L113 HydrophobicContact CE1-CD2 4.18Å; F109-L113 HydrophobicContact CZ-CD2 4.47Å; F109-L113 WeakPolarHBondContact O-CB 3.22Å; F109-L113 PolarHBondContact O-N 3.01Å; F109-V157 HydrophobicContact CD2-CG1 4.26Å; F109-V157 HydrophobicContact CE2-CG1 4.12Å; F109-F158 HydrophobicContact CE2-CD1 4.31Å; F109-F158 HydrophobicContact CE2-CE1 4.37Å; F109-F158 HydrophobicContact CZ-CE1 4.37Å; F109-H161 HydrophobicContact CD2-CB 4.13Å; F109-H161 AromaticContact CD2-CD2 3.65Å; F109-H161 AromaticContact CD2-CG 3.8Å; F109-H161 PolarHBondContact N-CE1 3.46Å
110C94.6Very high93.8Very high57 Ų5774.9 Ų74.939%0.38541%0.408SS..Hα-helixtrans-61.7-41.2177.2-66.70000112I106 Q107 D112 L113 V114I106-C110 PolarHBondContact O-N 2.84Å; I106-C110 PolarHBondContact O-SG 2.65Å; I106-C110 VanDerWaalsContact O-SG 3.32Å; Q107-C110 PolarHBondContact O-N 3.39Å; C110-D112 PolarHBondContact O-N 3.26Å; C110-L113 PolarHBondContact O-N 3.27Å; C110-V114 WeakPolarHBondContact O-CG2 3.45Å; C110-V114 PolarHBondContact O-N 3.16Å
111K94.4Very high93.6Very high127 Ų12776.4 Ų76.455%0.55241%0.412SS*.Hα-helixtrans-58.9-46.3176.4-76174.4179.4179.50111.9Q107 S108 F109 L113 V114Q107-K111 WeakPolarHBondContact O-CG 3.46Å; Q107-K111 PolarHBondContact O-N 3.26Å; S108-K111 PolarHBondContact O-N 3.02Å; F109-K111 VanDerWaalsContact C-N 3.34Å; F109-K111 PolarHBondContact O-N 3.22Å; K111-L113 VanDerWaalsContact C-N 3.3Å; K111-L113 PolarHBondContact O-N 2.92Å; K111-V114 PolarHBondContact O-N 3.36Å
112D93.9Very high93.2Very high34 Ų3479 Ų7918%0.18241%0.412CS..Hα-helixtrans-67.6-31.5178.8-72.3-14.1000112.4S108 F109 C110 E115 V157 H161S108-D112 PolarHBondContact O-N 3.31Å; F109-D112 PolarHBondContact O-N 3.15Å; C110-D112 PolarHBondContact O-N 3.26Å; D112-E115 PolarHBondContact O-N 3.35Å; D112-V157 HydrophobicContact CB-CB 4.49Å; D112-V157 HydrophobicContact CB-CG1 3.73Å; D112-V157 HydrophobicContact CB-CG2 3.93Å; D112-H161 IonicContact OD2-CD2 2.57Å; D112-H161 IonicContact OD2-CE1 2.65Å; D112-H161 IonicContact OD2-NE2 3.66Å; D112-H161 PolarHBondContact OD2-NE2 3.05Å
113L94.9Very high93Very high66 Ų6672.3 Ų72.335%0.34638%0.383SS..Hα-helixtrans-74.3-27.9177.2-165.866000112.6F109 C110 K111 E115 V116 A117 L154F109-L113 HydrophobicContact CE1-CD2 4.18Å; F109-L113 HydrophobicContact CZ-CD2 4.47Å; F109-L113 WeakPolarHBondContact O-CB 3.22Å; F109-L113 PolarHBondContact O-N 3.01Å; C110-L113 PolarHBondContact O-N 3.27Å; K111-L113 VanDerWaalsContact C-N 3.3Å; K111-L113 PolarHBondContact O-N 2.92Å; L113-E115 VanDerWaalsContact C-N 3.3Å; L113-E115 PolarHBondContact O-N 3.22Å; L113-V116 HydrophobicContact CD1-CB 4.34Å; L113-V116 WeakPolarHBondContact O-CB 3.48Å; L113-V116 PolarHBondContact O-N 3.23Å; L113-V116 VanDerWaalsContact O-N 3.14Å; L113-A117 PolarHBondContact O-N 3.42Å; L113-L154 HydrophobicContact CD1-CD1 4Å
114V94.8Very high92.7Very high83 Ų8370.8 Ų70.850%0.50338%0.379SS..Hα-helixtrans-62-40.1172.3171.40000110.5C110 K111 V116 A117 D118C110-V114 WeakPolarHBondContact O-CG2 3.45Å; C110-V114 PolarHBondContact O-N 3.16Å; K111-V114 PolarHBondContact O-N 3.36Å; V114-V116 PolarHBondContact O-N 3.44Å; V114-A117 WeakPolarHBondContact O-CA 3.39Å; V114-A117 WeakPolarHBondContact O-CB 3.46Å; V114-A117 PolarHBondContact O-N 3.47Å; V114-D118 PolarHBondContact O-N 3.19Å
115E92.3Very high92.3Very high83 Ų8370 Ų7039%0.38838%0.378SS..Hα-helixtrans-60.2-31.4175.3-58.8-175.4171.700112.6D112 L113 I119 K153D112-E115 PolarHBondContact O-N 3.35Å; L113-E115 VanDerWaalsContact C-N 3.3Å; L113-E115 PolarHBondContact O-N 3.22Å; E115-I119 WeakPolarHBondContact O-CD1 3.45Å; E115-I119 WeakPolarHBondContact O-CG1 3.4Å; E115-I119 PolarHBondContact O-N 2.99Å; E115-K153 WeakPolarHBondContact OE2-CE 3.31Å; E115-K153 IonicContact OE2-NZ 3.52Å; E115-K153 PolarHBondContact OE2-NZ 2.98Å
116V94.9Very high91.8Very high9 Ų973.4 Ų73.46%0.05538%0.375CS..Hα-helixtrans-71.7-40.4175.2176.60000110.4L113 V114 I119 L120 L150 K153 L154 V157L113-V116 HydrophobicContact CD1-CB 4.34Å; L113-V116 WeakPolarHBondContact O-CB 3.48Å; L113-V116 PolarHBondContact O-N 3.23Å; L113-V116 VanDerWaalsContact O-N 3.14Å; V114-V116 PolarHBondContact O-N 3.44Å; V116-I119 PolarHBondContact O-N 3.46Å; V116-L120 PolarHBondContact O-N 3.31Å; V116-L150 HydrophobicContact CB-CD1 4.45Å; V116-L150 HydrophobicContact CG1-CD1 3.38Å; V116-L150 HydrophobicContact CG1-CG 4.13Å; V116-L150 WeakPolarHBondContact O-CD1 3.36Å; V116-K153 HydrophobicContact CG2-CB 4.41Å; V116-K153 HydrophobicContact CG2-CG 3.77Å; V116-L154 HydrophobicContact CG1-CD1 4.39Å; V116-V157 HydrophobicContact CG2-CG2 4.26Å
117A93.9Very high90.9Very high38 Ų3872.3 Ų72.331%0.31437%0.37SS..Hα-helixtrans-62.8-42174.700000111.8L113 V114 I119 L120 E121L113-A117 PolarHBondContact O-N 3.42Å; V114-A117 WeakPolarHBondContact O-CA 3.39Å; V114-A117 WeakPolarHBondContact O-CB 3.46Å; V114-A117 PolarHBondContact O-N 3.47Å; A117-I119 PolarHBondContact O-N 3.19Å; A117-L120 WeakPolarHBondContact O-CA 3.34Å; A117-L120 VanDerWaalsContact O-CB 3.32Å; A117-L120 WeakPolarHBondContact O-CB 3.35Å; A117-L120 PolarHBondContact O-N 3.01Å; A117-E121 PolarHBondContact O-N 3.44Å
118D93.1Very high89.9Confident70 Ų7072 Ų7237%0.37438%0.378SS..Hα-helixtrans-60-34.9177-63.8-14.5000112.3V114 K122V114-D118 PolarHBondContact O-N 3.19Å; D118-K122 VanDerWaalsContact O-CG 3.29Å; D118-K122 WeakPolarHBondContact O-CG 3.32Å; D118-K122 PolarHBondContact O-N 3.14Å; D118-K122 VanDerWaalsContact O-N 3.14Å
119I91.3Very high88.7Confident33 Ų3376.2 Ų76.217%0.16939%0.391CS..Hα-helixtrans-68.8-39175.6-65.6164000110.5E115 V116 A117 T123 L149 L150 K153E115-I119 WeakPolarHBondContact O-CD1 3.45Å; E115-I119 WeakPolarHBondContact O-CG1 3.4Å; E115-I119 PolarHBondContact O-N 2.99Å; V116-I119 PolarHBondContact O-N 3.46Å; A117-I119 PolarHBondContact O-N 3.19Å; I119-T123 WeakPolarHBondContact O-CB 3.35Å; I119-T123 PolarHBondContact O-N 3.31Å; I119-T123 PolarHBondContact O-OG1 3.14Å; I119-L149 HydrophobicContact CD1-CD2 4.44Å; I119-L149 HydrophobicContact CD1-CG 4.41Å; I119-L149 HydrophobicContact CG2-CD2 4.21Å; I119-L149 HydrophobicContact CG2-CG 4.44Å; I119-L150 HydrophobicContact CB-CD1 4.22Å; I119-L150 HydrophobicContact CG2-CB 4.36Å; I119-L150 HydrophobicContact CG2-CD1 4.18Å; I119-K153 HydrophobicContact CD1-CB 4.18Å; I119-K153 HydrophobicContact CD1-CG 4.04Å
120L91.6Very high87.2Confident73 Ų7376 Ų7638%0.38239%0.391SS..Hα-helixtrans-62.2-50.3174.5-75173.5000111.4V116 A117 K122 T123 T124 L150V116-L120 PolarHBondContact O-N 3.31Å; A117-L120 WeakPolarHBondContact O-CA 3.34Å; A117-L120 VanDerWaalsContact O-CB 3.32Å; A117-L120 WeakPolarHBondContact O-CB 3.35Å; A117-L120 PolarHBondContact O-N 3.01Å; L120-K122 PolarHBondContact O-N 3Å; L120-T123 WeakPolarHBondContact O-CA 3.49Å; L120-T123 WeakPolarHBondContact O-CB 3.37Å; L120-T123 PolarHBondContact O-N 2.91Å; L120-T124 WeakPolarHBondContact O-CG2 3.46Å; L120-T124 PolarHBondContact O-N 3.31Å; L120-T124 PolarHBondContact O-OG1 3.43Å; L120-L150 HydrophobicContact CD1-CD1 4.15Å; L120-L150 HydrophobicContact CD1-CD2 4.34Å; L120-L150 HydrophobicContact CD2-CD1 3.7Å; L120-L150 HydrophobicContact CD2-CD2 3.3Å; L120-L150 HydrophobicContact CD2-CG 4.06Å; L120-L150 HydrophobicContact CG-CD1 3.45Å; L120-L150 VanDerWaalsContact CG-CD1 3.45Å; L120-L150 HydrophobicContact CG-CD2 3.94Å; L120-L150 HydrophobicContact CG-CG 4.3Å
