A0A096NY15_PAPAN Loading...

Ras-related GTP-binding protein

Guanine nucleotide-binding protein that plays a crucial role in the cellular response to amino acid availability through regulation of the mTORC1 signaling cascade.

AlphaFold DB , UniProt , Accession A0A096NY15, Species PAPAN (Papio anubis, Olive baboon), Gene RRAGD, Length 400 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M41.3Very low34.5Very low250 Ų250161.2 Ų161.2100%1.23288%0.88SS**  0100.60-80.4-177.6176.600108.8
2S37.2Very low33.9Very low127 Ų127160.7 Ų160.789%0.88888%0.875SS**  trans-156.6126.9152-152.10000107.7
3Q36.2Very low33.7Very low180 Ų180162.4 Ų162.484%0.84187%0.874SS**  trans-77.5126.7-166.2-69164-24.400110.4
4V34.5Very low33.4Very low139 Ų139161.5 Ų161.584%0.84287%0.869SS**  49.793.796.3-170.70000113.5
5L39.1Very low33.2Very low179 Ų179161.9 Ų161.994%0.93787%0.87SS**  trans-95.4133.4158.5-126.488.7000107.9
6G31.6Very low33Very low63 Ų63158.3 Ų158.365%0.64987%0.87SS**  trans-118.2165.3-177.100000115
7K31.8Very low32.8Very low206 Ų206159.7 Ų159.790%0.89687%0.869SS**  trans93.8153.2163.3-64-168176.6-173.20117.6
8P33.2Very low32.7Very low122 Ų122161.6 Ų161.679%0.79287%0.871SS**  cis-130.6-175.7-12.727-2.6000114.7
9Q31.2Very low32.5Very low185 Ų185163.1 Ų163.186%0.86487%0.872SS**PPolyproline II helixtrans-50.8156.3-175.7-69.6160.3-46.300117.5
10P32.7Very low32.3Very low126 Ų126164.1 Ų164.182%0.81887%0.871SS**PPolyproline II helixtrans-86.1145.6170.633.5-27.8000112.6
11Q30.7Very low32.2Very low196 Ų196165.3 Ų165.392%0.91687%0.872SS**PPolyproline II helixtrans-96.7145.1168-85.1176.7-41.900109.7
12D27.8Very low31.6Very low155 Ų155161.7 Ų161.783%0.82985%0.852SS**PPolyproline II helixtrans-65.4165.5178.2-54.9-64.2000114.4
13E30.6Very low31.2Very low183 Ų183163.6 Ų163.686%0.85585%0.852SS**  trans127.2126.3166.1-76176.5-168.100110.1
14D29.7Very low30.8Very low150 Ų150163.6 Ų163.680%0.80285%0.852SS**  cis-166.5117.4-10.7-100.1-25.9000103.7
15D30.1Very low30.4Very low167 Ų167165.4 Ų165.489%0.89386%0.856SS**  trans-94.9121.2171.5-83.9-38.6000108.6E17D15-E17 PolarHBondContact O-N 3.44Å
16A31Very low29.9Very low104 Ų104163.1 Ų163.186%0.8685%0.849SS**  trans-87.5100.3173.700000109.4
17E29.6Very low29.6Very low183 Ų183163.1 Ų163.186%0.85585%0.849SS**PPolyproline II helixtrans-82.1123.9165.9-66.9-179.7163.300108.9D15D15-E17 PolarHBondContact O-N 3.44Å
18E30.5Very low29.3Very low194 Ų194161.8 Ų161.891%0.90785%0.851SS**PPolyproline II helixtrans-86.2124.3169-77.4-175.2166.900109.2
19E28.9Very low29.1Very low190 Ų190160.5 Ų160.589%0.88885%0.851SS**PPolyproline II helixtrans-66.7133.3-172.5-63.5174153.900113.2
20E28.4Very low28.8Very low183 Ų183158.3 Ų158.386%0.85585%0.845SS**PPolyproline II helixtrans-86.3119.7163.8-66.5-171.9157.100109.2E22E20-E22 PolarHBondContact O-N 3.24Å
21E29.5Very low28.7Very low189 Ų189163.7 Ų163.788%0.88385%0.851SS**  trans-80.9104.7170.8-74.9-175.9162.400110.3
22E28.3Very low28.6Very low175 Ų175157.3 Ų157.382%0.81884%0.837SS**PPolyproline II helixtrans-82.7120.5160.4-66.7-173.9153.400109.3E20E20-E22 PolarHBondContact O-N 3.24Å
23D29.2Very low28.6Very low167 Ų167158.1 Ų158.189%0.89384%0.841SS**PPolyproline II helixtrans-96.3119.7170.5-101.3-22.4000110.8
24E28Very low28.3Very low180 Ų180152.5 Ų152.584%0.84183%0.832SS**PPolyproline II helixtrans-64143.8-169.9-68.2176.9134.900115.6
25L25.8Very low29Very low176 Ų176151.2 Ų151.292%0.92183%0.833SS**  trans-87.7112.1169.4-147.7116.9000109.1G27L25-G27 PolarHBondContact O-N 3.16Å
26V30.1Very low28.9Very low131 Ų131150.8 Ų150.879%0.79483%0.83SS**  trans-82.9112.4177-176.40000110.4
27G23.9Very low28.7Very low63 Ų63150.3 Ų150.365%0.64982%0.82SS**  trans-80.8154.4167.500000113.2L25L25-G27 PolarHBondContact O-N 3.16Å
28L27Very low28.6Very low179 Ų179146.2 Ų146.294%0.93781%0.812SS**  trans-129.5129.3159.4-103132.3000108.3
29A27.9Very low28.4Very low95 Ų95144.6 Ų144.679%0.78581%0.81SS**  trans-85.3141-16600000114.2
30D25.3Very low28.5Very low139 Ų139140.1 Ų140.174%0.74381%0.805SS**  42.4126.8125.9-157.616.3000121.5
31Y31Very low28.4Very low239 Ų239139 Ų13994%0.93781%0.805SS**  trans-160.6109.6135-100.2-74.4000110.8
32G28Very low28.7Very low61 Ų61135.8 Ų135.863%0.62980%0.8SS**  76.595.1120.700000122
33D27.4Very low28.5Very low172 Ų172134.7 Ų134.792%0.9280%0.8SS**  34.2124.7127.9-147.128.1000123.6
34G24Very low28.6Very low65 Ų65131.9 Ų131.967%0.6779%0.794SS**  trans96.8155.213200000121
35P45.8Very low28.5Very low124 Ų124126.4 Ų126.481%0.80579%0.786SS**  trans-116.8156.2-130.738.4-27.5000115.4
36D26.9Very low28.6Very low158 Ų158125 Ų12585%0.84579%0.785SS**  trans-171159.5140.2-124.3-35.8000115.5
37S28.1Very low28.5Very low93 Ų93128 Ų12865%0.6579%0.79SS**  trans-53.9163.1-172.248.80000122.8
38S27.6Very low28.6Very low98 Ų98133.6 Ų133.669%0.68580%0.799SS**  trans105.5113140.469.90000121
39D26.2Very low28.5Very low159 Ų159128.7 Ų128.785%0.8579%0.792SS**  trans57.1112.5132.6-55.3-30.6000121.4
40A29.5Very low28.5Very low96 Ų96130.5 Ų130.579%0.79379%0.793SS**  166.1114.310800000112.5
41D27.3Very low28.8Very low161 Ų161129.8 Ų129.886%0.86179%0.788SS**  trans-72.5147.3150.3-75.5-44.1000108.6
42P34.7Very low28.6Very low120 Ų120124.2 Ų124.278%0.77978%0.775SS**  -151.1145.594.436.6-17.2000116.9
43D25.5Very low28.9Very low152 Ų152126.8 Ų126.881%0.81377%0.769SS**  trans84.8140.6135.1-144.315.9000122.3
44S31.6Very low29Very low108 Ų108122.1 Ų122.176%0.75575%0.75SS**  trans-64.9141.1-170.456.50000116.2
45G25Very low29.2Very low66 Ų66125 Ų12568%0.6875%0.75SS**  trans-157.7110.5167.600000109.6E47G45-E47 PolarHBondContact O-N 3.35Å
46T28.3Very low28.6Very low147 Ų147123.7 Ų123.790%0.90274%0.741SS**  trans-48.4113.7171.534.90000112.6
47E27.6Very low28.8Very low192 Ų192124.8 Ų124.890%0.89774%0.739SS**  trans-93.1107.8164.7-68.7-164.3160.400109.6G45 G49G45-E47 PolarHBondContact O-N 3.35Å; E47-G49 PolarHBondContact O-N 3.18Å
48E26.3Very low29.1Very low182 Ų182123.2 Ų123.285%0.8573%0.728SS**  trans-55.7117.4164-69.1-174.3149.800109V50E48-V50 VanDerWaalsContact C-N 3.33Å; E48-V50 PolarHBondContact O-N 3.03Å
49G25.3Very low29.5Very low75 Ų75123.6 Ų123.677%0.77373%0.726SS**  trans-66.789.4176.500000111.1E47 L51E47-G49 PolarHBondContact O-N 3.18Å; G49-L51 PolarHBondContact O-N 3.47Å
50V28.2Very low30.5Very low134 Ų134120 Ų12081%0.81271%0.705SS**  trans-61.2116.2161.7-179.60000107.1E48 D52E48-V50 VanDerWaalsContact C-N 3.33Å; E48-V50 PolarHBondContact O-N 3.03Å; V50-D52 PolarHBondContact O-N 3.33Å
51L31.7Very low31.7Very low124 Ų124122.1 Ų122.165%0.64971%0.707SS**  trans-6298.2176.4-68.4167.2000109.1G49 F53G49-L51 PolarHBondContact O-N 3.47Å; L51-F53 HydrophobicContact CB-CD2 4.19Å; L51-F53 HydrophobicContact CB-CE2 4.15Å; L51-F53 PolarHBondContact O-N 3.17Å
52D25.5Very low33.5Very low122 Ų122116 Ų11665%0.65267%0.673SS**  trans-70.699.6174.7-166.7-0.2000109.9V50 S54V50-D52 PolarHBondContact O-N 3.33Å; D52-S54 PolarHBondContact O-N 3.37Å; D52-S54 WeakPolarHBondContact OD1-CB 3.27Å; D52-S54 PolarHBondContact OD1-N 3.46Å; D52-S54 PolarHBondContact OD1-OG 3.24Å
53F35Very low35.2Very low114 Ų114112.1 Ų112.150%0.565%0.648SS.*  trans-8834.9169.7-86.8-83.6000111.8L51L51-F53 HydrophobicContact CB-CD2 4.19Å; L51-F53 HydrophobicContact CB-CE2 4.15Å; L51-F53 PolarHBondContact O-N 3.17Å
54S28.8Very low38Very low74 Ų74107.7 Ų107.752%0.51762%0.62SS.*  trans-126.184.217571.20000113D52 P56D52-S54 PolarHBondContact O-N 3.37Å; D52-S54 WeakPolarHBondContact OD1-CB 3.27Å; D52-S54 PolarHBondContact OD1-N 3.46Å; D52-S54 PolarHBondContact OD1-OG 3.24Å; S54-P56 WeakPolarHBondContact O-CD 3.24Å
55D28.3Very low40.8Very low127 Ų127102.6 Ų102.668%0.67958%0.584SS**  trans-109.492.6152.1-161.3-6.7000109.1F57D55-F57 PolarHBondContact O-N 2.98Å
56P32.9Very low43.9Very low95 Ų9599.4 Ų99.462%0.61755%0.551SS**THydrogen-bonded Turntrans-77.33.6-172-12.529.4000114.4S54S54-P56 WeakPolarHBondContact O-CD 3.24Å
57F31.1Very low46.8Very low181 Ų18192.4 Ų92.479%0.79451%0.508SS*.THydrogen-bonded Turntrans-109.6-4.3-169.1-77.8-80.1000116.9D55 T59D55-F57 PolarHBondContact O-N 2.98Å; F57-T59 VanDerWaalsContact C-N 3.35Å; F57-T59 PolarHBondContact O-N 3.38Å; F57-T59 VanDerWaalsContact O-N 3.14Å
58S35.5Very low49.8Very low61 Ų6183.3 Ų83.343%0.42747%0.466SS..  trans-89.364.3170.769.10000112.7E60S58-E60 PolarHBondContact O-N 2.99Å
59T35.7Very low52.7Low106 Ų10675.2 Ų75.265%0.6543%0.431SS*.  trans-78.741.1163.830.40000111.9F57F57-T59 VanDerWaalsContact C-N 3.35Å; F57-T59 PolarHBondContact O-N 3.38Å; F57-T59 VanDerWaalsContact O-N 3.14Å
60E47.2Very low55.7Low84 Ų8473.7 Ų73.739%0.39341%0.405SS..  trans-106.9111.4161.6-61-162152.200105.7S58 K62 K379S58-E60 PolarHBondContact O-N 2.99Å; E60-K62 HydrophobicContact CB-CG 4.01Å; E60-K62 PolarHBondContact O-N 3.24Å; E60-K379 IonicContact OE1-NZ 3.9Å; E60-K379 PolarHBondContact OE1-NZ 3.06Å
61V54.5Low58.4Low139 Ų13973.7 Ų73.784%0.84239%0.39SS*.  trans-72.373.9168.6-174.20000106.2
62K64.1Low61Low33 Ų3377.7 Ų77.714%0.14340%0.396CS..PPolyproline II helixtrans-66.3127.3168-65.5-175.1-173.5-1800105.9E60 R64 D104 N112 Q114E60-K62 HydrophobicContact CB-CG 4.01Å; E60-K62 PolarHBondContact O-N 3.24Å; K62-R64 PolarHBondContact O-N 3.41Å; K62-D104 IonicContact NZ-OD1 3.88Å; K62-D104 PolarHBondContact NZ-OD1 2.94Å; K62-N112 WeakPolarHBondContact CB-O 3.27Å; K62-N112 HydrophobicContact CD-CB 4.28Å; K62-N112 HydrophobicContact CG-CB 4.26Å; K62-Q114 HydrophobicContact CD-CG 4.31Å
63P71.4Confident63.9Low39 Ų3972 Ų7225%0.25337%0.366SS..PPolyproline II helixtrans-52.2128.9171.619.5-31000109N112 F113 Q114P63-N112 VanDerWaalsContact CD-O 3.3Å; P63-N112 WeakPolarHBondContact CD-O 3.45Å; P63-F113 HydrophobicContact CG-CB 4.27Å; P63-F113 WeakPolarHBondContact O-CA 3.39Å; P63-F113 WeakPolarHBondContact O-CB 3.42Å; P63-Q114 PolarHBondContact O-N 3.18Å
64R84.9Confident66.4Low59 Ų5967 Ų6722%0.22335%0.348CS..EExtended strand (participates in β ladder)trans-99.3135.2176.4-54.6-179.2178.2151.31.8109.5K62 Q114 G137 G139 A140K62-R64 PolarHBondContact O-N 3.41Å; R64-Q114 WeakPolarHBondContact CA-O 3.46Å; R64-Q114 HydrophobicContact CG-CB 4.27Å; R64-G137 WeakPolarHBondContact CG-O 3.2Å; R64-G139 PolarHBondContact O-N 2.87Å; R64-A140 PolarHBondContact O-N 3.04Å
65I89.3Confident69.3Low0 Ų064 Ų640%033%0.325CS..EExtended strand (participates in β ladder)trans-107.7119.7172.1-56.8-178.6000106.9F113 Q114 I115 W116 A140 I142 V234 L237I65-F113 HydrophobicContact CD1-CB 4.48Å; I65-F113 HydrophobicContact CD1-CD1 3.94Å; I65-F113 HydrophobicContact CD1-CD2 3.99Å; I65-F113 HydrophobicContact CD1-CE1 4.06Å; I65-F113 HydrophobicContact CD1-CE2 4.14Å; I65-F113 HydrophobicContact CD1-CG 3.92Å; I65-F113 HydrophobicContact CD1-CZ 4.19Å; I65-F113 HydrophobicContact CG1-CB 4.47Å; I65-F113 HydrophobicContact CG1-CD2 4.47Å; I65-F113 HydrophobicContact CG1-CG 4.37Å; I65-Q114 PolarHBondContact N-O 2.93Å; I65-I115 WeakPolarHBondContact O-CA 3.06Å; I65-W116 PolarHBondContact O-N 3.12Å; I65-A140 WeakPolarHBondContact CA-O 3.45Å; I65-I142 HydrophobicContact CG2-CD1 3.5Å; I65-I142 HydrophobicContact CG2-CG1 3.97Å; I65-V234 HydrophobicContact CD1-CG2 4.3Å; I65-L237 HydrophobicContact CD1-CD1 3.71Å; I65-L237 HydrophobicContact CG1-CD1 3.65Å
66L89.6Confident72.2Confident0 Ų059.1 Ų59.10%030%0.301CS..EExtended strand (participates in β ladder)trans-97126.9176.1-53-177.2000109.3M68 W116 F118 I134 F135 T138 A140 I142L66-M68 HydrophobicContact CB-CG 4.21Å; L66-M68 HydrophobicContact CB-SD 4.38Å; L66-M68 HydrophobicContact CD1-SD 4.44Å; L66-W116 HydrophobicContact CD2-CB 3.77Å; L66-W116 HydrophobicContact CD2-CD2 4.21Å; L66-W116 HydrophobicContact CD2-CE3 4.28Å; L66-W116 HydrophobicContact CD2-CG 4.03Å; L66-F118 HydrophobicContact CD2-CE2 4Å; L66-I134 HydrophobicContact CD1-CG2 4.07Å; L66-I134 HydrophobicContact CD2-CG2 4.19Å; L66-F135 HydrophobicContact CD1-CD1 3.64Å; L66-F135 HydrophobicContact CD1-CE1 3.61Å; L66-T138 HydrophobicContact CD1-CG2 3.8Å; L66-T138 VanDerWaalsContact CD1-OG1 3.26Å; L66-T138 WeakPolarHBondContact CD1-OG1 3.44Å; L66-T138 HydrophobicContact CG-CG2 3.64Å; L66-T138 WeakPolarHBondContact CG-OG1 3.06Å; L66-A140 PolarHBondContact N-O 2.85Å; L66-I142 PolarHBondContact O-N 2.79Å
67L90.5Very high74.9Confident0 Ų055.6 Ų55.60%028%0.279CS..EExtended strand (participates in β ladder)trans-98112.4169.3-72.2169.3000108.8Q79 I115 W116 F118 I142 V144 F230L67-Q79 HydrophobicContact CD1-CB 4.2Å; L67-I115 HydrophobicContact CD1-CG2 3.5Å; L67-I115 HydrophobicContact CG-CG2 4.03Å; L67-W116 PolarHBondContact N-O 2.72Å; L67-F118 PolarHBondContact O-N 3.19Å; L67-I142 HydrophobicContact CD2-CB 3.83Å; L67-I142 HydrophobicContact CD2-CD1 4.06Å; L67-I142 HydrophobicContact CD2-CG2 3.79Å; L67-V144 HydrophobicContact CD2-CG2 4.43Å; L67-F230 HydrophobicContact CD2-CZ 4.1Å
68M89.6Confident77.7Confident1 Ų147 Ų471%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-126.1159.4-177-55.6-17481.900110.6L66 F118 F124 F135 L141 I142 F143 V144 T161L66-M68 HydrophobicContact CB-CG 4.21Å; L66-M68 HydrophobicContact CB-SD 4.38Å; L66-M68 HydrophobicContact CD1-SD 4.44Å; M68-F118 HydrophobicContact CG-CD2 4.37Å; M68-F124 HydrophobicContact CE-CD1 3.87Å; M68-F124 HydrophobicContact CE-CE1 3.02Å; M68-F124 HydrophobicContact CE-CZ 3.43Å; M68-F124 VanDerWaalsContact CE-CZ 3.43Å; M68-F135 HydrophobicContact CE-CZ 4.3Å; M68-F135 HydrophobicContact SD-CE1 4.13Å; M68-F135 HydrophobicContact SD-CZ 4.46Å; M68-L141 HydrophobicContact SD-CD1 3.62Å; M68-L141 HydrophobicContact SD-CD2 4.32Å; M68-L141 HydrophobicContact SD-CG 3.92Å; M68-I142 PolarHBondContact N-O 2.95Å; M68-F143 HydrophobicContact CB-CD2 4.08Å; M68-F143 CarbonylContact O-C 3.56Å; M68-F143 WeakPolarHBondContact O-CA 3.34Å; M68-V144 PolarHBondContact O-N 2.94Å; M68-T161 HydrophobicContact CE-CG2 3.82Å; M68-T161 HydrophobicContact SD-CG2 3.7Å
69G87.4Confident80.2Confident11 Ų1144.8 Ų44.811%0.11322%0.224CC..EExtended strand (participates in β ladder)trans147.7175179.200000112.8K75G69-K75 PolarHBondContact O-NZ 3.47Å
70L87.8Confident82.5Confident44 Ų4443.2 Ų43.223%0.2321%0.208CC..SBendtrans-64.8156.6-175.9-64.4-173.8000114.4R72 S73 K75 E153 A154 R157L70-R72 PolarHBondContact O-N 3.34Å; L70-S73 VanDerWaalsContact O-CB 3.29Å; L70-S73 WeakPolarHBondContact O-CB 3.15Å; L70-S73 PolarHBondContact O-N 3.18Å; L70-S73 VanDerWaalsContact O-N 3.12Å; L70-S73 PolarHBondContact O-OG 2.87Å; L70-S73 VanDerWaalsContact O-OG 3.09Å; L70-K75 PolarHBondContact O-NZ 3.14Å; L70-E153 HydrophobicContact CD1-CB 4.35Å; L70-E153 HydrophobicContact CD1-CG 4.43Å; L70-E153 HydrophobicContact CD2-CG 4.4Å; L70-A154 HydrophobicContact CD1-CB 3.64Å; L70-A154 HydrophobicContact CG-CB 3.99Å; L70-R157 HydrophobicContact CD2-CB 4.34Å; L70-R157 HydrophobicContact CD2-CG 3.92Å
71R86.2Confident84.4Confident134 Ų13439.6 Ų39.651%0.50619%0.192SC..THydrogen-bonded Turntrans-53.4138.3174-162.8-166.4171.6177.7-4.1109.9S73 S96 Q121R71-S73 PolarHBondContact O-N 3.31Å; R71-S96 PolarHBondContact NH2-OG 3.39Å; R71-Q121 HydrophobicContact CG-CG 4.28Å; R71-Q121 VanDerWaalsContact NE-NE2 3.18Å; R71-Q121 VanDerWaalsContact NH1-NE2 3.2Å
72R85.1Confident85.8Confident207 Ų20733 Ų3378%0.78115%0.152SC*.THydrogen-bonded Turntrans66.88.7-178.8-52.1174.865.8-168.2-1.4116.2L70 G74 K180L70-R72 PolarHBondContact O-N 3.34Å; R72-G74 PolarHBondContact O-N 2.74Å; R72-K180 PolarHBondContact O-NZ 3.02Å
73S87.6Confident86.5Confident2 Ų232.7 Ų32.71%0.01415%0.15CC..SBendtrans-68.3-9.8175.675.40000115.2L70 R71 K75 V144 H179L70-S73 VanDerWaalsContact O-CB 3.29Å; L70-S73 WeakPolarHBondContact O-CB 3.15Å; L70-S73 PolarHBondContact O-N 3.18Å; L70-S73 VanDerWaalsContact O-N 3.12Å; L70-S73 PolarHBondContact O-OG 2.87Å; L70-S73 VanDerWaalsContact O-OG 3.09Å; R71-S73 PolarHBondContact O-N 3.31Å; S73-K75 PolarHBondContact OG-NZ 2.86Å; S73-V144 WeakPolarHBondContact CB-O 3.41Å; S73-V144 WeakPolarHBondContact O-CG1 3.29Å; S73-V144 PolarHBondContact OG-O 2.86Å; S73-H179 PolarHBondContact O-CD2 3.4Å
74G86.8Confident86.9Confident11 Ų1136.1 Ų36.111%0.11316%0.163CC..SBendtrans103.75.4173.500000116.5R72 S76 S77 I78R72-G74 PolarHBondContact O-N 2.74Å; G74-S76 PolarHBondContact O-N 3.28Å; G74-S77 WeakPolarHBondContact O-CB 3.49Å; G74-S77 PolarHBondContact O-N 2.97Å; G74-S77 VanDerWaalsContact O-N 3.13Å; G74-I78 WeakPolarHBondContact O-CG1 3.36Å; G74-I78 PolarHBondContact O-N 3.13Å
75K89.8Confident86.5Confident10 Ų1038.4 Ų38.44%0.04317%0.174CC..Hα-helixtrans-49.2-51.7-179.5-62.9166.4-75.9-71.30114.6G69 L70 S73 S77 I78 Q79 D117 F118 V144G69-K75 PolarHBondContact O-NZ 3.47Å; L70-K75 PolarHBondContact O-NZ 3.14Å; S73-K75 PolarHBondContact OG-NZ 2.86Å; K75-S77 VanDerWaalsContact C-N 3.32Å; K75-S77 PolarHBondContact O-N 3.09Å; K75-I78 WeakPolarHBondContact O-CB 3.49Å; K75-I78 PolarHBondContact O-N 3.35Å; K75-Q79 PolarHBondContact O-N 3.34Å; K75-D117 VanDerWaalsContact CB-OD1 3.3Å; K75-D117 WeakPolarHBondContact CB-OD1 3.47Å; K75-F118 WeakPolarHBondContact CE-O 3.46Å; K75-V144 HydrophobicContact CG-CB 4.07Å; K75-V144 HydrophobicContact CG-CG2 3.91Å
76S88.3Confident86.1Confident24 Ų2440.8 Ų40.817%0.16819%0.186CC..Hα-helixtrans-69.4-32-177.4-41.50000112.1G74 K80 T97 D117G74-S76 PolarHBondContact O-N 3.28Å; S76-K80 WeakPolarHBondContact O-CG 3.43Å; S76-K80 PolarHBondContact O-N 3.47Å; S76-K80 VanDerWaalsContact O-N 3.11Å; S76-T97 PolarHBondContact OG-OG1 2.93Å; S76-D117 WeakPolarHBondContact CB-OD2 3.45Å; S76-D117 PolarHBondContact OG-OD2 3.32Å
77S90.1Very high85.7Confident22 Ų2243 Ų4315%0.15420%0.202CC..Hα-helixtrans-64.9-47.1172.5-52.50000110.6G74 K75 Q79 K80 V81G74-S77 WeakPolarHBondContact O-CB 3.49Å; G74-S77 PolarHBondContact O-N 2.97Å; G74-S77 VanDerWaalsContact O-N 3.13Å; K75-S77 VanDerWaalsContact C-N 3.32Å; K75-S77 PolarHBondContact O-N 3.09Å; S77-Q79 VanDerWaalsContact C-N 3.35Å; S77-Q79 PolarHBondContact O-N 3.11Å; S77-K80 PolarHBondContact O-N 3.18Å; S77-V81 WeakPolarHBondContact O-CB 3.48Å; S77-V81 VanDerWaalsContact O-CG2 3.24Å; S77-V81 WeakPolarHBondContact O-CG2 3.48Å; S77-V81 PolarHBondContact O-N 2.7Å
78I89.8Confident85.2Confident0 Ų044.6 Ų44.60%021%0.212CC..Hα-helixtrans-55.2-50.6175.7-71.4168.7000110.7G74 K75 K80 V81 V82 V144 I221 I226 F230G74-I78 WeakPolarHBondContact O-CG1 3.36Å; G74-I78 PolarHBondContact O-N 3.13Å; K75-I78 WeakPolarHBondContact O-CB 3.49Å; K75-I78 PolarHBondContact O-N 3.35Å; I78-K80 PolarHBondContact O-N 2.99Å; I78-V81 PolarHBondContact O-N 2.84Å; I78-V82 WeakPolarHBondContact O-CG2 3.48Å; I78-V82 PolarHBondContact O-N 3.21Å; I78-V144 HydrophobicContact CD1-CG1 3.92Å; I78-V144 HydrophobicContact CD1-CG2 4.01Å; I78-I221 HydrophobicContact CG1-CG2 4.02Å; I78-I226 HydrophobicContact CD1-CD1 4.23Å; I78-I226 HydrophobicContact CG1-CD1 4.13Å; I78-I226 HydrophobicContact CG1-CG1 4.47Å; I78-I226 HydrophobicContact CG2-CD1 3.76Å; I78-I226 HydrophobicContact CG2-CG1 3.97Å; I78-F230 HydrophobicContact CG2-CD2 4.48Å; I78-F230 HydrophobicContact CG2-CE2 3.37Å; I78-F230 HydrophobicContact CG2-CZ 3.89Å
79Q88.1Confident84.8Confident14 Ų1449.4 Ų49.47%0.06524%0.238CC..Hα-helixtrans-57.5-48.3-179.9-177.9-1751.600111.9L67 K75 S77 F83 E103L67-Q79 HydrophobicContact CD1-CB 4.2Å; K75-Q79 PolarHBondContact O-N 3.34Å; S77-Q79 VanDerWaalsContact C-N 3.35Å; S77-Q79 PolarHBondContact O-N 3.11Å; Q79-F83 WeakPolarHBondContact O-CD2 3.33Å; Q79-F83 PolarHBondContact O-N 2.93Å; Q79-E103 WeakPolarHBondContact CG-OE2 3.22Å; Q79-E103 PolarHBondContact NE2-OE2 3.07Å
80K85.1Confident84.5Confident74 Ų7454 Ų5432%0.32226%0.256SS..Hα-helixtrans-70.5-36.7-178.2-71-169.7-180-165.70113.4S76 S77 I78 H84 K85 M86 L94S76-K80 WeakPolarHBondContact O-CG 3.43Å; S76-K80 PolarHBondContact O-N 3.47Å; S76-K80 VanDerWaalsContact O-N 3.11Å; S77-K80 PolarHBondContact O-N 3.18Å; I78-K80 PolarHBondContact O-N 2.99Å; K80-H84 CarbonylContact O-C 3.46Å; K80-H84 WeakPolarHBondContact O-CA 3.45Å; K80-H84 VanDerWaalsContact O-CB 3.27Å; K80-H84 WeakPolarHBondContact O-CB 3.43Å; K80-H84 PolarHBondContact O-N 2.75Å; K80-K85 PolarHBondContact O-N 2.85Å; K80-M86 HydrophobicContact CB-CB 4.05Å; K80-M86 HydrophobicContact CB-SD 3.97Å; K80-M86 HydrophobicContact CD-CE 4Å; K80-M86 HydrophobicContact CD-SD 3.74Å; K80-M86 PolarHBondContact O-N 3.36Å; K80-L94 HydrophobicContact CD-CD1 4Å; K80-L94 HydrophobicContact CD-CD2 3.51Å; K80-L94 HydrophobicContact CD-CG 4.43Å
81V86.4Confident84.2Confident8 Ų852.3 Ų52.35%0.04825%0.248CC..Hα-helixtrans-66.2-45.3178170.90000110.5S77 I78 T91 I221 F227S77-V81 WeakPolarHBondContact O-CB 3.48Å; S77-V81 VanDerWaalsContact O-CG2 3.24Å; S77-V81 WeakPolarHBondContact O-CG2 3.48Å; S77-V81 PolarHBondContact O-N 2.7Å; I78-V81 PolarHBondContact O-N 2.84Å; V81-T91 HydrophobicContact CG2-CG2 3.53Å; V81-I221 HydrophobicContact CG2-CB 4.29Å; V81-I221 HydrophobicContact CG2-CG2 4.36Å; V81-F227 HydrophobicContact CG1-CE2 4.48Å; V81-F227 HydrophobicContact CG1-CZ 4.27Å
82V83.3Confident83.8Confident1 Ų151.8 Ų51.81%0.00625%0.254CS..Hα-helixtrans-75.3-42.6-175178.50000112.3I78 I226 F227 F230 I269I78-V82 WeakPolarHBondContact O-CG2 3.48Å; I78-V82 PolarHBondContact O-N 3.21Å; V82-I226 HydrophobicContact CG2-CG1 3.9Å; V82-I226 HydrophobicContact CG2-CG2 4.28Å; V82-F227 HydrophobicContact CB-CE1 4.17Å; V82-F227 HydrophobicContact CG1-CD1 4.07Å; V82-F227 HydrophobicContact CG1-CE1 4.04Å; V82-F227 HydrophobicContact CG2-CD1 4.29Å; V82-F227 HydrophobicContact CG2-CE1 4.12Å; V82-F227 HydrophobicContact CG2-CZ 4.44Å; V82-F230 HydrophobicContact CG2-CD2 4.16Å; V82-F230 HydrophobicContact CG2-CE2 4.28Å; V82-I269 HydrophobicContact CG1-CD1 4.13Å
83F80.4Confident83.6Confident25 Ų2550.3 Ų50.311%0.1125%0.254CS..Hα-helixtrans-105.4-26.1-169.6-61.9-76.3000114.7Q79 E103 V105 F113 I115 F230 I269Q79-F83 WeakPolarHBondContact O-CD2 3.33Å; Q79-F83 PolarHBondContact O-N 2.93Å; F83-E103 VanDerWaalsContact CB-OE1 3.28Å; F83-E103 WeakPolarHBondContact CB-OE1 3.4Å; F83-V105 HydrophobicContact CD1-CG1 4.2Å; F83-V105 HydrophobicContact CD1-CG2 3.6Å; F83-V105 HydrophobicContact CE1-CG1 4.35Å; F83-V105 HydrophobicContact CE1-CG2 3.96Å; F83-V105 HydrophobicContact CG-CG2 4.17Å; F83-F113 AromaticContact CE1-CE2 3.67Å; F83-F113 HydrophobicContact CE1-CE2 3.67Å; F83-F113 AromaticContact CE1-CZ 3.47Å; F83-F113 HydrophobicContact CE1-CZ 3.47Å; F83-F113 VanDerWaalsContact CE1-CZ 3.47Å; F83-F113 AromaticContact CZ-CE2 3.72Å; F83-F113 HydrophobicContact CZ-CE2 3.72Å; F83-F113 AromaticContact CZ-CZ 3.58Å; F83-F113 HydrophobicContact CZ-CZ 3.58Å; F83-I115 HydrophobicContact CD1-CD1 4.1Å; F83-I115 HydrophobicContact CD2-CD1 3.18Å; F83-I115 HydrophobicContact CE1-CD1 3.96Å; F83-I115 HydrophobicContact CE2-CD1 3.01Å; F83-I115 HydrophobicContact CE2-CG1 4.39Å; F83-I115 HydrophobicContact CG-CD1 3.75Å; F83-I115 HydrophobicContact CZ-CD1 3.42Å; F83-I115 VanDerWaalsContact CZ-CD1 3.42Å; F83-F230 HydrophobicContact CE2-CD1 4.47Å; F83-F230 HydrophobicContact CE2-CE1 4.09Å; F83-F230 HydrophobicContact CE2-CZ 4.33Å; F83-F230 HydrophobicContact CZ-CD1 4.25Å; F83-F230 HydrophobicContact CZ-CE1 4.23Å; F83-I269 HydrophobicContact CE1-CD1 3.98Å; F83-I269 HydrophobicContact CZ-CD1 3.97Å
84H79.2Confident83.3Confident112 Ų11252.4 Ų52.452%0.51927%0.265SS..Hα-helixtrans-1030.6178.4-63.574.2000113.1K80 M86 E103K80-H84 CarbonylContact O-C 3.46Å; K80-H84 WeakPolarHBondContact O-CA 3.45Å; K80-H84 VanDerWaalsContact O-CB 3.27Å; K80-H84 WeakPolarHBondContact O-CB 3.43Å; K80-H84 PolarHBondContact O-N 2.75Å; H84-M86 PolarHBondContact O-N 3.27Å; H84-M86 VanDerWaalsContact O-N 3.14Å; H84-E103 IonicContact CE1-OE1 3.95Å; H84-E103 PolarHBondContact CE1-OE1 3.45Å; H84-E103 IonicContact CE1-OE2 3.04Å; H84-E103 PolarHBondContact CE1-OE2 3.33Å; H84-E103 IonicContact ND1-OE1 3.12Å; H84-E103 PolarHBondContact ND1-OE1 2.91Å; H84-E103 IonicContact ND1-OE2 3.45Å; H84-E103 IonicContact NE2-OE1 2.68Å
85K76.9Confident83Confident107 Ų10760.3 Ų60.347%0.46530%0.299SS..  trans52.131.3-174.2-58.2-173.3174.9-168.70112.9K80 V266K80-K85 PolarHBondContact O-N 2.85Å; K85-V266 WeakPolarHBondContact CE-O 3.41Å
86M79.2Confident82.5Confident49 Ų4962.5 Ų62.524%0.24132%0.315CS..  trans-67.8138.6176.1179.2171.4-86.300109.7K80 H84 E90 T91 L94K80-M86 HydrophobicContact CB-CB 4.05Å; K80-M86 HydrophobicContact CB-SD 3.97Å; K80-M86 HydrophobicContact CD-CE 4Å; K80-M86 HydrophobicContact CD-SD 3.74Å; K80-M86 PolarHBondContact O-N 3.36Å; H84-M86 PolarHBondContact O-N 3.27Å; H84-M86 VanDerWaalsContact O-N 3.14Å; M86-E90 HydrophobicContact CG-CB 3.87Å; M86-E90 HydrophobicContact SD-CB 4.3Å; M86-T91 HydrophobicContact CG-CG2 4.28Å; M86-T91 HydrophobicContact SD-CG2 4.19Å; M86-L94 HydrophobicContact SD-CD2 4.13Å
87S81.8Confident82Confident48 Ų4863 Ų6334%0.33632%0.317SS..  trans-65.3138.4177175.90000110.5N89 E90 T91S87-N89 PolarHBondContact O-N 2.78Å; S87-N89 VanDerWaalsContact O-N 3.1Å; S87-E90 PolarHBondContact N-OE2 3.25Å; S87-E90 WeakPolarHBondContact O-CB 3.46Å; S87-E90 PolarHBondContact O-N 3.01Å; S87-T91 PolarHBondContact O-N 3.49Å
88P81.1Confident81.1Confident32 Ų3268 Ų6821%0.20834%0.342CS..THydrogen-bonded Turntrans-53.8-33.8177.9-28.336.3000113.4E90 T91 I221 Y222P88-E90 VanDerWaalsContact C-N 3.34Å; P88-E90 PolarHBondContact O-N 2.97Å; P88-T91 WeakPolarHBondContact O-CB 3.38Å; P88-T91 PolarHBondContact O-N 3.01Å; P88-T91 PolarHBondContact O-OG1 3Å; P88-I221 HydrophobicContact CB-CD1 4.34Å; P88-I221 HydrophobicContact CB-CG1 4.36Å; P88-I221 WeakPolarHBondContact CG-O 3.27Å; P88-Y222 HydrophobicContact CB-CD1 3.67Å; P88-Y222 HydrophobicContact CB-CE1 3.75Å
89N80.8Confident80.4Confident103 Ų10376.2 Ų76.255%0.55138%0.378SS*.THydrogen-bonded Turntrans-69.5-29.9178.3-66.9-30.9000113.2S87 T91S87-N89 PolarHBondContact O-N 2.78Å; S87-N89 VanDerWaalsContact O-N 3.1Å; N89-T91 VanDerWaalsContact C-N 3.26Å; N89-T91 PolarHBondContact O-N 3.43Å
90E80.6Confident79.9Confident106 Ų10677.3 Ų77.350%0.49538%0.384SS..G310 helixtrans-72.9-24.2176.6-66.2172.6169.100111.4M86 S87 P88 L92 F93M86-E90 HydrophobicContact CG-CB 3.87Å; M86-E90 HydrophobicContact SD-CB 4.3Å; S87-E90 PolarHBondContact N-OE2 3.25Å; S87-E90 WeakPolarHBondContact O-CB 3.46Å; S87-E90 PolarHBondContact O-N 3.01Å; P88-E90 VanDerWaalsContact C-N 3.34Å; P88-E90 PolarHBondContact O-N 2.97Å; E90-L92 PolarHBondContact O-N 3.42Å; E90-L92 VanDerWaalsContact O-N 3.16Å; E90-F93 PolarHBondContact O-N 3.08Å; E90-F93 VanDerWaalsContact O-N 3.13Å
91T82.4Confident79.4Confident9 Ų976.5 Ų76.56%0.05539%0.387CS..G310 helixtrans-65.5-19.2-179.273.80000113.8V81 M86 S87 P88 N89 F93 L94 I221V81-T91 HydrophobicContact CG2-CG2 3.53Å; M86-T91 HydrophobicContact CG-CG2 4.28Å; M86-T91 HydrophobicContact SD-CG2 4.19Å; S87-T91 PolarHBondContact O-N 3.49Å; P88-T91 WeakPolarHBondContact O-CB 3.38Å; P88-T91 PolarHBondContact O-N 3.01Å; P88-T91 PolarHBondContact O-OG1 3Å; N89-T91 VanDerWaalsContact C-N 3.26Å; N89-T91 PolarHBondContact O-N 3.43Å; T91-F93 PolarHBondContact O-N 3.46Å; T91-L94 HydrophobicContact CG2-CD1 4.26Å; T91-L94 WeakPolarHBondContact O-CB 3.26Å; T91-L94 VanDerWaalsContact O-CG 3.28Å; T91-L94 WeakPolarHBondContact O-CG 3.27Å; T91-L94 PolarHBondContact O-N 2.86Å; T91-L94 VanDerWaalsContact O-N 3.16Å; T91-I221 HydrophobicContact CG2-CD1 4.48Å; T91-I221 WeakPolarHBondContact OG1-CD1 3.46Å
92L76.3Confident79.1Confident124 Ų12482.7 Ų82.765%0.64941%0.409SS*.G310 helixtrans-62-25.1175.1-68.2172.1000112.6E90 L94E90-L92 PolarHBondContact O-N 3.42Å; E90-L92 VanDerWaalsContact O-N 3.16Å; L92-L94 VanDerWaalsContact C-N 3.34Å
93F81.4Confident78.8Confident176 Ų17684.1 Ų84.177%0.77242%0.416SS*.G310 helixtrans-92.97.8-179.4-55.5-70.9000113.1E90 T91 E95E90-F93 PolarHBondContact O-N 3.08Å; E90-F93 VanDerWaalsContact O-N 3.13Å; T91-F93 PolarHBondContact O-N 3.46Å; F93-E95 PolarHBondContact O-N 3.29Å
94L81.9Confident78.3Confident45 Ų4586.7 Ų86.724%0.23643%0.431CS..PPolyproline II helixtrans-70.7129.2177.9-67.1174.7000111.4K80 M86 T91 L92K80-L94 HydrophobicContact CD-CD1 4Å; K80-L94 HydrophobicContact CD-CD2 3.51Å; K80-L94 HydrophobicContact CD-CG 4.43Å; M86-L94 HydrophobicContact SD-CD2 4.13Å; T91-L94 HydrophobicContact CG2-CD1 4.26Å; T91-L94 WeakPolarHBondContact O-CB 3.26Å; T91-L94 VanDerWaalsContact O-CG 3.28Å; T91-L94 WeakPolarHBondContact O-CG 3.27Å; T91-L94 PolarHBondContact O-N 2.86Å; T91-L94 VanDerWaalsContact O-N 3.16Å; L92-L94 VanDerWaalsContact C-N 3.34Å
95E80.1Confident77.8Confident178 Ų17882.2 Ų82.283%0.83241%0.411SS*.PPolyproline II helixtrans-69.6158.6172.7-63.1-172.8168.300111.6F93 T97F93-E95 PolarHBondContact O-N 3.29Å; E95-T97 PolarHBondContact O-N 3.35Å
96S78.7Confident76.9Confident55 Ų5579.9 Ų79.939%0.38541%0.409SS..PPolyproline II helixtrans-66.2124.2175.5-69.70000110.6R71 N98R71-S96 PolarHBondContact NH2-OG 3.39Å; S96-N98 PolarHBondContact O-N 3Å; S96-N98 PolarHBondContact O-OD1 3.18Å
97T77.4Confident75.6Confident35 Ų3583 Ų8322%0.21543%0.426CS..PPolyproline II helixtrans-63.4117173.6-53.60000110.6S76 E95 K99 P119S76-T97 PolarHBondContact OG-OG1 2.93Å; E95-T97 PolarHBondContact O-N 3.35Å; T97-K99 WeakPolarHBondContact CG2-O 3.2Å; T97-P119 WeakPolarHBondContact O-CB 3.3Å
98N72.6Confident74.2Confident127 Ų12780.8 Ų80.868%0.67941%0.411SS*.  trans-105.8-12.8-179.5-64.4-35.8000113.2S96S96-N98 PolarHBondContact O-N 3Å; S96-N98 PolarHBondContact O-OD1 3.18Å
99K75.4Confident72.7Confident173 Ų17383.3 Ų83.375%0.75243%0.429SS*.SBendtrans-133.2155.7179.9-66.5-173.7178.7-177.70109.7T97 C101T97-K99 WeakPolarHBondContact CG2-O 3.2Å; K99-C101 PolarHBondContact O-N 3.24Å
100I76.4Confident71.3Confident37 Ų3778.6 Ų78.619%0.1940%0.404CS..PPolyproline II helixtrans-65.1118.1174.9-60.4171.9000108.5R102 W116 D117 F118 I122 F129I100-R102 HydrophobicContact CG2-CG 4.37Å; I100-W116 HydrophobicContact CG2-CE3 4.36Å; I100-D117 WeakPolarHBondContact CA-O 3.41Å; I100-F118 HydrophobicContact CD1-CD1 3.96Å; I100-F118 HydrophobicContact CD1-CE1 3.53Å; I100-F118 HydrophobicContact CD1-CZ 4.04Å; I100-F118 HydrophobicContact CG1-CD1 4.09Å; I100-F118 HydrophobicContact CG1-CE1 4.14Å; I100-F118 HydrophobicContact CG2-CE2 4.49Å; I100-I122 HydrophobicContact CD1-CD1 4.25Å; I100-I122 HydrophobicContact CG1-CD1 3.99Å; I100-F129 HydrophobicContact CD1-CD1 4.15Å; I100-F129 HydrophobicContact CD1-CE1 3.59Å; I100-F129 HydrophobicContact CD1-CZ 4.45Å
101C75.8Confident70.2Confident56 Ų5674.3 Ų74.338%0.37838%0.384SS..EExtended strand (participates in β ladder)trans-91.4118.9174.9-690000108.6K99 W116 D117K99-C101 PolarHBondContact O-N 3.24Å; C101-W116 WeakPolarHBondContact O-CA 3.45Å; C101-D117 HydrophobicContact CB-CB 4.28Å; C101-D117 PolarHBondContact N-O 2.74Å; C101-D117 VanDerWaalsContact N-O 3.15Å; C101-D117 PolarHBondContact O-N 2.86Å
102R80.2Confident69.4Low139 Ų13975.8 Ų75.853%0.52539%0.392SS..EExtended strand (participates in β ladder)trans-102125175.4-60.7179.3-173.6159.94.3108.5I100 W116I100-R102 HydrophobicContact CG2-CG 4.37Å; R102-W116 HydrophobicContact CG-CD2 4.2Å; R102-W116 HydrophobicContact CG-CG 4.29Å
103E75.3Confident69.3Low31 Ų3170.1 Ų70.115%0.14536%0.362CS..EExtended strand (participates in β ladder)trans-119.3123.5174.8-175.8178.2179.700109.6Q79 F83 H84 V105 Q114 I115Q79-E103 WeakPolarHBondContact CG-OE2 3.22Å; Q79-E103 PolarHBondContact NE2-OE2 3.07Å; F83-E103 VanDerWaalsContact CB-OE1 3.28Å; F83-E103 WeakPolarHBondContact CB-OE1 3.4Å; H84-E103 IonicContact CE1-OE1 3.95Å; H84-E103 PolarHBondContact CE1-OE1 3.45Å; H84-E103 IonicContact CE1-OE2 3.04Å; H84-E103 PolarHBondContact CE1-OE2 3.33Å; H84-E103 IonicContact ND1-OE1 3.12Å; H84-E103 PolarHBondContact ND1-OE1 2.91Å; H84-E103 IonicContact ND1-OE2 3.45Å; H84-E103 IonicContact NE2-OE1 2.68Å; E103-V105 HydrophobicContact CG-CG2 4.39Å; E103-Q114 CarbonylContact O-C 3.58Å; E103-Q114 VanDerWaalsContact O-CA 3.32Å; E103-Q114 WeakPolarHBondContact O-CA 3.42Å; E103-I115 HydrophobicContact CB-CB 4.49Å; E103-I115 PolarHBondContact N-O 3.46Å; E103-I115 PolarHBondContact O-N 3.2Å
104D71.7Confident69.3Low78 Ų7862.7 Ų62.742%0.41733%0.33SS..EExtended strand (participates in β ladder)trans-89104.4171.4-93.6-71.1000108.9K62 S106 Q114K62-D104 IonicContact NZ-OD1 3.88Å; K62-D104 PolarHBondContact NZ-OD1 2.94Å; D104-S106 VanDerWaalsContact C-N 3.31Å; D104-S106 PolarHBondContact O-N 2.78Å; D104-S106 VanDerWaalsContact O-N 3.1Å; D104-Q114 WeakPolarHBondContact OD1-CG 3.32Å; D104-Q114 PolarHBondContact OD1-NE2 2.66Å; D104-Q114 PolarHBondContact OD2-NE2 2.91Å
105V67.5Low69.4Low19 Ų1960.5 Ų60.512%0.11532%0.319CS..EExtended strand (participates in β ladder)trans-83.385.7167.6-175.10000106.5F83 E103 V111 N112 F113 I115F83-V105 HydrophobicContact CD1-CG1 4.2Å; F83-V105 HydrophobicContact CD1-CG2 3.6Å; F83-V105 HydrophobicContact CE1-CG1 4.35Å; F83-V105 HydrophobicContact CE1-CG2 3.96Å; F83-V105 HydrophobicContact CG-CG2 4.17Å; E103-V105 HydrophobicContact CG-CG2 4.39Å; V105-V111 VanDerWaalsContact O-O 3.07Å; V105-N112 WeakPolarHBondContact O-CA 3.39Å; V105-F113 HydrophobicContact CB-CD2 4.01Å; V105-F113 HydrophobicContact CB-CE2 3.84Å; V105-F113 HydrophobicContact CB-CZ 4.45Å; V105-F113 HydrophobicContact CG1-CE2 4.3Å; V105-F113 HydrophobicContact CG1-CZ 4.44Å; V105-F113 HydrophobicContact CG2-CD2 4.08Å; V105-F113 HydrophobicContact CG2-CE2 3.64Å; V105-F113 HydrophobicContact CG2-CZ 4.46Å; V105-F113 PolarHBondContact N-O 2.53Å; V105-F113 PolarHBondContact O-N 3.44Å; V105-I115 HydrophobicContact CG2-CD1 4.01Å; V105-I115 HydrophobicContact CG2-CG1 4.21Å
106S57.8Low69.6Low58 Ų5852.6 Ų52.641%0.40628%0.281SS..  trans-111.95.817853.70000113.9D104 S108 N112D104-S106 VanDerWaalsContact C-N 3.31Å; D104-S106 PolarHBondContact O-N 2.78Å; D104-S106 VanDerWaalsContact O-N 3.1Å; S106-S108 PolarHBondContact O-N 2.82Å; S106-N112 WeakPolarHBondContact CA-OD1 3.29Å
107N52.4Low69.9Low114 Ų11450 Ų5061%0.6126%0.263SS*.SBendtrans-79.15.8-176.9-71.1-7.7000113.2F335N107-F335 WeakPolarHBondContact O-CD1 3.07Å; N107-F335 WeakPolarHBondContact O-CE1 3.25Å; N107-F335 VanDerWaalsContact O-CG 3.29Å; N107-F335 WeakPolarHBondContact O-CG 3.5Å; N107-F335 VanDerWaalsContact O-CZ 3.23Å; N107-F335 WeakPolarHBondContact O-CZ 3.48Å
108S52.5Low70Confident2 Ų249 Ų491%0.01426%0.256CS..SBendtrans-133.9121.2176-174.40000110.1S106 F110 V111 N112 D264 F335S106-S108 PolarHBondContact O-N 2.82Å; S108-F110 PolarHBondContact O-N 3.14Å; S108-V111 PolarHBondContact O-N 3.15Å; S108-V111 VanDerWaalsContact O-N 3.13Å; S108-N112 PolarHBondContact O-OD1 3.1Å; S108-D264 WeakPolarHBondContact CB-OD1 3.47Å; S108-D264 PolarHBondContact OG-OD1 3.41Å; S108-F335 WeakPolarHBondContact OG-CB 3.18Å
109S49.1Very low70.2Confident84 Ų8443.3 Ų43.359%0.58723%0.225SC*.THydrogen-bonded Turntrans-58-15.6-179.6-44.60000113.7F335S109-F335 WeakPolarHBondContact OG-CE2 3.22Å
110F51.3Low69.7Low5 Ų536.4 Ų36.42%0.02220%0.203CC..THydrogen-bonded Turntrans-95.4-32.8-179.1-163.2-100.2000113.5S108 I238 L244 I271 L336 F368 R371S108-F110 PolarHBondContact O-N 3.14Å; F110-I238 HydrophobicContact CD1-CD1 4.43Å; F110-I238 HydrophobicContact CE1-CD1 3.6Å; F110-I238 HydrophobicContact CE1-CG1 3.99Å; F110-I238 HydrophobicContact CE1-CG2 3.98Å; F110-I238 HydrophobicContact CZ-CD1 4.43Å; F110-I238 HydrophobicContact CZ-CG2 3.69Å; F110-L244 HydrophobicContact CE1-CD1 4.16Å; F110-L244 HydrophobicContact CE2-CD1 4.24Å; F110-L244 HydrophobicContact CZ-CD1 3.51Å; F110-I271 HydrophobicContact CB-CD1 4.27Å; F110-I271 HydrophobicContact CD1-CB 4.22Å; F110-I271 HydrophobicContact CD1-CD1 3.44Å; F110-I271 VanDerWaalsContact CD1-CD1 3.44Å; F110-I271 HydrophobicContact CD1-CG1 3.71Å; F110-I271 HydrophobicContact CD1-CG2 3.52Å; F110-I271 HydrophobicContact CE1-CB 4.2Å; F110-I271 HydrophobicContact CE1-CD1 4.24Å; F110-I271 HydrophobicContact CE1-CG1 4.09Å; F110-I271 HydrophobicContact CE1-CG2 3.1Å; F110-I271 HydrophobicContact CG-CD1 4.14Å; F110-I271 HydrophobicContact CZ-CG2 3.93Å; F110-L336 HydrophobicContact CB-CD1 4.07Å; F110-L336 HydrophobicContact CB-CD2 4.37Å; F110-L336 HydrophobicContact CG-CD1 4.19Å; F110-F368 AromaticContact CD2-CD1 3.54Å; F110-F368 HydrophobicContact CD2-CD1 3.54Å; F110-F368 AromaticContact CD2-CE1 3Å; F110-F368 HydrophobicContact CD2-CE1 3Å; F110-F368 AromaticContact CD2-CZ 3.53Å; F110-F368 HydrophobicContact CD2-CZ 3.53Å; F110-F368 AromaticContact CE2-CD1 3.6Å; F110-F368 HydrophobicContact CE2-CD1 3.6Å; F110-F368 AromaticContact CE2-CE1 3.04Å; F110-F368 HydrophobicContact CE2-CE1 3.04Å; F110-F368 AromaticContact CE2-CZ 3.93Å; F110-F368 HydrophobicContact CE2-CZ 3.93Å; F110-F368 HydrophobicContact CG-CE1 4.13Å; F110-F368 HydrophobicContact CG-CZ 4.31Å; F110-F368 HydrophobicContact CZ-CE1 4.17Å; F110-R371 PolarHBondContact O-NH1 3.24Å
111V57.2Low68.8Low15 Ų1540 Ų409%0.09122%0.219CC..  trans-12775.5-168.7-171.70000109.2V105 S108 F113 V234 I271V105-V111 VanDerWaalsContact O-O 3.07Å; S108-V111 PolarHBondContact O-N 3.15Å; S108-V111 VanDerWaalsContact O-N 3.13Å; V111-F113 HydrophobicContact CB-CE1 4.46Å; V111-F113 HydrophobicContact CG1-CD1 3.13Å; V111-F113 HydrophobicContact CG1-CE1 3.01Å; V111-F113 HydrophobicContact CG1-CG 4.3Å; V111-F113 HydrophobicContact CG1-CZ 4.09Å; V111-F113 PolarHBondContact O-N 3.15Å; V111-V234 HydrophobicContact CG1-CG1 3.97Å; V111-V234 HydrophobicContact CG2-CG1 4.37Å; V111-I271 HydrophobicContact CG2-CD1 3.72Å; V111-I271 HydrophobicContact CG2-CG1 3.77Å
112N67.1Low68Low41 Ų4138.7 Ų38.722%0.21921%0.208CC..  trans-91.191.8170.6-75.1-15.7000108.8K62 P63 V105 S106 S108K62-N112 WeakPolarHBondContact CB-O 3.27Å; K62-N112 HydrophobicContact CD-CB 4.28Å; K62-N112 HydrophobicContact CG-CB 4.26Å; P63-N112 VanDerWaalsContact CD-O 3.3Å; P63-N112 WeakPolarHBondContact CD-O 3.45Å; V105-N112 WeakPolarHBondContact O-CA 3.39Å; S106-N112 WeakPolarHBondContact CA-OD1 3.29Å; S108-N112 PolarHBondContact O-OD1 3.1Å
113F73.7Confident66.8Low4 Ų435.9 Ų35.92%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-122.8157.8169.557.7-115.8000111.6P63 I65 F83 V105 V111 I115 V234P63-F113 HydrophobicContact CG-CB 4.27Å; P63-F113 WeakPolarHBondContact O-CA 3.39Å; P63-F113 WeakPolarHBondContact O-CB 3.42Å; I65-F113 HydrophobicContact CD1-CB 4.48Å; I65-F113 HydrophobicContact CD1-CD1 3.94Å; I65-F113 HydrophobicContact CD1-CD2 3.99Å; I65-F113 HydrophobicContact CD1-CE1 4.06Å; I65-F113 HydrophobicContact CD1-CE2 4.14Å; I65-F113 HydrophobicContact CD1-CG 3.92Å; I65-F113 HydrophobicContact CD1-CZ 4.19Å; I65-F113 HydrophobicContact CG1-CB 4.47Å; I65-F113 HydrophobicContact CG1-CD2 4.47Å; I65-F113 HydrophobicContact CG1-CG 4.37Å; F83-F113 AromaticContact CE1-CE2 3.67Å; F83-F113 HydrophobicContact CE1-CE2 3.67Å; F83-F113 AromaticContact CE1-CZ 3.47Å; F83-F113 HydrophobicContact CE1-CZ 3.47Å; F83-F113 VanDerWaalsContact CE1-CZ 3.47Å; F83-F113 AromaticContact CZ-CE2 3.72Å; F83-F113 HydrophobicContact CZ-CE2 3.72Å; F83-F113 AromaticContact CZ-CZ 3.58Å; F83-F113 HydrophobicContact CZ-CZ 3.58Å; V105-F113 HydrophobicContact CB-CD2 4.01Å; V105-F113 HydrophobicContact CB-CE2 3.84Å; V105-F113 HydrophobicContact CB-CZ 4.45Å; V105-F113 HydrophobicContact CG1-CE2 4.3Å; V105-F113 HydrophobicContact CG1-CZ 4.44Å; V105-F113 HydrophobicContact CG2-CD2 4.08Å; V105-F113 HydrophobicContact CG2-CE2 3.64Å; V105-F113 HydrophobicContact CG2-CZ 4.46Å; V105-F113 PolarHBondContact N-O 2.53Å; V105-F113 PolarHBondContact O-N 3.44Å; V111-F113 HydrophobicContact CB-CE1 4.46Å; V111-F113 HydrophobicContact CG1-CD1 3.13Å; V111-F113 HydrophobicContact CG1-CE1 3.01Å; V111-F113 HydrophobicContact CG1-CG 4.3Å; V111-F113 HydrophobicContact CG1-CZ 4.09Å; V111-F113 PolarHBondContact O-N 3.15Å; F113-I115 HydrophobicContact CD2-CD1 4.39Å; F113-I115 HydrophobicContact CD2-CG1 3.65Å; F113-I115 HydrophobicContact CE2-CD1 3.71Å; F113-I115 HydrophobicContact CE2-CG1 3.47Å; F113-I115 VanDerWaalsContact CE2-CG1 3.47Å; F113-V234 HydrophobicContact CD1-CG2 4.36Å; F113-V234 HydrophobicContact CE1-CG1 4.38Å; F113-V234 HydrophobicContact CE1-CG2 3.58Å; F113-V234 HydrophobicContact CZ-CG2 4.24Å
114Q80.7Confident65.8Low20 Ų2036.3 Ų36.39%0.09321%0.205CC..EExtended strand (participates in β ladder)trans-104.6128.6169.7-72.6178.5-13.600108.9K62 P63 R64 I65 E103 D104K62-Q114 HydrophobicContact CD-CG 4.31Å; P63-Q114 PolarHBondContact O-N 3.18Å; R64-Q114 WeakPolarHBondContact CA-O 3.46Å; R64-Q114 HydrophobicContact CG-CB 4.27Å; I65-Q114 PolarHBondContact N-O 2.93Å; E103-Q114 CarbonylContact O-C 3.58Å; E103-Q114 VanDerWaalsContact O-CA 3.32Å; E103-Q114 WeakPolarHBondContact O-CA 3.42Å; D104-Q114 WeakPolarHBondContact OD1-CG 3.32Å; D104-Q114 PolarHBondContact OD1-NE2 2.66Å; D104-Q114 PolarHBondContact OD2-NE2 2.91Å
115I83.8Confident64.9Low0 Ų037.4 Ų37.40%021%0.207CC..EExtended strand (participates in β ladder)trans-97.8128.3171.3-48.1177.6000108I65 L67 F83 E103 V105 F113I65-I115 WeakPolarHBondContact O-CA 3.06Å; L67-I115 HydrophobicContact CD1-CG2 3.5Å; L67-I115 HydrophobicContact CG-CG2 4.03Å; F83-I115 HydrophobicContact CD1-CD1 4.1Å; F83-I115 HydrophobicContact CD2-CD1 3.18Å; F83-I115 HydrophobicContact CE1-CD1 3.96Å; F83-I115 HydrophobicContact CE2-CD1 3.01Å; F83-I115 HydrophobicContact CE2-CG1 4.39Å; F83-I115 HydrophobicContact CG-CD1 3.75Å; F83-I115 HydrophobicContact CZ-CD1 3.42Å; F83-I115 VanDerWaalsContact CZ-CD1 3.42Å; E103-I115 HydrophobicContact CB-CB 4.49Å; E103-I115 PolarHBondContact N-O 3.46Å; E103-I115 PolarHBondContact O-N 3.2Å; V105-I115 HydrophobicContact CG2-CD1 4.01Å; V105-I115 HydrophobicContact CG2-CG1 4.21Å; F113-I115 HydrophobicContact CD2-CD1 4.39Å; F113-I115 HydrophobicContact CD2-CG1 3.65Å; F113-I115 HydrophobicContact CE2-CD1 3.71Å; F113-I115 HydrophobicContact CE2-CG1 3.47Å; F113-I115 VanDerWaalsContact CE2-CG1 3.47Å
116W85.8Confident64.4Low12 Ų1240 Ų405%0.04522%0.219CC..EExtended strand (participates in β ladder)trans-115.5114.3175.3-67.327000108.3I65 L66 L67 I100 C101 R102 F118 I134I65-W116 PolarHBondContact O-N 3.12Å; L66-W116 HydrophobicContact CD2-CB 3.77Å; L66-W116 HydrophobicContact CD2-CD2 4.21Å; L66-W116 HydrophobicContact CD2-CE3 4.28Å; L66-W116 HydrophobicContact CD2-CG 4.03Å; L67-W116 PolarHBondContact N-O 2.72Å; I100-W116 HydrophobicContact CG2-CE3 4.36Å; C101-W116 WeakPolarHBondContact O-CA 3.45Å; R102-W116 HydrophobicContact CG-CD2 4.2Å; R102-W116 HydrophobicContact CG-CG 4.29Å; W116-F118 HydrophobicContact CB-CD2 4.33Å; W116-F118 HydrophobicContact CB-CE2 3.78Å; W116-F118 HydrophobicContact CE3-CE2 4.04Å; W116-F118 AromaticContact CE3-CZ 3.95Å; W116-F118 HydrophobicContact CE3-CZ 3.95Å; W116-I134 HydrophobicContact CE3-CG2 4.02Å; W116-I134 HydrophobicContact CH2-CG1 4.38Å; W116-I134 HydrophobicContact CZ3-CB 4.34Å; W116-I134 HydrophobicContact CZ3-CD1 4Å; W116-I134 HydrophobicContact CZ3-CG1 3.78Å; W116-I134 HydrophobicContact CZ3-CG2 3.78Å
117D83.4Confident64.3Low1 Ų142.9 Ų42.91%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-91.2117.9173.2-179.826.8000109.9K75 S76 I100 C101K75-D117 VanDerWaalsContact CB-OD1 3.3Å; K75-D117 WeakPolarHBondContact CB-OD1 3.47Å; S76-D117 WeakPolarHBondContact CB-OD2 3.45Å; S76-D117 PolarHBondContact OG-OD2 3.32Å; I100-D117 WeakPolarHBondContact CA-O 3.41Å; C101-D117 HydrophobicContact CB-CB 4.28Å; C101-D117 PolarHBondContact N-O 2.74Å; C101-D117 VanDerWaalsContact N-O 3.15Å; C101-D117 PolarHBondContact O-N 2.86Å
118F80.4Confident64.6Low13 Ų1342 Ų426%0.05724%0.236CC..PPolyproline II helixtrans-93.7132.7-179.3-81.2-102.7000111.3L66 L67 M68 K75 I100 W116 G120 I122 I134L66-F118 HydrophobicContact CD2-CE2 4Å; L67-F118 PolarHBondContact O-N 3.19Å; M68-F118 HydrophobicContact CG-CD2 4.37Å; K75-F118 WeakPolarHBondContact CE-O 3.46Å; I100-F118 HydrophobicContact CD1-CD1 3.96Å; I100-F118 HydrophobicContact CD1-CE1 3.53Å; I100-F118 HydrophobicContact CD1-CZ 4.04Å; I100-F118 HydrophobicContact CG1-CD1 4.09Å; I100-F118 HydrophobicContact CG1-CE1 4.14Å; I100-F118 HydrophobicContact CG2-CE2 4.49Å; W116-F118 HydrophobicContact CB-CD2 4.33Å; W116-F118 HydrophobicContact CB-CE2 3.78Å; W116-F118 HydrophobicContact CE3-CE2 4.04Å; W116-F118 AromaticContact CE3-CZ 3.95Å; W116-F118 HydrophobicContact CE3-CZ 3.95Å; F118-G120 PolarHBondContact O-N 2.83Å; F118-I122 HydrophobicContact CD1-CD1 4.43Å; F118-I134 HydrophobicContact CZ-CD1 4.27Å; F118-I134 HydrophobicContact CZ-CG2 4.1Å
119P75.9Confident65Low7 Ų744.5 Ų44.55%0.04525%0.247CC..PPolyproline II helixtrans-58.1130.2170.7-13.522.1000110.3T97 Q121 I122T97-P119 WeakPolarHBondContact O-CB 3.3Å; P119-Q121 PolarHBondContact O-N 2.88Å; P119-I122 HydrophobicContact CB-CD1 4.3Å; P119-I122 HydrophobicContact CB-CG1 3.89Å; P119-I122 VanDerWaalsContact CD-CD1 3.47Å; P119-I122 HydrophobicContact CG-CD1 3.61Å; P119-I122 HydrophobicContact CG-CG1 3.75Å; P119-I122 PolarHBondContact O-N 2.84Å; P119-I122 VanDerWaalsContact O-N 3.09Å
120G65.1Low65.9Low28 Ų2844.7 Ų44.729%0.28924%0.241SC..THydrogen-bonded Turntrans-68.9-0.3179.700000114.9F118F118-G120 PolarHBondContact O-N 2.83Å
121Q58.9Low66.8Low112 Ų11249.1 Ų49.152%0.52326%0.258SS..THydrogen-bonded Turntrans-102.3-8.3175.1-62178.626.300113.1R71 P119 D123R71-Q121 HydrophobicContact CG-CG 4.28Å; R71-Q121 VanDerWaalsContact NE-NE2 3.18Å; R71-Q121 VanDerWaalsContact NH1-NE2 3.2Å; P119-Q121 PolarHBondContact O-N 2.88Å; Q121-D123 PolarHBondContact O-N 2.81Å
122I57.8Low67.6Low29 Ų2952.5 Ų52.515%0.14927%0.273CS..  trans-65.3117.2178.1-67.7-172.8000107.6I100 F118 P119 F124 F129I100-I122 HydrophobicContact CD1-CD1 4.25Å; I100-I122 HydrophobicContact CG1-CD1 3.99Å; F118-I122 HydrophobicContact CD1-CD1 4.43Å; P119-I122 HydrophobicContact CB-CD1 4.3Å; P119-I122 HydrophobicContact CB-CG1 3.89Å; P119-I122 VanDerWaalsContact CD-CD1 3.47Å; P119-I122 HydrophobicContact CG-CD1 3.61Å; P119-I122 HydrophobicContact CG-CG1 3.75Å; P119-I122 PolarHBondContact O-N 2.84Å; P119-I122 VanDerWaalsContact O-N 3.09Å; I122-F124 PolarHBondContact O-N 3.35Å; I122-F129 HydrophobicContact CD1-CE1 4.39Å; I122-F129 HydrophobicContact CD1-CE2 4.29Å; I122-F129 HydrophobicContact CD1-CZ 3.93Å; I122-F129 HydrophobicContact CG2-CD2 4.45Å; I122-F129 HydrophobicContact CG2-CE2 4.38Å
123D56Low67.9Low80 Ų8056.6 Ų56.643%0.42829%0.292SS..  trans-75.4112167.4-152.225.4000107.5Q121 F125 D126 R157Q121-D123 PolarHBondContact O-N 2.81Å; D123-F125 PolarHBondContact O-N 2.84Å; D123-F125 VanDerWaalsContact OD1-CD2 3.24Å; D123-F125 WeakPolarHBondContact OD1-CD2 3.16Å; D123-D126 PolarHBondContact O-N 3.24Å; D123-D126 VanDerWaalsContact O-N 3.07Å; D123-R157 IonicContact OD1-CZ 2.73Å; D123-R157 IonicContact OD1-NH1 2.85Å; D123-R157 PolarHBondContact OD1-NH1 3.49Å; D123-R157 VanDerWaalsContact OD1-NH1 3.12Å; D123-R157 IonicContact OD1-NH2 3.83Å
124F54.1Low68.1Low41 Ų4156.9 Ų56.918%0.1829%0.294CS..THydrogen-bonded Turntrans-59.92.2179.6-57.8-67.9000114.1M68 I122 R164M68-F124 HydrophobicContact CE-CD1 3.87Å; M68-F124 HydrophobicContact CE-CE1 3.02Å; M68-F124 HydrophobicContact CE-CZ 3.43Å; M68-F124 VanDerWaalsContact CE-CZ 3.43Å; I122-F124 PolarHBondContact O-N 3.35Å; F124-R164 PolarHBondContact O-NH1 2.78Å
125F52.2Low68.1Low101 Ų10156.6 Ų56.644%0.44329%0.293SS..THydrogen-bonded Turntrans-100.8-4.2-178.1-58.8-95.9000112.5D123 P127 L160D123-F125 PolarHBondContact O-N 2.84Å; D123-F125 VanDerWaalsContact OD1-CD2 3.24Å; D123-F125 WeakPolarHBondContact OD1-CD2 3.16Å; F125-P127 VanDerWaalsContact O-CD 3.23Å; F125-P127 WeakPolarHBondContact O-CD 3.36Å; F125-L160 HydrophobicContact CE1-CD1 4.44Å; F125-L160 HydrophobicContact CE1-CD2 4.35Å; F125-L160 HydrophobicContact CE2-CD2 3.49Å; F125-L160 VanDerWaalsContact CE2-CD2 3.49Å; F125-L160 HydrophobicContact CZ-CD1 4Å; F125-L160 HydrophobicContact CZ-CD2 3.27Å; F125-L160 HydrophobicContact CZ-CG 4.24Å
126D57.8Low68Low72 Ų7264.8 Ų64.839%0.38532%0.324SS..  trans-71.9115.5175.4-162.8-31.9000109.8D123 T128 F129D123-D126 PolarHBondContact O-N 3.24Å; D123-D126 VanDerWaalsContact O-N 3.07Å; D126-T128 PolarHBondContact O-N 3.44Å; D126-T128 WeakPolarHBondContact OD1-CB 3.48Å; D126-T128 VanDerWaalsContact OD1-CG2 3.26Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.46Å; D126-T128 PolarHBondContact OD1-N 3.09Å; D126-T128 PolarHBondContact OD1-OG1 3.05Å; D126-T128 PolarHBondContact OD2-OG1 2.91Å; D126-F129 PolarHBondContact O-N 3.16Å