121E91.6Very high85.4Confident113 Ų11378.7 Ų78.753%0.52841%0.406SS..Hα-helixtrans-57.3-49.8-178.5-71.5-180-178.300110.8A117 T123 T124 E125A117-E121 PolarHBondContact O-N 3.44Å; E121-T123 VanDerWaalsContact C-N 3.3Å; E121-T123 PolarHBondContact O-N 3.01Å; E121-T124 WeakPolarHBondContact CA-OG1 3.5Å; E121-T124 PolarHBondContact O-N 3.48Å; E121-T124 PolarHBondContact O-OG1 2.9Å; E121-E125 WeakPolarHBondContact O-CG 3.22Å; E121-E125 PolarHBondContact O-N 3.06Å
122K88.3Confident83.7Confident119 Ų11980.1 Ų80.152%0.51741%0.414SS..Hα-helixtrans-58.6-40.8174.7-71.7172.5-176.6172.20112.9D118 L120 T124 E125 Y126D118-K122 VanDerWaalsContact O-CG 3.29Å; D118-K122 WeakPolarHBondContact O-CG 3.32Å; D118-K122 PolarHBondContact O-N 3.14Å; D118-K122 VanDerWaalsContact O-N 3.14Å; L120-K122 PolarHBondContact O-N 3Å; K122-T124 VanDerWaalsContact C-N 3.29Å; K122-T124 PolarHBondContact O-N 2.93Å; K122-E125 PolarHBondContact O-N 3.05Å; K122-Y126 WeakPolarHBondContact O-CD2 3.08Å; K122-Y126 PolarHBondContact O-N 3.21Å
123T88.6Confident82Confident11 Ų1183.5 Ų83.57%0.06744%0.438CS..Hα-helixtrans-64.5-37.1177.9-550000110.9I119 L120 E121 I127 I143I119-T123 WeakPolarHBondContact O-CB 3.35Å; I119-T123 PolarHBondContact O-N 3.31Å; I119-T123 PolarHBondContact O-OG1 3.14Å; L120-T123 WeakPolarHBondContact O-CA 3.49Å; L120-T123 WeakPolarHBondContact O-CB 3.37Å; L120-T123 PolarHBondContact O-N 2.91Å; E121-T123 VanDerWaalsContact C-N 3.3Å; E121-T123 PolarHBondContact O-N 3.01Å; T123-I127 WeakPolarHBondContact O-CG1 3.43Å; T123-I143 HydrophobicContact CG2-CG2 4.46Å
124T87.3Confident80.5Confident76 Ų7683.5 Ų83.547%0.46645%0.454SS..Hα-helixtrans-74.9-31.7177.255.20000114L120 E121 K122 I127 S128L120-T124 WeakPolarHBondContact O-CG2 3.46Å; L120-T124 PolarHBondContact O-N 3.31Å; L120-T124 PolarHBondContact O-OG1 3.43Å; E121-T124 WeakPolarHBondContact CA-OG1 3.5Å; E121-T124 PolarHBondContact O-N 3.48Å; E121-T124 PolarHBondContact O-OG1 2.9Å; K122-T124 VanDerWaalsContact C-N 3.29Å; K122-T124 PolarHBondContact O-N 2.93Å; T124-I127 WeakPolarHBondContact O-CB 3.45Å; T124-I127 PolarHBondContact O-N 3.41Å; T124-S128 PolarHBondContact O-N 2.68Å; T124-S128 PolarHBondContact O-OG 3.32Å
125E86.8Confident79Confident106 Ų10684.5 Ų84.550%0.49546%0.457SS..Hα-helixtrans-62.1-43.8173.9-73.6172.1171.100111E121 K122 I127 S128 E129E121-E125 WeakPolarHBondContact O-CG 3.22Å; E121-E125 PolarHBondContact O-N 3.06Å; K122-E125 PolarHBondContact O-N 3.05Å; E125-I127 PolarHBondContact O-N 3.24Å; E125-I127 VanDerWaalsContact O-N 3.15Å; E125-S128 PolarHBondContact O-N 3.35Å; E125-E129 PolarHBondContact O-N 2.89Å; E125-E129 VanDerWaalsContact O-N 3.14Å
126Y80.8Confident78Confident120 Ų12087.2 Ų87.247%0.47147%0.469SS..Hα-helixtrans-58-29.8175.7-65.7-45.4000113.6K122K122-Y126 WeakPolarHBondContact O-CD2 3.08Å; K122-Y126 PolarHBondContact O-N 3.21Å
127I76.3Confident77.1Confident81 Ų8194.8 Ų94.842%0.41550%0.502SS..Hα-helixtrans-71.4-37176.4-55.8178.6000110.8T123 T124 E125 I143T123-I127 WeakPolarHBondContact O-CG1 3.43Å; T124-I127 WeakPolarHBondContact O-CB 3.45Å; T124-I127 PolarHBondContact O-N 3.41Å; E125-I127 PolarHBondContact O-N 3.24Å; E125-I127 VanDerWaalsContact O-N 3.15Å; I127-I143 HydrophobicContact CD1-CD1 3.81Å; I127-I143 HydrophobicContact CD1-CG1 3.93Å; I127-I143 HydrophobicContact CG1-CD1 3.63Å; I127-I143 HydrophobicContact CG1-CG1 3.68Å
128S71.8Confident76.2Confident88 Ų8897 Ų9762%0.61551%0.507SS*.Hα-helixtrans-76.4-35.1-174.2-53.90000111.9T124 E125 T131T124-S128 PolarHBondContact O-N 2.68Å; T124-S128 PolarHBondContact O-OG 3.32Å; E125-S128 PolarHBondContact O-N 3.35Å; S128-T131 PolarHBondContact O-OG1 3.45Å; S128-T131 VanDerWaalsContact O-OG1 3.11Å
129E68.8Low75.4Confident152 Ų15294.4 Ų94.471%0.7149%0.494SS*.Hα-helixtrans-77.7-28.6-178.2-66.6-178.1168.600113.5E125 T131E125-E129 PolarHBondContact O-N 2.89Å; E125-E129 VanDerWaalsContact O-N 3.14Å; E129-T131 PolarHBondContact O-N 2.95Å
130E61.6Low75Confident57 Ų5798.4 Ų98.427%0.26652%0.516SS..THydrogen-bonded Turntrans-94.232.2-174.2-66.4-171.3170.400114.3E132 T139 K142E130-E132 PolarHBondContact O-N 3.14Å; E130-T139 HydrophobicContact CB-CG2 4.01Å; E130-T139 VanDerWaalsContact OE2-CA 3.27Å; E130-T139 WeakPolarHBondContact OE2-CA 3.49Å; E130-T139 WeakPolarHBondContact OE2-CB 3.47Å; E130-T139 WeakPolarHBondContact OE2-CG2 3.47Å; E130-T139 PolarHBondContact OE2-OG1 3.48Å; E130-K142 IonicContact OE1-NZ 3.74Å; E130-K142 PolarHBondContact OE1-NZ 3.23Å; E130-K142 IonicContact OE2-NZ 2.65Å
131T56.3Low74.7Confident114 Ų114101.1 Ų101.170%0.69953%0.526SS*.  trans-712.9178.6-44.70000113.5S128 E129S128-T131 PolarHBondContact O-OG1 3.45Å; S128-T131 VanDerWaalsContact O-OG1 3.11Å; E129-T131 PolarHBondContact O-N 2.95Å
132E59.7Low74.4Confident157 Ų157100.2 Ų100.273%0.73452%0.52SS*.SBendtrans-78.4127.2176-71.5-65.3141.700111E130 G134E130-E132 PolarHBondContact O-N 3.14Å; E132-G134 PolarHBondContact O-N 3.11Å
133P58.2Low74.3Confident104 Ų10496 Ų9668%0.67550%0.504SS*.THydrogen-bonded Turntrans-71.18.5-161.526.7-35.3000116.6
134G61.8Low74.3Confident67 Ų67103 Ų10369%0.69153%0.533SS*.THydrogen-bonded Turntrans-84-34.9-174.500000115.6E132E132-G134 PolarHBondContact O-N 3.11Å
135D65Low74.4Confident104 Ų104108.7 Ų108.756%0.55655%0.546SS*.  trans-126.831.2-159.2-76.7-26.2000114.8K137 L138 T139D135-K137 PolarHBondContact O-N 3.24Å; D135-L138 HydrophobicContact CB-CB 4.43Å; D135-L138 HydrophobicContact CB-CD1 4.1Å; D135-L138 PolarHBondContact O-N 3.32Å; D135-T139 PolarHBondContact O-N 3.04Å; D135-T139 PolarHBondContact O-OG1 3.32Å
136Q70.6Confident74.6Confident139 Ų139104.2 Ų104.265%0.6553%0.528SS*.Hα-helixtrans-51.2-32.4-176-65.3177.84.900114.6L140Q136-L140 VanDerWaalsContact O-CG 3.3Å; Q136-L140 WeakPolarHBondContact O-CG 3.32Å; Q136-L140 PolarHBondContact O-N 2.91Å; Q136-L140 VanDerWaalsContact O-N 3.12Å
137K74.9Confident75.1Confident169 Ų169102.6 Ų102.674%0.73553%0.527SS*.Hα-helixtrans-67.9-41.4177.5-69.9-176.5-179.9179.70112.4D135 T139 L140 E141D135-K137 PolarHBondContact O-N 3.24Å; K137-T139 VanDerWaalsContact C-N 3.33Å; K137-L140 PolarHBondContact O-N 3Å; K137-E141 WeakPolarHBondContact O-CG 3.46Å; K137-E141 PolarHBondContact O-N 2.86Å
138L75.3Confident75.9Confident83 Ų83101.7 Ų101.744%0.43553%0.528SS..Hα-helixtrans-67.4-37.8179-65.6173000110.7D135 E141 K142D135-L138 HydrophobicContact CB-CB 4.43Å; D135-L138 HydrophobicContact CB-CD1 4.1Å; D135-L138 PolarHBondContact O-N 3.32Å; L138-E141 PolarHBondContact O-N 3.47Å; L138-K142 VanDerWaalsContact O-CG 3.26Å; L138-K142 WeakPolarHBondContact O-CG 3.07Å; L138-K142 PolarHBondContact O-N 2.9Å
139T77.8Confident76.9Confident17 Ų17102.2 Ų102.210%0.10452%0.523CS..Hα-helixtrans-62.2-47.4174.6-45.10000111.5E130 D135 K137 E141 K142 I143E130-T139 HydrophobicContact CB-CG2 4.01Å; E130-T139 VanDerWaalsContact OE2-CA 3.27Å; E130-T139 WeakPolarHBondContact OE2-CA 3.49Å; E130-T139 WeakPolarHBondContact OE2-CB 3.47Å; E130-T139 WeakPolarHBondContact OE2-CG2 3.47Å; E130-T139 PolarHBondContact OE2-OG1 3.48Å; D135-T139 PolarHBondContact O-N 3.04Å; D135-T139 PolarHBondContact O-OG1 3.32Å; K137-T139 VanDerWaalsContact C-N 3.33Å; T139-E141 PolarHBondContact O-N 3.02Å; T139-K142 PolarHBondContact O-N 2.8Å; T139-I143 HydrophobicContact CG2-CD1 4.14Å; T139-I143 VanDerWaalsContact O-CG1 3.23Å; T139-I143 WeakPolarHBondContact O-CG1 3.39Å; T139-I143 PolarHBondContact O-N 3.03Å