127P55.3Low67.5Low119 Ų11965.2 Ų65.277%0.77333%0.332SS*.THydrogen-bonded Turntrans-65.9-5.3-179.827.5-34.7000113.7F125 F129F125-P127 VanDerWaalsContact O-CD 3.23Å; F125-P127 WeakPolarHBondContact O-CD 3.36Å; P127-F129 VanDerWaalsContact C-N 3.29Å
128T57.6Low67.6Low95 Ų9565.4 Ų65.458%0.58333%0.333SS*.THydrogen-bonded Turntrans-72.7-19.1174.257.10000113.6D126D126-T128 PolarHBondContact O-N 3.44Å; D126-T128 WeakPolarHBondContact OD1-CB 3.48Å; D126-T128 VanDerWaalsContact OD1-CG2 3.26Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.46Å; D126-T128 PolarHBondContact OD1-N 3.09Å; D126-T128 PolarHBondContact OD1-OG1 3.05Å; D126-T128 PolarHBondContact OD2-OG1 2.91Å
129F62.1Low67.8Low55 Ų5565.6 Ų65.624%0.24134%0.338CS..SBendtrans-97122.1176.4-78.5-82.7000111.5I100 I122 D126 P127 Y131I100-F129 HydrophobicContact CD1-CD1 4.15Å; I100-F129 HydrophobicContact CD1-CE1 3.59Å; I100-F129 HydrophobicContact CD1-CZ 4.45Å; I122-F129 HydrophobicContact CD1-CE1 4.39Å; I122-F129 HydrophobicContact CD1-CE2 4.29Å; I122-F129 HydrophobicContact CD1-CZ 3.93Å; I122-F129 HydrophobicContact CG2-CD2 4.45Å; I122-F129 HydrophobicContact CG2-CE2 4.38Å; D126-F129 PolarHBondContact O-N 3.16Å; P127-F129 VanDerWaalsContact C-N 3.29Å; F129-Y131 WeakPolarHBondContact O-CD1 3.31Å; F129-Y131 PolarHBondContact O-N 2.98Å
130D67.2Low68.5Low89 Ų8965.2 Ų65.248%0.47634%0.336SS..  trans-78.868.3176.7-158.4-12.3000111.3E132 M133 I134D130-E132 PolarHBondContact O-N 3.27Å; D130-M133 HydrophobicContact CB-CB 4.33Å; D130-M133 PolarHBondContact O-N 3.39Å; D130-M133 VanDerWaalsContact O-N 3.13Å; D130-I134 WeakPolarHBondContact O-CG1 3.42Å; D130-I134 PolarHBondContact O-N 3.25Å
131Y71.6Confident69.8Low97 Ų9764 Ų6438%0.3832%0.323SS..Hα-helixtrans-60.8-28.8-176.150.1-96.8000112.8F129 I134 F135F129-Y131 WeakPolarHBondContact O-CD1 3.31Å; F129-Y131 PolarHBondContact O-N 2.98Å; Y131-I134 PolarHBondContact O-N 2.92Å; Y131-F135 WeakPolarHBondContact O-CD2 3.28Å; Y131-F135 WeakPolarHBondContact O-CG 3.5Å; Y131-F135 PolarHBondContact O-N 3.44Å
132E72.3Confident71.5Confident87 Ų8758.7 Ų58.741%0.40730%0.298SS..Hα-helixtrans-63.7-43.6175.1-68.7-163.7-178.900111.5D130 I134 R136 V168D130-E132 PolarHBondContact O-N 3.27Å; E132-I134 VanDerWaalsContact C-N 3.3Å; E132-I134 PolarHBondContact O-N 3.43Å; E132-R136 WeakPolarHBondContact O-CB 3.45Å; E132-R136 VanDerWaalsContact O-CG 3.24Å; E132-R136 WeakPolarHBondContact O-CG 3.44Å; E132-R136 PolarHBondContact O-N 3.22Å; E132-R136 VanDerWaalsContact O-N 3.11Å; E132-R136 IonicContact OE2-NH2 3.28Å; E132-V168 HydrophobicContact CB-CG1 4.46Å; E132-V168 HydrophobicContact CG-CG2 4.13Å; E132-V168 WeakPolarHBondContact O-CG1 3.3Å
133M73.6Confident73.3Confident126 Ų12657.3 Ų57.362%0.62129%0.291SS*.Hα-helixtrans-66.9-34.3177.8-170.4175.8-176.400112D130D130-M133 HydrophobicContact CB-CB 4.33Å; D130-M133 PolarHBondContact O-N 3.39Å; D130-M133 VanDerWaalsContact O-N 3.13Å
134I78.8Confident75.1Confident11 Ų1153.5 Ų53.56%0.05627%0.271CS..Hα-helixtrans-66.6-55.4178-61.7174.9000110L66 W116 F118 D130 Y131 E132 R136 G137 T138L66-I134 HydrophobicContact CD1-CG2 4.07Å; L66-I134 HydrophobicContact CD2-CG2 4.19Å; W116-I134 HydrophobicContact CE3-CG2 4.02Å; W116-I134 HydrophobicContact CH2-CG1 4.38Å; W116-I134 HydrophobicContact CZ3-CB 4.34Å; W116-I134 HydrophobicContact CZ3-CD1 4Å; W116-I134 HydrophobicContact CZ3-CG1 3.78Å; W116-I134 HydrophobicContact CZ3-CG2 3.78Å; F118-I134 HydrophobicContact CZ-CD1 4.27Å; F118-I134 HydrophobicContact CZ-CG2 4.1Å; D130-I134 WeakPolarHBondContact O-CG1 3.42Å; D130-I134 PolarHBondContact O-N 3.25Å; Y131-I134 PolarHBondContact O-N 2.92Å; E132-I134 VanDerWaalsContact C-N 3.3Å; E132-I134 PolarHBondContact O-N 3.43Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 3.38Å; I134-G137 PolarHBondContact O-N 3.11Å; I134-T138 PolarHBondContact O-OG1 3.04Å; I134-T138 VanDerWaalsContact O-OG1 3.1Å
135F80.9Confident77.1Confident14 Ų1451.6 Ų51.66%0.06126%0.262CS..Hα-helixtrans-68.3-28.1-175.5-66.2-50.1000113.6L66 M68 Y131 G137 T138 L141 A165 V168 N169 I172L66-F135 HydrophobicContact CD1-CD1 3.64Å; L66-F135 HydrophobicContact CD1-CE1 3.61Å; M68-F135 HydrophobicContact CE-CZ 4.3Å; M68-F135 HydrophobicContact SD-CE1 4.13Å; M68-F135 HydrophobicContact SD-CZ 4.46Å; Y131-F135 WeakPolarHBondContact O-CD2 3.28Å; Y131-F135 WeakPolarHBondContact O-CG 3.5Å; Y131-F135 PolarHBondContact O-N 3.44Å; F135-G137 PolarHBondContact O-N 3.06Å; F135-T138 PolarHBondContact O-N 3.16Å; F135-L141 HydrophobicContact CE1-CD1 3.96Å; F135-A165 HydrophobicContact CD1-CB 4.1Å; F135-A165 HydrophobicContact CE1-CB 4.21Å; F135-A165 HydrophobicContact CG-CB 4.28Å; F135-A165 HydrophobicContact CZ-CB 4.47Å; F135-V168 HydrophobicContact CB-CB 4.11Å; F135-V168 HydrophobicContact CB-CG1 3.92Å; F135-N169 PolarHBondContact O-ND2 2.63Å; F135-I172 HydrophobicContact CB-CD1 4.26Å
136R80.8Confident79Confident172 Ų17247.9 Ų47.965%0.64925%0.247SC*.Hα-helixtrans-61-30.2174.2-81-179.4-171-177.910.8113.7E132 I134 V168E132-R136 WeakPolarHBondContact O-CB 3.45Å; E132-R136 VanDerWaalsContact O-CG 3.24Å; E132-R136 WeakPolarHBondContact O-CG 3.44Å; E132-R136 PolarHBondContact O-N 3.22Å; E132-R136 VanDerWaalsContact O-N 3.11Å; E132-R136 IonicContact OE2-NH2 3.28Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 3.38Å; R136-V168 HydrophobicContact CG-CG1 3.69Å
137G76.4Confident80.6Confident21 Ų2144.9 Ų44.922%0.21623%0.232CC..THydrogen-bonded Turntrans-94.50.9179.700000114.4R64 I134 F135R64-G137 WeakPolarHBondContact CG-O 3.2Å; I134-G137 PolarHBondContact O-N 3.11Å; F135-G137 PolarHBondContact O-N 3.06Å
138T84.3Confident82.2Confident5 Ų544.3 Ų44.33%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-88.6133-174.6-62.80000111.3L66 I134 F135 A140 N169 I172L66-T138 HydrophobicContact CD1-CG2 3.8Å; L66-T138 VanDerWaalsContact CD1-OG1 3.26Å; L66-T138 WeakPolarHBondContact CD1-OG1 3.44Å; L66-T138 HydrophobicContact CG-CG2 3.64Å; L66-T138 WeakPolarHBondContact CG-OG1 3.06Å; I134-T138 PolarHBondContact O-OG1 3.04Å; I134-T138 VanDerWaalsContact O-OG1 3.1Å; F135-T138 PolarHBondContact O-N 3.16Å; T138-A140 WeakPolarHBondContact CG2-O 3.03Å; T138-N169 PolarHBondContact O-ND2 3.09Å; T138-I172 HydrophobicContact CG2-CG2 4.37Å
139G85.5Confident83.7Confident16 Ų1645.4 Ų45.417%0.16522%0.221CC..EExtended strand (participates in β ladder)trans-96.2-35.2172.900000112.8R64 N173 L237R64-G139 PolarHBondContact O-N 2.87Å; G139-N173 PolarHBondContact O-N 3.48Å; G139-L237 WeakPolarHBondContact O-CD2 3.38Å
140A90.9Very high85Confident0 Ų047.9 Ų47.90%024%0.237CC..EExtended strand (participates in β ladder)trans-141.1142.6176.900000111.3R64 I65 L66 T138 N173 V233 L237R64-A140 PolarHBondContact O-N 3.04Å; I65-A140 WeakPolarHBondContact CA-O 3.45Å; L66-A140 PolarHBondContact N-O 2.85Å; T138-A140 WeakPolarHBondContact CG2-O 3.03Å; A140-N173 CarbonylContact C-O 3.59Å; A140-N173 WeakPolarHBondContact CA-O 3.5Å; A140-N173 HydrophobicContact CB-CB 4.19Å; A140-V233 HydrophobicContact CB-CG1 3.81Å; A140-L237 HydrophobicContact CB-CD1 4.09Å; A140-L237 HydrophobicContact CB-CD2 3.88Å; A140-L237 HydrophobicContact CB-CG 4.25Å
141L92.6Very high86Confident2 Ų245.9 Ų45.91%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-116.1116.2173.3-172.7156.5000108M68 F135 F143 T161 A165 I172 N173 F174 E175M68-L141 HydrophobicContact SD-CD1 3.62Å; M68-L141 HydrophobicContact SD-CD2 4.32Å; M68-L141 HydrophobicContact SD-CG 3.92Å; F135-L141 HydrophobicContact CE1-CD1 3.96Å; L141-F143 HydrophobicContact CD2-CB 4.19Å; L141-T161 HydrophobicContact CD1-CG2 3.95Å; L141-T161 HydrophobicContact CD2-CG2 4.47Å; L141-A165 HydrophobicContact CD1-CB 4.05Å; L141-I172 HydrophobicContact CB-CG2 3.92Å; L141-N173 PolarHBondContact N-O 3.07Å; L141-F174 HydrophobicContact CB-CD1 4.19Å; L141-F174 HydrophobicContact CB-CE1 4.43Å; L141-F174 HydrophobicContact CD1-CE1 4.29Å; L141-F174 HydrophobicContact CD2-CD1 4.43Å; L141-E175 PolarHBondContact O-N 3.07Å
142I94.8Very high86.9Confident0 Ų045.8 Ų45.80%023%0.227CC..EExtended strand (participates in β ladder)trans-100.1116.9175.3-59.2173.9000107.9I65 L66 L67 M68 V144 E175 F177 F230 V233I65-I142 HydrophobicContact CG2-CD1 3.5Å; I65-I142 HydrophobicContact CG2-CG1 3.97Å; L66-I142 PolarHBondContact O-N 2.79Å; L67-I142 HydrophobicContact CD2-CB 3.83Å; L67-I142 HydrophobicContact CD2-CD1 4.06Å; L67-I142 HydrophobicContact CD2-CG2 3.79Å; M68-I142 PolarHBondContact N-O 2.95Å; I142-V144 HydrophobicContact CG2-CG2 4.28Å; I142-E175 CarbonylContact C-O 3.49Å; I142-E175 VanDerWaalsContact CA-O 3.28Å; I142-E175 WeakPolarHBondContact CA-O 3.48Å; I142-E175 HydrophobicContact CG1-CB 4.28Å; I142-F177 HydrophobicContact CD1-CE2 4.18Å; I142-F177 HydrophobicContact CD1-CZ 3.98Å; I142-F177 HydrophobicContact CG1-CZ 4.46Å; I142-F177 HydrophobicContact CG2-CB 4.41Å; I142-F177 HydrophobicContact CG2-CD1 3.93Å; I142-F177 HydrophobicContact CG2-CD2 3.54Å; I142-F177 HydrophobicContact CG2-CE1 4.02Å; I142-F177 HydrophobicContact CG2-CE2 3.64Å; I142-F177 HydrophobicContact CG2-CG 3.69Å; I142-F177 HydrophobicContact CG2-CZ 3.89Å; I142-F230 HydrophobicContact CD1-CD1 4.3Å; I142-F230 HydrophobicContact CD1-CE1 3.69Å; I142-F230 HydrophobicContact CD1-CZ 3.92Å; I142-V233 HydrophobicContact CD1-CG1 4.1Å; I142-V233 HydrophobicContact CD1-CG2 4.35Å; I142-V233 HydrophobicContact CG1-CG1 4.24Å; I142-V233 HydrophobicContact CG1-CG2 4.46Å
143F94.6Very high87.7Confident1 Ų147.4 Ų47.40%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-103.6119.5174.7-163.5-85.5000110.5M68 L141 I145 A154 R157 L158 E175 V176 F177M68-F143 HydrophobicContact CB-CD2 4.08Å; M68-F143 CarbonylContact O-C 3.56Å; M68-F143 WeakPolarHBondContact O-CA 3.34Å; L141-F143 HydrophobicContact CD2-CB 4.19Å; F143-I145 HydrophobicContact CD1-CD1 4.4Å; F143-I145 HydrophobicContact CD1-CG1 3.75Å; F143-I145 HydrophobicContact CE1-CG1 3.92Å; F143-A154 HydrophobicContact CE1-CB 4.49Å; F143-A154 WeakPolarHBondContact CE1-O 3.4Å; F143-A154 WeakPolarHBondContact CZ-O 3.5Å; F143-R157 HydrophobicContact CZ-CB 4.06Å; F143-L158 HydrophobicContact CB-CD1 3.57Å; F143-L158 HydrophobicContact CD1-CB 3.96Å; F143-L158 HydrophobicContact CD1-CD1 3.78Å; F143-L158 HydrophobicContact CD1-CG 4.37Å; F143-L158 HydrophobicContact CD2-CB 4.48Å; F143-L158 HydrophobicContact CD2-CD1 3.97Å; F143-L158 HydrophobicContact CE1-CB 3.78Å; F143-L158 HydrophobicContact CE1-CD1 4.46Å; F143-L158 HydrophobicContact CE2-CB 4.32Å; F143-L158 HydrophobicContact CG-CB 4.3Å; F143-L158 HydrophobicContact CG-CD1 3.5Å; F143-L158 VanDerWaalsContact CG-CD1 3.5Å; F143-L158 HydrophobicContact CG-CG 4.48Å; F143-L158 HydrophobicContact CZ-CB 3.97Å; F143-E175 PolarHBondContact N-O 3.08Å; F143-V176 CarbonylContact O-C 3.54Å; F143-V176 WeakPolarHBondContact O-CA 3.34Å; F143-F177 PolarHBondContact O-N 3.45Å
144V94.5Very high88.6Confident0 Ų041.5 Ų41.50%021%0.206CC..EExtended strand (participates in β ladder)trans-97.8114.7-175.3-173.70000110.1L67 M68 S73 K75 I78 I142 F177 H179L67-V144 HydrophobicContact CD2-CG2 4.43Å; M68-V144 PolarHBondContact O-N 2.94Å; S73-V144 WeakPolarHBondContact CB-O 3.41Å; S73-V144 WeakPolarHBondContact O-CG1 3.29Å; S73-V144 PolarHBondContact OG-O 2.86Å; K75-V144 HydrophobicContact CG-CB 4.07Å; K75-V144 HydrophobicContact CG-CG2 3.91Å; I78-V144 HydrophobicContact CD1-CG1 3.92Å; I78-V144 HydrophobicContact CD1-CG2 4.01Å; I142-V144 HydrophobicContact CG2-CG2 4.28Å; V144-F177 HydrophobicContact CG2-CB 4.43Å; V144-H179 HydrophobicContact CG1-CB 3.66Å
145I94.4Very high89.2Confident0 Ų041.3 Ų41.30%021%0.205CC..EExtended strand (participates in β ladder)trans-103.3129.3175.6-57.7-178.1000108.5F143 A154 L155 L158 V176 F177 H179 I196F143-I145 HydrophobicContact CD1-CD1 4.4Å; F143-I145 HydrophobicContact CD1-CG1 3.75Å; F143-I145 HydrophobicContact CE1-CG1 3.92Å; I145-A154 HydrophobicContact CG1-CB 4.31Å; I145-A154 HydrophobicContact CG2-CB 4.04Å; I145-L155 HydrophobicContact CD1-CD2 4.14Å; I145-L158 HydrophobicContact CD1-CD2 4.36Å; I145-V176 HydrophobicContact CD1-CG1 3.6Å; I145-V176 HydrophobicContact CG1-CG1 4.07Å; I145-F177 PolarHBondContact N-O 2.96Å; I145-H179 WeakPolarHBondContact O-CB 3.25Å; I145-H179 PolarHBondContact O-N 3.07Å; I145-I196 HydrophobicContact CD1-CG2 4.1Å; I145-I196 HydrophobicContact CG2-CD1 4.24Å
146D93.4Very high89.6Confident23 Ų2343.5 Ų43.512%0.12323%0.225CC..EExtended strand (participates in β ladder)trans-78.8121.6171.8-165.3-20.9000109.4Q148 D149 K180D146-Q148 PolarHBondContact OD1-N 3.27Å; D146-D149 HydrophobicContact CB-CB 4.33Å; D146-K180 WeakPolarHBondContact OD1-CD 3.45Å; D146-K180 WeakPolarHBondContact OD2-CE 3.36Å; D146-K180 IonicContact OD2-NZ 2.63Å; D146-K180 PolarHBondContact OD2-NZ 3.34Å
147S91.4Very high89.9Confident10 Ų1038.7 Ų38.77%0.0721%0.207CC..SBendtrans-83.4-10.9179.762.50000114.1H179 K180 L184S147-H179 WeakPolarHBondContact CB-O 3.46Å; S147-H179 PolarHBondContact N-O 3.43Å; S147-H179 PolarHBondContact OG-O 3.31Å; S147-K180 PolarHBondContact OG-O 3.47Å; S147-L184 WeakPolarHBondContact OG-CD1 3.37Å
148Q89.4Confident90.7Very high107 Ų10737.9 Ų37.950%0.520%0.198SC..SBendtrans-92.5-13.1178.7-60.4-174.93.700113.1D146 K180D146-Q148 PolarHBondContact OD1-N 3.27Å; Q148-K180 HydrophobicContact CG-CB 4.08Å; Q148-K180 WeakPolarHBondContact CG-O 3.1Å; Q148-K180 PolarHBondContact NE2-O 3.16Å
149D88.7Confident90.9Very high118 Ų11840.1 Ų40.163%0.63121%0.208SC*.SBendtrans-110.4172.4178.9-156.7-2.2000110.9D146 Y151D146-D149 HydrophobicContact CB-CB 4.33Å; D149-Y151 PolarHBondContact O-N 2.94Å; D149-Y151 VanDerWaalsContact O-N 3.09Å
150D88.6Confident91.1Very high107 Ų10741.5 Ų41.557%0.57221%0.212SC*.  trans-66.6108.4174.2-1744.7000110.9M152D150-M152 VanDerWaalsContact C-N 3.32Å; D150-M152 PolarHBondContact O-N 3.46Å; D150-M152 WeakPolarHBondContact OD1-CB 3.28Å; D150-M152 WeakPolarHBondContact OD1-CG 3.48Å; D150-M152 PolarHBondContact OD1-N 3.3Å; D150-M152 VanDerWaalsContact OD1-N 3.11Å
151Y89.4Confident90.9Very high46 Ų4641.8 Ų41.818%0.1821%0.213CC..  trans-83.5-0-17752.5-100.4000113.9D149 E153 A154 L155 T192 D195 I196D149-Y151 PolarHBondContact O-N 2.94Å; D149-Y151 VanDerWaalsContact O-N 3.09Å; Y151-E153 PolarHBondContact O-N 3.07Å; Y151-A154 WeakPolarHBondContact O-CB 3.41Å; Y151-A154 PolarHBondContact O-N 3.48Å; Y151-A154 VanDerWaalsContact O-N 3.09Å; Y151-L155 HydrophobicContact CD2-CD1 3.77Å; Y151-L155 HydrophobicContact CD2-CG 4.32Å; Y151-L155 HydrophobicContact CE2-CD1 4.23Å; Y151-L155 WeakPolarHBondContact O-CG 3.32Å; Y151-L155 PolarHBondContact O-N 3.28Å; Y151-T192 HydrophobicContact CE1-CG2 4.32Å; Y151-D195 PolarHBondContact OH-OD2 3.1Å; Y151-I196 HydrophobicContact CD1-CD1 4.37Å; Y151-I196 HydrophobicContact CD2-CD1 4.44Å; Y151-I196 HydrophobicContact CD2-CG1 3.97Å; Y151-I196 HydrophobicContact CE2-CG1 4.06Å; Y151-I196 HydrophobicContact CG-CD1 4.23Å; Y151-I196 HydrophobicContact CG-CG1 4.25Å
152M89.8Confident90.8Very high96 Ų9641.8 Ų41.847%0.47321%0.213SC..Hα-helixtrans-60.7-43.4-179.9-69.5-72.5-95.800112.3D150 A154 L155 A156D150-M152 VanDerWaalsContact C-N 3.32Å; D150-M152 PolarHBondContact O-N 3.46Å; D150-M152 WeakPolarHBondContact OD1-CB 3.28Å; D150-M152 WeakPolarHBondContact OD1-CG 3.48Å; D150-M152 PolarHBondContact OD1-N 3.3Å; D150-M152 VanDerWaalsContact OD1-N 3.11Å; M152-A154 VanDerWaalsContact C-N 3.31Å; M152-A154 PolarHBondContact O-N 2.77Å; M152-L155 PolarHBondContact O-N 3.47Å; M152-A156 PolarHBondContact O-N 3.38Å
153E89.8Confident90.5Very high121 Ų12142.7 Ų42.757%0.56522%0.219SC*.Hα-helixtrans-67.8-33.9174.6-176167.4177.500111.7L70 Y151 A156 R157L70-E153 HydrophobicContact CD1-CB 4.35Å; L70-E153 HydrophobicContact CD1-CG 4.43Å; L70-E153 HydrophobicContact CD2-CG 4.4Å; Y151-E153 PolarHBondContact O-N 3.07Å; E153-A156 PolarHBondContact O-N 3.08Å; E153-R157 WeakPolarHBondContact O-CG 3.47Å; E153-R157 PolarHBondContact O-N 3.21Å
154A90.9Very high90Very high2 Ų245.8 Ų45.82%0.01723%0.23CC..Hα-helixtrans-65.6-41.6178.300000111.3L70 F143 I145 Y151 M152 R157 L158L70-A154 HydrophobicContact CD1-CB 3.64Å; L70-A154 HydrophobicContact CG-CB 3.99Å; F143-A154 HydrophobicContact CE1-CB 4.49Å; F143-A154 WeakPolarHBondContact CE1-O 3.4Å; F143-A154 WeakPolarHBondContact CZ-O 3.5Å; I145-A154 HydrophobicContact CG1-CB 4.31Å; I145-A154 HydrophobicContact CG2-CB 4.04Å; Y151-A154 WeakPolarHBondContact O-CB 3.41Å; Y151-A154 PolarHBondContact O-N 3.48Å; Y151-A154 VanDerWaalsContact O-N 3.09Å; M152-A154 VanDerWaalsContact C-N 3.31Å; M152-A154 PolarHBondContact O-N 2.77Å; A154-R157 PolarHBondContact O-N 3.31Å; A154-L158 WeakPolarHBondContact O-CB 3.3Å; A154-L158 PolarHBondContact O-N 3.05Å
155L91.6Very high89.7Confident6 Ų645.8 Ų45.83%0.03123%0.23CC..Hα-helixtrans-63.5-45175.9-73.7175.7000112I145 Y151 M152 R157 L158 H159 I196 R199 A200I145-L155 HydrophobicContact CD1-CD2 4.14Å; Y151-L155 HydrophobicContact CD2-CD1 3.77Å; Y151-L155 HydrophobicContact CD2-CG 4.32Å; Y151-L155 HydrophobicContact CE2-CD1 4.23Å; Y151-L155 WeakPolarHBondContact O-CG 3.32Å; Y151-L155 PolarHBondContact O-N 3.28Å; M152-L155 PolarHBondContact O-N 3.47Å; L155-R157 VanDerWaalsContact C-N 3.31Å; L155-R157 PolarHBondContact O-N 2.95Å; L155-L158 HydrophobicContact CD2-CD2 4.29Å; L155-L158 WeakPolarHBondContact O-CB 3.22Å; L155-L158 PolarHBondContact O-N 3.47Å; L155-H159 PolarHBondContact O-N 3.18Å; L155-I196 HydrophobicContact CD2-CG2 4.15Å; L155-R199 HydrophobicContact CD1-CB 3.89Å; L155-A200 HydrophobicContact CD2-CB 4.09Å
156A89.5Confident89.4Confident60 Ų6048.1 Ų48.150%0.49624%0.24SC..Hα-helixtrans-60.4-41.4176.200000112M152 E153 L160M152-A156 PolarHBondContact O-N 3.38Å; E153-A156 PolarHBondContact O-N 3.08Å; A156-L160 PolarHBondContact O-N 3.2Å
157R88.3Confident89.1Confident71 Ų7155 Ų5527%0.26827%0.268SS..Hα-helixtrans-69.5-36.9175.5-72.5-75.8-171.2162.5-3.4112.4L70 D123 F143 E153 A154 L155 T161L70-R157 HydrophobicContact CD2-CB 4.34Å; L70-R157 HydrophobicContact CD2-CG 3.92Å; D123-R157 IonicContact OD1-CZ 2.73Å; D123-R157 IonicContact OD1-NH1 2.85Å; D123-R157 PolarHBondContact OD1-NH1 3.49Å; D123-R157 VanDerWaalsContact OD1-NH1 3.12Å; D123-R157 IonicContact OD1-NH2 3.83Å; F143-R157 HydrophobicContact CZ-CB 4.06Å; E153-R157 WeakPolarHBondContact O-CG 3.47Å; E153-R157 PolarHBondContact O-N 3.21Å; A154-R157 PolarHBondContact O-N 3.31Å; L155-R157 VanDerWaalsContact C-N 3.31Å; L155-R157 PolarHBondContact O-N 2.95Å; R157-T161 WeakPolarHBondContact O-CB 3.41Å; R157-T161 PolarHBondContact O-N 3.15Å; R157-T161 PolarHBondContact O-OG1 3.04Å
158L91.4Very high88.8Confident4 Ų456.3 Ų56.32%0.02128%0.276CS..Hα-helixtrans-58.2-53.3173.5171.267.8000109.7F143 I145 A154 L155 L160 T161 V162 V176 A200F143-L158 HydrophobicContact CB-CD1 3.57Å; F143-L158 HydrophobicContact CD1-CB 3.96Å; F143-L158 HydrophobicContact CD1-CD1 3.78Å; F143-L158 HydrophobicContact CD1-CG 4.37Å; F143-L158 HydrophobicContact CD2-CB 4.48Å; F143-L158 HydrophobicContact CD2-CD1 3.97Å; F143-L158 HydrophobicContact CE1-CB 3.78Å; F143-L158 HydrophobicContact CE1-CD1 4.46Å; F143-L158 HydrophobicContact CE2-CB 4.32Å; F143-L158 HydrophobicContact CG-CB 4.3Å; F143-L158 HydrophobicContact CG-CD1 3.5Å; F143-L158 VanDerWaalsContact CG-CD1 3.5Å; F143-L158 HydrophobicContact CG-CG 4.48Å; F143-L158 HydrophobicContact CZ-CB 3.97Å; I145-L158 HydrophobicContact CD1-CD2 4.36Å; A154-L158 WeakPolarHBondContact O-CB 3.3Å; A154-L158 PolarHBondContact O-N 3.05Å; L155-L158 HydrophobicContact CD2-CD2 4.29Å; L155-L158 WeakPolarHBondContact O-CB 3.22Å; L155-L158 PolarHBondContact O-N 3.47Å; L158-L160 VanDerWaalsContact C-N 3.34Å; L158-L160 PolarHBondContact O-N 3.32Å; L158-T161 PolarHBondContact O-N 3.32Å; L158-T161 VanDerWaalsContact O-N 3.09Å; L158-V162 HydrophobicContact CD1-CG2 3.68Å; L158-V162 HydrophobicContact CG-CG2 4.21Å; L158-V162 WeakPolarHBondContact O-CG2 3.13Å; L158-V162 PolarHBondContact O-N 3.2Å; L158-V176 HydrophobicContact CD1-CG2 4.03Å; L158-V176 HydrophobicContact CD2-CG2 4.01Å; L158-A200 HydrophobicContact CD2-CB 4.18Å
159H90Very high88.6Confident53 Ų5352.7 Ų52.725%0.24526%0.26CS..Hα-helixtrans-55.8-47.1-179179.277.6000112.3L155 T161 T163 D203L155-H159 PolarHBondContact O-N 3.18Å; H159-T161 PolarHBondContact O-N 3.16Å; H159-T163 VanDerWaalsContact O-CB 3.29Å; H159-T163 WeakPolarHBondContact O-CB 3.33Å; H159-T163 PolarHBondContact O-N 2.7Å; H159-T163 PolarHBondContact O-OG1 3.28Å; H159-D203 PolarHBondContact CE1-O 2.89Å; H159-D203 PolarHBondContact ND1-O 3.04Å
160L88.2Confident88.4Confident45 Ų4551 Ų5124%0.23625%0.254CS..Hα-helixtrans-60.2-44.2176.3177.171.1000112.2F125 A156 L158 R164F125-L160 HydrophobicContact CE1-CD1 4.44Å; F125-L160 HydrophobicContact CE1-CD2 4.35Å; F125-L160 HydrophobicContact CE2-CD2 3.49Å; F125-L160 VanDerWaalsContact CE2-CD2 3.49Å; F125-L160 HydrophobicContact CZ-CD1 4Å; F125-L160 HydrophobicContact CZ-CD2 3.27Å; F125-L160 HydrophobicContact CZ-CG 4.24Å; A156-L160 PolarHBondContact O-N 3.2Å; L158-L160 VanDerWaalsContact C-N 3.34Å; L158-L160 PolarHBondContact O-N 3.32Å; L160-R164 WeakPolarHBondContact O-CG 3.02Å; L160-R164 PolarHBondContact O-N 3.27Å
161T88.4Confident88.3Confident5 Ų552.1 Ų52.13%0.03126%0.26CS..Hα-helixtrans-67-48.2-177.2-56.20000110.8M68 L141 R157 L158 H159 R164 A165M68-T161 HydrophobicContact CE-CG2 3.82Å; M68-T161 HydrophobicContact SD-CG2 3.7Å; L141-T161 HydrophobicContact CD1-CG2 3.95Å; L141-T161 HydrophobicContact CD2-CG2 4.47Å; R157-T161 WeakPolarHBondContact O-CB 3.41Å; R157-T161 PolarHBondContact O-N 3.15Å; R157-T161 PolarHBondContact O-OG1 3.04Å; L158-T161 PolarHBondContact O-N 3.32Å; L158-T161 VanDerWaalsContact O-N 3.09Å; H159-T161 PolarHBondContact O-N 3.16Å; T161-R164 PolarHBondContact O-N 3.02Å; T161-A165 WeakPolarHBondContact O-CB 3.23Å; T161-A165 PolarHBondContact O-N 2.87Å
162V89.7Confident88.3Confident2 Ų250.3 Ų50.31%0.01225%0.253CS..Hα-helixtrans-61.3-47.8179172.50000110.7L158 R164 A165 Y166 F174 L204 I212 L214L158-V162 HydrophobicContact CD1-CG2 3.68Å; L158-V162 HydrophobicContact CG-CG2 4.21Å; L158-V162 WeakPolarHBondContact O-CG2 3.13Å; L158-V162 PolarHBondContact O-N 3.2Å; V162-R164 VanDerWaalsContact C-N 3.28Å; V162-R164 PolarHBondContact O-N 2.9Å; V162-A165 PolarHBondContact O-N 2.79Å; V162-Y166 VanDerWaalsContact O-CB 3.27Å; V162-Y166 WeakPolarHBondContact O-CB 3.35Å; V162-Y166 PolarHBondContact O-N 2.88Å; V162-F174 HydrophobicContact CB-CD1 4.36Å; V162-F174 HydrophobicContact CB-CE1 4.26Å; V162-F174 HydrophobicContact CG1-CD1 4.12Å; V162-F174 HydrophobicContact CG1-CD2 4.43Å; V162-F174 HydrophobicContact CG1-CE1 4.05Å; V162-F174 HydrophobicContact CG1-CE2 4.37Å; V162-F174 HydrophobicContact CG1-CG 4.3Å; V162-F174 HydrophobicContact CG1-CZ 4.17Å; V162-F174 HydrophobicContact CG2-CD1 3.85Å; V162-F174 HydrophobicContact CG2-CE1 4.18Å; V162-F174 HydrophobicContact CG2-CG 4.47Å; V162-L204 HydrophobicContact CG1-CD2 4.03Å; V162-I212 HydrophobicContact CG1-CD1 3.82Å; V162-I212 HydrophobicContact CG1-CG2 3.9Å; V162-L214 HydrophobicContact CG1-CD2 4.43Å; V162-L214 HydrophobicContact CG2-CD2 4.22Å
163T88Confident88.4Confident20 Ų2048.2 Ų48.212%0.12324%0.244CC..Hα-helixtrans-58.8-39.1179.7-64.10000112.3H159 K167 L209H159-T163 VanDerWaalsContact O-CB 3.29Å; H159-T163 WeakPolarHBondContact O-CB 3.33Å; H159-T163 PolarHBondContact O-N 2.7Å; H159-T163 PolarHBondContact O-OG1 3.28Å; T163-K167 VanDerWaalsContact O-CG 3.25Å; T163-K167 WeakPolarHBondContact O-CG 3.25Å; T163-K167 PolarHBondContact O-N 2.86Å; T163-L209 HydrophobicContact CG2-CD1 3.99Å
164R85.4Confident88.5Confident65 Ų6542.8 Ų42.825%0.24522%0.219CC..Hα-helixtrans-74.9-46.4178.4-74.3178.7171.8-160.6-5.1112.5F124 L160 T161 V162 Y166 K167 V168F124-R164 PolarHBondContact O-NH1 2.78Å; L160-R164 WeakPolarHBondContact O-CG 3.02Å; L160-R164 PolarHBondContact O-N 3.27Å; T161-R164 PolarHBondContact O-N 3.02Å; V162-R164 VanDerWaalsContact C-N 3.28Å; V162-R164 PolarHBondContact O-N 2.9Å; R164-Y166 VanDerWaalsContact C-N 3.3Å; R164-Y166 PolarHBondContact O-N 3.47Å; R164-K167 WeakPolarHBondContact O-CB 3.3Å; R164-K167 PolarHBondContact O-N 2.99Å; R164-V168 PolarHBondContact O-N 3.28Å
165A87.6Confident88.8Confident0 Ų042.9 Ų42.90%022%0.219CC..Hα-helixtrans-59.2-44.3178.300000110.8F135 L141 T161 V162 K167 V168 N169 I172 F174F135-A165 HydrophobicContact CD1-CB 4.1Å; F135-A165 HydrophobicContact CE1-CB 4.21Å; F135-A165 HydrophobicContact CG-CB 4.28Å; F135-A165 HydrophobicContact CZ-CB 4.47Å; L141-A165 HydrophobicContact CD1-CB 4.05Å; T161-A165 WeakPolarHBondContact O-CB 3.23Å; T161-A165 PolarHBondContact O-N 2.87Å; V162-A165 PolarHBondContact O-N 2.79Å; A165-K167 VanDerWaalsContact C-N 3.33Å; A165-K167 PolarHBondContact O-N 3.28Å; A165-V168 PolarHBondContact O-N 3.19Å; A165-V168 VanDerWaalsContact O-N 3.09Å; A165-N169 PolarHBondContact O-N 3.14Å; A165-I172 HydrophobicContact CB-CD1 4.11Å; A165-F174 HydrophobicContact CB-CE1 3.74Å; A165-F174 HydrophobicContact CB-CZ 3.92Å
166Y88.6Confident89Confident50 Ų5042.7 Ų42.720%0.19622%0.218CC..Hα-helixtrans-64.7-33.4178.6-169.6-105.7000113.4V162 R164 V168 T170 F174 L209 I212V162-Y166 VanDerWaalsContact O-CB 3.27Å; V162-Y166 WeakPolarHBondContact O-CB 3.35Å; V162-Y166 PolarHBondContact O-N 2.88Å; R164-Y166 VanDerWaalsContact C-N 3.3Å; R164-Y166 PolarHBondContact O-N 3.47Å; Y166-V168 VanDerWaalsContact C-N 3.27Å; Y166-V168 PolarHBondContact O-N 2.95Å; Y166-T170 HydrophobicContact CD2-CG2 4.48Å; Y166-T170 HydrophobicContact CE1-CG2 4.31Å; Y166-T170 HydrophobicContact CE2-CG2 4.09Å; Y166-F174 HydrophobicContact CD2-CE2 4.04Å; Y166-L209 HydrophobicContact CD1-CD2 4.09Å; Y166-L209 HydrophobicContact CE1-CD2 4.27Å; Y166-I212 HydrophobicContact CD1-CD1 3.77Å; Y166-I212 HydrophobicContact CD1-CG1 4.13Å; Y166-I212 HydrophobicContact CD2-CD1 3.85Å; Y166-I212 HydrophobicContact CD2-CG1 3.79Å; Y166-I212 HydrophobicContact CE1-CD1 4.32Å; Y166-I212 HydrophobicContact CE1-CG1 4.2Å; Y166-I212 HydrophobicContact CE2-CD1 4.38Å; Y166-I212 HydrophobicContact CE2-CG1 3.86Å; Y166-I212 HydrophobicContact CG-CD1 3.5Å; Y166-I212 VanDerWaalsContact CG-CD1 3.5Å; Y166-I212 HydrophobicContact CG-CG1 3.91Å
167K86.7Confident89.3Confident167 Ų16739.8 Ų39.873%0.72619%0.194SC*.Hα-helixtrans-64.2-32.5173.4-78.4172.7-177-178.40112.7T163 R164 A165T163-K167 VanDerWaalsContact O-CG 3.25Å; T163-K167 WeakPolarHBondContact O-CG 3.25Å; T163-K167 PolarHBondContact O-N 2.86Å; R164-K167 WeakPolarHBondContact O-CB 3.3Å; R164-K167 PolarHBondContact O-N 2.99Å; A165-K167 VanDerWaalsContact C-N 3.33Å; A165-K167 PolarHBondContact O-N 3.28Å
168V85.8Confident89.6Confident37 Ų3736.4 Ų36.422%0.22418%0.181CC..Hα-helixtrans-85.2-44.3-179177.60000111.3E132 F135 R136 R164 A165 Y166E132-V168 HydrophobicContact CB-CG1 4.46Å; E132-V168 HydrophobicContact CG-CG2 4.13Å; E132-V168 WeakPolarHBondContact O-CG1 3.3Å; F135-V168 HydrophobicContact CB-CB 4.11Å; F135-V168 HydrophobicContact CB-CG1 3.92Å; R136-V168 HydrophobicContact CG-CG1 3.69Å; R164-V168 PolarHBondContact O-N 3.28Å; A165-V168 PolarHBondContact O-N 3.19Å; A165-V168 VanDerWaalsContact O-N 3.09Å; Y166-V168 VanDerWaalsContact C-N 3.27Å; Y166-V168 PolarHBondContact O-N 2.95Å
169N83.6Confident89.8Confident31 Ų3136.4 Ų36.417%0.16618%0.181CC..  trans-144.9116.1-177.9179.98.6000109.9F135 T138 A165 D171 I172F135-N169 PolarHBondContact O-ND2 2.63Å; T138-N169 PolarHBondContact O-ND2 3.09Å; A165-N169 PolarHBondContact O-N 3.14Å; N169-D171 VanDerWaalsContact C-N 3.3Å; N169-D171 PolarHBondContact OD1-N 3.29Å; N169-I172 HydrophobicContact CB-CD1 3.8Å; N169-I172 HydrophobicContact CB-CG1 3.83Å; N169-I172 WeakPolarHBondContact ND2-CG1 3.34Å
170T85.2Confident89.9Confident83 Ų8336.5 Ų36.551%0.50918%0.181SC..THydrogen-bonded Turntrans-78-15.4-179.252.50000113.5Y166 I172Y166-T170 HydrophobicContact CD2-CG2 4.48Å; Y166-T170 HydrophobicContact CE1-CG2 4.31Å; Y166-T170 HydrophobicContact CE2-CG2 4.09Å; T170-I172 VanDerWaalsContact C-N 3.34Å
171D85.6Confident90.1Very high131 Ų13134.5 Ų34.570%0.70117%0.171SC*.THydrogen-bonded Turntrans-94.79.7-173.4-58.8-14.7000112.3N169N169-D171 VanDerWaalsContact C-N 3.3Å; N169-D171 PolarHBondContact OD1-N 3.29Å
172I89.8Confident90.1Very high7 Ų737.9 Ų37.94%0.03619%0.188CC..PPolyproline II helixtrans-74.5130.5176.3-61.8176.7000109.6F135 T138 L141 A165 N169 T170 F174F135-I172 HydrophobicContact CB-CD1 4.26Å; T138-I172 HydrophobicContact CG2-CG2 4.37Å; L141-I172 HydrophobicContact CB-CG2 3.92Å; A165-I172 HydrophobicContact CB-CD1 4.11Å; N169-I172 HydrophobicContact CB-CD1 3.8Å; N169-I172 HydrophobicContact CB-CG1 3.83Å; N169-I172 WeakPolarHBondContact ND2-CG1 3.34Å; T170-I172 VanDerWaalsContact C-N 3.34Å; I172-F174 HydrophobicContact CB-CE2 4.25Å; I172-F174 HydrophobicContact CB-CZ 4.08Å; I172-F174 HydrophobicContact CG2-CD1 4.35Å; I172-F174 HydrophobicContact CG2-CE1 4.05Å; I172-F174 HydrophobicContact CG2-CE2 4.44Å; I172-F174 HydrophobicContact CG2-CZ 4.1Å; I172-F174 WeakPolarHBondContact O-CD2 3.44Å; I172-F174 WeakPolarHBondContact O-CE2 3.35Å
173N91.4Very high89.8Confident53 Ų5340.5 Ų40.528%0.28322%0.216SC..EExtended strand (participates in β ladder)trans-77.9124167.3-66.3-40.1000110.3G139 A140 L141G139-N173 PolarHBondContact O-N 3.48Å; A140-N173 CarbonylContact C-O 3.59Å; A140-N173 WeakPolarHBondContact CA-O 3.5Å; A140-N173 HydrophobicContact CB-CB 4.19Å; L141-N173 PolarHBondContact N-O 3.07Å
174F93.9Very high89.9Confident7 Ų741.4 Ų41.43%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-101.3118.8178.7-65.3-77.3000110.9L141 V162 A165 Y166 I172 I212 L214 S215L141-F174 HydrophobicContact CB-CD1 4.19Å; L141-F174 HydrophobicContact CB-CE1 4.43Å; L141-F174 HydrophobicContact CD1-CE1 4.29Å; L141-F174 HydrophobicContact CD2-CD1 4.43Å; V162-F174 HydrophobicContact CB-CD1 4.36Å; V162-F174 HydrophobicContact CB-CE1 4.26Å; V162-F174 HydrophobicContact CG1-CD1 4.12Å; V162-F174 HydrophobicContact CG1-CD2 4.43Å; V162-F174 HydrophobicContact CG1-CE1 4.05Å; V162-F174 HydrophobicContact CG1-CE2 4.37Å; V162-F174 HydrophobicContact CG1-CG 4.3Å; V162-F174 HydrophobicContact CG1-CZ 4.17Å; V162-F174 HydrophobicContact CG2-CD1 3.85Å; V162-F174 HydrophobicContact CG2-CE1 4.18Å; V162-F174 HydrophobicContact CG2-CG 4.47Å; A165-F174 HydrophobicContact CB-CE1 3.74Å; A165-F174 HydrophobicContact CB-CZ 3.92Å; Y166-F174 HydrophobicContact CD2-CE2 4.04Å; I172-F174 HydrophobicContact CB-CE2 4.25Å; I172-F174 HydrophobicContact CB-CZ 4.08Å; I172-F174 HydrophobicContact CG2-CD1 4.35Å; I172-F174 HydrophobicContact CG2-CE1 4.05Å; I172-F174 HydrophobicContact CG2-CE2 4.44Å; I172-F174 HydrophobicContact CG2-CZ 4.1Å; I172-F174 WeakPolarHBondContact O-CD2 3.44Å; I172-F174 WeakPolarHBondContact O-CE2 3.35Å; F174-I212 HydrophobicContact CD2-CG2 3.65Å; F174-I212 HydrophobicContact CE2-CG2 4.07Å; F174-I212 HydrophobicContact CG-CG2 4.35Å; F174-L214 HydrophobicContact CB-CD2 3.51Å; F174-L214 HydrophobicContact CG-CD2 4.27Å; F174-S215 PolarHBondContact O-N 2.91Å; F174-S215 VanDerWaalsContact O-N 3.12Å
175E95.4Very high90.2Very high4 Ų441.2 Ų41.22%0.01923%0.229CC..EExtended strand (participates in β ladder)trans-126.8130.9-173.8-48.2-70.5146.600108.3L141 I142 F143 S215 Y217 V233 K236L141-E175 PolarHBondContact O-N 3.07Å; I142-E175 CarbonylContact C-O 3.49Å; I142-E175 VanDerWaalsContact CA-O 3.28Å; I142-E175 WeakPolarHBondContact CA-O 3.48Å; I142-E175 HydrophobicContact CG1-CB 4.28Å; F143-E175 PolarHBondContact N-O 3.08Å; E175-S215 CarbonylContact C-O 3.58Å; E175-S215 WeakPolarHBondContact CA-O 3.14Å; E175-S215 WeakPolarHBondContact OE2-CB 3.45Å; E175-Y217 HydrophobicContact CB-CE2 4.15Å; E175-Y217 WeakPolarHBondContact OE2-CE2 3.45Å; E175-Y217 VanDerWaalsContact OE2-CZ 3.22Å; E175-Y217 PolarHBondContact OE2-OH 2.92Å; E175-V233 HydrophobicContact CB-CG2 4Å; E175-V233 HydrophobicContact CG-CG1 4.17Å; E175-V233 HydrophobicContact CG-CG2 3.72Å; E175-K236 VanDerWaalsContact OE1-CD 3.27Å; E175-K236 WeakPolarHBondContact OE1-CD 3.38Å; E175-K236 IonicContact OE1-NZ 2.73Å; E175-K236 PolarHBondContact OE1-NZ 3.28Å; E175-K236 IonicContact OE2-NZ 2.78Å; E175-K236 PolarHBondContact OE2-NZ 3.35Å
176V95.8Very high90.2Very high1 Ų146.5 Ų46.51%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-116.1119.6-177.2-178.10000108.5F143 I145 L158 S215 F216 Y217F143-V176 CarbonylContact O-C 3.54Å; F143-V176 WeakPolarHBondContact O-CA 3.34Å; I145-V176 HydrophobicContact CD1-CG1 3.6Å; I145-V176 HydrophobicContact CG1-CG1 4.07Å; L158-V176 HydrophobicContact CD1-CG2 4.03Å; L158-V176 HydrophobicContact CD2-CG2 4.01Å; V176-S215 PolarHBondContact N-O 3.34Å; V176-F216 HydrophobicContact CB-CD1 3.72Å; V176-F216 HydrophobicContact CB-CE1 3.98Å; V176-F216 HydrophobicContact CB-CG 4.42Å; V176-F216 HydrophobicContact CG1-CD1 3.88Å; V176-F216 HydrophobicContact CG1-CE1 4.07Å; V176-F216 HydrophobicContact CG2-CD1 4.29Å; V176-F216 HydrophobicContact CG2-CE1 4.07Å; V176-F216 WeakPolarHBondContact O-CA 3.49Å; V176-Y217 PolarHBondContact O-N 2.89Å
177F96.6Very high90.4Very high0 Ų050.2 Ų50.20%028%0.28CS..EExtended strand (participates in β ladder)trans-97.9110.6175.4-73.55.6000108.6I142 F143 V144 I145 H179 Y217 T219 I226 A229 F230 V233I142-F177 HydrophobicContact CD1-CE2 4.18Å; I142-F177 HydrophobicContact CD1-CZ 3.98Å; I142-F177 HydrophobicContact CG1-CZ 4.46Å; I142-F177 HydrophobicContact CG2-CB 4.41Å; I142-F177 HydrophobicContact CG2-CD1 3.93Å; I142-F177 HydrophobicContact CG2-CD2 3.54Å; I142-F177 HydrophobicContact CG2-CE1 4.02Å; I142-F177 HydrophobicContact CG2-CE2 3.64Å; I142-F177 HydrophobicContact CG2-CG 3.69Å; I142-F177 HydrophobicContact CG2-CZ 3.89Å; F143-F177 PolarHBondContact O-N 3.45Å; V144-F177 HydrophobicContact CG2-CB 4.43Å; I145-F177 PolarHBondContact N-O 2.96Å; F177-H179 PolarHBondContact O-N 2.93Å; F177-Y217 AromaticContact CD1-CD2 3.7Å; F177-Y217 HydrophobicContact CD1-CD2 3.7Å; F177-Y217 HydrophobicContact CD1-CG 4.29Å; F177-Y217 AromaticContact CE1-CD2 3.52Å; F177-Y217 HydrophobicContact CE1-CD2 3.52Å; F177-Y217 HydrophobicContact CE1-CE2 4.16Å; F177-Y217 HydrophobicContact CE1-CG 4.13Å; F177-T219 HydrophobicContact CB-CG2 4.29Å; F177-T219 HydrophobicContact CD1-CG2 4.23Å; F177-T219 HydrophobicContact CD2-CG2 4.07Å; F177-T219 HydrophobicContact CE2-CG2 4.47Å; F177-T219 HydrophobicContact CG-CG2 3.94Å; F177-I226 HydrophobicContact CD2-CD1 3.8Å; F177-I226 HydrophobicContact CE2-CD1 3.63Å; F177-A229 HydrophobicContact CE1-CB 3.81Å; F177-A229 HydrophobicContact CE2-CB 4.42Å; F177-A229 HydrophobicContact CZ-CB 3.76Å; F177-F230 AromaticContact CE2-CD2 3.9Å; F177-F230 HydrophobicContact CE2-CD2 3.9Å; F177-F230 AromaticContact CE2-CE2 3.65Å; F177-F230 HydrophobicContact CE2-CE2 3.65Å; F177-F230 HydrophobicContact CE2-CZ 4.27Å; F177-F230 HydrophobicContact CZ-CD2 4.26Å; F177-F230 HydrophobicContact CZ-CE2 4.35Å; F177-V233 HydrophobicContact CE1-CG2 4.08Å; F177-V233 HydrophobicContact CZ-CG2 4.1Å
178I95.3Very high90.7Very high0 Ų047 Ų470%027%0.268CS..EExtended strand (participates in β ladder)trans-80.9101.2167-57.7173.5000105.3V181 T192 Q193 I196 F216 Y217 L218 T219I178-V181 HydrophobicContact CG2-CG1 4.16Å; I178-V181 WeakPolarHBondContact O-CG1 3.14Å; I178-T192 HydrophobicContact CG2-CG2 4.47Å; I178-Q193 HydrophobicContact CD1-CB 4.16Å; I178-Q193 HydrophobicContact CD1-CG 3.97Å; I178-I196 HydrophobicContact CD1-CB 4.23Å; I178-I196 HydrophobicContact CD1-CD1 4.06Å; I178-I196 HydrophobicContact CD1-CG2 4.09Å; I178-I196 HydrophobicContact CG1-CD1 4.03Å; I178-I196 HydrophobicContact CG1-CG2 4.28Å; I178-I196 HydrophobicContact CG2-CD1 4.13Å; I178-F216 HydrophobicContact CD1-CD1 4.48Å; I178-Y217 PolarHBondContact N-O 3.2Å; I178-L218 HydrophobicContact CB-CD2 4.03Å; I178-L218 HydrophobicContact CD1-CD2 4.25Å; I178-L218 HydrophobicContact CG2-CD2 3.94Å; I178-T219 PolarHBondContact O-N 2.69Å; I178-T219 PolarHBondContact O-OG1 2.88Å
179H94.6Very high90.9Very high3 Ų347.4 Ų47.41%0.01427%0.266CS..EExtended strand (participates in β ladder)trans-103.9161-165.1-16256.5000112.4S73 V144 I145 S147 F177 T219S73-H179 PolarHBondContact O-CD2 3.4Å; V144-H179 HydrophobicContact CG1-CB 3.66Å; I145-H179 WeakPolarHBondContact O-CB 3.25Å; I145-H179 PolarHBondContact O-N 3.07Å; S147-H179 WeakPolarHBondContact CB-O 3.46Å; S147-H179 PolarHBondContact N-O 3.43Å; S147-H179 PolarHBondContact OG-O 3.31Å; F177-H179 PolarHBondContact O-N 2.93Å; H179-T219 CarbonylContact C-O 3.55Å; H179-T219 WeakPolarHBondContact CA-O 3.45Å; H179-T219 PolarHBondContact ND1-O 3Å; H179-T219 PolarHBondContact ND1-OG1 3.19Å
180K92.8Very high91.3Very high55 Ų5551 Ų5124%0.23928%0.284CS..  trans62.638.6-177.1-49.5-169.5-167.7161.40114.4R72 D146 S147 Q148 D182 T219R72-K180 PolarHBondContact O-NZ 3.02Å; D146-K180 WeakPolarHBondContact OD1-CD 3.45Å; D146-K180 WeakPolarHBondContact OD2-CE 3.36Å; D146-K180 IonicContact OD2-NZ 2.63Å; D146-K180 PolarHBondContact OD2-NZ 3.34Å; S147-K180 PolarHBondContact OG-O 3.47Å; Q148-K180 HydrophobicContact CG-CB 4.08Å; Q148-K180 WeakPolarHBondContact CG-O 3.1Å; Q148-K180 PolarHBondContact NE2-O 3.16Å; K180-D182 WeakPolarHBondContact CA-OD1 3.47Å; K180-D182 PolarHBondContact O-N 3.48Å; K180-T219 PolarHBondContact N-O 3.01Å; K180-T219 VanDerWaalsContact N-O 3.12Å
181V91.7Very high91.7Very high4 Ų452.4 Ų52.42%0.02429%0.285CS..G310 helixtrans-74.9-3.4179.3-58.20000113.3I178 G183 L184 K189 L218I178-V181 HydrophobicContact CG2-CG1 4.16Å; I178-V181 WeakPolarHBondContact O-CG1 3.14Å; V181-G183 VanDerWaalsContact C-N 3.3Å; V181-G183 PolarHBondContact O-N 2.97Å; V181-L184 PolarHBondContact O-N 3.41Å; V181-K189 HydrophobicContact CB-CD 4.36Å; V181-K189 HydrophobicContact CB-CG 4.29Å; V181-K189 WeakPolarHBondContact O-CE 3.47Å; V181-L218 HydrophobicContact CG1-CB 4.32Å; V181-L218 HydrophobicContact CG1-CD2 3.92Å; V181-L218 HydrophobicContact CG2-CB 4.44Å
182D89.1Confident92Very high75 Ų7547.1 Ų47.140%0.40126%0.258SS..G310 helixtrans-60.9-32.5-179.849.7-66.1000113.8K180 S220 Y222K180-D182 WeakPolarHBondContact CA-OD1 3.47Å; K180-D182 PolarHBondContact O-N 3.48Å; D182-S220 WeakPolarHBondContact CB-OG 3.44Å; D182-Y222 HydrophobicContact CB-CD2 4.06Å
183G83.7Confident92.2Very high58 Ų5849.7 Ų49.760%0.59827%0.27SS*.G310 helixtrans-86.2-3.2178.200000114.9V181V181-G183 VanDerWaalsContact C-N 3.3Å; V181-G183 PolarHBondContact O-N 2.97Å
184L89Confident92.3Very high38 Ų3855.1 Ų55.120%0.19929%0.286CS..SBendtrans-101.8144.9-173.5-60.5177.9000111.2S147 V181 H188 K189S147-L184 WeakPolarHBondContact OG-CD1 3.37Å; V181-L184 PolarHBondContact O-N 3.41Å; L184-H188 HydrophobicContact CB-CB 4.44Å; L184-K189 HydrophobicContact CB-CG 3.96Å; L184-K189 VanDerWaalsContact O-CE 3.25Å; L184-K189 WeakPolarHBondContact O-CE 3.36Å
185S91.9Very high92.3Very high62 Ų6256.5 Ų56.543%0.43429%0.294SS..  trans-73.1157.8168.360.70000111D187 H188 K189S185-D187 VanDerWaalsContact C-N 3.29Å; S185-D187 PolarHBondContact O-N 3.05Å; S185-H188 WeakPolarHBondContact O-CB 3.35Å; S185-H188 PolarHBondContact O-N 3Å; S185-H188 PolarHBondContact OG-CD2 2.9Å; S185-K189 WeakPolarHBondContact O-CG 3.22Å; S185-K189 PolarHBondContact O-N 3.45Å
186D88.8Confident92.2Very high110 Ų11056.3 Ų56.359%0.58829%0.293SS*.Hα-helixtrans-62.4-34.8-174.4-65-26.1000113.1K189 I190D186-K189 PolarHBondContact O-N 2.94Å; D186-K189 IonicContact OD1-NZ 3.44Å; D186-K189 PolarHBondContact OD1-NZ 3.35Å; D186-I190 WeakPolarHBondContact O-CG1 3.45Å; D186-I190 PolarHBondContact O-N 3.47Å; D186-I190 VanDerWaalsContact O-N 3.15Å
187D92.4Very high92.1Very high129 Ų12960.5 Ų60.569%0.6931%0.312SS*.Hα-helixtrans-62.2-44.1173.3-66.5-28.7000111.6S185 K189 I190 E191S185-D187 VanDerWaalsContact C-N 3.29Å; S185-D187 PolarHBondContact O-N 3.05Å; D187-K189 VanDerWaalsContact C-N 3.35Å; D187-K189 PolarHBondContact O-N 3Å; D187-I190 PolarHBondContact O-N 2.89Å; D187-E191 PolarHBondContact O-N 3.31Å
188H92Very high91.9Very high100 Ų10065.5 Ų65.546%0.46334%0.336SS..Hα-helixtrans-67.6-33.8177.7-82.4-102.6000112.3L184 S185 T192L184-H188 HydrophobicContact CB-CB 4.44Å; S185-H188 WeakPolarHBondContact O-CB 3.35Å; S185-H188 PolarHBondContact O-N 3Å; S185-H188 PolarHBondContact OG-CD2 2.9Å; H188-T192 VanDerWaalsContact O-CB 3.23Å; H188-T192 WeakPolarHBondContact O-CB 3.36Å; H188-T192 PolarHBondContact O-N 2.84Å; H188-T192 PolarHBondContact O-OG1 2.78Å
189K91.3Very high91.8Very high44 Ų4469.9 Ų69.919%0.19135%0.352CS..Hα-helixtrans-61.4-46.9174.1-68.4174.8-169.1157.50111V181 L184 S185 D186 D187 Q193 L218V181-K189 HydrophobicContact CB-CD 4.36Å; V181-K189 HydrophobicContact CB-CG 4.29Å; V181-K189 WeakPolarHBondContact O-CE 3.47Å; L184-K189 HydrophobicContact CB-CG 3.96Å; L184-K189 VanDerWaalsContact O-CE 3.25Å; L184-K189 WeakPolarHBondContact O-CE 3.36Å; S185-K189 WeakPolarHBondContact O-CG 3.22Å; S185-K189 PolarHBondContact O-N 3.45Å; D186-K189 PolarHBondContact O-N 2.94Å; D186-K189 IonicContact OD1-NZ 3.44Å; D186-K189 PolarHBondContact OD1-NZ 3.35Å; D187-K189 VanDerWaalsContact C-N 3.35Å; D187-K189 PolarHBondContact O-N 3Å; K189-Q193 VanDerWaalsContact O-CB 3.26Å; K189-Q193 WeakPolarHBondContact O-CB 3.46Å; K189-Q193 PolarHBondContact O-N 3.46Å; K189-L218 HydrophobicContact CB-CD1 4.23Å
190I91.9Very high91.7Very high107 Ų10770 Ų7055%0.54935%0.353SS..Hα-helixtrans-64.7-44.1179.9-63.8165.4000110.5D186 D187 R194D186-I190 WeakPolarHBondContact O-CG1 3.45Å; D186-I190 PolarHBondContact O-N 3.47Å; D186-I190 VanDerWaalsContact O-N 3.15Å; D187-I190 PolarHBondContact O-N 2.89Å; I190-R194 WeakPolarHBondContact O-CB 3.36Å; I190-R194 PolarHBondContact O-N 3.42Å
191E92.9Very high91.6Very high113 Ų11369.6 Ų69.653%0.52835%0.354SS..Hα-helixtrans-64-48178.5-175.2169.3-153.900111.9D187 Q193 R194 D195D187-E191 PolarHBondContact O-N 3.31Å; E191-Q193 VanDerWaalsContact C-N 3.35Å; E191-Q193 PolarHBondContact O-N 3.18Å; E191-R194 PolarHBondContact O-N 3.04Å; E191-D195 PolarHBondContact O-N 3.36Å
192T91.6Very high91.6Very high19 Ų1973.2 Ų73.212%0.11737%0.373CS..Hα-helixtrans-62.2-42.9178.9-56.30000111.1Y151 I178 H188 R194 D195 I196Y151-T192 HydrophobicContact CE1-CG2 4.32Å; I178-T192 HydrophobicContact CG2-CG2 4.47Å; H188-T192 VanDerWaalsContact O-CB 3.23Å; H188-T192 WeakPolarHBondContact O-CB 3.36Å; H188-T192 PolarHBondContact O-N 2.84Å; H188-T192 PolarHBondContact O-OG1 2.78Å; T192-R194 PolarHBondContact O-N 3.3Å; T192-D195 PolarHBondContact O-N 3Å; T192-I196 HydrophobicContact CG2-CD1 3.71Å; T192-I196 HydrophobicContact CG2-CG1 4.36Å; T192-I196 WeakPolarHBondContact O-CB 3.26Å; T192-I196 WeakPolarHBondContact O-CG1 3.46Å; T192-I196 PolarHBondContact O-N 3.37Å
193Q93.5Very high91.6Very high62 Ų6272.5 Ų72.529%0.2937%0.369SS..Hα-helixtrans-60.8-45.9175.6-170.817924.500111.5I178 K189 E191 H197 L218I178-Q193 HydrophobicContact CD1-CB 4.16Å; I178-Q193 HydrophobicContact CD1-CG 3.97Å; K189-Q193 VanDerWaalsContact O-CB 3.26Å; K189-Q193 WeakPolarHBondContact O-CB 3.46Å; K189-Q193 PolarHBondContact O-N 3.46Å; E191-Q193 VanDerWaalsContact C-N 3.35Å; E191-Q193 PolarHBondContact O-N 3.18Å; Q193-H197 WeakPolarHBondContact O-CB 3.49Å; Q193-H197 PolarHBondContact O-N 3.01Å; Q193-L218 HydrophobicContact CB-CD2 4.21Å; Q193-L218 HydrophobicContact CG-CD2 4.48Å
194R93.1Very high91.9Very high166 Ų16670 Ų7063%0.62634%0.342SS*.Hα-helixtrans-63.3-43.5178.9-171-176.672.4-177.9-1111.4I190 E191 T192 H197 Q198I190-R194 WeakPolarHBondContact O-CB 3.36Å; I190-R194 PolarHBondContact O-N 3.42Å; E191-R194 PolarHBondContact O-N 3.04Å; T192-R194 PolarHBondContact O-N 3.3Å; R194-H197 PolarHBondContact O-N 2.74Å; R194-Q198 VanDerWaalsContact O-CB 3.32Å; R194-Q198 WeakPolarHBondContact O-CB 3.36Å; R194-Q198 PolarHBondContact O-N 3.14Å
195D94.4Very high91.9Very high36 Ų3670.1 Ų70.119%0.19335%0.349CS..Hα-helixtrans-66.5-48.9-179-164.127.6000111.6Y151 E191 T192 H197 Q198 R199Y151-D195 PolarHBondContact OH-OD2 3.1Å; E191-D195 PolarHBondContact O-N 3.36Å; T192-D195 PolarHBondContact O-N 3Å; D195-H197 VanDerWaalsContact C-N 3.33Å; D195-H197 PolarHBondContact O-N 2.73Å; D195-Q198 PolarHBondContact O-N 3.43Å; D195-R199 WeakPolarHBondContact O-CB 3.46Å; D195-R199 WeakPolarHBondContact O-CG 3.27Å; D195-R199 PolarHBondContact O-N 3.03Å; D195-R199 IonicContact OD1-CZ 3.33Å; D195-R199 IonicContact OD1-NE 3.33Å; D195-R199 PolarHBondContact OD1-NE 3.31Å; D195-R199 IonicContact OD1-NH2 2.74Å; D195-R199 PolarHBondContact OD1-NH2 3.42Å; D195-R199 IonicContact OD2-CZ 2.8Å; D195-R199 IonicContact OD2-NE 2.77Å; D195-R199 PolarHBondContact OD2-NE 3.26Å; D195-R199 IonicContact OD2-NH2 2.66Å; D195-R199 PolarHBondContact OD2-NH2 3.47Å
196I93.6Very high91.7Very high0 Ų074 Ų740%037%0.365CS..Hα-helixtrans-59.7-44.5175.8-70.8175.2000110.8I145 Y151 L155 I178 T192 A200 F216I145-I196 HydrophobicContact CD1-CG2 4.1Å; I145-I196 HydrophobicContact CG2-CD1 4.24Å; Y151-I196 HydrophobicContact CD1-CD1 4.37Å; Y151-I196 HydrophobicContact CD2-CD1 4.44Å; Y151-I196 HydrophobicContact CD2-CG1 3.97Å; Y151-I196 HydrophobicContact CE2-CG1 4.06Å; Y151-I196 HydrophobicContact CG-CD1 4.23Å; Y151-I196 HydrophobicContact CG-CG1 4.25Å; L155-I196 HydrophobicContact CD2-CG2 4.15Å; I178-I196 HydrophobicContact CD1-CB 4.23Å; I178-I196 HydrophobicContact CD1-CD1 4.06Å; I178-I196 HydrophobicContact CD1-CG2 4.09Å; I178-I196 HydrophobicContact CG1-CD1 4.03Å; I178-I196 HydrophobicContact CG1-CG2 4.28Å; I178-I196 HydrophobicContact CG2-CD1 4.13Å; T192-I196 HydrophobicContact CG2-CD1 3.71Å; T192-I196 HydrophobicContact CG2-CG1 4.36Å; T192-I196 WeakPolarHBondContact O-CB 3.26Å; T192-I196 WeakPolarHBondContact O-CG1 3.46Å; T192-I196 PolarHBondContact O-N 3.37Å; I196-A200 WeakPolarHBondContact O-CB 3.27Å; I196-A200 PolarHBondContact O-N 2.9Å; I196-F216 HydrophobicContact CG2-CD1 4.1Å; I196-F216 HydrophobicContact CG2-CE1 3.9Å
197H93.4Very high91.5Very high90 Ų9071.2 Ų71.242%0.41736%0.357SS..Hα-helixtrans-62.4-45.7179.2-179.4-76.2000111.8Q193 R194 D195 N201 F216Q193-H197 WeakPolarHBondContact O-CB 3.49Å; Q193-H197 PolarHBondContact O-N 3.01Å; R194-H197 PolarHBondContact O-N 2.74Å; D195-H197 VanDerWaalsContact C-N 3.33Å; D195-H197 PolarHBondContact O-N 2.73Å; H197-N201 PolarHBondContact CE1-ND2 3.12Å; H197-N201 PolarHBondContact ND1-ND2 2.8Å; H197-N201 PolarHBondContact NE2-ND2 3.2Å; H197-N201 WeakPolarHBondContact O-CB 3.43Å; H197-N201 PolarHBondContact O-N 3.45Å; H197-N201 PolarHBondContact O-ND2 2.8Å; H197-F216 HydrophobicContact CB-CD2 4.48Å; H197-F216 HydrophobicContact CB-CE2 4.34Å; H197-F216 HydrophobicContact CB-CZ 4.44Å; H197-F216 AromaticContact CD2-CD2 3.3Å; H197-F216 WeakPolarHBondContact CD2-CD2 3.26Å; H197-F216 AromaticContact CD2-CE2 3.33Å; H197-F216 WeakPolarHBondContact CD2-CE2 3.01Å; H197-F216 AromaticContact CG-CE2 3.98Å; H197-F216 AromaticContact NE2-CE2 3.97Å
198Q93.1Very high91Very high104 Ų10467.9 Ų67.949%0.48635%0.353SS..Hα-helixtrans-64.6-53.1179.9-177.3173.1-4.100110.7R194 D195 A200 N201 D202R194-Q198 VanDerWaalsContact O-CB 3.32Å; R194-Q198 WeakPolarHBondContact O-CB 3.36Å; R194-Q198 PolarHBondContact O-N 3.14Å; D195-Q198 PolarHBondContact O-N 3.43Å; Q198-A200 PolarHBondContact O-N 3.28Å; Q198-N201 PolarHBondContact O-N 3.06Å; Q198-D202 WeakPolarHBondContact CG-OD2 3.45Å; Q198-D202 WeakPolarHBondContact O-CB 3.5Å; Q198-D202 PolarHBondContact O-N 2.85Å
199R92.8Very high90.6Very high92 Ų9265 Ų6535%0.34734%0.341SS..Hα-helixtrans-60.4-45.2-178.4-68.8175.9-169.5-108.17.9113.2L155 D195 N201 D202 D203L155-R199 HydrophobicContact CD1-CB 3.89Å; D195-R199 WeakPolarHBondContact O-CB 3.46Å; D195-R199 WeakPolarHBondContact O-CG 3.27Å; D195-R199 PolarHBondContact O-N 3.03Å; D195-R199 IonicContact OD1-CZ 3.33Å; D195-R199 IonicContact OD1-NE 3.33Å; D195-R199 PolarHBondContact OD1-NE 3.31Å; D195-R199 IonicContact OD1-NH2 2.74Å; D195-R199 PolarHBondContact OD1-NH2 3.42Å; D195-R199 IonicContact OD2-CZ 2.8Å; D195-R199 IonicContact OD2-NE 2.77Å; D195-R199 PolarHBondContact OD2-NE 3.26Å; D195-R199 IonicContact OD2-NH2 2.66Å; D195-R199 PolarHBondContact OD2-NH2 3.47Å; R199-N201 VanDerWaalsContact C-N 3.29Å; R199-N201 PolarHBondContact O-N 3.26Å; R199-D202 PolarHBondContact O-N 2.59Å; R199-D203 WeakPolarHBondContact O-CB 3.39Å; R199-D203 VanDerWaalsContact O-CG 3.32Å; R199-D203 PolarHBondContact O-N 2.82Å