140L82.6Confident78.2Confident117 Ų11796.2 Ų96.261%0.61350%0.496SS*.Hα-helixtrans-62.3-40.6177.9-70.6174.4000112.6Q136 K137 I143 F144Q136-L140 VanDerWaalsContact O-CG 3.3Å; Q136-L140 WeakPolarHBondContact O-CG 3.32Å; Q136-L140 PolarHBondContact O-N 2.91Å; Q136-L140 VanDerWaalsContact O-N 3.12Å; K137-L140 PolarHBondContact O-N 3Å; L140-I143 HydrophobicContact CD2-CD1 4.47Å; L140-I143 PolarHBondContact O-N 3.49Å; L140-F144 WeakPolarHBondContact O-CB 3.29Å; L140-F144 PolarHBondContact O-N 3.15Å
141E85.6Confident79.7Confident130 Ų13098.5 Ų98.561%0.60751%0.506SS*.Hα-helixtrans-64-41.7175.6-73.8176.1-173.200112K137 L138 T139 F144 R145K137-E141 WeakPolarHBondContact O-CG 3.46Å; K137-E141 PolarHBondContact O-N 2.86Å; L138-E141 PolarHBondContact O-N 3.47Å; T139-E141 PolarHBondContact O-N 3.02Å; E141-F144 PolarHBondContact O-N 2.75Å; E141-R145 WeakPolarHBondContact O-CB 3.42Å; E141-R145 PolarHBondContact O-N 2.96Å
142K84.3Confident81.4Confident93 Ų9395.8 Ų95.840%0.40450%0.496SS..Hα-helixtrans-62.4-43.9175-73172.1-173.2179.20111.9E130 L138 T139 R145 G146E130-K142 IonicContact OE1-NZ 3.74Å; E130-K142 PolarHBondContact OE1-NZ 3.23Å; E130-K142 IonicContact OE2-NZ 2.65Å; L138-K142 VanDerWaalsContact O-CG 3.26Å; L138-K142 WeakPolarHBondContact O-CG 3.07Å; L138-K142 PolarHBondContact O-N 2.9Å; T139-K142 PolarHBondContact O-N 2.8Å; K142-R145 PolarHBondContact O-N 3.27Å; K142-G146 PolarHBondContact O-N 2.8Å
143I86.4Confident83.1Confident32 Ų3291 Ų9116%0.16447%0.473CS..Hα-helixtrans-61.7-49.6176.3-64.7162.6000110.3T123 I127 T139 L140 R145 G146 L147T123-I143 HydrophobicContact CG2-CG2 4.46Å; I127-I143 HydrophobicContact CD1-CD1 3.81Å; I127-I143 HydrophobicContact CD1-CG1 3.93Å; I127-I143 HydrophobicContact CG1-CD1 3.63Å; I127-I143 HydrophobicContact CG1-CG1 3.68Å; T139-I143 HydrophobicContact CG2-CD1 4.14Å; T139-I143 VanDerWaalsContact O-CG1 3.23Å; T139-I143 WeakPolarHBondContact O-CG1 3.39Å; T139-I143 PolarHBondContact O-N 3.03Å; L140-I143 HydrophobicContact CD2-CD1 4.47Å; L140-I143 PolarHBondContact O-N 3.49Å; I143-R145 VanDerWaalsContact C-N 3.26Å; I143-R145 PolarHBondContact O-N 3.45Å; I143-G146 PolarHBondContact O-N 3.33Å; I143-G146 VanDerWaalsContact O-N 3.07Å; I143-L147 HydrophobicContact CG2-CD1 3.96Å; I143-L147 HydrophobicContact CG2-CG 4.3Å; I143-L147 WeakPolarHBondContact O-CG 3.47Å; I143-L147 PolarHBondContact O-N 3.19Å
144F89.4Confident84.8Confident156 Ų15688.5 Ų88.568%0.68445%0.453SS*.Hα-helixtrans-59.5-40.4-180-173.8-97.7000111.5L140 E141 L147 S148L140-F144 WeakPolarHBondContact O-CB 3.29Å; L140-F144 PolarHBondContact O-N 3.15Å; E141-F144 PolarHBondContact O-N 2.75Å; F144-L147 PolarHBondContact O-N 2.94Å; F144-S148 WeakPolarHBondContact O-CB 3.33Å; F144-S148 PolarHBondContact O-N 3.43Å
145R89.4Confident86.3Confident197 Ų19790.6 Ų90.674%0.74344%0.443SS*.Hα-helixtrans-62.9-43.5173.7-165.2-177.890.6173.35.9112.2E141 K142 I143 S148 L149E141-R145 WeakPolarHBondContact O-CB 3.42Å; E141-R145 PolarHBondContact O-N 2.96Å; K142-R145 PolarHBondContact O-N 3.27Å; I143-R145 VanDerWaalsContact C-N 3.26Å; I143-R145 PolarHBondContact O-N 3.45Å; R145-S148 PolarHBondContact O-N 3.25Å; R145-L149 WeakPolarHBondContact O-CB 3.41Å; R145-L149 PolarHBondContact O-N 3.24Å
146G89.4Confident87.7Confident11 Ų1188 Ų8811%0.11343%0.434CS..Hα-helixtrans-60.2-45.6176.200000112.3K142 I143 L149 L150K142-G146 PolarHBondContact O-N 2.8Å; I143-G146 PolarHBondContact O-N 3.33Å; I143-G146 VanDerWaalsContact O-N 3.07Å; G146-L149 PolarHBondContact O-N 3.48Å; G146-L150 WeakPolarHBondContact O-CB 3.12Å; G146-L150 PolarHBondContact O-N 2.87Å
147L92.5Very high88.9Confident87 Ų8781.4 Ų81.446%0.45540%0.403SS..Hα-helixtrans-66.2-38.7176.5-68176.1000112.7I143 F144 L150 E151I143-L147 HydrophobicContact CG2-CD1 3.96Å; I143-L147 HydrophobicContact CG2-CG 4.3Å; I143-L147 WeakPolarHBondContact O-CG 3.47Å; I143-L147 PolarHBondContact O-N 3.19Å; F144-L147 PolarHBondContact O-N 2.94Å; L147-L150 WeakPolarHBondContact O-CB 3.09Å; L147-L150 PolarHBondContact O-N 3.28Å; L147-E151 PolarHBondContact O-N 2.81Å
148S93.4Very high89.8Confident61 Ų6175.3 Ų75.343%0.42738%0.376SS..Hα-helixtrans-65.7-40.9175.5-1750000111.7F144 R145 L150 E151 A152F144-S148 WeakPolarHBondContact O-CB 3.33Å; F144-S148 PolarHBondContact O-N 3.43Å; R145-S148 PolarHBondContact O-N 3.25Å; S148-L150 VanDerWaalsContact C-N 3.34Å; S148-E151 PolarHBondContact O-N 3.14Å; S148-A152 WeakPolarHBondContact O-CB 3.34Å; S148-A152 PolarHBondContact O-N 3.3Å
149L92.8Very high90.6Very high99 Ų9974.9 Ų74.952%0.51838%0.384SS..Hα-helixtrans-62.8-42.8173.9-179.865.2000111.4I119 R145 G146 A152 K153I119-L149 HydrophobicContact CD1-CD2 4.44Å; I119-L149 HydrophobicContact CD1-CG 4.41Å; I119-L149 HydrophobicContact CG2-CD2 4.21Å; I119-L149 HydrophobicContact CG2-CG 4.44Å; R145-L149 WeakPolarHBondContact O-CB 3.41Å; R145-L149 PolarHBondContact O-N 3.24Å; G146-L149 PolarHBondContact O-N 3.48Å; L149-A152 PolarHBondContact O-N 3.27Å; L149-K153 WeakPolarHBondContact O-CB 3.26Å; L149-K153 PolarHBondContact O-N 3.38Å
150L94.4Very high91.4Very high27 Ų2780.2 Ų80.214%0.14141%0.406CS..Hα-helixtrans-57.5-51.4175.5-174.782.6000111.6V116 I119 L120 G146 L147 S148 A152 K153 L154V116-L150 HydrophobicContact CB-CD1 4.45Å; V116-L150 HydrophobicContact CG1-CD1 3.38Å; V116-L150 HydrophobicContact CG1-CG 4.13Å; V116-L150 WeakPolarHBondContact O-CD1 3.36Å; I119-L150 HydrophobicContact CB-CD1 4.22Å; I119-L150 HydrophobicContact CG2-CB 4.36Å; I119-L150 HydrophobicContact CG2-CD1 4.18Å; L120-L150 HydrophobicContact CD1-CD1 4.15Å; L120-L150 HydrophobicContact CD1-CD2 4.34Å; L120-L150 HydrophobicContact CD2-CD1 3.7Å; L120-L150 HydrophobicContact CD2-CD2 3.3Å; L120-L150 HydrophobicContact CD2-CG 4.06Å; L120-L150 HydrophobicContact CG-CD1 3.45Å; L120-L150 VanDerWaalsContact CG-CD1 3.45Å; L120-L150 HydrophobicContact CG-CD2 3.94Å; L120-L150 HydrophobicContact CG-CG 4.3Å; G146-L150 WeakPolarHBondContact O-CB 3.12Å; G146-L150 PolarHBondContact O-N 2.87Å; L147-L150 WeakPolarHBondContact O-CB 3.09Å; L147-L150 PolarHBondContact O-N 3.28Å; S148-L150 VanDerWaalsContact C-N 3.34Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 3.44Å; L150-K153 PolarHBondContact O-N 2.88Å; L150-L154 WeakPolarHBondContact O-CB 3.18Å; L150-L154 PolarHBondContact O-N 3.5Å
151E93Very high91.9Very high104 Ų10476.6 Ų76.649%0.48639%0.386SS..Hα-helixtrans-59.7-44.9-179.7-171.8-170.1172.200111.1L147 S148 L154 K155L147-E151 PolarHBondContact O-N 2.81Å; S148-E151 PolarHBondContact O-N 3.14Å; E151-L154 PolarHBondContact O-N 2.97Å; E151-K155 HydrophobicContact CG-CD 4.44Å; E151-K155 WeakPolarHBondContact O-CG 3.27Å; E151-K155 PolarHBondContact O-N 2.92Å; E151-K155 WeakPolarHBondContact OE1-CE 3.41Å; E151-K155 IonicContact OE1-NZ 2.63Å; E151-K155 PolarHBondContact OE1-NZ 3.46Å