200A91.8Very high89.9Confident5 Ų570.4 Ų70.44%0.04137%0.367CS..Hα-helixtrans-64.1-35.3-179.800000112.3L155 L158 I196 Q198 L204 L214 F216L155-A200 HydrophobicContact CD2-CB 4.09Å; L158-A200 HydrophobicContact CD2-CB 4.18Å; I196-A200 WeakPolarHBondContact O-CB 3.27Å; I196-A200 PolarHBondContact O-N 2.9Å; Q198-A200 PolarHBondContact O-N 3.28Å; A200-L204 VanDerWaalsContact O-CG 3.29Å; A200-L204 WeakPolarHBondContact O-CG 3.39Å; A200-L204 PolarHBondContact O-N 3.19Å; A200-L214 HydrophobicContact CB-CD1 3.94Å; A200-F216 HydrophobicContact CB-CE1 4.15Å; A200-F216 HydrophobicContact CB-CZ 3.92Å
201N91.1Very high89.3Confident48 Ų4873.6 Ų73.626%0.25738%0.377SS..Hα-helixtrans-76.3-37.9175.9-76.6-56.3000112.4H197 Q198 R199 L204 A205H197-N201 PolarHBondContact CE1-ND2 3.12Å; H197-N201 PolarHBondContact ND1-ND2 2.8Å; H197-N201 PolarHBondContact NE2-ND2 3.2Å; H197-N201 WeakPolarHBondContact O-CB 3.43Å; H197-N201 PolarHBondContact O-N 3.45Å; H197-N201 PolarHBondContact O-ND2 2.8Å; Q198-N201 PolarHBondContact O-N 3.06Å; R199-N201 VanDerWaalsContact C-N 3.29Å; R199-N201 PolarHBondContact O-N 3.26Å; N201-L204 PolarHBondContact O-N 3.21Å; N201-A205 WeakPolarHBondContact O-CB 3.37Å; N201-A205 PolarHBondContact O-N 3.46Å
202D91.7Very high89Confident79 Ų7968.7 Ų68.742%0.42235%0.354SS..Hα-helixtrans-61.9-45.9175.7-68.9-13.9000110.4Q198 R199 L204 A205 D206Q198-D202 WeakPolarHBondContact CG-OD2 3.45Å; Q198-D202 WeakPolarHBondContact O-CB 3.5Å; Q198-D202 PolarHBondContact O-N 2.85Å; R199-D202 PolarHBondContact O-N 2.59Å; D202-L204 VanDerWaalsContact C-N 3.29Å; D202-L204 PolarHBondContact O-N 3.4Å; D202-A205 PolarHBondContact O-N 2.85Å; D202-A205 VanDerWaalsContact O-N 3.15Å; D202-D206 PolarHBondContact O-N 2.95Å
203D90Very high88.8Confident60 Ų6075.4 Ų75.432%0.32138%0.384SS..Hα-helixtrans-60.2-37.6175.7-73.5-15.1000112.2H159 R199 A207H159-D203 PolarHBondContact CE1-O 2.89Å; H159-D203 PolarHBondContact ND1-O 3.04Å; R199-D203 WeakPolarHBondContact O-CB 3.39Å; R199-D203 VanDerWaalsContact O-CG 3.32Å; R199-D203 PolarHBondContact O-N 2.82Å; D203-A207 PolarHBondContact O-N 2.82Å
204L88.7Confident88.7Confident5 Ų573.3 Ų73.33%0.02638%0.375CS..Hα-helixtrans-71.9-37.2176.2-75176.6000112.5V162 A200 N201 D202 A207 G208 L209 I212 L214V162-L204 HydrophobicContact CG1-CD2 4.03Å; A200-L204 VanDerWaalsContact O-CG 3.29Å; A200-L204 WeakPolarHBondContact O-CG 3.39Å; A200-L204 PolarHBondContact O-N 3.19Å; N201-L204 PolarHBondContact O-N 3.21Å; D202-L204 VanDerWaalsContact C-N 3.29Å; D202-L204 PolarHBondContact O-N 3.4Å; L204-A207 PolarHBondContact O-N 3.07Å; L204-G208 PolarHBondContact O-N 2.94Å; L204-L209 HydrophobicContact CD2-CB 4.42Å; L204-L209 PolarHBondContact O-N 2.84Å; L204-I212 HydrophobicContact CD1-CB 4.42Å; L204-I212 HydrophobicContact CD1-CG2 4.37Å; L204-I212 HydrophobicContact CD2-CD1 4.41Å; L204-L214 HydrophobicContact CD1-CD1 3.47Å; L204-L214 VanDerWaalsContact CD1-CD1 3.47Å; L204-L214 HydrophobicContact CD1-CD2 4.26Å; L204-L214 HydrophobicContact CD1-CG 3.67Å
205A89.1Confident88.7Confident41 Ų4166.9 Ų66.934%0.33936%0.355SS..Hα-helixtrans-65.6-42.6175.700000111N201 D202 A207 G208 E210N201-A205 WeakPolarHBondContact O-CB 3.37Å; N201-A205 PolarHBondContact O-N 3.46Å; D202-A205 PolarHBondContact O-N 2.85Å; D202-A205 VanDerWaalsContact O-N 3.15Å; A205-A207 PolarHBondContact O-N 2.9Å; A205-G208 WeakPolarHBondContact O-CA 3.28Å; A205-G208 PolarHBondContact O-N 3.04Å; A205-E210 HydrophobicContact CB-CG 4.47Å
206D88.9Confident88.8Confident144 Ų14466.3 Ų66.377%0.7735%0.351SS*.Hα-helixtrans-61.1-33.1176.4-77.9-11.6000112.6D202 G208D202-D206 PolarHBondContact O-N 2.95Å; D206-G208 VanDerWaalsContact C-N 3.27Å; D206-G208 PolarHBondContact O-N 2.66Å
207A83.8Confident88.8Confident51 Ų5167.7 Ų67.742%0.42136%0.357SS..THydrogen-bonded Turntrans-80.3-2.6173.400000114.3D203 L204 A205 L209D203-A207 PolarHBondContact O-N 2.82Å; L204-A207 PolarHBondContact O-N 3.07Å; A205-A207 PolarHBondContact O-N 2.9Å; A207-L209 VanDerWaalsContact C-N 3.33Å; A207-L209 HydrophobicContact CB-CD1 4.32Å; A207-L209 HydrophobicContact CB-CG 4.37Å
208G83.1Confident88.8Confident60 Ų6065.8 Ų65.862%0.61935%0.349SS*.THydrogen-bonded Turntrans72.223.3-177.700000114.1L204 A205 D206L204-G208 PolarHBondContact O-N 2.94Å; A205-G208 WeakPolarHBondContact O-CA 3.28Å; A205-G208 PolarHBondContact O-N 3.04Å; D206-G208 VanDerWaalsContact C-N 3.27Å; D206-G208 PolarHBondContact O-N 2.66Å
209L82.6Confident88.9Confident39 Ų3960.8 Ų60.820%0.20433%0.326CS..  trans-104.241.2-177.9-65.4174.7000112.3T163 Y166 L204 A207 K211 I212T163-L209 HydrophobicContact CG2-CD1 3.99Å; Y166-L209 HydrophobicContact CD1-CD2 4.09Å; Y166-L209 HydrophobicContact CE1-CD2 4.27Å; L204-L209 HydrophobicContact CD2-CB 4.42Å; L204-L209 PolarHBondContact O-N 2.84Å; A207-L209 VanDerWaalsContact C-N 3.33Å; A207-L209 HydrophobicContact CB-CD1 4.32Å; A207-L209 HydrophobicContact CB-CG 4.37Å; L209-K211 PolarHBondContact O-N 3.32Å; L209-I212 HydrophobicContact CB-CD1 3.83Å; L209-I212 HydrophobicContact CB-CG1 4.23Å; L209-I212 HydrophobicContact CD1-CD1 3.99Å; L209-I212 HydrophobicContact CD2-CD1 4.44Å; L209-I212 HydrophobicContact CG-CD1 4.32Å; L209-I212 PolarHBondContact O-N 2.91Å; L209-I212 VanDerWaalsContact O-N 3.1Å
210E76.1Confident88.9Confident158 Ų15856.4 Ų56.474%0.73831%0.309SS*.THydrogen-bonded Turntrans-61.5-14.2-177.7-62178.8178.300114.6A205 I212A205-E210 HydrophobicContact CB-CG 4.47Å; E210-I212 VanDerWaalsContact C-N 3.29Å
211K80.9Confident88.9Confident174 Ų17457 Ų5776%0.75731%0.311SS*.THydrogen-bonded Turntrans-78.4-12.3178.1-64.4-175.8-178.5179.30113.5L209L209-K211 PolarHBondContact O-N 3.32Å
212I85.9Confident88.8Confident9 Ų960.1 Ų60.15%0.04632%0.321CS..  trans-83.7121.1-178.3-57.6-178.6000108.7V162 Y166 F174 L204 L209 E210 L214V162-I212 HydrophobicContact CG1-CD1 3.82Å; V162-I212 HydrophobicContact CG1-CG2 3.9Å; Y166-I212 HydrophobicContact CD1-CD1 3.77Å; Y166-I212 HydrophobicContact CD1-CG1 4.13Å; Y166-I212 HydrophobicContact CD2-CD1 3.85Å; Y166-I212 HydrophobicContact CD2-CG1 3.79Å; Y166-I212 HydrophobicContact CE1-CD1 4.32Å; Y166-I212 HydrophobicContact CE1-CG1 4.2Å; Y166-I212 HydrophobicContact CE2-CD1 4.38Å; Y166-I212 HydrophobicContact CE2-CG1 3.86Å; Y166-I212 HydrophobicContact CG-CD1 3.5Å; Y166-I212 VanDerWaalsContact CG-CD1 3.5Å; Y166-I212 HydrophobicContact CG-CG1 3.91Å; F174-I212 HydrophobicContact CD2-CG2 3.65Å; F174-I212 HydrophobicContact CE2-CG2 4.07Å; F174-I212 HydrophobicContact CG-CG2 4.35Å; L204-I212 HydrophobicContact CD1-CB 4.42Å; L204-I212 HydrophobicContact CD1-CG2 4.37Å; L204-I212 HydrophobicContact CD2-CD1 4.41Å; L209-I212 HydrophobicContact CB-CD1 3.83Å; L209-I212 HydrophobicContact CB-CG1 4.23Å; L209-I212 HydrophobicContact CD1-CD1 3.99Å; L209-I212 HydrophobicContact CD2-CD1 4.44Å; L209-I212 HydrophobicContact CG-CD1 4.32Å; L209-I212 PolarHBondContact O-N 2.91Å; L209-I212 VanDerWaalsContact O-N 3.1Å; E210-I212 VanDerWaalsContact C-N 3.29Å; I212-L214 HydrophobicContact CG2-CD2 4.2Å
213H87.3Confident88.5Confident161 Ų16159.2 Ų59.275%0.74532%0.315SS*.  trans-96.3113.3173.4-68.7-66.4000110.2
214L91.5Very high88.4Confident17 Ų1757.9 Ų57.99%0.08931%0.307CS..EExtended strand (participates in β ladder)trans-89.6127.9170.1-61.6-176.8000109.8V162 F174 A200 L204 I212 F216V162-L214 HydrophobicContact CG1-CD2 4.43Å; V162-L214 HydrophobicContact CG2-CD2 4.22Å; F174-L214 HydrophobicContact CB-CD2 3.51Å; F174-L214 HydrophobicContact CG-CD2 4.27Å; A200-L214 HydrophobicContact CB-CD1 3.94Å; L204-L214 HydrophobicContact CD1-CD1 3.47Å; L204-L214 VanDerWaalsContact CD1-CD1 3.47Å; L204-L214 HydrophobicContact CD1-CD2 4.26Å; L204-L214 HydrophobicContact CD1-CG 3.67Å; I212-L214 HydrophobicContact CG2-CD2 4.2Å; L214-F216 HydrophobicContact CB-CD2 4.39Å; L214-F216 HydrophobicContact CB-CE2 3.55Å; L214-F216 HydrophobicContact CB-CZ 3.72Å; L214-F216 HydrophobicContact CD1-CZ 3.88Å; L214-F216 HydrophobicContact CG-CZ 4.49Å; L214-F216 WeakPolarHBondContact O-CE2 3.26Å
215S93.9Very high88.5Confident32 Ų3258.2 Ų58.222%0.22431%0.31CS..EExtended strand (participates in β ladder)trans-101.3133.2170.7-64.20000110.2F174 E175 V176 K236F174-S215 PolarHBondContact O-N 2.91Å; F174-S215 VanDerWaalsContact O-N 3.12Å; E175-S215 CarbonylContact C-O 3.58Å; E175-S215 WeakPolarHBondContact CA-O 3.14Å; E175-S215 WeakPolarHBondContact OE2-CB 3.45Å; V176-S215 PolarHBondContact N-O 3.34Å; S215-K236 PolarHBondContact OG-NZ 3.43Å
216F94.9Very high88.7Confident24 Ų2456.3 Ų56.311%0.10529%0.294CS..EExtended strand (participates in β ladder)trans-114.2134.2-174.9-61-97.8000110.8V176 I178 I196 H197 A200 L214V176-F216 HydrophobicContact CB-CD1 3.72Å; V176-F216 HydrophobicContact CB-CE1 3.98Å; V176-F216 HydrophobicContact CB-CG 4.42Å; V176-F216 HydrophobicContact CG1-CD1 3.88Å; V176-F216 HydrophobicContact CG1-CE1 4.07Å; V176-F216 HydrophobicContact CG2-CD1 4.29Å; V176-F216 HydrophobicContact CG2-CE1 4.07Å; V176-F216 WeakPolarHBondContact O-CA 3.49Å; I178-F216 HydrophobicContact CD1-CD1 4.48Å; I196-F216 HydrophobicContact CG2-CD1 4.1Å; I196-F216 HydrophobicContact CG2-CE1 3.9Å; H197-F216 HydrophobicContact CB-CD2 4.48Å; H197-F216 HydrophobicContact CB-CE2 4.34Å; H197-F216 HydrophobicContact CB-CZ 4.44Å; H197-F216 AromaticContact CD2-CD2 3.3Å; H197-F216 WeakPolarHBondContact CD2-CD2 3.26Å; H197-F216 AromaticContact CD2-CE2 3.33Å; H197-F216 WeakPolarHBondContact CD2-CE2 3.01Å; H197-F216 AromaticContact CG-CE2 3.98Å; H197-F216 AromaticContact NE2-CE2 3.97Å; A200-F216 HydrophobicContact CB-CE1 4.15Å; A200-F216 HydrophobicContact CB-CZ 3.92Å; L214-F216 HydrophobicContact CB-CD2 4.39Å; L214-F216 HydrophobicContact CB-CE2 3.55Å; L214-F216 HydrophobicContact CB-CZ 3.72Å; L214-F216 HydrophobicContact CD1-CZ 3.88Å; L214-F216 HydrophobicContact CG-CZ 4.49Å; L214-F216 WeakPolarHBondContact O-CE2 3.26Å
217Y95Very high88.7Confident29 Ų2950.4 Ų50.411%0.11426%0.262CS..EExtended strand (participates in β ladder)trans-130.4135.1177.4-50.1-86.6000110.5E175 V176 F177 I178 A229 K232 V233 K236E175-Y217 HydrophobicContact CB-CE2 4.15Å; E175-Y217 WeakPolarHBondContact OE2-CE2 3.45Å; E175-Y217 VanDerWaalsContact OE2-CZ 3.22Å; E175-Y217 PolarHBondContact OE2-OH 2.92Å; V176-Y217 PolarHBondContact O-N 2.89Å; F177-Y217 AromaticContact CD1-CD2 3.7Å; F177-Y217 HydrophobicContact CD1-CD2 3.7Å; F177-Y217 HydrophobicContact CD1-CG 4.29Å; F177-Y217 AromaticContact CE1-CD2 3.52Å; F177-Y217 HydrophobicContact CE1-CD2 3.52Å; F177-Y217 HydrophobicContact CE1-CE2 4.16Å; F177-Y217 HydrophobicContact CE1-CG 4.13Å; I178-Y217 PolarHBondContact N-O 3.2Å; Y217-A229 HydrophobicContact CD1-CB 4.2Å; Y217-A229 HydrophobicContact CG-CB 3.91Å; Y217-K232 HydrophobicContact CD1-CD 4.26Å; Y217-K232 HydrophobicContact CE1-CB 4.05Å; Y217-K232 HydrophobicContact CE1-CD 3.64Å; Y217-K232 HydrophobicContact CE1-CG 4.49Å; Y217-V233 HydrophobicContact CE2-CG2 4.41Å; Y217-K236 PolarHBondContact OH-NZ 2.95Å
218L93.7Very high89Confident49 Ų4949.4 Ų49.426%0.25725%0.248SC..EExtended strand (participates in β ladder)trans-80.8124.7167.3-62.5171.8000107.3I178 V181 K189 Q193I178-L218 HydrophobicContact CB-CD2 4.03Å; I178-L218 HydrophobicContact CD1-CD2 4.25Å; I178-L218 HydrophobicContact CG2-CD2 3.94Å; V181-L218 HydrophobicContact CG1-CB 4.32Å; V181-L218 HydrophobicContact CG1-CD2 3.92Å; V181-L218 HydrophobicContact CG2-CB 4.44Å; K189-L218 HydrophobicContact CB-CD1 4.23Å; Q193-L218 HydrophobicContact CB-CD2 4.21Å; Q193-L218 HydrophobicContact CG-CD2 4.48Å
219T94.7Very high89.4Confident0 Ų046.7 Ų46.70%022%0.22CC..EExtended strand (participates in β ladder)trans-135.8142.2-174.460.40000112.2F177 I178 H179 K180 S225 I226 A229F177-T219 HydrophobicContact CB-CG2 4.29Å; F177-T219 HydrophobicContact CD1-CG2 4.23Å; F177-T219 HydrophobicContact CD2-CG2 4.07Å; F177-T219 HydrophobicContact CE2-CG2 4.47Å; F177-T219 HydrophobicContact CG-CG2 3.94Å; I178-T219 PolarHBondContact O-N 2.69Å; I178-T219 PolarHBondContact O-OG1 2.88Å; H179-T219 CarbonylContact C-O 3.55Å; H179-T219 WeakPolarHBondContact CA-O 3.45Å; H179-T219 PolarHBondContact ND1-O 3Å; H179-T219 PolarHBondContact ND1-OG1 3.19Å; K180-T219 PolarHBondContact N-O 3.01Å; K180-T219 VanDerWaalsContact N-O 3.12Å; T219-S225 VanDerWaalsContact CA-OG 3.31Å; T219-S225 WeakPolarHBondContact CA-OG 3.38Å; T219-I226 HydrophobicContact CG2-CD1 3.97Å; T219-A229 HydrophobicContact CG2-CB 3.59Å
220S92.7Very high89.8Confident0 Ų044.9 Ų44.90%021%0.21CC..  trans-136.9151.3167.3175.70000109.6D182 Y222 D223 S225 I226D182-S220 WeakPolarHBondContact CB-OG 3.44Å; S220-Y222 VanDerWaalsContact C-N 3.31Å; S220-Y222 PolarHBondContact OG-N 3.3Å; S220-Y222 VanDerWaalsContact OG-N 3.1Å; S220-D223 WeakPolarHBondContact CB-OD1 3.23Å; S220-D223 VanDerWaalsContact O-OD1 3.11Å; S220-S225 PolarHBondContact N-OG 3.47Å; S220-I226 VanDerWaalsContact O-CB 3.32Å; S220-I226 WeakPolarHBondContact O-CB 3.45Å; S220-I226 VanDerWaalsContact O-CG2 3.31Å; S220-I226 WeakPolarHBondContact O-CG2 3.42Å
221I91.1Very high90.5Very high17 Ų1737.3 Ų37.39%0.08718%0.175CC..SBendtrans-82.6-13.1171.758.1171.6000112.5I78 V81 P88 T91I78-I221 HydrophobicContact CG1-CG2 4.02Å; V81-I221 HydrophobicContact CG2-CB 4.29Å; V81-I221 HydrophobicContact CG2-CG2 4.36Å; P88-I221 HydrophobicContact CB-CD1 4.34Å; P88-I221 HydrophobicContact CB-CG1 4.36Å; P88-I221 WeakPolarHBondContact CG-O 3.27Å; T91-I221 HydrophobicContact CG2-CD1 4.48Å; T91-I221 WeakPolarHBondContact OG1-CD1 3.46Å
222Y88.6Confident91Very high114 Ų11432.3 Ų32.345%0.44715%0.153SC..SBendtrans-88.6-17.4-179.4-65.2-72.4000113.1P88 D182 S220P88-Y222 HydrophobicContact CB-CD1 3.67Å; P88-Y222 HydrophobicContact CB-CE1 3.75Å; D182-Y222 HydrophobicContact CB-CD2 4.06Å; S220-Y222 VanDerWaalsContact C-N 3.31Å; S220-Y222 PolarHBondContact OG-N 3.3Å; S220-Y222 VanDerWaalsContact OG-N 3.1Å
223D86.6Confident91.2Very high59 Ų5931.9 Ų31.932%0.31615%0.151SC..SBendtrans-116.4177.5174.766.118.7000110.4S220 S225S220-D223 WeakPolarHBondContact CB-OD1 3.23Å; S220-D223 VanDerWaalsContact O-OD1 3.11Å; D223-S225 VanDerWaalsContact CG-OG 3.3Å; D223-S225 PolarHBondContact O-N 3.3Å; D223-S225 WeakPolarHBondContact OD1-CB 3.38Å; D223-S225 PolarHBondContact OD1-N 2.88Å; D223-S225 PolarHBondContact OD1-OG 3.39Å; D223-S225 PolarHBondContact OD2-OG 2.89Å
224H87.3Confident91.2Very high33 Ų3324.3 Ų24.315%0.15312%0.116CC..THydrogen-bonded Turntrans-80.3-0.6-179.8-69.4-98.2000113.4I226 F227 E228 M280 Y283 E284 D288H224-I226 VanDerWaalsContact C-N 3.25Å; H224-I226 PolarHBondContact O-N 3.49Å; H224-F227 PolarHBondContact O-N 3.14Å; H224-E228 PolarHBondContact O-N 3.23Å; H224-M280 HydrophobicContact CB-CE 3.63Å; H224-Y283 HydrophobicContact CB-CD1 4.28Å; H224-Y283 HydrophobicContact CB-CE1 4.08Å; H224-E284 IonicContact CD2-OE1 2.58Å; H224-D288 IonicContact CE1-OD1 3.6Å; H224-D288 IonicContact NE2-OD1 2.74Å
225S91.4Very high91.1Very high12 Ų1224.5 Ų24.58%0.08412%0.117CC..Hα-helixtrans-65.8-31.1-17068.30000111.9T219 S220 D223 F227 E228 A229 M280T219-S225 VanDerWaalsContact CA-OG 3.31Å; T219-S225 WeakPolarHBondContact CA-OG 3.38Å; S220-S225 PolarHBondContact N-OG 3.47Å; D223-S225 VanDerWaalsContact CG-OG 3.3Å; D223-S225 PolarHBondContact O-N 3.3Å; D223-S225 WeakPolarHBondContact OD1-CB 3.38Å; D223-S225 PolarHBondContact OD1-N 2.88Å; D223-S225 PolarHBondContact OD1-OG 3.39Å; D223-S225 PolarHBondContact OD2-OG 2.89Å; S225-F227 VanDerWaalsContact C-N 3.32Å; S225-F227 PolarHBondContact O-N 3.02Å; S225-E228 PolarHBondContact O-N 2.97Å; S225-A229 WeakPolarHBondContact O-CB 3.33Å; S225-A229 PolarHBondContact O-N 2.91Å; S225-M280 VanDerWaalsContact CA-CE 3.4Å
226I92.1Very high90.8Very high0 Ų027.1 Ų27.10%012%0.124CC..Hα-helixtrans-62.2-41174.7-171.758.8000111.7I78 V82 F177 T219 S220 H224 A229 F230I78-I226 HydrophobicContact CD1-CD1 4.23Å; I78-I226 HydrophobicContact CG1-CD1 4.13Å; I78-I226 HydrophobicContact CG1-CG1 4.47Å; I78-I226 HydrophobicContact CG2-CD1 3.76Å; I78-I226 HydrophobicContact CG2-CG1 3.97Å; V82-I226 HydrophobicContact CG2-CG1 3.9Å; V82-I226 HydrophobicContact CG2-CG2 4.28Å; F177-I226 HydrophobicContact CD2-CD1 3.8Å; F177-I226 HydrophobicContact CE2-CD1 3.63Å; T219-I226 HydrophobicContact CG2-CD1 3.97Å; S220-I226 VanDerWaalsContact O-CB 3.32Å; S220-I226 WeakPolarHBondContact O-CB 3.45Å; S220-I226 VanDerWaalsContact O-CG2 3.31Å; S220-I226 WeakPolarHBondContact O-CG2 3.42Å; H224-I226 VanDerWaalsContact C-N 3.25Å; H224-I226 PolarHBondContact O-N 3.49Å; I226-A229 PolarHBondContact O-N 3.46Å; I226-F230 HydrophobicContact CD1-CD2 3.84Å; I226-F230 HydrophobicContact CD1-CE2 3.8Å; I226-F230 HydrophobicContact CG1-CD2 3.97Å; I226-F230 HydrophobicContact CG1-CE2 4.13Å; I226-F230 WeakPolarHBondContact O-CB 3.26Å; I226-F230 WeakPolarHBondContact O-CD2 3.4Å; I226-F230 PolarHBondContact O-N 3Å
227F90.1Very high90.2Very high20 Ų2027.4 Ų27.49%0.08813%0.127CC..Hα-helixtrans-70-36.8178.5-62.1-89.5000111.2V81 V82 H224 S225 F230 S231 S267 K268 Y283V81-F227 HydrophobicContact CG1-CE2 4.48Å; V81-F227 HydrophobicContact CG1-CZ 4.27Å; V82-F227 HydrophobicContact CB-CE1 4.17Å; V82-F227 HydrophobicContact CG1-CD1 4.07Å; V82-F227 HydrophobicContact CG1-CE1 4.04Å; V82-F227 HydrophobicContact CG2-CD1 4.29Å; V82-F227 HydrophobicContact CG2-CE1 4.12Å; V82-F227 HydrophobicContact CG2-CZ 4.44Å; H224-F227 PolarHBondContact O-N 3.14Å; S225-F227 VanDerWaalsContact C-N 3.32Å; S225-F227 PolarHBondContact O-N 3.02Å; F227-F230 PolarHBondContact O-N 3.5Å; F227-S231 WeakPolarHBondContact O-CB 3.08Å; F227-S231 PolarHBondContact O-N 3.06Å; F227-S231 PolarHBondContact O-OG 3.27Å; F227-S267 WeakPolarHBondContact CD1-O 3.29Å; F227-S267 WeakPolarHBondContact CE1-O 3.32Å; F227-K268 HydrophobicContact CD1-CB 4.31Å; F227-Y283 HydrophobicContact CB-CE1 4.07Å; F227-Y283 WeakPolarHBondContact CB-OH 3.19Å
228E89.9Confident89.6Confident31 Ų3126.8 Ų26.815%0.14513%0.125CC..Hα-helixtrans-63.2-46.7174.2-165.7-152.2163.400111.3H224 S225 S231 K232 Y270 M280 Y283H224-E228 PolarHBondContact O-N 3.23Å; S225-E228 PolarHBondContact O-N 2.97Å; E228-S231 WeakPolarHBondContact O-CB 3.32Å; E228-S231 PolarHBondContact O-N 3.46Å; E228-K232 PolarHBondContact O-N 3.32Å; E228-K232 VanDerWaalsContact O-N 3.07Å; E228-K232 WeakPolarHBondContact OE1-CE 3.41Å; E228-K232 IonicContact OE1-NZ 2.7Å; E228-K232 PolarHBondContact OE1-NZ 3.25Å; E228-Y270 HydrophobicContact CG-CE1 4.17Å; E228-M280 HydrophobicContact CB-SD 4.22Å; E228-M280 HydrophobicContact CG-SD 4.43Å; E228-Y283 HydrophobicContact CB-CD1 4.35Å; E228-Y283 HydrophobicContact CB-CE1 4.19Å
229A92.3Very high88.9Confident3 Ų329.7 Ų29.73%0.02515%0.147CC..Hα-helixtrans-60.4-48.317700000110.9F177 Y217 T219 S225 I226 S231 K232 V233F177-A229 HydrophobicContact CE1-CB 3.81Å; F177-A229 HydrophobicContact CE2-CB 4.42Å; F177-A229 HydrophobicContact CZ-CB 3.76Å; Y217-A229 HydrophobicContact CD1-CB 4.2Å; Y217-A229 HydrophobicContact CG-CB 3.91Å; T219-A229 HydrophobicContact CG2-CB 3.59Å; S225-A229 WeakPolarHBondContact O-CB 3.33Å; S225-A229 PolarHBondContact O-N 2.91Å; I226-A229 PolarHBondContact O-N 3.46Å; A229-S231 VanDerWaalsContact C-N 3.28Å; A229-S231 PolarHBondContact O-N 3.35Å; A229-K232 PolarHBondContact O-N 3.43Å; A229-V233 WeakPolarHBondContact O-CG2 3.05Å; A229-V233 PolarHBondContact O-N 3.33Å
230F90.6Very high88.2Confident0 Ų031.7 Ų31.70%016%0.156CC..Hα-helixtrans-58.9-39.1174.6-97.6-81.2000112.8L67 I78 V82 F83 I142 F177 I226 F227 K232 V233 V234 I269L67-F230 HydrophobicContact CD2-CZ 4.1Å; I78-F230 HydrophobicContact CG2-CD2 4.48Å; I78-F230 HydrophobicContact CG2-CE2 3.37Å; I78-F230 HydrophobicContact CG2-CZ 3.89Å; V82-F230 HydrophobicContact CG2-CD2 4.16Å; V82-F230 HydrophobicContact CG2-CE2 4.28Å; F83-F230 HydrophobicContact CE2-CD1 4.47Å; F83-F230 HydrophobicContact CE2-CE1 4.09Å; F83-F230 HydrophobicContact CE2-CZ 4.33Å; F83-F230 HydrophobicContact CZ-CD1 4.25Å; F83-F230 HydrophobicContact CZ-CE1 4.23Å; I142-F230 HydrophobicContact CD1-CD1 4.3Å; I142-F230 HydrophobicContact CD1-CE1 3.69Å; I142-F230 HydrophobicContact CD1-CZ 3.92Å; F177-F230 AromaticContact CE2-CD2 3.9Å; F177-F230 HydrophobicContact CE2-CD2 3.9Å; F177-F230 AromaticContact CE2-CE2 3.65Å; F177-F230 HydrophobicContact CE2-CE2 3.65Å; F177-F230 HydrophobicContact CE2-CZ 4.27Å; F177-F230 HydrophobicContact CZ-CD2 4.26Å; F177-F230 HydrophobicContact CZ-CE2 4.35Å; I226-F230 HydrophobicContact CD1-CD2 3.84Å; I226-F230 HydrophobicContact CD1-CE2 3.8Å; I226-F230 HydrophobicContact CG1-CD2 3.97Å; I226-F230 HydrophobicContact CG1-CE2 4.13Å; I226-F230 WeakPolarHBondContact O-CB 3.26Å; I226-F230 WeakPolarHBondContact O-CD2 3.4Å; I226-F230 PolarHBondContact O-N 3Å; F227-F230 PolarHBondContact O-N 3.5Å; F230-K232 VanDerWaalsContact C-N 3.34Å; F230-K232 PolarHBondContact O-N 2.91Å; F230-V233 PolarHBondContact O-N 3.32Å; F230-V234 WeakPolarHBondContact O-CB 3.43Å; F230-V234 VanDerWaalsContact O-CG2 3.27Å; F230-V234 WeakPolarHBondContact O-CG2 3.3Å; F230-V234 PolarHBondContact O-N 3Å; F230-I269 HydrophobicContact CB-CD1 4.19Å
231S90.3Very high87.9Confident0 Ų032.9 Ų32.90%016%0.162CC..Hα-helixtrans-60.9-43177.3-59.90000112.2F227 E228 A229 V234 Q235 I269 Y270F227-S231 WeakPolarHBondContact O-CB 3.08Å; F227-S231 PolarHBondContact O-N 3.06Å; F227-S231 PolarHBondContact O-OG 3.27Å; E228-S231 WeakPolarHBondContact O-CB 3.32Å; E228-S231 PolarHBondContact O-N 3.46Å; A229-S231 VanDerWaalsContact C-N 3.28Å; A229-S231 PolarHBondContact O-N 3.35Å; S231-V234 PolarHBondContact O-N 3.29Å; S231-Q235 WeakPolarHBondContact O-CB 3.35Å; S231-Q235 VanDerWaalsContact O-CG 3.23Å; S231-Q235 WeakPolarHBondContact O-CG 3.26Å; S231-Q235 PolarHBondContact O-N 2.77Å; S231-I269 WeakPolarHBondContact OG-CA 3.39Å; S231-I269 WeakPolarHBondContact OG-CG2 2.94Å; S231-Y270 WeakPolarHBondContact CB-O 3.29Å; S231-Y270 WeakPolarHBondContact OG-CD1 2.96Å; S231-Y270 WeakPolarHBondContact OG-CE1 3.49Å; S231-Y270 PolarHBondContact OG-N 3.03Å
232K90.7Very high87.9Confident68 Ų6835.6 Ų35.630%0.29618%0.181SC..Hα-helixtrans-64.8-39.5174.1-67.9176.6-175.6166.10112.2Y217 E228 A229 F230 K236Y217-K232 HydrophobicContact CD1-CD 4.26Å; Y217-K232 HydrophobicContact CE1-CB 4.05Å; Y217-K232 HydrophobicContact CE1-CD 3.64Å; Y217-K232 HydrophobicContact CE1-CG 4.49Å; E228-K232 PolarHBondContact O-N 3.32Å; E228-K232 VanDerWaalsContact O-N 3.07Å; E228-K232 WeakPolarHBondContact OE1-CE 3.41Å; E228-K232 IonicContact OE1-NZ 2.7Å; E228-K232 PolarHBondContact OE1-NZ 3.25Å; A229-K232 PolarHBondContact O-N 3.43Å; F230-K232 VanDerWaalsContact C-N 3.34Å; F230-K232 PolarHBondContact O-N 2.91Å; K232-K236 WeakPolarHBondContact O-CG 3.04Å; K232-K236 PolarHBondContact O-N 3.03Å
233V90.8Very high88Confident0 Ų033.4 Ų33.40%018%0.18CC..Hα-helixtrans-64.5-46.3175.9178.60000111.1A140 I142 E175 F177 Y217 A229 F230 Q235 K236 L237A140-V233 HydrophobicContact CB-CG1 3.81Å; I142-V233 HydrophobicContact CD1-CG1 4.1Å; I142-V233 HydrophobicContact CD1-CG2 4.35Å; I142-V233 HydrophobicContact CG1-CG1 4.24Å; I142-V233 HydrophobicContact CG1-CG2 4.46Å; E175-V233 HydrophobicContact CB-CG2 4Å; E175-V233 HydrophobicContact CG-CG1 4.17Å; E175-V233 HydrophobicContact CG-CG2 3.72Å; F177-V233 HydrophobicContact CE1-CG2 4.08Å; F177-V233 HydrophobicContact CZ-CG2 4.1Å; Y217-V233 HydrophobicContact CE2-CG2 4.41Å; A229-V233 WeakPolarHBondContact O-CG2 3.05Å; A229-V233 PolarHBondContact O-N 3.33Å; F230-V233 PolarHBondContact O-N 3.32Å; V233-Q235 VanDerWaalsContact C-N 3.34Å; V233-Q235 PolarHBondContact O-N 2.99Å; V233-K236 PolarHBondContact O-N 2.71Å; V233-L237 WeakPolarHBondContact O-CG 3.41Å; V233-L237 PolarHBondContact O-N 3.07Å