152A93.5Very high92.2Very high58 Ų5871.1 Ų71.148%0.47936%0.364SS..Hα-helixtrans-62.6-43.7177.600000111.9S148 L149 L150 S156S148-A152 WeakPolarHBondContact O-CB 3.34Å; S148-A152 PolarHBondContact O-N 3.3Å; L149-A152 PolarHBondContact O-N 3.27Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 3.44Å; A152-S156 WeakPolarHBondContact O-CB 3.38Å; A152-S156 PolarHBondContact O-N 2.99Å
153K94.4Very high92.7Very high56 Ų5668.2 Ų68.224%0.24335%0.353CS..Hα-helixtrans-65.6-44.5178-173.369.6177.9-166.20111.2E115 V116 I119 L149 L150 K155 S156 V157E115-K153 WeakPolarHBondContact OE2-CE 3.31Å; E115-K153 IonicContact OE2-NZ 3.52Å; E115-K153 PolarHBondContact OE2-NZ 2.98Å; V116-K153 HydrophobicContact CG2-CB 4.41Å; V116-K153 HydrophobicContact CG2-CG 3.77Å; I119-K153 HydrophobicContact CD1-CB 4.18Å; I119-K153 HydrophobicContact CD1-CG 4.04Å; L149-K153 WeakPolarHBondContact O-CB 3.26Å; L149-K153 PolarHBondContact O-N 3.38Å; L150-K153 PolarHBondContact O-N 2.88Å; K153-K155 PolarHBondContact O-N 3.48Å; K153-S156 WeakPolarHBondContact O-CB 3.36Å; K153-S156 PolarHBondContact O-N 2.83Å; K153-S156 VanDerWaalsContact O-N 3.14Å; K153-V157 WeakPolarHBondContact O-CG2 3.46Å; K153-V157 PolarHBondContact O-N 2.94Å
154L94.7Very high92.9Very high51 Ų5172.5 Ų72.527%0.26737%0.373SS..Hα-helixtrans-60.8-44.7178.4-174.964.4000111.6L113 V116 L150 E151 S156 V157 F158L113-L154 HydrophobicContact CD1-CD1 4Å; V116-L154 HydrophobicContact CG1-CD1 4.39Å; L150-L154 WeakPolarHBondContact O-CB 3.18Å; L150-L154 PolarHBondContact O-N 3.5Å; E151-L154 PolarHBondContact O-N 2.97Å; L154-S156 VanDerWaalsContact C-N 3.32Å; L154-S156 PolarHBondContact O-N 3.45Å; L154-V157 PolarHBondContact O-N 3.33Å; L154-F158 HydrophobicContact CD1-CD1 4.25Å; L154-F158 HydrophobicContact CD1-CE1 3.57Å; L154-F158 HydrophobicContact CD1-CE2 4.18Å; L154-F158 HydrophobicContact CD1-CZ 3.53Å; L154-F158 HydrophobicContact CD2-CE2 4.14Å; L154-F158 HydrophobicContact CD2-CZ 4.06Å; L154-F158 HydrophobicContact CG-CD2 4.35Å; L154-F158 HydrophobicContact CG-CE1 4.11Å; L154-F158 HydrophobicContact CG-CE2 3.82Å; L154-F158 HydrophobicContact CG-CZ 3.69Å; L154-F158 WeakPolarHBondContact O-CG 3.29Å; L154-F158 PolarHBondContact O-N 2.89Å
155K93.1Very high93.1Very high111 Ų11170 Ų7048%0.48336%0.361SS..Hα-helixtrans-60.7-40.4174.1-73.1176.1-175.6169.90112.3E151 K153 F158 A159E151-K155 HydrophobicContact CG-CD 4.44Å; E151-K155 WeakPolarHBondContact O-CG 3.27Å; E151-K155 PolarHBondContact O-N 2.92Å; E151-K155 WeakPolarHBondContact OE1-CE 3.41Å; E151-K155 IonicContact OE1-NZ 2.63Å; E151-K155 PolarHBondContact OE1-NZ 3.46Å; K153-K155 PolarHBondContact O-N 3.48Å; K155-F158 PolarHBondContact O-N 3.25Å; K155-A159 PolarHBondContact O-N 2.84Å
156S93.8Very high93.1Very high51 Ų5161.5 Ų61.536%0.35733%0.33SS..Hα-helixtrans-62.1-44.9175.1178.10000111.8A152 K153 L154 A159 K160A152-S156 WeakPolarHBondContact O-CB 3.38Å; A152-S156 PolarHBondContact O-N 2.99Å; K153-S156 WeakPolarHBondContact O-CB 3.36Å; K153-S156 PolarHBondContact O-N 2.83Å; K153-S156 VanDerWaalsContact O-N 3.14Å; L154-S156 VanDerWaalsContact C-N 3.32Å; L154-S156 PolarHBondContact O-N 3.45Å; S156-A159 PolarHBondContact O-N 3.2Å; S156-K160 VanDerWaalsContact O-CG 3.28Å; S156-K160 WeakPolarHBondContact O-CG 3.28Å; S156-K160 PolarHBondContact O-N 3.29Å
157V95.2Very high93Very high0 Ų064.8 Ų64.80%035%0.348CS..Hα-helixtrans-62.5-45.7176.6174.50000110.7F109 D112 V116 K153 L154 A159 K160 H161F109-V157 HydrophobicContact CD2-CG1 4.26Å; F109-V157 HydrophobicContact CE2-CG1 4.12Å; D112-V157 HydrophobicContact CB-CB 4.49Å; D112-V157 HydrophobicContact CB-CG1 3.73Å; D112-V157 HydrophobicContact CB-CG2 3.93Å; V116-V157 HydrophobicContact CG2-CG2 4.26Å; K153-V157 WeakPolarHBondContact O-CG2 3.46Å; K153-V157 PolarHBondContact O-N 2.94Å; L154-V157 PolarHBondContact O-N 3.33Å; V157-A159 PolarHBondContact O-N 3.28Å; V157-K160 PolarHBondContact O-N 2.93Å; V157-H161 PolarHBondContact O-CD2 3.4Å; V157-H161 VanDerWaalsContact O-CD2 3.26Å; V157-H161 PolarHBondContact O-N 2.88Å
158F94.1Very high92.7Very high41 Ų4160.8 Ų60.818%0.1833%0.328CS..Hα-helixtrans-57.8-48.1176.7-70.5-8.8000112.4F109 L154 K155 K160 H161 G162 L163 Y203F109-F158 HydrophobicContact CE2-CD1 4.31Å; F109-F158 HydrophobicContact CE2-CE1 4.37Å; F109-F158 HydrophobicContact CZ-CE1 4.37Å; L154-F158 HydrophobicContact CD1-CD1 4.25Å; L154-F158 HydrophobicContact CD1-CE1 3.57Å; L154-F158 HydrophobicContact CD1-CE2 4.18Å; L154-F158 HydrophobicContact CD1-CZ 3.53Å; L154-F158 HydrophobicContact CD2-CE2 4.14Å; L154-F158 HydrophobicContact CD2-CZ 4.06Å; L154-F158 HydrophobicContact CG-CD2 4.35Å; L154-F158 HydrophobicContact CG-CE1 4.11Å; L154-F158 HydrophobicContact CG-CE2 3.82Å; L154-F158 HydrophobicContact CG-CZ 3.69Å; L154-F158 WeakPolarHBondContact O-CG 3.29Å; L154-F158 PolarHBondContact O-N 2.89Å; K155-F158 PolarHBondContact O-N 3.25Å; F158-K160 VanDerWaalsContact C-N 3.34Å; F158-K160 PolarHBondContact O-N 3.45Å; F158-H161 PolarHBondContact O-N 3.29Å; F158-G162 PolarHBondContact O-N 2.88Å; F158-L163 CarbonylContact C-O 3.59Å; F158-L163 HydrophobicContact CB-CB 4.02Å; F158-L163 HydrophobicContact CB-CD2 4.12Å; F158-L163 HydrophobicContact CD1-CD2 3.71Å; F158-L163 HydrophobicContact CD2-CD2 3.91Å; F158-L163 HydrophobicContact CE1-CD2 4.01Å; F158-L163 HydrophobicContact CE2-CD2 4.19Å; F158-L163 HydrophobicContact CG-CB 4.45Å; F158-L163 HydrophobicContact CG-CD2 3.66Å; F158-L163 HydrophobicContact CZ-CD2 4.23Å; F158-L163 WeakPolarHBondContact O-CA 3.42Å; F158-L163 WeakPolarHBondContact O-CB 3.38Å; F158-L163 PolarHBondContact O-N 3.35Å; F158-Y203 HydrophobicContact CD2-CE1 4.13Å; F158-Y203 HydrophobicContact CE2-CE1 4.12Å
159A92.4Very high92.4Very high73 Ų7363.1 Ų63.160%0.60333%0.334SS*.Hα-helixtrans-61.3-40.4177.800000112.8K155 S156 V157 H161 G162K155-A159 PolarHBondContact O-N 2.84Å; S156-A159 PolarHBondContact O-N 3.2Å; V157-A159 PolarHBondContact O-N 3.28Å; A159-H161 VanDerWaalsContact C-N 3.33Å; A159-H161 PolarHBondContact O-N 2.95Å; A159-G162 PolarHBondContact O-N 2.9Å
160K93.8Very high92.1Very high130 Ų13060.8 Ų60.857%0.56533%0.334SS*.Hα-helixtrans-61.3-38.9178.2-75.2174.6-179.5-171.20113.2S156 V157 F158 G162S156-K160 VanDerWaalsContact O-CG 3.28Å; S156-K160 WeakPolarHBondContact O-CG 3.28Å; S156-K160 PolarHBondContact O-N 3.29Å; V157-K160 PolarHBondContact O-N 2.93Å; F158-K160 VanDerWaalsContact C-N 3.34Å; F158-K160 PolarHBondContact O-N 3.45Å; K160-G162 VanDerWaalsContact C-N 3.3Å
161H93.5Very high91.8Very high41 Ų4163.9 Ų63.919%0.1935%0.35CS..THydrogen-bonded Turntrans-91.211.9-180-66.9-77.5000113F109 D112 V157 F158 A159 L163 L205 H206F109-H161 HydrophobicContact CD2-CB 4.13Å; F109-H161 AromaticContact CD2-CD2 3.65Å; F109-H161 AromaticContact CD2-CG 3.8Å; F109-H161 PolarHBondContact N-CE1 3.46Å; D112-H161 IonicContact OD2-CD2 2.57Å; D112-H161 IonicContact OD2-CE1 2.65Å; D112-H161 IonicContact OD2-NE2 3.66Å; D112-H161 PolarHBondContact OD2-NE2 3.05Å; V157-H161 PolarHBondContact O-CD2 3.4Å; V157-H161 VanDerWaalsContact O-CD2 3.26Å; V157-H161 PolarHBondContact O-N 2.88Å; F158-H161 PolarHBondContact O-N 3.29Å; A159-H161 VanDerWaalsContact C-N 3.33Å; A159-H161 PolarHBondContact O-N 2.95Å; H161-L163 VanDerWaalsContact C-N 3.32Å; H161-L163 PolarHBondContact O-N 2.88Å; H161-L205 WeakPolarHBondContact O-CD1 3.37Å; H161-H206 PolarHBondContact O-NE2 2.96Å