234V88Confident88.2Confident3 Ų330.7 Ų30.72%0.01817%0.165CC..Hα-helixtrans-64.8-39.3179.9171.90000111I65 V111 F113 F230 S231 K236 L237 I238 I269I65-V234 HydrophobicContact CD1-CG2 4.3Å; V111-V234 HydrophobicContact CG1-CG1 3.97Å; V111-V234 HydrophobicContact CG2-CG1 4.37Å; F113-V234 HydrophobicContact CD1-CG2 4.36Å; F113-V234 HydrophobicContact CE1-CG1 4.38Å; F113-V234 HydrophobicContact CE1-CG2 3.58Å; F113-V234 HydrophobicContact CZ-CG2 4.24Å; F230-V234 WeakPolarHBondContact O-CB 3.43Å; F230-V234 VanDerWaalsContact O-CG2 3.27Å; F230-V234 WeakPolarHBondContact O-CG2 3.3Å; F230-V234 PolarHBondContact O-N 3Å; S231-V234 PolarHBondContact O-N 3.29Å; V234-K236 PolarHBondContact O-N 3.15Å; V234-L237 WeakPolarHBondContact O-CB 3.34Å; V234-L237 PolarHBondContact O-N 2.96Å; V234-I238 HydrophobicContact CG1-CD1 3.92Å; V234-I238 WeakPolarHBondContact O-CD1 3.42Å; V234-I238 WeakPolarHBondContact O-CG1 3.2Å; V234-I238 PolarHBondContact O-N 3.06Å; V234-I269 HydrophobicContact CB-CG2 4.25Å; V234-I269 HydrophobicContact CG1-CG2 4.46Å; V234-I269 HydrophobicContact CG2-CG2 4.29Å
235Q87.8Confident88.4Confident21 Ų2132 Ų3210%0.09817%0.172CC..Hα-helixtrans-54.8-47.9174-8517016.200112.7S231 V233 L237 I238 L241 Y270 I271S231-Q235 WeakPolarHBondContact O-CB 3.35Å; S231-Q235 VanDerWaalsContact O-CG 3.23Å; S231-Q235 WeakPolarHBondContact O-CG 3.26Å; S231-Q235 PolarHBondContact O-N 2.77Å; V233-Q235 VanDerWaalsContact C-N 3.34Å; V233-Q235 PolarHBondContact O-N 2.99Å; Q235-L237 PolarHBondContact O-N 3.15Å; Q235-L237 VanDerWaalsContact O-N 3.14Å; Q235-I238 PolarHBondContact O-N 3.05Å; Q235-L241 HydrophobicContact CB-CD1 4.4Å; Q235-L241 HydrophobicContact CB-CD2 3.8Å; Q235-L241 HydrophobicContact CG-CD1 3.98Å; Q235-L241 HydrophobicContact CG-CD2 4.23Å; Q235-Y270 PolarHBondContact NE2-O 2.89Å; Q235-I271 WeakPolarHBondContact CG-O 3.28Å
236K87.9Confident88.5Confident87 Ų8736 Ų3638%0.37819%0.192SC..Hα-helixtrans-62.3-21.2177.5-67.5175.4-178.9-178.80113.5E175 S215 Y217 K232 V233 V234E175-K236 VanDerWaalsContact OE1-CD 3.27Å; E175-K236 WeakPolarHBondContact OE1-CD 3.38Å; E175-K236 IonicContact OE1-NZ 2.73Å; E175-K236 PolarHBondContact OE1-NZ 3.28Å; E175-K236 IonicContact OE2-NZ 2.78Å; E175-K236 PolarHBondContact OE2-NZ 3.35Å; S215-K236 PolarHBondContact OG-NZ 3.43Å; Y217-K236 PolarHBondContact OH-NZ 2.95Å; K232-K236 WeakPolarHBondContact O-CG 3.04Å; K232-K236 PolarHBondContact O-N 3.03Å; V233-K236 PolarHBondContact O-N 2.71Å; V234-K236 PolarHBondContact O-N 3.15Å
237L83.8Confident88.6Confident30 Ų3037.7 Ų37.716%0.15720%0.201CC..Hα-helixtrans-85.3-13.3176.9-64.6174.1000113.4I65 G139 A140 V233 V234 Q235 P239I65-L237 HydrophobicContact CD1-CD1 3.71Å; I65-L237 HydrophobicContact CG1-CD1 3.65Å; G139-L237 WeakPolarHBondContact O-CD2 3.38Å; A140-L237 HydrophobicContact CB-CD1 4.09Å; A140-L237 HydrophobicContact CB-CD2 3.88Å; A140-L237 HydrophobicContact CB-CG 4.25Å; V233-L237 WeakPolarHBondContact O-CG 3.41Å; V233-L237 PolarHBondContact O-N 3.07Å; V234-L237 WeakPolarHBondContact O-CB 3.34Å; V234-L237 PolarHBondContact O-N 2.96Å; Q235-L237 PolarHBondContact O-N 3.15Å; Q235-L237 VanDerWaalsContact O-N 3.14Å; L237-P239 VanDerWaalsContact O-CD 3.27Å; L237-P239 WeakPolarHBondContact O-CD 3.25Å
238I82Confident88.8Confident15 Ų1536.8 Ų36.88%0.07720%0.197CC..  trans-94.4107.8-176.3-63.7153.5000109.3F110 V234 Q235 Q240 L241 I271F110-I238 HydrophobicContact CD1-CD1 4.43Å; F110-I238 HydrophobicContact CE1-CD1 3.6Å; F110-I238 HydrophobicContact CE1-CG1 3.99Å; F110-I238 HydrophobicContact CE1-CG2 3.98Å; F110-I238 HydrophobicContact CZ-CD1 4.43Å; F110-I238 HydrophobicContact CZ-CG2 3.69Å; V234-I238 HydrophobicContact CG1-CD1 3.92Å; V234-I238 WeakPolarHBondContact O-CD1 3.42Å; V234-I238 WeakPolarHBondContact O-CG1 3.2Å; V234-I238 PolarHBondContact O-N 3.06Å; Q235-I238 PolarHBondContact O-N 3.05Å; I238-Q240 HydrophobicContact CG2-CB 4.49Å; I238-Q240 PolarHBondContact O-N 3.49Å; I238-Q240 VanDerWaalsContact O-N 3.16Å; I238-L241 HydrophobicContact CB-CB 4.42Å; I238-L241 HydrophobicContact CG2-CB 4.38Å; I238-L241 WeakPolarHBondContact O-CB 3.26Å; I238-L241 PolarHBondContact O-N 3.31Å; I238-I271 HydrophobicContact CD1-CG2 4.04Å
239P78.3Confident89Confident111 Ų11137.4 Ų37.472%0.72120%0.201SC*.THydrogen-bonded Turntrans-68.1-18.8-177.427-35.4000113.8L237L237-P239 VanDerWaalsContact O-CD 3.27Å; L237-P239 WeakPolarHBondContact O-CD 3.25Å
240Q80.1Confident89.1Confident42 Ų4241.9 Ų41.920%0.19622%0.224CC..THydrogen-bonded Turntrans-95.27.3-179.3-65.2172-1300112.8I238 P242 T243 L244I238-Q240 HydrophobicContact CG2-CB 4.49Å; I238-Q240 PolarHBondContact O-N 3.49Å; I238-Q240 VanDerWaalsContact O-N 3.16Å; Q240-P242 VanDerWaalsContact C-CD 3.48Å; Q240-T243 WeakPolarHBondContact O-CB 3.13Å; Q240-T243 PolarHBondContact O-N 3.31Å; Q240-T243 VanDerWaalsContact O-N 3.09Å; Q240-L244 PolarHBondContact O-N 3.46Å
241L86.4Confident89.3Confident24 Ų2442.2 Ų42.213%0.12623%0.225CC..Hα-helixtrans-52.5-45.9-178.3179.268.7000112.8Q235 I238 T243 L244 E245 I271 A272Q235-L241 HydrophobicContact CB-CD1 4.4Å; Q235-L241 HydrophobicContact CB-CD2 3.8Å; Q235-L241 HydrophobicContact CG-CD1 3.98Å; Q235-L241 HydrophobicContact CG-CD2 4.23Å; I238-L241 HydrophobicContact CB-CB 4.42Å; I238-L241 HydrophobicContact CG2-CB 4.38Å; I238-L241 WeakPolarHBondContact O-CB 3.26Å; I238-L241 PolarHBondContact O-N 3.31Å; L241-T243 PolarHBondContact O-N 3Å; L241-T243 VanDerWaalsContact O-N 3.16Å; L241-L244 WeakPolarHBondContact O-CB 3.43Å; L241-L244 PolarHBondContact O-N 2.94Å; L241-E245 HydrophobicContact CD1-CG 4.13Å; L241-E245 HydrophobicContact CG-CG 4.15Å; L241-E245 WeakPolarHBondContact O-CG 3.33Å; L241-E245 PolarHBondContact O-N 3.29Å; L241-I271 WeakPolarHBondContact CD1-O 3.39Å; L241-A272 HydrophobicContact CD1-CB 4.05Å
242P90.5Very high89.5Confident74 Ų7443 Ų4348%0.48123%0.229SC..Hα-helixtrans-60.7-31.7-179.4-24.535.3000113.4Q240 N246Q240-P242 VanDerWaalsContact C-CD 3.48Å; P242-N246 WeakPolarHBondContact O-CB 3.23Å; P242-N246 PolarHBondContact O-N 2.82Å; P242-N246 PolarHBondContact O-ND2 3.18Å
243T90.8Very high89.6Confident69 Ų6944.4 Ų44.442%0.42325%0.248SC..Hα-helixtrans-68.3-42.6175.5-51.30000110.8Q240 L241 N246 L247 V367Q240-T243 WeakPolarHBondContact O-CB 3.13Å; Q240-T243 PolarHBondContact O-N 3.31Å; Q240-T243 VanDerWaalsContact O-N 3.09Å; L241-T243 PolarHBondContact O-N 3Å; L241-T243 VanDerWaalsContact O-N 3.16Å; T243-N246 PolarHBondContact O-N 3.28Å; T243-L247 HydrophobicContact CG2-CD1 4.46Å; T243-L247 VanDerWaalsContact O-CG 3.31Å; T243-L247 WeakPolarHBondContact O-CG 3.31Å; T243-L247 PolarHBondContact O-N 3.43Å; T243-V367 HydrophobicContact CG2-CG2 4.08Å
244L90.3Very high89.7Confident1 Ų149.7 Ų49.71%0.00528%0.276CS..Hα-helixtrans-65.8-44.5178.1-63.5178.2000111.9F110 Q240 L241 N246 L247 L248 I271 A272 I364 V367F110-L244 HydrophobicContact CE1-CD1 4.16Å; F110-L244 HydrophobicContact CE2-CD1 4.24Å; F110-L244 HydrophobicContact CZ-CD1 3.51Å; Q240-L244 PolarHBondContact O-N 3.46Å; L241-L244 WeakPolarHBondContact O-CB 3.43Å; L241-L244 PolarHBondContact O-N 2.94Å; L244-N246 VanDerWaalsContact C-N 3.33Å; L244-N246 PolarHBondContact O-N 3.04Å; L244-L247 PolarHBondContact O-N 2.88Å; L244-L248 WeakPolarHBondContact O-CG 3.27Å; L244-L248 PolarHBondContact O-N 3.04Å; L244-I271 HydrophobicContact CD1-CG2 3.96Å; L244-A272 HydrophobicContact CB-CB 3.81Å; L244-A272 HydrophobicContact CD1-CB 4.28Å; L244-I364 HydrophobicContact CD2-CD1 3.35Å; L244-V367 HydrophobicContact CD2-CG1 4.49Å
245E92.1Very high89.8Confident61 Ų6149.9 Ų49.929%0.28528%0.278SS..Hα-helixtrans-58.9-45.2175.2-69.5179.8170.500111L241 L247 L248 N249L241-E245 HydrophobicContact CD1-CG 4.13Å; L241-E245 HydrophobicContact CG-CG 4.15Å; L241-E245 WeakPolarHBondContact O-CG 3.33Å; L241-E245 PolarHBondContact O-N 3.29Å; E245-L247 PolarHBondContact O-N 3Å; E245-L248 PolarHBondContact O-N 3.45Å; E245-N249 WeakPolarHBondContact O-CB 3.5Å; E245-N249 PolarHBondContact O-N 3.37Å; E245-N249 PolarHBondContact O-ND2 3.34Å; E245-N249 VanDerWaalsContact O-ND2 3.08Å
246N93.7Very high89.9Confident96 Ų9650.4 Ų50.451%0.51329%0.288SS..Hα-helixtrans-63.7-40.9176.9-75.7-31.9000112.6P242 T243 L244 L248 N249 I250P242-N246 WeakPolarHBondContact O-CB 3.23Å; P242-N246 PolarHBondContact O-N 2.82Å; P242-N246 PolarHBondContact O-ND2 3.18Å; T243-N246 PolarHBondContact O-N 3.28Å; L244-N246 VanDerWaalsContact C-N 3.33Å; L244-N246 PolarHBondContact O-N 3.04Å; N246-L248 VanDerWaalsContact C-N 3.35Å; N246-N249 PolarHBondContact O-N 2.89Å; N246-I250 VanDerWaalsContact O-CG1 3.27Å; N246-I250 WeakPolarHBondContact O-CG1 3.34Å; N246-I250 PolarHBondContact O-N 2.89Å
247L94.2Very high90.2Very high36 Ų3646.8 Ų46.819%0.18827%0.273CS..Hα-helixtrans-62.9-41.4175.2-73.2174.5000111.7T243 L244 E245 I250 F251 F360 A363 I364 V367T243-L247 HydrophobicContact CG2-CD1 4.46Å; T243-L247 VanDerWaalsContact O-CG 3.31Å; T243-L247 WeakPolarHBondContact O-CG 3.31Å; T243-L247 PolarHBondContact O-N 3.43Å; L244-L247 PolarHBondContact O-N 2.88Å; E245-L247 PolarHBondContact O-N 3Å; L247-I250 PolarHBondContact O-N 3.29Å; L247-F251 WeakPolarHBondContact O-CB 3.46Å; L247-F251 PolarHBondContact O-N 2.94Å; L247-F360 HydrophobicContact CB-CD2 4.05Å; L247-F360 HydrophobicContact CB-CE2 3.82Å; L247-A363 HydrophobicContact CD1-CB 4.14Å; L247-A363 HydrophobicContact CD2-CB 3.92Å; L247-I364 HydrophobicContact CD1-CD1 3.94Å; L247-V367 HydrophobicContact CD1-CG2 4.16Å
248L94.4Very high90.6Very high0 Ų049.5 Ų49.50%029%0.285CS..Hα-helixtrans-63.4-46.1174.5-74.7171.7000111.2L244 E245 N246 I250 F251 I252 A260 A272 L338 F360L244-L248 WeakPolarHBondContact O-CG 3.27Å; L244-L248 PolarHBondContact O-N 3.04Å; E245-L248 PolarHBondContact O-N 3.45Å; N246-L248 VanDerWaalsContact C-N 3.35Å; L248-I250 VanDerWaalsContact C-N 3.33Å; L248-I250 PolarHBondContact O-N 2.87Å; L248-F251 PolarHBondContact O-N 3.39Å; L248-I252 WeakPolarHBondContact O-CB 3.48Å; L248-I252 WeakPolarHBondContact O-CG1 3.25Å; L248-I252 PolarHBondContact O-N 2.86Å; L248-A260 HydrophobicContact CD2-CB 4.4Å; L248-A272 HydrophobicContact CD1-CB 3.75Å; L248-L338 HydrophobicContact CD2-CD1 3.6Å; L248-F360 HydrophobicContact CD2-CE1 4.44Å; L248-F360 HydrophobicContact CD2-CE2 3.77Å; L248-F360 HydrophobicContact CD2-CZ 3.53Å; L248-F360 HydrophobicContact CG-CE2 4.07Å; L248-F360 HydrophobicContact CG-CZ 4.13Å
249N94.4Very high91.1Very high44 Ų4449.5 Ų49.524%0.23528%0.284CS..Hα-helixtrans-59.3-42.4177.9-70.5-37.5000111.8E245 N246 S253 S275E245-N249 WeakPolarHBondContact O-CB 3.5Å; E245-N249 PolarHBondContact O-N 3.37Å; E245-N249 PolarHBondContact O-ND2 3.34Å; E245-N249 VanDerWaalsContact O-ND2 3.08Å; N246-N249 PolarHBondContact O-N 2.89Å; N249-S253 VanDerWaalsContact O-CB 3.24Å; N249-S253 WeakPolarHBondContact O-CB 3.19Å; N249-S253 PolarHBondContact O-N 3.47Å; N249-S275 PolarHBondContact OD1-N 3.02Å; N249-S275 VanDerWaalsContact OD1-N 3.1Å; N249-S275 PolarHBondContact OD1-OG 2.79Å
250I94.6Very high91.9Very high97 Ų9744.2 Ų44.250%0.49725%0.25SC..Hα-helixtrans-63.2-46.1175.6-68.3165.1000110.8N246 L247 L248 N254N246-I250 VanDerWaalsContact O-CG1 3.27Å; N246-I250 WeakPolarHBondContact O-CG1 3.34Å; N246-I250 PolarHBondContact O-N 2.89Å; L247-I250 PolarHBondContact O-N 3.29Å; L248-I250 VanDerWaalsContact C-N 3.33Å; L248-I250 PolarHBondContact O-N 2.87Å; I250-N254 WeakPolarHBondContact O-CB 3.47Å; I250-N254 PolarHBondContact O-N 3.15Å; I250-N254 PolarHBondContact O-ND2 3.23Å
251F94.8Very high92.6Very high7 Ų742.2 Ų42.23%0.03124%0.241CC..Hα-helixtrans-62.1-46.3179.8170.6-110.7000112L247 L248 S255 I257 L338 I353 N356 F357 F360L247-F251 WeakPolarHBondContact O-CB 3.46Å; L247-F251 PolarHBondContact O-N 2.94Å; L248-F251 PolarHBondContact O-N 3.39Å; F251-S255 WeakPolarHBondContact O-CB 3.48Å; F251-S255 PolarHBondContact O-N 3.32Å; F251-S255 VanDerWaalsContact O-N 3.13Å; F251-S255 PolarHBondContact O-OG 3.26Å; F251-I257 HydrophobicContact CD1-CD1 3.94Å; F251-I257 HydrophobicContact CE1-CD1 3.16Å; F251-I257 HydrophobicContact CE2-CD1 4.26Å; F251-I257 HydrophobicContact CZ-CD1 3.36Å; F251-L338 HydrophobicContact CD1-CD2 4.14Å; F251-L338 HydrophobicContact CE1-CD2 3.55Å; F251-L338 HydrophobicContact CZ-CD2 4.07Å; F251-I353 HydrophobicContact CZ-CG2 4.27Å; F251-N356 HydrophobicContact CD2-CB 3.92Å; F251-N356 HydrophobicContact CE2-CB 3.96Å; F251-F357 HydrophobicContact CE2-CB 3.88Å; F251-F357 HydrophobicContact CZ-CB 4.23Å; F251-F357 HydrophobicContact CZ-CD2 4.29Å; F251-F360 HydrophobicContact CB-CB 4.42Å; F251-F360 HydrophobicContact CB-CD2 4.05Å; F251-F360 HydrophobicContact CB-CG 4.38Å; F251-F360 HydrophobicContact CD2-CB 4.2Å; F251-F360 HydrophobicContact CG-CB 4.39Å; F251-F360 HydrophobicContact CG-CG 4.42Å
252I93.8Very high92.9Very high17 Ų1741.1 Ų41.19%0.08724%0.235CC..Hα-helixtrans-66.4-49-178.2-68.6169000110.8L248 N254 S255 G256 I257 A260 D274L248-I252 WeakPolarHBondContact O-CB 3.48Å; L248-I252 WeakPolarHBondContact O-CG1 3.25Å; L248-I252 PolarHBondContact O-N 2.86Å; I252-N254 VanDerWaalsContact C-N 3.28Å; I252-N254 PolarHBondContact O-N 3.33Å; I252-S255 PolarHBondContact O-N 3.45Å; I252-G256 PolarHBondContact O-N 3.13Å; I252-I257 HydrophobicContact CB-CB 4.35Å; I252-I257 HydrophobicContact CG1-CB 4.27Å; I252-I257 HydrophobicContact CG1-CG2 4.18Å; I252-I257 HydrophobicContact CG2-CB 4.04Å; I252-I257 HydrophobicContact CG2-CG2 4.4Å; I252-I257 WeakPolarHBondContact CG2-O 3.06Å; I252-I257 PolarHBondContact O-N 2.93Å; I252-A260 HydrophobicContact CD1-CB 3.65Å; I252-A260 HydrophobicContact CG1-CB 3.89Å; I252-D274 HydrophobicContact CD1-CB 3.26Å
253S93.1Very high93Very high98 Ų9837.6 Ų37.669%0.68521%0.212SC*.Hα-helixtrans-61.2-36.1-178.7-175.40000112.6N249N249-S253 VanDerWaalsContact O-CB 3.24Å; N249-S253 WeakPolarHBondContact O-CB 3.19Å; N249-S253 PolarHBondContact O-N 3.47Å
254N92.5Very high92.8Very high111 Ų11134.6 Ų34.659%0.59419%0.193SC*.Hα-helixtrans-83.4-18.8-179.5-70.5-23.5000113.4I250 I252 N356I250-N254 WeakPolarHBondContact O-CB 3.47Å; I250-N254 PolarHBondContact O-N 3.15Å; I250-N254 PolarHBondContact O-ND2 3.23Å; I252-N254 VanDerWaalsContact C-N 3.28Å; I252-N254 PolarHBondContact O-N 3.33Å; N254-N356 PolarHBondContact O-ND2 2.76Å
255S91.2Very high92.6Very high7 Ų735.1 Ų35.15%0.04920%0.196CC..Hα-helixtrans-105.6-7.4-174.2-53.80000113.4F251 I252 I257 N356F251-S255 WeakPolarHBondContact O-CB 3.48Å; F251-S255 PolarHBondContact O-N 3.32Å; F251-S255 VanDerWaalsContact O-N 3.13Å; F251-S255 PolarHBondContact O-OG 3.26Å; I252-S255 PolarHBondContact O-N 3.45Å; S255-I257 VanDerWaalsContact C-N 3.3Å; S255-N356 WeakPolarHBondContact OG-CB 3.4Å; S255-N356 PolarHBondContact OG-ND2 3.3Å
256G89.8Confident92.1Very high31 Ų3135.2 Ų35.232%0.3220%0.201SC..THydrogen-bonded Turntrans66.434.8-177.700000112.7I252 S346I252-G256 PolarHBondContact O-N 3.13Å; G256-S346 WeakPolarHBondContact O-CB 3.42Å; G256-S346 PolarHBondContact O-OG 2.93Å
257I93.1Very high91.5Very high12 Ų1231.1 Ų31.16%0.06218%0.18CC..EExtended strand (participates in β ladder)trans-86.4145.1176.2-62.2173.7000107.5F251 I252 S255 K259 A260 C340 F341 V342 I353F251-I257 HydrophobicContact CD1-CD1 3.94Å; F251-I257 HydrophobicContact CE1-CD1 3.16Å; F251-I257 HydrophobicContact CE2-CD1 4.26Å; F251-I257 HydrophobicContact CZ-CD1 3.36Å; I252-I257 HydrophobicContact CB-CB 4.35Å; I252-I257 HydrophobicContact CG1-CB 4.27Å; I252-I257 HydrophobicContact CG1-CG2 4.18Å; I252-I257 HydrophobicContact CG2-CB 4.04Å; I252-I257 HydrophobicContact CG2-CG2 4.4Å; I252-I257 WeakPolarHBondContact CG2-O 3.06Å; I252-I257 PolarHBondContact O-N 2.93Å; S255-I257 VanDerWaalsContact C-N 3.3Å; I257-K259 VanDerWaalsContact CG2-O 3.27Å; I257-K259 WeakPolarHBondContact CG2-O 3.39Å; I257-A260 HydrophobicContact CG2-CB 4.48Å; I257-C340 HydrophobicContact CD1-CB 4.32Å; I257-C340 HydrophobicContact CG2-CB 3.91Å; I257-F341 VanDerWaalsContact CG2-O 3.29Å; I257-F341 WeakPolarHBondContact CG2-O 3.44Å; I257-V342 HydrophobicContact CG1-CG2 3.99Å; I257-V342 HydrophobicContact CG2-CG2 4.39Å; I257-I353 HydrophobicContact CD1-CG2 4.39Å
258E91.6Very high91.1Very high87 Ų8730.8 Ų30.841%0.40718%0.177SC..EExtended strand (participates in β ladder)trans-85.5-41.5178.8-66.1-170145.700111.9F341 R343E258-F341 PolarHBondContact N-O 3.32Å; E258-R343 HydrophobicContact CG-CG 4.31Å; E258-R343 WeakPolarHBondContact OE1-CG 3.31Å; E258-R343 IonicContact OE1-CZ 2.82Å; E258-R343 IonicContact OE1-NE 3.4Å; E258-R343 PolarHBondContact OE1-NE 2.87Å; E258-R343 IonicContact OE1-NH2 3.05Å; E258-R343 PolarHBondContact OE1-NH2 3.38Å; E258-R343 IonicContact OE2-CZ 3.67Å; E258-R343 IonicContact OE2-NE 3.93Å; E258-R343 PolarHBondContact OE2-NE 3.22Å; E258-R343 IonicContact OE2-NH2 3.97Å
259K93.4Very high90.8Very high15 Ų1531 Ų317%0.06518%0.178CC..EExtended strand (participates in β ladder)trans-149.8143.9-176.9-170.273.9-173148.90110.2I257 F261 T273 D274 T276 T282 C340 F341I257-K259 VanDerWaalsContact CG2-O 3.27Å; I257-K259 WeakPolarHBondContact CG2-O 3.39Å; K259-F261 HydrophobicContact CD-CE2 4.37Å; K259-F261 HydrophobicContact CD-CZ 4.21Å; K259-F261 VanDerWaalsContact CE-CZ 3.43Å; K259-F261 HydrophobicContact CG-CD2 4.22Å; K259-F261 HydrophobicContact CG-CE2 3.43Å; K259-F261 VanDerWaalsContact CG-CE2 3.43Å; K259-F261 HydrophobicContact CG-CZ 3.75Å; K259-T273 WeakPolarHBondContact CE-OG1 3.38Å; K259-T273 PolarHBondContact NZ-OG1 2.92Å; K259-D274 WeakPolarHBondContact CD-OD1 3.18Å; K259-D274 WeakPolarHBondContact CE-OD1 3.41Å; K259-D274 VanDerWaalsContact NZ-CG 3.33Å; K259-D274 IonicContact NZ-OD1 3.53Å; K259-D274 PolarHBondContact NZ-OD1 2.84Å; K259-D274 IonicContact NZ-OD2 2.79Å; K259-D274 PolarHBondContact NZ-OD2 3.05Å; K259-T276 WeakPolarHBondContact CD-OG1 3.46Å; K259-T276 WeakPolarHBondContact CE-OG1 3.34Å; K259-T276 PolarHBondContact NZ-O 3.38Å; K259-T276 PolarHBondContact NZ-OG1 2.86Å; K259-T282 HydrophobicContact CG-CG2 4.41Å; K259-C340 CarbonylContact O-C 3.58Å; K259-C340 WeakPolarHBondContact O-CA 3.46Å; K259-F341 HydrophobicContact CB-CB 4.16Å; K259-F341 HydrophobicContact CB-CD2 4.02Å; K259-F341 HydrophobicContact CB-CG 4.43Å; K259-F341 HydrophobicContact CG-CD2 4.42Å; K259-F341 PolarHBondContact O-N 3.25Å
260A94.6Very high90.7Very high0 Ų029 Ų290%017%0.167CC..EExtended strand (participates in β ladder)trans-140.2147.1170.200000112.8L248 I252 I257 T273 D274 L338 V339L248-A260 HydrophobicContact CD2-CB 4.4Å; I252-A260 HydrophobicContact CD1-CB 3.65Å; I252-A260 HydrophobicContact CG1-CB 3.89Å; I257-A260 HydrophobicContact CG2-CB 4.48Å; A260-T273 PolarHBondContact O-OG1 2.76Å; A260-D274 PolarHBondContact N-OD1 2.95Å; A260-L338 HydrophobicContact CB-CD1 4.26Å; A260-V339 CarbonylContact C-O 3.57Å; A260-V339 WeakPolarHBondContact CA-O 3.48Å
261F95.1Very high90.4Very high0 Ų024.4 Ų24.40%014%0.144CC..EExtended strand (participates in β ladder)trans-130.3134.6179.3-63.1-84.4000109.8K259 F263 Y270 T273 V278 T282 L338 V339 F341K259-F261 HydrophobicContact CD-CE2 4.37Å; K259-F261 HydrophobicContact CD-CZ 4.21Å; K259-F261 VanDerWaalsContact CE-CZ 3.43Å; K259-F261 HydrophobicContact CG-CD2 4.22Å; K259-F261 HydrophobicContact CG-CE2 3.43Å; K259-F261 VanDerWaalsContact CG-CE2 3.43Å; K259-F261 HydrophobicContact CG-CZ 3.75Å; F261-F263 HydrophobicContact CB-CD2 3.51Å; F261-F263 HydrophobicContact CB-CE2 3.16Å; F261-F263 HydrophobicContact CB-CZ 4.06Å; F261-F263 HydrophobicContact CD1-CE2 4.47Å; F261-F263 HydrophobicContact CD2-CE2 4.24Å; F261-F263 AromaticContact CG-CE2 3.76Å; F261-F263 HydrophobicContact CG-CE2 3.76Å; F261-F263 HydrophobicContact CG-CZ 4.3Å; F261-Y270 HydrophobicContact CD1-CD2 4.09Å; F261-Y270 HydrophobicContact CD1-CG 4.22Å; F261-T273 WeakPolarHBondContact CD1-OG1 3.45Å; F261-T273 WeakPolarHBondContact CE1-OG1 3.46Å; F261-V278 HydrophobicContact CE1-CB 4.47Å; F261-V278 HydrophobicContact CE1-CG1 3.82Å; F261-V278 HydrophobicContact CE1-CG2 3.9Å; F261-V278 HydrophobicContact CZ-CG1 4.03Å; F261-V278 HydrophobicContact CZ-CG2 4.5Å; F261-T282 HydrophobicContact CE2-CG2 3.88Å; F261-T282 HydrophobicContact CZ-CG2 4.29Å; F261-L338 WeakPolarHBondContact O-CA 3.1Å; F261-V339 PolarHBondContact N-O 2.83Å; F261-V339 PolarHBondContact O-N 2.92Å; F261-F341 HydrophobicContact CD2-CE2 4.33Å; F261-F341 HydrophobicContact CE2-CD2 4.4Å; F261-F341 HydrophobicContact CE2-CE2 4.01Å
262L93.4Very high90.2Very high0 Ų024 Ų240%014%0.142CC..EExtended strand (participates in β ladder)trans-99.1102.6170.7-17366.6000108.6Y270 I271 A272 V332 L336 A337 L338L262-Y270 CarbonylContact O-C 3.55Å; L262-Y270 WeakPolarHBondContact O-CA 3.4Å; L262-I271 HydrophobicContact CD2-CG2 4.27Å; L262-I271 PolarHBondContact O-N 3.49Å; L262-A272 HydrophobicContact CB-CB 4.4Å; L262-A272 PolarHBondContact N-O 2.84Å; L262-V332 HydrophobicContact CD1-CB 4.32Å; L262-V332 HydrophobicContact CD1-CG1 4.48Å; L262-V332 HydrophobicContact CD1-CG2 3.89Å; L262-L336 HydrophobicContact CD1-CB 4.22Å; L262-L336 HydrophobicContact CD2-CD1 4.3Å; L262-L336 HydrophobicContact CG-CD1 4.48Å; L262-A337 CarbonylContact C-O 3.59Å; L262-L338 HydrophobicContact CD1-CD1 4.46Å
263F91.8Very high90.2Very high0 Ų023.8 Ų23.80%014%0.141CC..EExtended strand (participates in β ladder)trans-95.8144.4-175.7-81.6-85.8000112.5F261 K268 Y283 C286 I290 L336 A337 V339F261-F263 HydrophobicContact CB-CD2 3.51Å; F261-F263 HydrophobicContact CB-CE2 3.16Å; F261-F263 HydrophobicContact CB-CZ 4.06Å; F261-F263 HydrophobicContact CD1-CE2 4.47Å; F261-F263 HydrophobicContact CD2-CE2 4.24Å; F261-F263 AromaticContact CG-CE2 3.76Å; F261-F263 HydrophobicContact CG-CE2 3.76Å; F261-F263 HydrophobicContact CG-CZ 4.3Å; F263-K268 WeakPolarHBondContact CD1-O 3.18Å; F263-K268 WeakPolarHBondContact CE1-O 3.5Å; F263-Y283 HydrophobicContact CE1-CD2 4.03Å; F263-Y283 AromaticContact CE1-CE2 3.39Å; F263-Y283 HydrophobicContact CE1-CE2 3.39Å; F263-Y283 AromaticContact CZ-CD2 3.74Å; F263-Y283 HydrophobicContact CZ-CD2 3.74Å; F263-Y283 AromaticContact CZ-CE2 3.61Å; F263-Y283 HydrophobicContact CZ-CE2 3.61Å; F263-C286 HydrophobicContact CE2-CB 3.46Å; F263-C286 VanDerWaalsContact CE2-CB 3.46Å; F263-C286 HydrophobicContact CZ-CB 3.49Å; F263-C286 VanDerWaalsContact CZ-CB 3.49Å; F263-I290 HydrophobicContact CB-CD1 3.68Å; F263-I290 HydrophobicContact CD1-CD1 3.83Å; F263-I290 HydrophobicContact CD2-CD1 3.94Å; F263-I290 HydrophobicContact CE1-CD1 4.38Å; F263-I290 HydrophobicContact CE2-CD1 4.48Å; F263-I290 HydrophobicContact CG-CD1 3.57Å; F263-L336 CarbonylContact O-C 3.59Å; F263-L336 VanDerWaalsContact O-CA 3.23Å; F263-L336 WeakPolarHBondContact O-CA 3.49Å; F263-A337 PolarHBondContact N-O 3.36Å; F263-A337 PolarHBondContact O-N 3.46Å; F263-V339 HydrophobicContact CD2-CB 4.11Å; F263-V339 HydrophobicContact CD2-CG2 3.79Å; F263-V339 HydrophobicContact CE2-CB 4.23Å; F263-V339 HydrophobicContact CE2-CG2 4.26Å
264D87.6Confident90.1Very high7 Ų719.5 Ų19.54%0.03711%0.111CC..EExtended strand (participates in β ladder)trans-83118.7155.7-177.568.6000109.4S108 V266 S267 K268 I269 I271 F335 L336S108-D264 WeakPolarHBondContact CB-OD1 3.47Å; S108-D264 PolarHBondContact OG-OD1 3.41Å; D264-V266 VanDerWaalsContact C-N 3.29Å; D264-V266 PolarHBondContact O-N 3.44Å; D264-S267 WeakPolarHBondContact CB-OG 3.3Å; D264-S267 WeakPolarHBondContact OD2-CB 3.48Å; D264-S267 PolarHBondContact OD2-N 3.11Å; D264-S267 VanDerWaalsContact OD2-N 3.11Å; D264-S267 PolarHBondContact OD2-OG 3.41Å; D264-K268 VanDerWaalsContact O-CA 3.26Å; D264-K268 WeakPolarHBondContact O-CA 3.46Å; D264-K268 PolarHBondContact O-N 2.62Å; D264-I269 PolarHBondContact N-O 3.41Å; D264-I271 HydrophobicContact CB-CD1 4.2Å; D264-F335 WeakPolarHBondContact CA-O 3.11Å; D264-L336 HydrophobicContact CB-CD2 4.27Å
265V85Confident89.9Confident11 Ų1118.8 Ų18.87%0.06712%0.115CC..THydrogen-bonded Turntrans-64.1-33.2-170.1175.10000112.5I290 I294 Y311 F335 A337V265-I290 HydrophobicContact CG1-CG2 4.2Å; V265-I294 HydrophobicContact CG1-CD1 3.57Å; V265-I294 HydrophobicContact CG1-CG1 3.81Å; V265-Y311 HydrophobicContact CG1-CD2 4.48Å; V265-Y311 HydrophobicContact CG2-CD2 4.37Å; V265-Y311 HydrophobicContact CG2-CE1 4.08Å; V265-Y311 HydrophobicContact CG2-CE2 3.91Å; V265-F335 PolarHBondContact N-O 2.87Å; V265-A337 HydrophobicContact CG2-CB 3.65Å