162G91.9Very high91.7Very high14 Ų1466.8 Ų66.814%0.14436%0.362CS..THydrogen-bonded Turntrans72.522176.300000114.6F158 A159 K160 L205 H206F158-G162 PolarHBondContact O-N 2.88Å; A159-G162 PolarHBondContact O-N 2.9Å; K160-G162 VanDerWaalsContact C-N 3.3Å; G162-L205 WeakPolarHBondContact O-CA 3.3Å; G162-H206 PolarHBondContact O-N 3.23Å
163L94.5Very high91.6Very high32 Ų3267.9 Ų67.917%0.16835%0.354CS..EExtended strand (participates in β ladder)trans-89.5114.4171.7-165.779.4000109.7F158 H161 Y203 K204 L205 I210F158-L163 CarbonylContact C-O 3.59Å; F158-L163 HydrophobicContact CB-CB 4.02Å; F158-L163 HydrophobicContact CB-CD2 4.12Å; F158-L163 HydrophobicContact CD1-CD2 3.71Å; F158-L163 HydrophobicContact CD2-CD2 3.91Å; F158-L163 HydrophobicContact CE1-CD2 4.01Å; F158-L163 HydrophobicContact CE2-CD2 4.19Å; F158-L163 HydrophobicContact CG-CB 4.45Å; F158-L163 HydrophobicContact CG-CD2 3.66Å; F158-L163 HydrophobicContact CZ-CD2 4.23Å; F158-L163 WeakPolarHBondContact O-CA 3.42Å; F158-L163 WeakPolarHBondContact O-CB 3.38Å; F158-L163 PolarHBondContact O-N 3.35Å; H161-L163 VanDerWaalsContact C-N 3.32Å; H161-L163 PolarHBondContact O-N 2.88Å; L163-Y203 HydrophobicContact CD2-CD1 3.84Å; L163-Y203 HydrophobicContact CD2-CE1 4.39Å; L163-Y203 HydrophobicContact CG-CD1 4.01Å; L163-K204 CarbonylContact C-O 3.57Å; L163-K204 VanDerWaalsContact CA-O 3.31Å; L163-K204 WeakPolarHBondContact CA-O 3.44Å; L163-L205 HydrophobicContact CB-CD1 4.43Å; L163-L205 HydrophobicContact CD1-CB 4.05Å; L163-L205 HydrophobicContact CD1-CD1 4.21Å; L163-I210 HydrophobicContact CD1-CD1 4.02Å
164E92.3Very high91.5Very high123 Ų12367.9 Ų67.958%0.57536%0.356SS*.EExtended strand (participates in β ladder)trans-107.7132.7-177.5-67.3176.7-175.300110.6Y203 K204E164-Y203 WeakPolarHBondContact O-CA 3.37Å; E164-K204 HydrophobicContact CB-CB 4.5Å; E164-K204 PolarHBondContact N-O 3.36Å; E164-K204 PolarHBondContact O-N 2.87Å
165K92.4Very high91.3Very high104 Ų10469.6 Ų69.645%0.45237%0.371SS..EExtended strand (participates in β ladder)trans-82.2129.1176.1-173.4-177.6-179.9179.80109.7T167 D201 Y203K165-T167 HydrophobicContact CD-CG2 4.37Å; K165-T167 HydrophobicContact CG-CG2 4.37Å; K165-D201 HydrophobicContact CD-CB 4.49Å; K165-D201 WeakPolarHBondContact CE-OD1 3.37Å; K165-D201 WeakPolarHBondContact CE-OD2 3.37Å; K165-D201 HydrophobicContact CG-CB 4.22Å; K165-D201 VanDerWaalsContact NZ-CG 3.32Å; K165-D201 IonicContact NZ-OD1 2.74Å; K165-D201 IonicContact NZ-OD2 2.71Å; K165-D201 PolarHBondContact NZ-OD2 3.47Å; K165-Y203 HydrophobicContact CB-CD1 4.41Å; K165-Y203 HydrophobicContact CB-CE1 4.06Å; K165-Y203 HydrophobicContact CG-CE1 4.14Å
166M89.8Confident91.2Very high18 Ų1871.5 Ų71.59%0.08938%0.381CS..EExtended strand (participates in β ladder)trans-101.5121.6177.4-57.6172.665.400110.4E177 G202 K204M166-E177 HydrophobicContact CE-CB 3.68Å; M166-E177 HydrophobicContact CE-CG 4Å; M166-E177 WeakPolarHBondContact CE-OE2 3.49Å; M166-G202 PolarHBondContact N-O 3.35Å; M166-G202 PolarHBondContact O-N 2.83Å; M166-K204 HydrophobicContact CE-CD 3.99Å; M166-K204 HydrophobicContact CG-CD 3.88Å; M166-K204 HydrophobicContact CG-CG 4.17Å; M166-K204 HydrophobicContact SD-CB 4.36Å; M166-K204 HydrophobicContact SD-CD 3.42Å; M166-K204 WeakPolarHBondContact SD-CD 3.3Å; M166-K204 WeakPolarHBondContact SD-CE 3.39Å; M166-K204 HydrophobicContact SD-CG 3.46Å; M166-K204 WeakPolarHBondContact SD-CG 3.43Å
167T87.6Confident91.1Very high79 Ų7971.7 Ų71.749%0.48538%0.376SS..  trans-125.878.3175.252.80000109.6K165 I169K165-T167 HydrophobicContact CD-CG2 4.37Å; K165-T167 HydrophobicContact CG-CG2 4.37Å; T167-I169 PolarHBondContact O-N 2.85Å
168P85.8Confident91.1Very high4 Ų472.1 Ų72.13%0.02638%0.378CS..  trans-78.544.5-171.334.9-40.5000112.9G170 D171 H178 V195 V198 A213 V215P168-G170 PolarHBondContact O-N 2.87Å; P168-D171 WeakPolarHBondContact CA-OD2 3.38Å; P168-D171 HydrophobicContact CB-CB 4.12Å; P168-D171 PolarHBondContact O-N 3.48Å; P168-H178 VanDerWaalsContact CB-CE1 3.49Å; P168-H178 WeakPolarHBondContact CB-CE1 3.4Å; P168-H178 WeakPolarHBondContact CB-NE2 3.38Å; P168-H178 VanDerWaalsContact CG-NE2 3.31Å; P168-H178 WeakPolarHBondContact CG-NE2 3.44Å; P168-V195 WeakPolarHBondContact O-CB 3.29Å; P168-V195 WeakPolarHBondContact O-CG1 3.44Å; P168-V198 HydrophobicContact CG-CG2 3.95Å; P168-A213 HydrophobicContact CG-CB 3.89Å; P168-V215 HydrophobicContact CG-CG1 3.87Å
169I87.9Confident91.1Very high109 Ų10974.5 Ų74.556%0.55939%0.39SS*.THydrogen-bonded Turntrans-74.6121.1179.4-59.9171.5000108.4T167 D171 V198T167-I169 PolarHBondContact O-N 2.85Å; I169-D171 VanDerWaalsContact C-N 3.27Å; I169-D171 PolarHBondContact O-N 3.43Å; I169-V198 HydrophobicContact CD1-CG2 4.48Å; I169-V198 HydrophobicContact CG1-CB 4.31Å; I169-V198 HydrophobicContact CG1-CG2 3.59Å
170G86.5Confident91.1Very high50 Ų5074 Ų7452%0.51538%0.377SS..THydrogen-bonded Turntrans82.6-0.9-177.600000114.7P168 T194 V195P168-G170 PolarHBondContact O-N 2.87Å; G170-T194 WeakPolarHBondContact O-CG2 3.38Å; G170-V195 PolarHBondContact N-O 3.41Å
171D87.9Confident91Very high92 Ų9270.6 Ų70.649%0.49237%0.367SS..SBendtrans-84157.9174-71.2-34.3000111.7P168 I169 T194 V195P168-D171 WeakPolarHBondContact CA-OD2 3.38Å; P168-D171 HydrophobicContact CB-CB 4.12Å; P168-D171 PolarHBondContact O-N 3.48Å; I169-D171 VanDerWaalsContact C-N 3.27Å; I169-D171 PolarHBondContact O-N 3.43Å; D171-T194 WeakPolarHBondContact O-CG2 3.37Å; D171-V195 PolarHBondContact O-N 3.36Å
172K91Very high90.8Very high166 Ų16670.8 Ų70.872%0.72237%0.372SS*.BIsolated β-bridgetrans-64.8142.2173.4-69.4-177.4179179.10110.1D174K172-D174 PolarHBondContact O-N 3.12Å
173Y91.6Very high90.7Very high80 Ų8075.9 Ų75.931%0.31439%0.392SS..PPolyproline II helixtrans-65.7121.2175.7176.4-104.9000111.4P175 H178 L180 G193 V215 V217Y173-P175 HydrophobicContact CE1-CG 3.92Å; Y173-H178 HydrophobicContact CD2-CB 3.74Å; Y173-H178 HydrophobicContact CE2-CB 3.56Å; Y173-H178 WeakPolarHBondContact CE2-O 3.3Å; Y173-H178 PolarHBondContact OH-O 2.97Å; Y173-L180 HydrophobicContact CE2-CB 3.94Å; Y173-G193 PolarHBondContact N-O 3.16Å; Y173-V215 HydrophobicContact CD2-CG2 3.88Å; Y173-V215 HydrophobicContact CE2-CG2 3.99Å; Y173-V217 HydrophobicContact CD2-CG2 3.65Å; Y173-V217 HydrophobicContact CE2-CG2 4.46Å; Y173-V217 HydrophobicContact CG-CG2 3.91Å
174D91.7Very high90.4Very high56 Ų5676.6 Ų76.630%0.29940%0.398SS..  trans-116119.2171.9-175.1-13.3000110.1K172 H176 E177 H178K172-D174 PolarHBondContact O-N 3.12Å; D174-H176 PolarHBondContact O-N 2.97Å; D174-H176 IonicContact OD1-CD2 2.68Å; D174-H176 IonicContact OD1-CG 3.94Å; D174-H176 PolarHBondContact OD1-N 3.25Å; D174-E177 HydrophobicContact CB-CB 4.31Å; D174-E177 PolarHBondContact O-N 3.49Å; D174-H178 PolarHBondContact N-ND1 3.34Å; D174-H178 VanDerWaalsContact O-CB 3.3Å; D174-H178 WeakPolarHBondContact O-CB 3.31Å; D174-H178 PolarHBondContact O-N 3.35Å
175P90.8Very high90.1Very high87 Ų8775 Ų7557%0.56540%0.398SS*.THydrogen-bonded Turntrans-58.4-23.3176.5-23.933.3000115.7Y173 E177Y173-P175 HydrophobicContact CE1-CG 3.92Å; P175-E177 VanDerWaalsContact C-N 3.33Å
176H91.6Very high89.5Confident152 Ų15271.6 Ų71.670%0.70439%0.389SS*.THydrogen-bonded Turntrans-80.1-18.5180-66.1-61.3000113.4D174 L212D174-H176 PolarHBondContact O-N 2.97Å; D174-H176 IonicContact OD1-CD2 2.68Å; D174-H176 IonicContact OD1-CG 3.94Å; D174-H176 PolarHBondContact OD1-N 3.25Å; H176-L212 WeakPolarHBondContact O-CD2 3.23Å
177E91.5Very high88.6Confident55 Ų5572.9 Ų72.926%0.25741%0.407SS..THydrogen-bonded Turntrans-119.8-24.9-171.8-68-163.4177.900112.3M166 D174 P175 K204 L212 A213M166-E177 HydrophobicContact CE-CB 3.68Å; M166-E177 HydrophobicContact CE-CG 4Å; M166-E177 WeakPolarHBondContact CE-OE2 3.49Å; D174-E177 HydrophobicContact CB-CB 4.31Å; D174-E177 PolarHBondContact O-N 3.49Å; P175-E177 VanDerWaalsContact C-N 3.33Å; E177-K204 VanDerWaalsContact CD-CE 3.5Å; E177-K204 VanDerWaalsContact OE1-CE 3.27Å; E177-K204 WeakPolarHBondContact OE1-CE 3.47Å; E177-K204 IonicContact OE1-NZ 3.7Å; E177-K204 PolarHBondContact OE1-NZ 2.97Å; E177-K204 IonicContact OE2-NZ 3.82Å; E177-K204 PolarHBondContact OE2-NZ 3.49Å; E177-L212 WeakPolarHBondContact O-CA 3.47Å; E177-A213 PolarHBondContact O-N 2.86Å
178H93.9Very high87.5Confident8 Ų876.9 Ų76.94%0.03743%0.431CS..EExtended strand (participates in β ladder)trans-124.4130.6-171.5-51.7150.6000112.5P168 Y173 D174 A213 V215P168-H178 VanDerWaalsContact CB-CE1 3.49Å; P168-H178 WeakPolarHBondContact CB-CE1 3.4Å; P168-H178 WeakPolarHBondContact CB-NE2 3.38Å; P168-H178 VanDerWaalsContact CG-NE2 3.31Å; P168-H178 WeakPolarHBondContact CG-NE2 3.44Å; Y173-H178 HydrophobicContact CD2-CB 3.74Å; Y173-H178 HydrophobicContact CE2-CB 3.56Å; Y173-H178 WeakPolarHBondContact CE2-O 3.3Å; Y173-H178 PolarHBondContact OH-O 2.97Å; D174-H178 PolarHBondContact N-ND1 3.34Å; D174-H178 VanDerWaalsContact O-CB 3.3Å; D174-H178 WeakPolarHBondContact O-CB 3.31Å; D174-H178 PolarHBondContact O-N 3.35Å; H178-A213 CarbonylContact C-O 3.52Å; H178-A213 WeakPolarHBondContact CA-O 3.35Å; H178-V215 HydrophobicContact CB-CG1 4.22Å; H178-V215 HydrophobicContact CB-CG2 3.73Å
179E93.9Very high86.8Confident91 Ų9180.6 Ų80.643%0.42547%0.47SS..EExtended strand (participates in β ladder)trans-94.4116.3168.4-177178.4-15800108.8V181 L212 A213 Q214 V215E179-V181 PolarHBondContact O-N 3.46Å; E179-L212 HydrophobicContact CB-CB 3.98Å; E179-L212 HydrophobicContact CB-CD1 4.39Å; E179-A213 PolarHBondContact N-O 3.22Å; E179-Q214 HydrophobicContact CB-CG 4.37Å; E179-Q214 WeakPolarHBondContact O-CA 3.48Å; E179-Q214 WeakPolarHBondContact OE2-CG 3.29Å; E179-Q214 PolarHBondContact OE2-NE2 2.99Å; E179-V215 PolarHBondContact O-N 3Å
180L92.6Very high86.2Confident62 Ų6278.1 Ų78.133%0.32546%0.46SS..EExtended strand (participates in β ladder)trans-76.9118.7178.4176.368.6000110.3Y173 C182 H183 V217Y173-L180 HydrophobicContact CE2-CB 3.94Å; L180-C182 WeakPolarHBondContact CD1-O 3.39Å; L180-H183 WeakPolarHBondContact CD2-CE1 3.21Å; L180-V217 HydrophobicContact CD1-CB 3.64Å; L180-V217 HydrophobicContact CD1-CG2 3.49Å; L180-V217 VanDerWaalsContact CD1-CG2 3.49Å
181V92.6Very high86Confident59 Ų5982.4 Ų82.436%0.35847%0.467SS..EExtended strand (participates in β ladder)trans-92.7-48.8177.5179.80000111.6E179 Q214 V215E179-V181 PolarHBondContact O-N 3.46Å; V181-Q214 HydrophobicContact CG2-CB 3.68Å; V181-Q214 HydrophobicContact CG2-CG 4.13Å; V181-V215 PolarHBondContact N-O 2.9Å
182C89.5Confident85.8Confident46 Ų4681.9 Ų81.931%0.31147%0.468SS..EExtended strand (participates in β ladder)trans-153.4163.7-179.163.50000111.8L180 E216 V217L180-C182 WeakPolarHBondContact CD1-O 3.39Å; C182-E216 WeakPolarHBondContact O-CA 3.48Å; C182-E216 WeakPolarHBondContact SG-CG 3.25Å; C182-E216 PolarHBondContact SG-OE1 3.39Å; C182-E216 VanDerWaalsContact SG-OE1 3.35Å; C182-V217 PolarHBondContact O-N 2.98Å; C182-V217 VanDerWaalsContact O-N 3.11Å
183H90.3Very high85.6Confident121 Ų12175.9 Ų75.956%0.5645%0.453SS*.EExtended strand (participates in β ladder)trans-98.3133.9171.5-67.4-59.2000109.8L180 V217 V219L180-H183 WeakPolarHBondContact CD2-CE1 3.21Å; H183-V217 WeakPolarHBondContact CA-O 3.37Å; H183-V219 HydrophobicContact CB-CB 4.4Å; H183-V219 HydrophobicContact CB-CG2 3.64Å; H183-V219 VanDerWaalsContact CG-CG2 3.47Å; H183-V219 WeakPolarHBondContact ND1-CG2 3.34Å
184V88.2Confident85.6Confident47 Ų4772.6 Ų72.629%0.28544%0.442SS..EExtended strand (participates in β ladder)trans-116.8138.4178178.80000108A186 E216 V217 A218 V219V184-A186 PolarHBondContact O-N 3.29Å; V184-E216 HydrophobicContact CG2-CB 3.8Å; V184-E216 WeakPolarHBondContact CG2-OE2 3.43Å; V184-V217 PolarHBondContact N-O 2.92Å; V184-A218 CarbonylContact O-C 3.57Å; V184-A218 WeakPolarHBondContact O-CA 3.42Å; V184-V219 PolarHBondContact O-N 3.28Å
185P85.5Confident85.5Confident89 Ų8970 Ų7058%0.57843%0.428SS*.EExtended strand (participates in β ladder)trans-57.7130.7173.923.9-33.7000109.8G187P185-G187 PolarHBondContact O-N 2.9Å
186A78.6Confident85.5Confident32 Ų3267.6 Ų67.626%0.26442%0.415SS..  trans-56.3115.9178.600000110.6V184 A218 V219V184-A186 PolarHBondContact O-N 3.29Å; A186-A218 HydrophobicContact CB-CB 4.14Å; A186-V219 PolarHBondContact N-O 3.02Å
187G72.3Confident85.4Confident45 Ų4564.7 Ų64.746%0.46440%0.404SS..  trans-68.7167.3170.700000111.4P185 G189 V190P185-G187 PolarHBondContact O-N 2.9Å; G187-G189 PolarHBondContact O-N 3.41Å; G187-V190 PolarHBondContact O-N 3.49Å
188V64.3Low85.4Confident164 Ų16463 Ų6399%0.99440%0.398SS*.THydrogen-bonded Turntrans-59.9112.4179-177.20000109.5
189G69.8Low85.3Confident82 Ų8271.1 Ų71.185%0.84543%0.428SS*.THydrogen-bonded Turntrans103.2-1.8176.400000116.6G187G187-G189 PolarHBondContact O-N 3.41Å
190V76.8Confident85.2Confident57 Ų5770 Ų7035%0.34542%0.423SS..PPolyproline II helixtrans-100.4126.5176.9-175.10000110.5G187 A218G187-V190 PolarHBondContact O-N 3.49Å; V190-A218 HydrophobicContact CB-CB 4.48Å; V190-A218 HydrophobicContact CG1-CB 3.66Å
191Q81Confident85.2Confident140 Ų14069.3 Ų69.365%0.65442%0.419SS*.PPolyproline II helixtrans-71.2137.9177.6-67.9-173.60.700111T194Q191-T194 WeakPolarHBondContact O-CB 3.36Å; Q191-T194 PolarHBondContact O-N 2.99Å; Q191-T194 PolarHBondContact O-OG1 2.9Å
192P85.4Confident85.3Confident81 Ų8166.5 Ų66.553%0.52640%0.402SS..THydrogen-bonded Turntrans-60.5140.2174.526.1-33.1000110.6A218 E220P192-A218 WeakPolarHBondContact CA-O 3.28Å; P192-E220 HydrophobicContact CB-CB 4.39Å
193G85.6Confident85.6Confident39 Ų3967.1 Ų67.140%0.40240%0.399SS..THydrogen-bonded Turntrans85.55.5-174.300000114.9Y173 A218Y173-G193 PolarHBondContact N-O 3.16Å; G193-A218 PolarHBondContact N-O 3.24Å
194T91.2Very high85.7Confident12 Ų1263 Ų637%0.07438%0.379CS..BIsolated β-bridgetrans-99.9149.6176.7-46.60000110.4G170 D171 Q191 A196 V217 A218G170-T194 WeakPolarHBondContact O-CG2 3.38Å; D171-T194 WeakPolarHBondContact O-CG2 3.37Å; Q191-T194 WeakPolarHBondContact O-CB 3.36Å; Q191-T194 PolarHBondContact O-N 2.99Å; Q191-T194 PolarHBondContact O-OG1 2.9Å; T194-A196 PolarHBondContact O-N 3.39Å; T194-V217 WeakPolarHBondContact O-CA 3.23Å; T194-A218 PolarHBondContact O-N 3.08Å