266V82.4Confident89.7Confident64 Ų6421.2 Ų21.239%0.38813%0.129SC..THydrogen-bonded Turntrans-79.1-51.9-176.6-178.50000110.9K85 D264K85-V266 WeakPolarHBondContact CE-O 3.41Å; D264-V266 VanDerWaalsContact C-N 3.29Å; D264-V266 PolarHBondContact O-N 3.44Å
267S80.8Confident89.5Confident10 Ų1025.6 Ų25.67%0.0715%0.152CC..THydrogen-bonded Turntrans-84.8-12.1-175.962.50000114.1F227 D264 I269F227-S267 WeakPolarHBondContact CD1-O 3.29Å; F227-S267 WeakPolarHBondContact CE1-O 3.32Å; D264-S267 WeakPolarHBondContact CB-OG 3.3Å; D264-S267 WeakPolarHBondContact OD2-CB 3.48Å; D264-S267 PolarHBondContact OD2-N 3.11Å; D264-S267 VanDerWaalsContact OD2-N 3.11Å; D264-S267 PolarHBondContact OD2-OG 3.41Å; S267-I269 PolarHBondContact O-N 2.9Å; S267-I269 VanDerWaalsContact O-N 3.14Å; S267-I269 WeakPolarHBondContact OG-CB 3.23Å; S267-I269 PolarHBondContact OG-N 2.97Å
268K85.7Confident89.2Confident29 Ų2926.8 Ų26.813%0.12616%0.159CC..  trans59.614-171.5-50.7178.9-171.6-178.60113.7F227 F263 D264 Y283 C287 D291F227-K268 HydrophobicContact CD1-CB 4.31Å; F263-K268 WeakPolarHBondContact CD1-O 3.18Å; F263-K268 WeakPolarHBondContact CE1-O 3.5Å; D264-K268 VanDerWaalsContact O-CA 3.26Å; D264-K268 WeakPolarHBondContact O-CA 3.46Å; D264-K268 PolarHBondContact O-N 2.62Å; K268-Y283 PolarHBondContact O-OH 2.8Å; K268-C287 HydrophobicContact CD-CB 4.36Å; K268-D291 WeakPolarHBondContact CE-OD1 3.32Å; K268-D291 IonicContact NZ-OD1 3.83Å; K268-D291 PolarHBondContact NZ-OD1 3.38Å; K268-D291 IonicContact NZ-OD2 2.7Å; K268-D291 PolarHBondContact NZ-OD2 2.95Å
269I88.9Confident89.1Confident3 Ų326.1 Ų26.12%0.01516%0.159CC..  trans-79.2130.4177.7-65.1177.2000108.5V82 F83 F230 S231 V234 D264 S267V82-I269 HydrophobicContact CG1-CD1 4.13Å; F83-I269 HydrophobicContact CE1-CD1 3.98Å; F83-I269 HydrophobicContact CZ-CD1 3.97Å; F230-I269 HydrophobicContact CB-CD1 4.19Å; S231-I269 WeakPolarHBondContact OG-CA 3.39Å; S231-I269 WeakPolarHBondContact OG-CG2 2.94Å; V234-I269 HydrophobicContact CB-CG2 4.25Å; V234-I269 HydrophobicContact CG1-CG2 4.46Å; V234-I269 HydrophobicContact CG2-CG2 4.29Å; D264-I269 PolarHBondContact N-O 3.41Å; S267-I269 PolarHBondContact O-N 2.9Å; S267-I269 VanDerWaalsContact O-N 3.14Å; S267-I269 WeakPolarHBondContact OG-CB 3.23Å; S267-I269 PolarHBondContact OG-N 2.97Å
270Y91.3Very high88.8Confident3 Ų327.8 Ų27.81%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-87.3119.9172.370.7-79.9000110.8E228 S231 Q235 F261 L262 T273 V278 Y283E228-Y270 HydrophobicContact CG-CE1 4.17Å; S231-Y270 WeakPolarHBondContact CB-O 3.29Å; S231-Y270 WeakPolarHBondContact OG-CD1 2.96Å; S231-Y270 WeakPolarHBondContact OG-CE1 3.49Å; S231-Y270 PolarHBondContact OG-N 3.03Å; Q235-Y270 PolarHBondContact NE2-O 2.89Å; F261-Y270 HydrophobicContact CD1-CD2 4.09Å; F261-Y270 HydrophobicContact CD1-CG 4.22Å; L262-Y270 CarbonylContact O-C 3.55Å; L262-Y270 WeakPolarHBondContact O-CA 3.4Å; Y270-T273 HydrophobicContact CD2-CG2 4.2Å; Y270-T273 HydrophobicContact CE2-CG2 3.83Å; Y270-V278 HydrophobicContact CE2-CG2 4.3Å; Y270-Y283 AromaticContact CD1-CD2 3.78Å; Y270-Y283 HydrophobicContact CD1-CD2 3.78Å; Y270-Y283 AromaticContact CD1-CE2 3.29Å; Y270-Y283 HydrophobicContact CD1-CE2 3.29Å; Y270-Y283 AromaticContact CE1-CD2 3.99Å; Y270-Y283 HydrophobicContact CE1-CD2 3.99Å; Y270-Y283 AromaticContact CE1-CE2 3.77Å; Y270-Y283 HydrophobicContact CE1-CE2 3.77Å; Y270-Y283 HydrophobicContact CG-CE2 4.28Å
271I89.3Confident88.5Confident0 Ų034.6 Ų34.60%020%0.199CC..EExtended strand (participates in β ladder)trans-75.9-37.3-177.5-81.6152.8000112.2F110 V111 Q235 I238 L241 L244 L262 D264 L336F110-I271 HydrophobicContact CB-CD1 4.27Å; F110-I271 HydrophobicContact CD1-CB 4.22Å; F110-I271 HydrophobicContact CD1-CD1 3.44Å; F110-I271 VanDerWaalsContact CD1-CD1 3.44Å; F110-I271 HydrophobicContact CD1-CG1 3.71Å; F110-I271 HydrophobicContact CD1-CG2 3.52Å; F110-I271 HydrophobicContact CE1-CB 4.2Å; F110-I271 HydrophobicContact CE1-CD1 4.24Å; F110-I271 HydrophobicContact CE1-CG1 4.09Å; F110-I271 HydrophobicContact CE1-CG2 3.1Å; F110-I271 HydrophobicContact CG-CD1 4.14Å; F110-I271 HydrophobicContact CZ-CG2 3.93Å; V111-I271 HydrophobicContact CG2-CD1 3.72Å; V111-I271 HydrophobicContact CG2-CG1 3.77Å; Q235-I271 WeakPolarHBondContact CG-O 3.28Å; I238-I271 HydrophobicContact CD1-CG2 4.04Å; L241-I271 WeakPolarHBondContact CD1-O 3.39Å; L244-I271 HydrophobicContact CD1-CG2 3.96Å; L262-I271 HydrophobicContact CD2-CG2 4.27Å; L262-I271 PolarHBondContact O-N 3.49Å; D264-I271 HydrophobicContact CB-CD1 4.2Å; I271-L336 HydrophobicContact CD1-CD1 4.3Å; I271-L336 HydrophobicContact CD1-CD2 3.16Å; I271-L336 HydrophobicContact CD1-CG 4.36Å
272A90.9Very high88.3Confident0 Ų036.3 Ų36.30%021%0.21CC..EExtended strand (participates in β ladder)trans-150.5148.1-179.800000108.7L241 L244 L248 L262L241-A272 HydrophobicContact CD1-CB 4.05Å; L244-A272 HydrophobicContact CB-CB 3.81Å; L244-A272 HydrophobicContact CD1-CB 4.28Å; L248-A272 HydrophobicContact CD1-CB 3.75Å; L262-A272 HydrophobicContact CB-CB 4.4Å; L262-A272 PolarHBondContact N-O 2.84Å
273T93.6Very high88.2Confident11 Ų1136.3 Ų36.37%0.06721%0.21CC..EExtended strand (participates in β ladder)trans-136.7170.5170.5-172.40000107.8K259 A260 F261 Y270 V278K259-T273 WeakPolarHBondContact CE-OG1 3.38Å; K259-T273 PolarHBondContact NZ-OG1 2.92Å; A260-T273 PolarHBondContact O-OG1 2.76Å; F261-T273 WeakPolarHBondContact CD1-OG1 3.45Å; F261-T273 WeakPolarHBondContact CE1-OG1 3.46Å; Y270-T273 HydrophobicContact CD2-CG2 4.2Å; Y270-T273 HydrophobicContact CE2-CG2 3.83Å; T273-V278 HydrophobicContact CG2-CG2 3.77Å
274D91.2Very high88.2Confident8 Ų840.1 Ų40.14%0.04323%0.228CC..  trans-75.8172.3174.166.9-70.3000112.5I252 K259 A260 T276I252-D274 HydrophobicContact CD1-CB 3.26Å; K259-D274 WeakPolarHBondContact CD-OD1 3.18Å; K259-D274 WeakPolarHBondContact CE-OD1 3.41Å; K259-D274 VanDerWaalsContact NZ-CG 3.33Å; K259-D274 IonicContact NZ-OD1 3.53Å; K259-D274 PolarHBondContact NZ-OD1 2.84Å; K259-D274 IonicContact NZ-OD2 2.79Å; K259-D274 PolarHBondContact NZ-OD2 3.05Å; A260-D274 PolarHBondContact N-OD1 2.95Å; D274-T276 PolarHBondContact O-N 2.89Å; D274-T276 VanDerWaalsContact O-N 3.15Å; D274-T276 VanDerWaalsContact OD2-CB 3.27Å; D274-T276 WeakPolarHBondContact OD2-CB 3.38Å; D274-T276 VanDerWaalsContact OD2-CG2 3.26Å; D274-T276 WeakPolarHBondContact OD2-CG2 3.49Å; D274-T276 PolarHBondContact OD2-N 2.95Å; D274-T276 VanDerWaalsContact OD2-N 3.14Å; D274-T276 PolarHBondContact OD2-OG1 3.4Å
275S87.5Confident88.5Confident97 Ų9742.8 Ų42.868%0.67824%0.241SC*.SBendtrans-66.4-13.1-175.455.10000115.4N249N249-S275 PolarHBondContact OD1-N 3.02Å; N249-S275 VanDerWaalsContact OD1-N 3.1Å; N249-S275 PolarHBondContact OD1-OG 2.79Å
276T87.3Confident88.9Confident58 Ų5842.3 Ų42.336%0.35624%0.238SC..SBendtrans-70.1145.6175.7660000110.7K259 D274 V278K259-T276 WeakPolarHBondContact CD-OG1 3.46Å; K259-T276 WeakPolarHBondContact CE-OG1 3.34Å; K259-T276 PolarHBondContact NZ-O 3.38Å; K259-T276 PolarHBondContact NZ-OG1 2.86Å; D274-T276 PolarHBondContact O-N 2.89Å; D274-T276 VanDerWaalsContact O-N 3.15Å; D274-T276 VanDerWaalsContact OD2-CB 3.27Å; D274-T276 WeakPolarHBondContact OD2-CB 3.38Å; D274-T276 VanDerWaalsContact OD2-CG2 3.26Å; D274-T276 WeakPolarHBondContact OD2-CG2 3.49Å; D274-T276 PolarHBondContact OD2-N 2.95Å; D274-T276 VanDerWaalsContact OD2-N 3.14Å; D274-T276 PolarHBondContact OD2-OG1 3.4Å; T276-V278 PolarHBondContact O-N 2.92Å
277P85.8Confident89.3Confident122 Ų12239.2 Ų39.279%0.79222%0.22SC*.PPolyproline II helixtrans-59.2141178.325.3-34000110.9
278V86.9Confident89.8Confident37 Ų3742.1 Ų42.122%0.22424%0.235CC..PPolyproline II helixtrans-79.1123.5176.5-179.80000108.6F261 Y270 T273 T276F261-V278 HydrophobicContact CE1-CB 4.47Å; F261-V278 HydrophobicContact CE1-CG1 3.82Å; F261-V278 HydrophobicContact CE1-CG2 3.9Å; F261-V278 HydrophobicContact CZ-CG1 4.03Å; F261-V278 HydrophobicContact CZ-CG2 4.5Å; Y270-V278 HydrophobicContact CE2-CG2 4.3Å; T273-V278 HydrophobicContact CG2-CG2 3.77Å; T276-V278 PolarHBondContact O-N 2.92Å
279D87.8Confident90.2Very high73 Ų7341 Ų4139%0.3923%0.23SC..PPolyproline II helixtrans-90.3136166.9168.443.1000109.8Q281 T282 Y283D279-Q281 VanDerWaalsContact C-N 3.33Å; D279-Q281 PolarHBondContact O-N 2.82Å; D279-Q281 PolarHBondContact OD1-N 3.41Å; D279-T282 WeakPolarHBondContact O-CB 2.86Å; D279-T282 PolarHBondContact O-N 2.5Å; D279-T282 PolarHBondContact OD2-N 2.73Å; D279-T282 PolarHBondContact OD2-OG1 3.15Å; D279-Y283 PolarHBondContact O-N 2.96Å; D279-Y283 VanDerWaalsContact O-N 3.07Å
280M87Confident90.4Very high50 Ų5041 Ų4125%0.24623%0.23CC..Hα-helixtrans-64.8-37.8-175-172.859.6-172.800111.9H224 S225 E228 T282 Y283 E284H224-M280 HydrophobicContact CB-CE 3.63Å; S225-M280 VanDerWaalsContact CA-CE 3.4Å; E228-M280 HydrophobicContact CB-SD 4.22Å; E228-M280 HydrophobicContact CG-SD 4.43Å; M280-T282 VanDerWaalsContact C-N 3.35Å; M280-Y283 HydrophobicContact CE-CD1 4.41Å; M280-Y283 WeakPolarHBondContact O-CB 3.49Å; M280-Y283 PolarHBondContact O-N 2.79Å; M280-Y283 HydrophobicContact SD-CD1 4.24Å; M280-E284 WeakPolarHBondContact O-CB 3.33Å; M280-E284 PolarHBondContact O-N 3.45Å
281Q89.4Confident90.4Very high144 Ų14442.7 Ų42.767%0.67324%0.239SC*.Hα-helixtrans-67.8-39.8179.4-57-177.9-20.100111.2D279 Y283 E284 L285D279-Q281 VanDerWaalsContact C-N 3.33Å; D279-Q281 PolarHBondContact O-N 2.82Å; D279-Q281 PolarHBondContact OD1-N 3.41Å; Q281-Y283 VanDerWaalsContact C-N 3.3Å; Q281-Y283 PolarHBondContact O-N 3.34Å; Q281-E284 PolarHBondContact O-N 3.12Å; Q281-L285 WeakPolarHBondContact O-CB 3.32Å; Q281-L285 PolarHBondContact O-N 3.22Å
282T91.3Very high90.6Very high35 Ų3546.2 Ų46.222%0.21526%0.26CS..Hα-helixtrans-62.1-40.9175.6-58.40000111K259 F261 D279 M280 C286 F341K259-T282 HydrophobicContact CG-CG2 4.41Å; F261-T282 HydrophobicContact CE2-CG2 3.88Å; F261-T282 HydrophobicContact CZ-CG2 4.29Å; D279-T282 WeakPolarHBondContact O-CB 2.86Å; D279-T282 PolarHBondContact O-N 2.5Å; D279-T282 PolarHBondContact OD2-N 2.73Å; D279-T282 PolarHBondContact OD2-OG1 3.15Å; M280-T282 VanDerWaalsContact C-N 3.35Å; T282-C286 PolarHBondContact O-N 2.58Å; T282-C286 PolarHBondContact O-SG 3.07Å; T282-F341 HydrophobicContact CG2-CD1 4.45Å; T282-F341 HydrophobicContact CG2-CD2 3.77Å; T282-F341 HydrophobicContact CG2-CE1 3.99Å; T282-F341 HydrophobicContact CG2-CE2 3.19Å; T282-F341 HydrophobicContact CG2-CG 4.36Å; T282-F341 HydrophobicContact CG2-CZ 3.34Å; T282-F341 WeakPolarHBondContact O-CZ 3.37Å
283Y91.4Very high90.7Very high0 Ų047 Ų470%027%0.265CS..Hα-helixtrans-65.9-47.7176.2175-104.9000112.8H224 F227 E228 F263 K268 Y270 D279 M280 Q281 L285 C286 C287H224-Y283 HydrophobicContact CB-CD1 4.28Å; H224-Y283 HydrophobicContact CB-CE1 4.08Å; F227-Y283 HydrophobicContact CB-CE1 4.07Å; F227-Y283 WeakPolarHBondContact CB-OH 3.19Å; E228-Y283 HydrophobicContact CB-CD1 4.35Å; E228-Y283 HydrophobicContact CB-CE1 4.19Å; F263-Y283 HydrophobicContact CE1-CD2 4.03Å; F263-Y283 AromaticContact CE1-CE2 3.39Å; F263-Y283 HydrophobicContact CE1-CE2 3.39Å; F263-Y283 AromaticContact CZ-CD2 3.74Å; F263-Y283 HydrophobicContact CZ-CD2 3.74Å; F263-Y283 AromaticContact CZ-CE2 3.61Å; F263-Y283 HydrophobicContact CZ-CE2 3.61Å; K268-Y283 PolarHBondContact O-OH 2.8Å; Y270-Y283 AromaticContact CD1-CD2 3.78Å; Y270-Y283 HydrophobicContact CD1-CD2 3.78Å; Y270-Y283 AromaticContact CD1-CE2 3.29Å; Y270-Y283 HydrophobicContact CD1-CE2 3.29Å; Y270-Y283 AromaticContact CE1-CD2 3.99Å; Y270-Y283 HydrophobicContact CE1-CD2 3.99Å; Y270-Y283 AromaticContact CE1-CE2 3.77Å; Y270-Y283 HydrophobicContact CE1-CE2 3.77Å; Y270-Y283 HydrophobicContact CG-CE2 4.28Å; D279-Y283 PolarHBondContact O-N 2.96Å; D279-Y283 VanDerWaalsContact O-N 3.07Å; M280-Y283 HydrophobicContact CE-CD1 4.41Å; M280-Y283 WeakPolarHBondContact O-CB 3.49Å; M280-Y283 PolarHBondContact O-N 2.79Å; M280-Y283 HydrophobicContact SD-CD1 4.24Å; Q281-Y283 VanDerWaalsContact C-N 3.3Å; Q281-Y283 PolarHBondContact O-N 3.34Å; Y283-L285 VanDerWaalsContact C-N 3.32Å; Y283-L285 PolarHBondContact O-N 3.46Å; Y283-C286 WeakPolarHBondContact O-CB 3.37Å; Y283-C286 PolarHBondContact O-N 3.2Å; Y283-C286 VanDerWaalsContact O-N 3.08Å; Y283-C287 VanDerWaalsContact CZ-SG 3.56Å; Y283-C287 PolarHBondContact O-N 3.31Å; Y283-C287 VanDerWaalsContact O-N 3.07Å
284E91.3Very high90.6Very high81 Ų8147.5 Ų47.538%0.37927%0.267SS..Hα-helixtrans-55.8-46.8177.1179.4169.4-158.100111.3H224 M280 Q281 C286 C287 D288H224-E284 IonicContact CD2-OE1 2.58Å; M280-E284 WeakPolarHBondContact O-CB 3.33Å; M280-E284 PolarHBondContact O-N 3.45Å; Q281-E284 PolarHBondContact O-N 3.12Å; E284-C286 VanDerWaalsContact C-N 3.28Å; E284-C286 PolarHBondContact O-N 3.37Å; E284-C287 WeakPolarHBondContact O-CB 3.32Å; E284-C287 PolarHBondContact O-N 3.04Å; E284-D288 PolarHBondContact O-N 3.1Å
285L93.1Very high90.6Very high63 Ų6351.7 Ų51.733%0.3329%0.29SS..Hα-helixtrans-62.8-32.1177.6-17463000113.2Q281 Y283 M289 L321 L327 F341Q281-L285 WeakPolarHBondContact O-CB 3.32Å; Q281-L285 PolarHBondContact O-N 3.22Å; Y283-L285 VanDerWaalsContact C-N 3.32Å; Y283-L285 PolarHBondContact O-N 3.46Å; L285-M289 WeakPolarHBondContact O-CB 2.93Å; L285-M289 PolarHBondContact O-N 3.33Å; L285-L321 HydrophobicContact CD2-CD1 4.05Å; L285-L327 HydrophobicContact CD2-CD1 4.19Å; L285-L327 HydrophobicContact CD2-CD2 3.85Å; L285-L327 HydrophobicContact CG-CD2 3.8Å; L285-F341 HydrophobicContact CD2-CE1 4.07Å; L285-F341 HydrophobicContact CD2-CZ 4.46Å
286C93.1Very high90.8Very high0 Ų051.4 Ų51.40%028%0.28CS..Hα-helixtrans-68.4-41.2172.2-74.40000112.7F263 T282 Y283 E284 D288 M289 I290 V339 F341F263-C286 HydrophobicContact CE2-CB 3.46Å; F263-C286 VanDerWaalsContact CE2-CB 3.46Å; F263-C286 HydrophobicContact CZ-CB 3.49Å; F263-C286 VanDerWaalsContact CZ-CB 3.49Å; T282-C286 PolarHBondContact O-N 2.58Å; T282-C286 PolarHBondContact O-SG 3.07Å; Y283-C286 WeakPolarHBondContact O-CB 3.37Å; Y283-C286 PolarHBondContact O-N 3.2Å; Y283-C286 VanDerWaalsContact O-N 3.08Å; E284-C286 VanDerWaalsContact C-N 3.28Å; E284-C286 PolarHBondContact O-N 3.37Å; C286-D288 VanDerWaalsContact C-N 3.35Å; C286-M289 PolarHBondContact O-N 3.42Å; C286-I290 WeakPolarHBondContact O-CG1 3.31Å; C286-I290 PolarHBondContact O-N 3.5Å; C286-V339 HydrophobicContact CB-CG1 4.19Å; C286-V339 WeakPolarHBondContact SG-CG1 3.42Å; C286-F341 WeakPolarHBondContact SG-CE2 3.09Å
287C91.1Very high90.9Very high0 Ų050 Ų500%027%0.272CS..Hα-helixtrans-60.6-47.2176.5-69.30000110.8K268 Y283 E284 M289 I290 D291K268-C287 HydrophobicContact CD-CB 4.36Å; Y283-C287 VanDerWaalsContact CZ-SG 3.56Å; Y283-C287 PolarHBondContact O-N 3.31Å; Y283-C287 VanDerWaalsContact O-N 3.07Å; E284-C287 WeakPolarHBondContact O-CB 3.32Å; E284-C287 PolarHBondContact O-N 3.04Å; C287-M289 VanDerWaalsContact C-N 3.31Å; C287-M289 PolarHBondContact O-N 3.33Å; C287-I290 PolarHBondContact O-N 2.99Å; C287-I290 VanDerWaalsContact O-N 3.16Å; C287-D291 PolarHBondContact O-N 3.43Å
288D92.1Very high91.1Very high71 Ų7146.9 Ų46.938%0.3825%0.252SS..Hα-helixtrans-63-38.9177.6-70.6-5.7000111.7H224 E284 C286 I290 D291 V292H224-D288 IonicContact CE1-OD1 3.6Å; H224-D288 IonicContact NE2-OD1 2.74Å; E284-D288 PolarHBondContact O-N 3.1Å; C286-D288 VanDerWaalsContact C-N 3.35Å; D288-I290 PolarHBondContact O-N 2.74Å; D288-D291 PolarHBondContact O-N 2.9Å; D288-V292 VanDerWaalsContact O-CG2 3.31Å; D288-V292 WeakPolarHBondContact O-CG2 3.31Å; D288-V292 PolarHBondContact O-N 3.08Å
289M94.4Very high91.2Very high5 Ų550.7 Ų50.73%0.02527%0.27CS..Hα-helixtrans-60.1-44.6173.8176.2179.1-169.100111.7L285 C286 C287 D291 V292 V293 A317 I319 L327 L329 V339L285-M289 WeakPolarHBondContact O-CB 2.93Å; L285-M289 PolarHBondContact O-N 3.33Å; C286-M289 PolarHBondContact O-N 3.42Å; C287-M289 VanDerWaalsContact C-N 3.31Å; C287-M289 PolarHBondContact O-N 3.33Å; M289-D291 VanDerWaalsContact C-N 3.33Å; M289-V292 PolarHBondContact O-N 3.02Å; M289-V293 HydrophobicContact CG-CG2 4.37Å; M289-V293 WeakPolarHBondContact O-CB 3.45Å; M289-V293 WeakPolarHBondContact O-CG2 3.4Å; M289-V293 PolarHBondContact O-N 2.92Å; M289-A317 HydrophobicContact CE-CB 4.02Å; M289-I319 HydrophobicContact CB-CD1 4.36Å; M289-I319 HydrophobicContact CE-CD1 4.23Å; M289-I319 HydrophobicContact CE-CG1 4.17Å; M289-I319 HydrophobicContact CG-CD1 3.78Å; M289-I319 HydrophobicContact SD-CD1 4.41Å; M289-L327 HydrophobicContact CE-CB 4.01Å; M289-L327 HydrophobicContact SD-CB 3.47Å; M289-L327 WeakPolarHBondContact SD-CB 3.45Å; M289-L327 HydrophobicContact SD-CD2 4.03Å; M289-L327 HydrophobicContact SD-CG 4.37Å; M289-L329 HydrophobicContact CE-CB 3.47Å; M289-L329 VanDerWaalsContact CE-CB 3.47Å; M289-L329 HydrophobicContact SD-CB 4.26Å; M289-V339 HydrophobicContact SD-CG1 3.86Å
290I92.6Very high91.2Very high3 Ų356.3 Ų56.32%0.01529%0.287CS..Hα-helixtrans-62.5-43.4178.3-68.5166.3000110.1F263 V265 C286 C287 D288 V293 I294 L329 V339F263-I290 HydrophobicContact CB-CD1 3.68Å; F263-I290 HydrophobicContact CD1-CD1 3.83Å; F263-I290 HydrophobicContact CD2-CD1 3.94Å; F263-I290 HydrophobicContact CE1-CD1 4.38Å; F263-I290 HydrophobicContact CE2-CD1 4.48Å; F263-I290 HydrophobicContact CG-CD1 3.57Å; V265-I290 HydrophobicContact CG1-CG2 4.2Å; C286-I290 WeakPolarHBondContact O-CG1 3.31Å; C286-I290 PolarHBondContact O-N 3.5Å; C287-I290 PolarHBondContact O-N 2.99Å; C287-I290 VanDerWaalsContact O-N 3.16Å; D288-I290 PolarHBondContact O-N 2.74Å; I290-V293 PolarHBondContact O-N 3.49Å; I290-I294 HydrophobicContact CG2-CG1 4.15Å; I290-I294 WeakPolarHBondContact O-CB 3.5Å; I290-I294 VanDerWaalsContact O-CG1 3.25Å; I290-I294 WeakPolarHBondContact O-CG1 3.34Å; I290-I294 PolarHBondContact O-N 3.31Å; I290-L329 HydrophobicContact CG1-CD1 3.95Å; I290-V339 HydrophobicContact CD1-CG2 4.22Å; I290-V339 HydrophobicContact CG1-CG2 4.24Å
291D91.3Very high91Very high39 Ų3956 Ų5621%0.20930%0.297CS..Hα-helixtrans-59.7-49.6176.6-72.8-32.4000111.6K268 C287 D288 M289 V293 I294 D295K268-D291 WeakPolarHBondContact CE-OD1 3.32Å; K268-D291 IonicContact NZ-OD1 3.83Å; K268-D291 PolarHBondContact NZ-OD1 3.38Å; K268-D291 IonicContact NZ-OD2 2.7Å; K268-D291 PolarHBondContact NZ-OD2 2.95Å; C287-D291 PolarHBondContact O-N 3.43Å; D288-D291 PolarHBondContact O-N 2.9Å; M289-D291 VanDerWaalsContact C-N 3.33Å; D291-V293 VanDerWaalsContact C-N 3.3Å; D291-V293 PolarHBondContact O-N 2.75Å; D291-I294 PolarHBondContact O-N 3.22Å; D291-D295 VanDerWaalsContact O-CB 3.27Å; D291-D295 WeakPolarHBondContact O-CB 3.42Å; D291-D295 PolarHBondContact O-N 3.39Å
292V93.7Very high90.6Very high73 Ų7352.9 Ų52.944%0.44229%0.285SS..Hα-helixtrans-58.1-43.9178.3171.10000111.4D288 M289 I296D288-V292 VanDerWaalsContact O-CG2 3.31Å; D288-V292 WeakPolarHBondContact O-CG2 3.31Å; D288-V292 PolarHBondContact O-N 3.08Å; M289-V292 PolarHBondContact O-N 3.02Å; V292-I296 HydrophobicContact CG1-CD1 3.7Å; V292-I296 HydrophobicContact CG1-CG1 4.5Å; V292-I296 WeakPolarHBondContact O-CB 3.37Å; V292-I296 WeakPolarHBondContact O-CD1 3.27Å; V292-I296 WeakPolarHBondContact O-CG1 3.42Å; V292-I296 PolarHBondContact O-N 2.88Å; V292-I296 VanDerWaalsContact O-N 3.07Å
293V92.9Very high90.1Very high18 Ų1858.7 Ų58.711%0.10931%0.307CS..Hα-helixtrans-65.1-46.9179.8171.40000110.8M289 I290 D291 S297 A317 L329M289-V293 HydrophobicContact CG-CG2 4.37Å; M289-V293 WeakPolarHBondContact O-CB 3.45Å; M289-V293 WeakPolarHBondContact O-CG2 3.4Å; M289-V293 PolarHBondContact O-N 2.92Å; I290-V293 PolarHBondContact O-N 3.49Å; D291-V293 VanDerWaalsContact C-N 3.3Å; D291-V293 PolarHBondContact O-N 2.75Å; V293-S297 WeakPolarHBondContact O-CB 3.32Å; V293-S297 PolarHBondContact O-N 3.22Å; V293-S297 PolarHBondContact O-OG 3.32Å; V293-A317 HydrophobicContact CB-CB 4.46Å; V293-A317 HydrophobicContact CG1-CB 4.26Å; V293-A317 HydrophobicContact CG2-CB 3.31Å; V293-L329 HydrophobicContact CG1-CD2 4.46Å; V293-L329 HydrophobicContact CG2-CD1 4.37Å
294I90.5Very high89.1Confident20 Ų2068.5 Ų68.510%0.10335%0.353CS..Hα-helixtrans-69.1-41.8-178.6-64.8-62.1000111.4V265 I290 D291 S297 C298 Y311V265-I294 HydrophobicContact CG1-CD1 3.57Å; V265-I294 HydrophobicContact CG1-CG1 3.81Å; I290-I294 HydrophobicContact CG2-CG1 4.15Å; I290-I294 WeakPolarHBondContact O-CB 3.5Å; I290-I294 VanDerWaalsContact O-CG1 3.25Å; I290-I294 WeakPolarHBondContact O-CG1 3.34Å; I290-I294 PolarHBondContact O-N 3.31Å; D291-I294 PolarHBondContact O-N 3.22Å; I294-S297 CarbonylContact O-C 3.59Å; I294-S297 PolarHBondContact O-N 3.22Å; I294-C298 WeakPolarHBondContact O-CB 3.18Å; I294-C298 PolarHBondContact O-N 2.86Å; I294-C298 PolarHBondContact O-SG 2.87Å; I294-Y311 HydrophobicContact CD1-CD2 3.9Å; I294-Y311 HydrophobicContact CD1-CG 4.34Å
295D91.8Very high88.3Confident97 Ų9771.7 Ų71.752%0.51937%0.373SS..Hα-helixtrans-65.4-42.1-180-71-15.2000111.5D291 C298 I299D291-D295 VanDerWaalsContact O-CB 3.27Å; D291-D295 WeakPolarHBondContact O-CB 3.42Å; D291-D295 PolarHBondContact O-N 3.39Å; D295-C298 PolarHBondContact O-N 3.07Å; D295-I299 WeakPolarHBondContact O-CG1 3.42Å; D295-I299 PolarHBondContact O-N 3.42Å
296I91.9Very high87.1Confident91 Ų9171.2 Ų71.247%0.46738%0.383SS..Hα-helixtrans-65.2-42.8174.7-68.5172.9000110.6V292 C298 I299 Y300V292-I296 HydrophobicContact CG1-CD1 3.7Å; V292-I296 HydrophobicContact CG1-CG1 4.5Å; V292-I296 WeakPolarHBondContact O-CB 3.37Å; V292-I296 WeakPolarHBondContact O-CD1 3.27Å; V292-I296 WeakPolarHBondContact O-CG1 3.42Å; V292-I296 PolarHBondContact O-N 2.88Å; V292-I296 VanDerWaalsContact O-N 3.07Å; I296-C298 VanDerWaalsContact C-N 3.32Å; I296-C298 PolarHBondContact O-N 3Å; I296-I299 PolarHBondContact O-N 3.21Å; I296-I299 VanDerWaalsContact O-N 3.15Å; I296-Y300 HydrophobicContact CG2-CD2 4.12Å; I296-Y300 PolarHBondContact O-N 2.96Å
297S90.5Very high85.6Confident29 Ų2974.7 Ų74.720%0.20341%0.412CS..Hα-helixtrans-66.5-31.4176.5-66.50000113V293 I294 I299 G301 P310V293-S297 WeakPolarHBondContact O-CB 3.32Å; V293-S297 PolarHBondContact O-N 3.22Å; V293-S297 PolarHBondContact O-OG 3.32Å; I294-S297 CarbonylContact O-C 3.59Å; I294-S297 PolarHBondContact O-N 3.22Å; S297-I299 VanDerWaalsContact C-N 3.27Å; S297-I299 PolarHBondContact O-N 3.14Å; S297-G301 WeakPolarHBondContact O-CA 3.4Å; S297-G301 PolarHBondContact O-N 3.46Å; S297-P310 WeakPolarHBondContact CB-O 3.49Å; S297-P310 PolarHBondContact OG-O 3.46Å
298C88.5Confident84.4Confident55 Ų5576.1 Ų76.137%0.37243%0.426SS..Hα-helixtrans-65.6-31.5172.3-74.10000112.1I294 D295 I296 L302 P310I294-C298 WeakPolarHBondContact O-CB 3.18Å; I294-C298 PolarHBondContact O-N 2.86Å; I294-C298 PolarHBondContact O-SG 2.87Å; D295-C298 PolarHBondContact O-N 3.07Å; I296-C298 VanDerWaalsContact C-N 3.32Å; I296-C298 PolarHBondContact O-N 3Å; C298-L302 WeakPolarHBondContact O-CD1 3.41Å; C298-P310 HydrophobicContact CB-CB 4.47Å; C298-P310 WeakPolarHBondContact SG-CB 3.13Å
299I89.4Confident83.6Confident117 Ų11777.4 Ų77.460%0.644%0.437SS*.Hα-helixtrans-81.4-46.2179.7-63.9165.2000111.2D295 I296 S297D295-I299 WeakPolarHBondContact O-CG1 3.42Å; D295-I299 PolarHBondContact O-N 3.42Å; I296-I299 PolarHBondContact O-N 3.21Å; I296-I299 VanDerWaalsContact O-N 3.15Å; S297-I299 VanDerWaalsContact C-N 3.27Å; S297-I299 PolarHBondContact O-N 3.14Å
300Y88.3Confident82.9Confident191 Ų19179.2 Ų79.275%0.74945%0.449SS*.Hα-helixtrans-113.1-15.3-169-65.3-72.1000115.2I296I296-Y300 HydrophobicContact CG2-CD2 4.12Å; I296-Y300 PolarHBondContact O-N 2.96Å
301G82.3Confident82.5Confident44 Ų4480.2 Ų80.245%0.45445%0.452SS..SBendtrans-88.4-2.6-176.100000114.4S297S297-G301 WeakPolarHBondContact O-CA 3.4Å; S297-G301 PolarHBondContact O-N 3.46Å
302L81.8Confident82.2Confident79 Ų7982.1 Ų82.141%0.41446%0.463SS..SBendtrans-78.6132.8176-60.6177.8000110C298 G308C298-L302 WeakPolarHBondContact O-CD1 3.41Å; L302-G308 WeakPolarHBondContact CD2-O 3.01Å
303K79.4Confident81.9Confident157 Ų15785.9 Ų85.968%0.68347%0.473SS*.  trans-63.5158.3169.9-64-175.3179-177.80109.8D305 G306K303-D305 PolarHBondContact O-N 3.06Å; K303-G306 PolarHBondContact O-N 2.85Å