195V91.1Very high86.1Confident1 Ų164 Ų641%0.00638%0.382CS..EExtended strand (participates in β ladder)trans-69.8117.3173.1172.90000109.9P168 G170 D171 V198 V215P168-V195 WeakPolarHBondContact O-CB 3.29Å; P168-V195 WeakPolarHBondContact O-CG1 3.44Å; G170-V195 PolarHBondContact N-O 3.41Å; D171-V195 PolarHBondContact O-N 3.36Å; V195-V198 HydrophobicContact CG1-CG2 4.08Å; V195-V215 HydrophobicContact CB-CB 4.4Å; V195-V215 HydrophobicContact CB-CG1 4.46Å; V195-V215 HydrophobicContact CG1-CB 3.7Å; V195-V215 HydrophobicContact CG1-CG1 3.66Å; V195-V215 HydrophobicContact CG2-CB 3.92Å; V195-V215 HydrophobicContact CG2-CG1 3.95Å; V195-V215 HydrophobicContact CG2-CG2 4.03Å
196A89.3Confident86.4Confident37 Ų3766.9 Ų66.931%0.30639%0.388SS..EExtended strand (participates in β ladder)trans-86.8-42.5179.300000112.1T194 E216 A218T194-A196 PolarHBondContact O-N 3.39Å; A196-E216 PolarHBondContact N-O 3.05Å; A196-A218 HydrophobicContact CB-CB 4.35Å
197L89.6Confident86.9Confident90 Ų9068.1 Ų68.147%0.47140%0.404SS..EExtended strand (participates in β ladder)trans-142.6145-178.6-173.467.8000110.3V215 E216L197-V215 WeakPolarHBondContact O-CA 3.41Å; L197-E216 HydrophobicContact CB-CB 4.25Å; L197-E216 HydrophobicContact CB-CG 4.29Å; L197-E216 PolarHBondContact N-O 2.83Å; L197-E216 PolarHBondContact O-N 3.09Å
198V91.8Very high87.9Confident21 Ų2175.6 Ų75.613%0.12742%0.418CS..EExtended strand (participates in β ladder)trans-105.7114.6170.9179.50000107.5P168 I169 V195 Q200 Q214 V215P168-V198 HydrophobicContact CG-CG2 3.95Å; I169-V198 HydrophobicContact CD1-CG2 4.48Å; I169-V198 HydrophobicContact CG1-CB 4.31Å; I169-V198 HydrophobicContact CG1-CG2 3.59Å; V195-V198 HydrophobicContact CG1-CG2 4.08Å; V198-Q200 WeakPolarHBondContact CG1-O 3.32Å; V198-Q214 CarbonylContact C-O 3.59Å; V198-Q214 WeakPolarHBondContact CA-O 3.4Å; V198-V215 HydrophobicContact CG2-CG1 4.24Å
199R91.4Very high89.3Confident177 Ų17769.8 Ų69.867%0.66838%0.383SS*.EExtended strand (participates in β ladder)trans-79.7-34176.1-176.7173.2-179.8175.9-0.4111.4Q214R199-Q214 HydrophobicContact CB-CB 4.45Å; R199-Q214 PolarHBondContact N-O 3.17Å
200Q92.6Very high90.4Very high67 Ų6771.2 Ų71.231%0.31337%0.37SS..EExtended strand (participates in β ladder)trans-145.4128.4178.6-174.9163.658.700110.3V198 R211 A213 Q214V198-Q200 WeakPolarHBondContact CG1-O 3.32Å; Q200-R211 VanDerWaalsContact NE2-CZ 3.34Å; Q200-A213 WeakPolarHBondContact O-CA 3.26Å; Q200-Q214 HydrophobicContact CB-CB 3.91Å; Q200-Q214 HydrophobicContact CB-CG 4.16Å; Q200-Q214 PolarHBondContact N-O 3.4Å; Q200-Q214 PolarHBondContact O-N 3.18Å
201D92.9Very high91.3Very high48 Ų4873.8 Ų73.826%0.25737%0.374SS..  trans-66.6141.4-177.9-56.5-55.7000112.1K165 Y203K165-D201 HydrophobicContact CD-CB 4.49Å; K165-D201 WeakPolarHBondContact CE-OD1 3.37Å; K165-D201 WeakPolarHBondContact CE-OD2 3.37Å; K165-D201 HydrophobicContact CG-CB 4.22Å; K165-D201 VanDerWaalsContact NZ-CG 3.32Å; K165-D201 IonicContact NZ-OD1 2.74Å; K165-D201 IonicContact NZ-OD2 2.71Å; K165-D201 PolarHBondContact NZ-OD2 3.47Å; D201-Y203 HydrophobicContact CB-CE2 4.45Å
202G94Very high91.9Very high0 Ų070.3 Ų70.30%036%0.359CS..EExtended strand (participates in β ladder)trans-86.3163171.900000111.7M166 R211M166-G202 PolarHBondContact N-O 3.35Å; M166-G202 PolarHBondContact O-N 2.83Å; G202-R211 CarbonylContact C-O 3.37Å; G202-R211 VanDerWaalsContact CA-O 3.22Å; G202-R211 WeakPolarHBondContact CA-O 3.32Å
203Y95.1Very high92.4Very high59 Ų5966.5 Ų66.523%0.23133%0.334CS..EExtended strand (participates in β ladder)trans-138.3136.2176.1-69.9-91.2000111.7F158 L163 E164 K165 D201 I210 R211F158-Y203 HydrophobicContact CD2-CE1 4.13Å; F158-Y203 HydrophobicContact CE2-CE1 4.12Å; L163-Y203 HydrophobicContact CD2-CD1 3.84Å; L163-Y203 HydrophobicContact CD2-CE1 4.39Å; L163-Y203 HydrophobicContact CG-CD1 4.01Å; E164-Y203 WeakPolarHBondContact O-CA 3.37Å; K165-Y203 HydrophobicContact CB-CD1 4.41Å; K165-Y203 HydrophobicContact CB-CE1 4.06Å; K165-Y203 HydrophobicContact CG-CE1 4.14Å; D201-Y203 HydrophobicContact CB-CE2 4.45Å; Y203-I210 PolarHBondContact O-N 3.27Å; Y203-R211 PolarHBondContact N-O 2.92Å; Y203-R211 PolarHBondContact O-N 3.31Å
204K94.4Very high92.8Very high36 Ų3666.9 Ų66.916%0.15733%0.326CS..EExtended strand (participates in β ladder)trans-113.9136.8174.2-86163.5174.4176.70110.1L163 E164 M166 E177 R208L163-K204 CarbonylContact C-O 3.57Å; L163-K204 VanDerWaalsContact CA-O 3.31Å; L163-K204 WeakPolarHBondContact CA-O 3.44Å; E164-K204 HydrophobicContact CB-CB 4.5Å; E164-K204 PolarHBondContact N-O 3.36Å; E164-K204 PolarHBondContact O-N 2.87Å; M166-K204 HydrophobicContact CE-CD 3.99Å; M166-K204 HydrophobicContact CG-CD 3.88Å; M166-K204 HydrophobicContact CG-CG 4.17Å; M166-K204 HydrophobicContact SD-CB 4.36Å; M166-K204 HydrophobicContact SD-CD 3.42Å; M166-K204 WeakPolarHBondContact SD-CD 3.3Å; M166-K204 WeakPolarHBondContact SD-CE 3.39Å; M166-K204 HydrophobicContact SD-CG 3.46Å; M166-K204 WeakPolarHBondContact SD-CG 3.43Å; E177-K204 VanDerWaalsContact CD-CE 3.5Å; E177-K204 VanDerWaalsContact OE1-CE 3.27Å; E177-K204 WeakPolarHBondContact OE1-CE 3.47Å; E177-K204 IonicContact OE1-NZ 3.7Å; E177-K204 PolarHBondContact OE1-NZ 2.97Å; E177-K204 IonicContact OE2-NZ 3.82Å; E177-K204 PolarHBondContact OE2-NZ 3.49Å; K204-R208 CarbonylContact C-O 3.58Å; K204-R208 WeakPolarHBondContact CA-O 3.3Å
205L94.7Very high93Very high66 Ų6666.3 Ų66.335%0.34632%0.322SS..EExtended strand (participates in β ladder)trans-113.1116.3170.8179.275.3000108.9H161 G162 L163 G207 R208 I210H161-L205 WeakPolarHBondContact O-CD1 3.37Å; G162-L205 WeakPolarHBondContact O-CA 3.3Å; L163-L205 HydrophobicContact CB-CD1 4.43Å; L163-L205 HydrophobicContact CD1-CB 4.05Å; L163-L205 HydrophobicContact CD1-CD1 4.21Å; L205-G207 PolarHBondContact O-N 3.48Å; L205-G207 VanDerWaalsContact O-N 3.15Å; L205-R208 PolarHBondContact N-O 3.45Å; L205-R208 WeakPolarHBondContact O-CB 3.48Å; L205-R208 PolarHBondContact O-N 2.87Å; L205-I210 HydrophobicContact CB-CD1 3.35Å; L205-I210 HydrophobicContact CB-CG1 3.86Å; L205-I210 HydrophobicContact CD2-CD1 3.88Å; L205-I210 HydrophobicContact CG-CD1 4.17Å
206H91.8Very high93Very high150 Ų15068.1 Ų68.169%0.69433%0.331SS*.THydrogen-bonded Turntrans47.442.8-178.6-59.5-58.9000113.1H161 G162 R208H161-H206 PolarHBondContact O-NE2 2.96Å; G162-H206 PolarHBondContact O-N 3.23Å; H206-R208 VanDerWaalsContact C-N 3.31Å; H206-R208 PolarHBondContact O-N 3.49Å
207G89.8Confident93.1Very high59 Ų5966.8 Ų66.861%0.60832%0.319SS*.THydrogen-bonded Turntrans82-6.2-178.500000115.8L205L205-G207 PolarHBondContact O-N 3.48Å; L205-G207 VanDerWaalsContact O-N 3.15Å
208R93.8Very high93.2Very high202 Ų20262.5 Ų62.576%0.76230%0.297SS*.EExtended strand (participates in β ladder)trans-95.9123.6174.2-175.5176.7178.8174.70.4111K204 L205 H206 I210K204-R208 CarbonylContact C-O 3.58Å; K204-R208 WeakPolarHBondContact CA-O 3.3Å; L205-R208 PolarHBondContact N-O 3.45Å; L205-R208 WeakPolarHBondContact O-CB 3.48Å; L205-R208 PolarHBondContact O-N 2.87Å; H206-R208 VanDerWaalsContact C-N 3.31Å; H206-R208 PolarHBondContact O-N 3.49Å; R208-I210 PolarHBondContact O-N 3.22Å
209T93.3Very high93.1Very high41 Ų4164.4 Ų64.425%0.25231%0.308SS..EExtended strand (participates in β ladder)trans-64.3120.6175.7-47.50000110.8L212T209-L212 HydrophobicContact CG2-CD2 4.25Å
210I93.3Very high92.6Very high112 Ų11263 Ų6357%0.57431%0.309SS*.EExtended strand (participates in β ladder)trans-93.2-41.9172.3-63.6-174.4000109.8L163 Y203 L205 R208L163-I210 HydrophobicContact CD1-CD1 4.02Å; Y203-I210 PolarHBondContact O-N 3.27Å; L205-I210 HydrophobicContact CB-CD1 3.35Å; L205-I210 HydrophobicContact CB-CG1 3.86Å; L205-I210 HydrophobicContact CD2-CD1 3.88Å; L205-I210 HydrophobicContact CG-CD1 4.17Å; R208-I210 PolarHBondContact O-N 3.22Å
211R94.5Very high91.7Very high112 Ų11263.6 Ų63.642%0.42332%0.32SS..EExtended strand (participates in β ladder)trans-132.9123.5-179.1-172.7-169.6-168.6133.522.4108.9Q200 G202 Y203Q200-R211 VanDerWaalsContact NE2-CZ 3.34Å; G202-R211 CarbonylContact C-O 3.37Å; G202-R211 VanDerWaalsContact CA-O 3.22Å; G202-R211 WeakPolarHBondContact CA-O 3.32Å; Y203-R211 PolarHBondContact N-O 2.92Å; Y203-R211 PolarHBondContact O-N 3.31Å
212L94.8Very high90.3Very high67 Ų6770 Ų7035%0.35135%0.349SS..  trans-66.1142.6172.8-64157.9000109.6H176 E177 E179 T209H176-L212 WeakPolarHBondContact O-CD2 3.23Å; E177-L212 WeakPolarHBondContact O-CA 3.47Å; E179-L212 HydrophobicContact CB-CB 3.98Å; E179-L212 HydrophobicContact CB-CD1 4.39Å; T209-L212 HydrophobicContact CG2-CD2 4.25Å
213A95.4Very high88.4Confident0 Ų080.9 Ų80.90%039%0.39CS..EExtended strand (participates in β ladder)trans-74.4130171.400000109.1P168 E177 H178 E179 Q200 V215P168-A213 HydrophobicContact CG-CB 3.89Å; E177-A213 PolarHBondContact O-N 2.86Å; H178-A213 CarbonylContact C-O 3.52Å; H178-A213 WeakPolarHBondContact CA-O 3.35Å; E179-A213 PolarHBondContact N-O 3.22Å; Q200-A213 WeakPolarHBondContact O-CA 3.26Å; A213-V215 HydrophobicContact CB-CG1 4.13Å; A213-V215 PolarHBondContact O-N 2.93Å
214Q94.6Very high86.5Confident47 Ų4789.8 Ų89.822%0.2242%0.423CS..EExtended strand (participates in β ladder)trans-83.4114.7174.9-69.2-169.6-13.200109.3E179 V181 V198 R199 Q200E179-Q214 HydrophobicContact CB-CG 4.37Å; E179-Q214 WeakPolarHBondContact O-CA 3.48Å; E179-Q214 WeakPolarHBondContact OE2-CG 3.29Å; E179-Q214 PolarHBondContact OE2-NE2 2.99Å; V181-Q214 HydrophobicContact CG2-CB 3.68Å; V181-Q214 HydrophobicContact CG2-CG 4.13Å; V198-Q214 CarbonylContact C-O 3.59Å; V198-Q214 WeakPolarHBondContact CA-O 3.4Å; R199-Q214 HydrophobicContact CB-CB 4.45Å; R199-Q214 PolarHBondContact N-O 3.17Å; Q200-Q214 HydrophobicContact CB-CB 3.91Å; Q200-Q214 HydrophobicContact CB-CG 4.16Å; Q200-Q214 PolarHBondContact N-O 3.4Å; Q200-Q214 PolarHBondContact O-N 3.18Å
215V94Very high84Confident0 Ų099.5 Ų99.50%048%0.476CS..EExtended strand (participates in β ladder)trans-122.9150.7-169.5-59.80000112.2P168 Y173 H178 E179 V181 V195 L197 V198 A213 V217P168-V215 HydrophobicContact CG-CG1 3.87Å; Y173-V215 HydrophobicContact CD2-CG2 3.88Å; Y173-V215 HydrophobicContact CE2-CG2 3.99Å; H178-V215 HydrophobicContact CB-CG1 4.22Å; H178-V215 HydrophobicContact CB-CG2 3.73Å; E179-V215 PolarHBondContact O-N 3Å; V181-V215 PolarHBondContact N-O 2.9Å; V195-V215 HydrophobicContact CB-CB 4.4Å; V195-V215 HydrophobicContact CB-CG1 4.46Å; V195-V215 HydrophobicContact CG1-CB 3.7Å; V195-V215 HydrophobicContact CG1-CG1 3.66Å; V195-V215 HydrophobicContact CG2-CB 3.92Å; V195-V215 HydrophobicContact CG2-CG1 3.95Å; V195-V215 HydrophobicContact CG2-CG2 4.03Å; L197-V215 WeakPolarHBondContact O-CA 3.41Å; V198-V215 HydrophobicContact CG2-CG1 4.24Å; A213-V215 HydrophobicContact CB-CG1 4.13Å; A213-V215 PolarHBondContact O-N 2.93Å; V215-V217 HydrophobicContact CG2-CG2 4.13Å
216E92.2Very high83.4Confident39 Ų39101.2 Ų101.218%0.18248%0.482CS..EExtended strand (participates in β ladder)trans-105.7122.5168.3-49.1-168161.400107.9C182 V184 A196 L197C182-E216 WeakPolarHBondContact O-CA 3.48Å; C182-E216 WeakPolarHBondContact SG-CG 3.25Å; C182-E216 PolarHBondContact SG-OE1 3.39Å; C182-E216 VanDerWaalsContact SG-OE1 3.35Å; V184-E216 HydrophobicContact CG2-CB 3.8Å; V184-E216 WeakPolarHBondContact CG2-OE2 3.43Å; A196-E216 PolarHBondContact N-O 3.05Å; L197-E216 HydrophobicContact CB-CB 4.25Å; L197-E216 HydrophobicContact CB-CG 4.29Å; L197-E216 PolarHBondContact N-O 2.83Å; L197-E216 PolarHBondContact O-N 3.09Å
217V91.7Very high83Confident9 Ų998.6 Ų98.66%0.05547%0.471CS..EExtended strand (participates in β ladder)trans-100.3133.2-175.4173.30000110.1Y173 L180 C182 H183 V184 T194 V215 V219Y173-V217 HydrophobicContact CD2-CG2 3.65Å; Y173-V217 HydrophobicContact CE2-CG2 4.46Å; Y173-V217 HydrophobicContact CG-CG2 3.91Å; L180-V217 HydrophobicContact CD1-CB 3.64Å; L180-V217 HydrophobicContact CD1-CG2 3.49Å; L180-V217 VanDerWaalsContact CD1-CG2 3.49Å; C182-V217 PolarHBondContact O-N 2.98Å; C182-V217 VanDerWaalsContact O-N 3.11Å; H183-V217 WeakPolarHBondContact CA-O 3.37Å; V184-V217 PolarHBondContact N-O 2.92Å; T194-V217 WeakPolarHBondContact O-CA 3.23Å; V215-V217 HydrophobicContact CG2-CG2 4.13Å; V217-V219 PolarHBondContact O-N 2.93Å
218A91.3Very high82.6Confident1 Ų1100.8 Ų100.81%0.00846%0.463CS..EExtended strand (participates in β ladder)trans-66.7124.2174.300000110.1V184 A186 V190 P192 G193 T194 A196V184-A218 CarbonylContact O-C 3.57Å; V184-A218 WeakPolarHBondContact O-CA 3.42Å; A186-A218 HydrophobicContact CB-CB 4.14Å; V190-A218 HydrophobicContact CB-CB 4.48Å; V190-A218 HydrophobicContact CG1-CB 3.66Å; P192-A218 WeakPolarHBondContact CA-O 3.28Å; G193-A218 PolarHBondContact N-O 3.24Å; T194-A218 PolarHBondContact O-N 3.08Å; A196-A218 HydrophobicContact CB-CB 4.35Å
219V88.6Confident81.9Confident61 Ų6194.9 Ų94.937%0.3745%0.446SS..EExtended strand (participates in β ladder)trans-115.6146.6172.4-175.10000109.1H183 V184 A186 V217 S221H183-V219 HydrophobicContact CB-CB 4.4Å; H183-V219 HydrophobicContact CB-CG2 3.64Å; H183-V219 VanDerWaalsContact CG-CG2 3.47Å; H183-V219 WeakPolarHBondContact ND1-CG2 3.34Å; V184-V219 PolarHBondContact O-N 3.28Å; A186-V219 PolarHBondContact N-O 3.02Å; V217-V219 PolarHBondContact O-N 2.93Å; V219-S221 PolarHBondContact O-N 2.82Å
220E82.2Confident81.2Confident147 Ų14798.3 Ų98.369%0.68746%0.458SS*.  trans-59.7125.8173.7-168.4164.7-158.400109.9P192 Q222P192-E220 HydrophobicContact CB-CB 4.39Å; E220-Q222 PolarHBondContact O-N 3.43Å
221S72.8Confident80.4Confident79 Ų7997.3 Ų97.355%0.55245%0.45SS*.  trans-71.8100-177.852.10000109.6V219 R223V219-S221 PolarHBondContact O-N 2.82Å; S221-R223 PolarHBondContact O-N 2.97Å
222Q63.5Low79.4Confident183 Ų18396.3 Ų96.386%0.85545%0.452SS*.  trans-67.198.6168.2-74-177.1-18.600108.3E220 R224E220-Q222 PolarHBondContact O-N 3.43Å; Q222-R224 PolarHBondContact O-N 3.28Å
223R54.9Low78.2Confident229 Ų22998.5 Ų98.586%0.86446%0.46SS*.  trans-58.5104.6162.8-85.4-177.6175.1171.9-1107S221 L225S221-R223 PolarHBondContact O-N 2.97Å; R223-L225 PolarHBondContact O-N 3.05Å; R223-L225 VanDerWaalsContact O-N 3.1Å
224R54.8Low76.8Confident246 Ų246106.8 Ų106.893%0.92850%0.498SS*.  trans-61.6113164.6-76.6-172.4179.7-175.50.6106.7Q222Q222-R224 PolarHBondContact O-N 3.28Å
225L41.2Very low75.2Confident240 Ų240112.2 Ų112.2100%1.25752%0.523SS*.  trans-66.60170.5-67.9170.1000110.3R223R223-L225 PolarHBondContact O-N 3.05Å; R223-L225 VanDerWaalsContact O-N 3.1Å

Retrieved 225 of 225 residues in 94.3 ms (Link to these results)