304E71.7Confident81.6Confident205 Ų20592.8 Ų92.896%0.95850%0.504SS*.THydrogen-bonded Turntrans-53.3-25.3-175.2-65.8-171.6158.400113.9G306E304-G306 VanDerWaalsContact C-N 3.32Å; E304-G306 PolarHBondContact O-N 3.03Å
305D74.2Confident81.6Confident149 Ų14992.5 Ų92.580%0.79750%0.504SS*.THydrogen-bonded Turntrans-83.92.5177.9-58-35.6000114.4K303 A307K303-D305 PolarHBondContact O-N 3.06Å; D305-A307 HydrophobicContact CB-CB 4.45Å; D305-A307 PolarHBondContact O-N 3.38Å; D305-A307 VanDerWaalsContact O-N 3.12Å
306G66.8Low81.7Confident53 Ų5391.5 Ų91.555%0.54650%0.502SS..SBendtrans69.70.1-171.800000114.2K303 E304 G308K303-G306 PolarHBondContact O-N 2.85Å; E304-G306 VanDerWaalsContact C-N 3.32Å; E304-G306 PolarHBondContact O-N 3.03Å; G306-G308 PolarHBondContact O-N 3.1Å
307A62.5Low81.9Confident73 Ų7388 Ų8860%0.60349%0.486SS*.  trans-9082.9177.200000110.4D305D305-A307 HydrophobicContact CB-CB 4.45Å; D305-A307 PolarHBondContact O-N 3.38Å; D305-A307 VanDerWaalsContact O-N 3.12Å
308G65.3Low82.1Confident29 Ų2990.2 Ų90.230%0.29950%0.495SS..  trans-153.1144.5173.600000111L302 G306L302-G308 WeakPolarHBondContact CD2-O 3.01Å; G306-G308 PolarHBondContact O-N 3.1Å
309T76.4Confident82.5Confident99 Ų9990.3 Ų90.361%0.60749%0.491SS*.  trans-88.7133.516750.70000108.4Y311T309-Y311 PolarHBondContact O-N 2.92Å; T309-Y311 PolarHBondContact OG1-O 3.35Å; T309-Y311 VanDerWaalsContact OG1-O 3.04Å
310P79.2Confident82.8Confident43 Ų4390.4 Ų90.428%0.27949%0.487SS..SBendtrans-66.6-7.5179.728.1-36000113.4S297 C298S297-P310 WeakPolarHBondContact CB-O 3.49Å; S297-P310 PolarHBondContact OG-O 3.46Å; C298-P310 HydrophobicContact CB-CB 4.47Å; C298-P310 WeakPolarHBondContact SG-CB 3.13Å
311Y83.8Confident83Confident23 Ų2383.9 Ų83.99%0.0947%0.465CS..SBendtrans-132123.6177-170.2-102000109.1V265 I294 T309 E331 T333 K334 L336 A337V265-Y311 HydrophobicContact CG1-CD2 4.48Å; V265-Y311 HydrophobicContact CG2-CD2 4.37Å; V265-Y311 HydrophobicContact CG2-CE1 4.08Å; V265-Y311 HydrophobicContact CG2-CE2 3.91Å; I294-Y311 HydrophobicContact CD1-CD2 3.9Å; I294-Y311 HydrophobicContact CD1-CG 4.34Å; T309-Y311 PolarHBondContact O-N 2.92Å; T309-Y311 PolarHBondContact OG1-O 3.35Å; T309-Y311 VanDerWaalsContact OG1-O 3.04Å; Y311-E331 HydrophobicContact CD1-CG 4.46Å; Y311-E331 HydrophobicContact CE1-CB 4.26Å; Y311-E331 HydrophobicContact CE1-CG 3.51Å; Y311-E331 HydrophobicContact CE2-CB 4.35Å; Y311-E331 HydrophobicContact CE2-CG 4.47Å; Y311-E331 VanDerWaalsContact OH-CA 3.25Å; Y311-E331 WeakPolarHBondContact OH-CA 3.37Å; Y311-E331 WeakPolarHBondContact OH-CB 3.41Å; Y311-E331 WeakPolarHBondContact OH-CG 3.44Å; Y311-T333 WeakPolarHBondContact CE1-O 3.41Å; Y311-K334 VanDerWaalsContact CD1-O 3.26Å; Y311-K334 WeakPolarHBondContact CD1-O 3.47Å; Y311-L336 VanDerWaalsContact OH-C 3.31Å; Y311-L336 PolarHBondContact OH-O 3.32Å; Y311-A337 HydrophobicContact CE2-CB 4.41Å; Y311-A337 VanDerWaalsContact OH-CA 3.3Å; Y311-A337 WeakPolarHBondContact OH-CA 3.36Å; Y311-A337 VanDerWaalsContact OH-CB 3.3Å; Y311-A337 WeakPolarHBondContact OH-CB 3.29Å; Y311-A337 PolarHBondContact OH-N 3.14Å
312D85.7Confident83.5Confident79 Ų7989.6 Ų89.642%0.42249%0.485SS..  trans-136.7179.9-173.7697.4000111.6E314 S315 E331D312-E314 PolarHBondContact O-N 2.83Å; D312-E314 PolarHBondContact OD1-N 3.41Å; D312-E314 VanDerWaalsContact OD1-N 3.14Å; D312-S315 PolarHBondContact N-OG 2.89Å; D312-S315 WeakPolarHBondContact O-CB 3.32Å; D312-S315 PolarHBondContact O-N 3.37Å; D312-S315 PolarHBondContact O-OG 2.83Å; D312-S315 PolarHBondContact OD1-N 2.81Å; D312-S315 PolarHBondContact OD1-OG 3.43Å; D312-E331 WeakPolarHBondContact O-CB 3.24Å; D312-E331 WeakPolarHBondContact O-CG 3.44Å
313K86.3Confident84Confident152 Ų15289.8 Ų89.866%0.66149%0.487SS*.THydrogen-bonded Turntrans-68.2-14-176.3-66-178.9-176.3173.70114
314E87.6Confident84.6Confident164 Ų16485.8 Ų85.877%0.76648%0.475SS*.THydrogen-bonded Turntrans-108.71.9-177.6-62.6-172.2177.500112.2D312 T316D312-E314 PolarHBondContact O-N 2.83Å; D312-E314 PolarHBondContact OD1-N 3.41Å; D312-E314 VanDerWaalsContact OD1-N 3.14Å; E314-T316 PolarHBondContact O-N 3.05Å; E314-T316 VanDerWaalsContact O-N 3.09Å
315S90.8Very high85.6Confident13 Ų1376.5 Ų76.59%0.09143%0.433CS..  trans-60.2114.2180-71.10000110.7D312 E331D312-S315 PolarHBondContact N-OG 2.89Å; D312-S315 WeakPolarHBondContact O-CB 3.32Å; D312-S315 PolarHBondContact O-N 3.37Å; D312-S315 PolarHBondContact O-OG 2.83Å; D312-S315 PolarHBondContact OD1-N 2.81Å; D312-S315 PolarHBondContact OD1-OG 3.43Å; S315-E331 PolarHBondContact O-N 3.21Å
316T94Very high86.6Confident77 Ų7769.4 Ų69.447%0.47240%0.395SS..EExtended strand (participates in β ladder)trans-142.7147.4176.764.10000110E314 L329 K330E314-T316 PolarHBondContact O-N 3.05Å; E314-T316 VanDerWaalsContact O-N 3.09Å; T316-L329 CarbonylContact C-O 3.58Å; T316-L329 VanDerWaalsContact CA-O 3.25Å; T316-L329 WeakPolarHBondContact CA-O 3.41Å; T316-K330 HydrophobicContact CG2-CB 4.3Å; T316-K330 HydrophobicContact CG2-CD 4.45Å; T316-K330 HydrophobicContact CG2-CG 3.94Å
317A95.3Very high87.9Confident18 Ų1867 Ų6715%0.14937%0.369CS..EExtended strand (participates in β ladder)trans-144.9145.7175.900000111.3M289 V293 Y328 L329M289-A317 HydrophobicContact CE-CB 4.02Å; V293-A317 HydrophobicContact CB-CB 4.46Å; V293-A317 HydrophobicContact CG1-CB 4.26Å; V293-A317 HydrophobicContact CG2-CB 3.31Å; A317-Y328 WeakPolarHBondContact O-CD2 3.42Å; A317-L329 HydrophobicContact CB-CB 4.24Å; A317-L329 PolarHBondContact N-O 3.28Å; A317-L329 PolarHBondContact O-N 3.3Å
318I95.8Very high89.5Confident74 Ų7463.8 Ų63.838%0.37934%0.342SS..EExtended strand (participates in β ladder)trans-131.5119.7179.7-57.6160.1000107.4V326 L327 Y328 F347I318-V326 HydrophobicContact CG2-CG1 3.61Å; I318-L327 WeakPolarHBondContact CA-O 3.39Å; I318-Y328 HydrophobicContact CD1-CE2 4.28Å; I318-Y328 HydrophobicContact CG1-CD2 3.58Å; I318-Y328 HydrophobicContact CG1-CE2 3.73Å; I318-F347 HydrophobicContact CD1-CE1 4.37Å; I318-F347 HydrophobicContact CD1-CZ 3.86Å; I318-F347 HydrophobicContact CG1-CZ 4.04Å; I318-F347 HydrophobicContact CG2-CE1 4.14Å; I318-F347 HydrophobicContact CG2-CZ 3.96Å
319I95.9Very high91Very high58 Ų5862.6 Ų62.630%0.29733%0.328SS..EExtended strand (participates in β ladder)trans-119.1118.1175.4-59.6178.6000107.8M289 L321 V326 L327M289-I319 HydrophobicContact CB-CD1 4.36Å; M289-I319 HydrophobicContact CE-CD1 4.23Å; M289-I319 HydrophobicContact CE-CG1 4.17Å; M289-I319 HydrophobicContact CG-CD1 3.78Å; M289-I319 HydrophobicContact SD-CD1 4.41Å; I319-L321 HydrophobicContact CG2-CD2 4.31Å; I319-V326 CarbonylContact O-C 3.58Å; I319-V326 WeakPolarHBondContact O-CA 3.37Å; I319-L327 HydrophobicContact CB-CB 4.37Å; I319-L327 HydrophobicContact CB-CD1 4.21Å; I319-L327 HydrophobicContact CG2-CD1 4.21Å; I319-L327 PolarHBondContact N-O 3.37Å; I319-L327 PolarHBondContact O-N 2.76Å
320K94.9Very high91.9Very high119 Ų11959.3 Ų59.352%0.51731%0.306SS..EExtended strand (participates in β ladder)trans-95.9124175.6-64.3-167.4169.2-162.80109.9V326 E344K320-V326 HydrophobicContact CG-CG1 4.21Å; K320-V326 HydrophobicContact CG-CG2 4.04Å; K320-E344 IonicContact NZ-OE1 3.02Å; K320-E344 PolarHBondContact NZ-OE1 3.22Å
321L93.7Very high92.6Very high53 Ų5357.7 Ų57.728%0.27730%0.295SS..  trans-88.5161.8173.6-58.1-175000111L285 I319 N323 T325 L327L285-L321 HydrophobicContact CD2-CD1 4.05Å; I319-L321 HydrophobicContact CG2-CD2 4.31Å; L321-N323 WeakPolarHBondContact CB-OD1 3.42Å; L321-N323 PolarHBondContact O-N 3.02Å; L321-T325 WeakPolarHBondContact CB-O 3.38Å; L321-T325 HydrophobicContact CD1-CG2 4.5Å; L321-T325 PolarHBondContact N-O 3.12Å; L321-L327 HydrophobicContact CD1-CD1 3.91Å; L321-L327 HydrophobicContact CD2-CD1 3.91Å; L321-L327 HydrophobicContact CG-CD1 3.71Å
322N93.1Very high92.9Very high165 Ų16556.6 Ų56.688%0.88229%0.29SS*.THydrogen-bonded Turntrans-70.3-10.4179.265.4-7.2000114.3
323N91.4Very high92.9Very high83 Ų8353.8 Ų53.844%0.44428%0.276SS..THydrogen-bonded Turntrans-101.726.1-176.166-7.2000112.7L321 T325L321-N323 WeakPolarHBondContact CB-OD1 3.42Å; L321-N323 PolarHBondContact O-N 3.02Å; N323-T325 PolarHBondContact O-N 3.05Å; N323-T325 VanDerWaalsContact OD1-CB 3.3Å; N323-T325 WeakPolarHBondContact OD1-CB 3.36Å; N323-T325 PolarHBondContact OD1-N 3.31Å; N323-T325 PolarHBondContact OD1-OG1 3.45Å
324T91.5Very high92.7Very high72 Ų7253.7 Ų53.744%0.44228%0.275SS..SBendtrans64.914.3-178.169.90000115.1E344T324-E344 WeakPolarHBondContact O-CB 3.46Å; T324-E344 PolarHBondContact O-N 3.37Å
325T93.1Very high92.4Very high11 Ų1148.7 Ų48.77%0.06725%0.251CS..EExtended strand (participates in β ladder)trans-97137174.4-58.50000110.4L321 N323 F341L321-T325 WeakPolarHBondContact CB-O 3.38Å; L321-T325 HydrophobicContact CD1-CG2 4.5Å; L321-T325 PolarHBondContact N-O 3.12Å; N323-T325 PolarHBondContact O-N 3.05Å; N323-T325 VanDerWaalsContact OD1-CB 3.3Å; N323-T325 WeakPolarHBondContact OD1-CB 3.36Å; N323-T325 PolarHBondContact OD1-N 3.31Å; N323-T325 PolarHBondContact OD1-OG1 3.45Å; T325-F341 HydrophobicContact CG2-CD1 3.88Å
326V94.8Very high92.3Very high0 Ų048.1 Ų48.10%025%0.247CC..EExtended strand (participates in β ladder)trans-118.5120.3177.5-174.50000108.3I318 I319 K320 V342 E344 F347I318-V326 HydrophobicContact CG2-CG1 3.61Å; I319-V326 CarbonylContact O-C 3.58Å; I319-V326 WeakPolarHBondContact O-CA 3.37Å; K320-V326 HydrophobicContact CG-CG1 4.21Å; K320-V326 HydrophobicContact CG-CG2 4.04Å; V326-V342 WeakPolarHBondContact CA-O 3.47Å; V326-V342 WeakPolarHBondContact CB-O 3.39Å; V326-V342 PolarHBondContact N-O 3.3Å; V326-V342 PolarHBondContact O-N 3.09Å; V326-E344 HydrophobicContact CG2-CB 4.16Å; V326-F347 HydrophobicContact CB-CG 4.49Å; V326-F347 HydrophobicContact CG1-CD1 4.33Å; V326-F347 HydrophobicContact CG1-CD2 4.18Å; V326-F347 HydrophobicContact CG1-CE1 4.41Å; V326-F347 HydrophobicContact CG1-CE2 4.28Å; V326-F347 HydrophobicContact CG1-CG 4.21Å; V326-F347 HydrophobicContact CG1-CZ 4.38Å; V326-F347 HydrophobicContact CG2-CB 4.39Å; V326-F347 HydrophobicContact CG2-CG 4.5Å
327L95.8Very high92.2Very high2 Ų244.4 Ų44.41%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-85.3132.2167.2-57.6101.3000109.2L285 M289 I318 I319 L321 C340 F341L285-L327 HydrophobicContact CD2-CD1 4.19Å; L285-L327 HydrophobicContact CD2-CD2 3.85Å; L285-L327 HydrophobicContact CG-CD2 3.8Å; M289-L327 HydrophobicContact CE-CB 4.01Å; M289-L327 HydrophobicContact SD-CB 3.47Å; M289-L327 WeakPolarHBondContact SD-CB 3.45Å; M289-L327 HydrophobicContact SD-CD2 4.03Å; M289-L327 HydrophobicContact SD-CG 4.37Å; I318-L327 WeakPolarHBondContact CA-O 3.39Å; I319-L327 HydrophobicContact CB-CB 4.37Å; I319-L327 HydrophobicContact CB-CD1 4.21Å; I319-L327 HydrophobicContact CG2-CD1 4.21Å; I319-L327 PolarHBondContact N-O 3.37Å; I319-L327 PolarHBondContact O-N 2.76Å; L321-L327 HydrophobicContact CD1-CD1 3.91Å; L321-L327 HydrophobicContact CD2-CD1 3.91Å; L321-L327 HydrophobicContact CG-CD1 3.71Å; L327-C340 CarbonylContact C-O 3.59Å; L327-C340 WeakPolarHBondContact CA-O 3.49Å; L327-F341 HydrophobicContact CD2-CD1 4.33Å; L327-F341 HydrophobicContact CD2-CE1 3.55Å; L327-F341 HydrophobicContact CD2-CE2 4.48Å; L327-F341 HydrophobicContact CD2-CZ 3.63Å; L327-F341 HydrophobicContact CG-CD1 4.29Å; L327-F341 HydrophobicContact CG-CE1 3.93Å; L327-F341 HydrophobicContact CG-CZ 4.43Å
328Y95.7Very high92.2Very high6 Ų643.7 Ų43.72%0.02422%0.218CC..EExtended strand (participates in β ladder)trans-129.6116.5-177.4-173.6-139000111.4A317 I318 K330 V339 C340 F347 I353 D354A317-Y328 WeakPolarHBondContact O-CD2 3.42Å; I318-Y328 HydrophobicContact CD1-CE2 4.28Å; I318-Y328 HydrophobicContact CG1-CD2 3.58Å; I318-Y328 HydrophobicContact CG1-CE2 3.73Å; Y328-K330 HydrophobicContact CD1-CG 4.4Å; Y328-K330 HydrophobicContact CE1-CD 3.61Å; Y328-K330 HydrophobicContact CE1-CG 3.71Å; Y328-K330 HydrophobicContact CE2-CD 4.35Å; Y328-K330 HydrophobicContact CE2-CG 3.88Å; Y328-K330 VanDerWaalsContact CZ-CD 3.42Å; Y328-K330 VanDerWaalsContact CZ-CG 3.41Å; Y328-K330 WeakPolarHBondContact OH-CD 3.33Å; Y328-K330 WeakPolarHBondContact OH-CE 3.37Å; Y328-K330 WeakPolarHBondContact OH-CG 3.34Å; Y328-K330 PolarHBondContact OH-NZ 2.93Å; Y328-V339 CarbonylContact O-C 3.52Å; Y328-V339 WeakPolarHBondContact O-CA 3.45Å; Y328-C340 PolarHBondContact N-O 3.14Å; Y328-C340 PolarHBondContact O-N 3.14Å; Y328-F347 HydrophobicContact CD1-CE2 4.24Å; Y328-F347 HydrophobicContact CD2-CE2 4.22Å; Y328-F347 HydrophobicContact CD2-CZ 4.47Å; Y328-F347 HydrophobicContact CG-CE2 4.02Å; Y328-I353 HydrophobicContact CD1-CG2 4.47Å; Y328-I353 HydrophobicContact CE1-CG2 4.26Å; Y328-D354 PolarHBondContact OH-OD1 2.89Å
329L96.1Very high92.2Very high3 Ų340.2 Ų40.22%0.01620%0.2CC..EExtended strand (participates in β ladder)trans-108.1134.1177.6-177.8155.4000109.9M289 I290 V293 T316 A317 A337 L338 V339M289-L329 HydrophobicContact CE-CB 3.47Å; M289-L329 VanDerWaalsContact CE-CB 3.47Å; M289-L329 HydrophobicContact SD-CB 4.26Å; I290-L329 HydrophobicContact CG1-CD1 3.95Å; V293-L329 HydrophobicContact CG1-CD2 4.46Å; V293-L329 HydrophobicContact CG2-CD1 4.37Å; T316-L329 CarbonylContact C-O 3.58Å; T316-L329 VanDerWaalsContact CA-O 3.25Å; T316-L329 WeakPolarHBondContact CA-O 3.41Å; A317-L329 HydrophobicContact CB-CB 4.24Å; A317-L329 PolarHBondContact N-O 3.28Å; A317-L329 PolarHBondContact O-N 3.3Å; L329-A337 HydrophobicContact CG-CB 4.38Å; L329-L338 CarbonylContact C-O 3.59Å; L329-L338 VanDerWaalsContact CA-O 3.29Å; L329-L338 WeakPolarHBondContact CA-O 3.26Å; L329-V339 HydrophobicContact CB-CG2 4.42Å; L329-V339 HydrophobicContact CD1-CG2 3.98Å; L329-V339 HydrophobicContact CG-CG2 4.16Å
330K94.7Very high92.2Very high31 Ų3137.5 Ų37.514%0.13519%0.187CC..EExtended strand (participates in β ladder)trans-139.4146.8168.7-61.5-164.597.3161.40112.3T316 Y328 L338 D354 F357T316-K330 HydrophobicContact CG2-CB 4.3Å; T316-K330 HydrophobicContact CG2-CD 4.45Å; T316-K330 HydrophobicContact CG2-CG 3.94Å; Y328-K330 HydrophobicContact CD1-CG 4.4Å; Y328-K330 HydrophobicContact CE1-CD 3.61Å; Y328-K330 HydrophobicContact CE1-CG 3.71Å; Y328-K330 HydrophobicContact CE2-CD 4.35Å; Y328-K330 HydrophobicContact CE2-CG 3.88Å; Y328-K330 VanDerWaalsContact CZ-CD 3.42Å; Y328-K330 VanDerWaalsContact CZ-CG 3.41Å; Y328-K330 WeakPolarHBondContact OH-CD 3.33Å; Y328-K330 WeakPolarHBondContact OH-CE 3.37Å; Y328-K330 WeakPolarHBondContact OH-CG 3.34Å; Y328-K330 PolarHBondContact OH-NZ 2.93Å; K330-L338 PolarHBondContact N-O 3.41Å; K330-L338 PolarHBondContact O-N 3.05Å; K330-D354 IonicContact NZ-OD1 3.47Å; K330-D354 PolarHBondContact NZ-OD1 3.21Å; K330-F357 HydrophobicContact CB-CD1 4.49Å; K330-F357 HydrophobicContact CB-CD2 4.47Å; K330-F357 HydrophobicContact CB-CE1 3.81Å; K330-F357 HydrophobicContact CB-CE2 3.8Å; K330-F357 HydrophobicContact CB-CZ 3.41Å; K330-F357 VanDerWaalsContact CB-CZ 3.41Å; K330-F357 HydrophobicContact CD-CB 4.5Å; K330-F357 HydrophobicContact CD-CD1 3.56Å; K330-F357 HydrophobicContact CD-CD2 4.12Å; K330-F357 HydrophobicContact CD-CE1 3.69Å; K330-F357 HydrophobicContact CD-CE2 4.24Å; K330-F357 HydrophobicContact CD-CG 3.77Å; K330-F357 HydrophobicContact CD-CZ 4.03Å; K330-F357 HydrophobicContact CG-CE1 4.41Å; K330-F357 HydrophobicContact CG-CZ 4.34Å
331E93.8Very high92.2Very high9 Ų932.5 Ų32.54%0.04217%0.165CC..EExtended strand (participates in β ladder)trans-68.1132.8171.4-173.5-93.5-174.200113Y311 D312 S315 T333 K334 F357 R361Y311-E331 HydrophobicContact CD1-CG 4.46Å; Y311-E331 HydrophobicContact CE1-CB 4.26Å; Y311-E331 HydrophobicContact CE1-CG 3.51Å; Y311-E331 HydrophobicContact CE2-CB 4.35Å; Y311-E331 HydrophobicContact CE2-CG 4.47Å; Y311-E331 VanDerWaalsContact OH-CA 3.25Å; Y311-E331 WeakPolarHBondContact OH-CA 3.37Å; Y311-E331 WeakPolarHBondContact OH-CB 3.41Å; Y311-E331 WeakPolarHBondContact OH-CG 3.44Å; D312-E331 WeakPolarHBondContact O-CB 3.24Å; D312-E331 WeakPolarHBondContact O-CG 3.44Å; S315-E331 PolarHBondContact O-N 3.21Å; E331-T333 WeakPolarHBondContact CG-O 3.35Å; E331-T333 WeakPolarHBondContact OE1-CA 3.15Å; E331-T333 PolarHBondContact OE1-N 3.02Å; E331-K334 PolarHBondContact OE1-N 3.14Å; E331-F357 WeakPolarHBondContact O-CZ 3.35Å; E331-R361 IonicContact OE1-NH2 3.39Å; E331-R361 IonicContact OE2-CZ 3.55Å; E331-R361 IonicContact OE2-NE 3.18Å; E331-R361 PolarHBondContact OE2-NE 2.82Å; E331-R361 IonicContact OE2-NH2 3.47Å; E331-R361 PolarHBondContact OE2-NH2 3.32Å
332V90.9Very high92.2Very high0 Ų030 Ų300%015%0.151CC..EExtended strand (participates in β ladder)trans-105.3-50.3172.5-177.60000110.2L262 L336 L338 F357 F360 R361 I364 H365L262-V332 HydrophobicContact CD1-CB 4.32Å; L262-V332 HydrophobicContact CD1-CG1 4.48Å; L262-V332 HydrophobicContact CD1-CG2 3.89Å; V332-L336 HydrophobicContact CB-CB 4.33Å; V332-L336 PolarHBondContact N-O 3.32Å; V332-L338 HydrophobicContact CG2-CB 3.69Å; V332-F357 HydrophobicContact CG2-CE2 4.03Å; V332-F357 HydrophobicContact CG2-CZ 3.97Å; V332-F360 HydrophobicContact CG2-CE1 4.37Å; V332-R361 HydrophobicContact CG1-CG 4.39Å; V332-R361 PolarHBondContact O-NE 3.29Å; V332-I364 HydrophobicContact CG1-CB 4.15Å; V332-I364 HydrophobicContact CG1-CG1 4.46Å; V332-I364 HydrophobicContact CG1-CG2 3.69Å; V332-H365 PolarHBondContact O-NE2 3.11Å
333T86.8Confident92.2Very high19 Ų1926.7 Ų26.712%0.11713%0.127CC..EExtended strand (participates in β ladder)trans-142.1171.6172.162.80000109.7Y311 E331 F335 L336 F368Y311-T333 WeakPolarHBondContact CE1-O 3.41Å; E331-T333 WeakPolarHBondContact CG-O 3.35Å; E331-T333 WeakPolarHBondContact OE1-CA 3.15Å; E331-T333 PolarHBondContact OE1-N 3.02Å; T333-F335 PolarHBondContact O-N 2.92Å; T333-L336 PolarHBondContact N-O 3.36Å; T333-L336 VanDerWaalsContact N-O 3.15Å; T333-L336 PolarHBondContact O-N 3.27Å; T333-L336 VanDerWaalsContact OG1-CB 3.26Å; T333-L336 WeakPolarHBondContact OG1-CB 3.24Å; T333-L336 VanDerWaalsContact OG1-CG 3.28Å; T333-L336 WeakPolarHBondContact OG1-CG 3.43Å; T333-L336 PolarHBondContact OG1-N 2.69Å; T333-F368 HydrophobicContact CG2-CD2 4.05Å; T333-F368 HydrophobicContact CG2-CE2 3.64Å
334K82Confident92.3Very high150 Ų15026.1 Ų26.165%0.65212%0.122SC*.THydrogen-bonded Turntrans-45-27.2179.1-65.9-173.1178.3-174.10115.7Y311 E331Y311-K334 VanDerWaalsContact CD1-O 3.26Å; Y311-K334 WeakPolarHBondContact CD1-O 3.47Å; E331-K334 PolarHBondContact OE1-N 3.14Å
335F79.9Confident92.2Very high60 Ų6030.5 Ų30.526%0.26314%0.137SC..THydrogen-bonded Turntrans-120.4-12.4-178.9-50.8-66.2000113.2N107 S108 S109 D264 V265 T333N107-F335 WeakPolarHBondContact O-CD1 3.07Å; N107-F335 WeakPolarHBondContact O-CE1 3.25Å; N107-F335 VanDerWaalsContact O-CG 3.29Å; N107-F335 WeakPolarHBondContact O-CG 3.5Å; N107-F335 VanDerWaalsContact O-CZ 3.23Å; N107-F335 WeakPolarHBondContact O-CZ 3.48Å; S108-F335 WeakPolarHBondContact OG-CB 3.18Å; S109-F335 WeakPolarHBondContact OG-CE2 3.22Å; D264-F335 WeakPolarHBondContact CA-O 3.11Å; V265-F335 PolarHBondContact N-O 2.87Å; T333-F335 PolarHBondContact O-N 2.92Å
336L88.9Confident92Very high0 Ų031.1 Ų31.10%014%0.142CC..EExtended strand (participates in β ladder)trans-108.9128.4-176.1-55.4-174.2000111.9F110 L262 F263 D264 I271 Y311 V332 T333 F368F110-L336 HydrophobicContact CB-CD1 4.07Å; F110-L336 HydrophobicContact CB-CD2 4.37Å; F110-L336 HydrophobicContact CG-CD1 4.19Å; L262-L336 HydrophobicContact CD1-CB 4.22Å; L262-L336 HydrophobicContact CD2-CD1 4.3Å; L262-L336 HydrophobicContact CG-CD1 4.48Å; F263-L336 CarbonylContact O-C 3.59Å; F263-L336 VanDerWaalsContact O-CA 3.23Å; F263-L336 WeakPolarHBondContact O-CA 3.49Å; D264-L336 HydrophobicContact CB-CD2 4.27Å; I271-L336 HydrophobicContact CD1-CD1 4.3Å; I271-L336 HydrophobicContact CD1-CD2 3.16Å; I271-L336 HydrophobicContact CD1-CG 4.36Å; Y311-L336 VanDerWaalsContact OH-C 3.31Å; Y311-L336 PolarHBondContact OH-O 3.32Å; V332-L336 HydrophobicContact CB-CB 4.33Å; V332-L336 PolarHBondContact N-O 3.32Å; T333-L336 PolarHBondContact N-O 3.36Å; T333-L336 VanDerWaalsContact N-O 3.15Å; T333-L336 PolarHBondContact O-N 3.27Å; T333-L336 VanDerWaalsContact OG1-CB 3.26Å; T333-L336 WeakPolarHBondContact OG1-CB 3.24Å; T333-L336 VanDerWaalsContact OG1-CG 3.28Å; T333-L336 WeakPolarHBondContact OG1-CG 3.43Å; T333-L336 PolarHBondContact OG1-N 2.69Å; L336-F368 HydrophobicContact CD1-CE2 3.93Å; L336-F368 HydrophobicContact CD1-CZ 3.54Å
337A92.6Very high91.7Very high0 Ų032 Ų320%015%0.146CC..EExtended strand (participates in β ladder)trans-114.2139.9172.300000110L262 F263 V265 Y311 L329L262-A337 CarbonylContact C-O 3.59Å; F263-A337 PolarHBondContact N-O 3.36Å; F263-A337 PolarHBondContact O-N 3.46Å; V265-A337 HydrophobicContact CG2-CB 3.65Å; Y311-A337 HydrophobicContact CE2-CB 4.41Å; Y311-A337 VanDerWaalsContact OH-CA 3.3Å; Y311-A337 WeakPolarHBondContact OH-CA 3.36Å; Y311-A337 VanDerWaalsContact OH-CB 3.3Å; Y311-A337 WeakPolarHBondContact OH-CB 3.29Å; Y311-A337 PolarHBondContact OH-N 3.14Å; L329-A337 HydrophobicContact CG-CB 4.38Å
338L95.3Very high91.4Very high3 Ų340 Ų402%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-95.6125.4166.8-174.274.3000108.4L248 F251 A260 F261 L262 L329 K330 V332 C340 F357 F360L248-L338 HydrophobicContact CD2-CD1 3.6Å; F251-L338 HydrophobicContact CD1-CD2 4.14Å; F251-L338 HydrophobicContact CE1-CD2 3.55Å; F251-L338 HydrophobicContact CZ-CD2 4.07Å; A260-L338 HydrophobicContact CB-CD1 4.26Å; F261-L338 WeakPolarHBondContact O-CA 3.1Å; L262-L338 HydrophobicContact CD1-CD1 4.46Å; L329-L338 CarbonylContact C-O 3.59Å; L329-L338 VanDerWaalsContact CA-O 3.29Å; L329-L338 WeakPolarHBondContact CA-O 3.26Å; K330-L338 PolarHBondContact N-O 3.41Å; K330-L338 PolarHBondContact O-N 3.05Å; V332-L338 HydrophobicContact CG2-CB 3.69Å; L338-C340 VanDerWaalsContact CD2-SG 3.6Å; L338-F357 HydrophobicContact CB-CE2 3.91Å; L338-F357 HydrophobicContact CD2-CD2 3.59Å; L338-F357 HydrophobicContact CD2-CE2 3.51Å; L338-F357 HydrophobicContact CG-CE2 4.36Å; L338-F360 HydrophobicContact CD1-CE1 4.17Å; L338-F360 HydrophobicContact CD1-CZ 4.39Å; L338-F360 HydrophobicContact CD2-CD1 4.34Å; L338-F360 HydrophobicContact CD2-CE1 4.16Å
339V95.9Very high91.1Very high0 Ų046.3 Ų46.30%021%0.206CC..EExtended strand (participates in β ladder)trans-115.4125.1173.7-172.20000108.9A260 F261 F263 C286 M289 I290 Y328 L329A260-V339 CarbonylContact C-O 3.57Å; A260-V339 WeakPolarHBondContact CA-O 3.48Å; F261-V339 PolarHBondContact N-O 2.83Å; F261-V339 PolarHBondContact O-N 2.92Å; F263-V339 HydrophobicContact CD2-CB 4.11Å; F263-V339 HydrophobicContact CD2-CG2 3.79Å; F263-V339 HydrophobicContact CE2-CB 4.23Å; F263-V339 HydrophobicContact CE2-CG2 4.26Å; C286-V339 HydrophobicContact CB-CG1 4.19Å; C286-V339 WeakPolarHBondContact SG-CG1 3.42Å; M289-V339 HydrophobicContact SD-CG1 3.86Å; I290-V339 HydrophobicContact CD1-CG2 4.22Å; I290-V339 HydrophobicContact CG1-CG2 4.24Å; Y328-V339 CarbonylContact O-C 3.52Å; Y328-V339 WeakPolarHBondContact O-CA 3.45Å; L329-V339 HydrophobicContact CB-CG2 4.42Å; L329-V339 HydrophobicContact CD1-CG2 3.98Å; L329-V339 HydrophobicContact CG-CG2 4.16Å
340C95Very high90.8Very high2 Ų249.5 Ų49.51%0.01422%0.22CC..EExtended strand (participates in β ladder)trans-123.3143.3-173.9-58.60000111.4I257 K259 L327 Y328 L338 V342I257-C340 HydrophobicContact CD1-CB 4.32Å; I257-C340 HydrophobicContact CG2-CB 3.91Å; K259-C340 CarbonylContact O-C 3.58Å; K259-C340 WeakPolarHBondContact O-CA 3.46Å; L327-C340 CarbonylContact C-O 3.59Å; L327-C340 WeakPolarHBondContact CA-O 3.49Å; Y328-C340 PolarHBondContact N-O 3.14Å; Y328-C340 PolarHBondContact O-N 3.14Å; L338-C340 VanDerWaalsContact CD2-SG 3.6Å; C340-V342 HydrophobicContact CB-CG2 4.16Å
341F94.7Very high90.7Very high13 Ų1350.7 Ų50.76%0.05724%0.242CC..EExtended strand (participates in β ladder)trans-100.6119.1167.2-70.9-96.6000109.5I257 E258 K259 F261 T282 L285 C286 T325 L327I257-F341 VanDerWaalsContact CG2-O 3.29Å; I257-F341 WeakPolarHBondContact CG2-O 3.44Å; E258-F341 PolarHBondContact N-O 3.32Å; K259-F341 HydrophobicContact CB-CB 4.16Å; K259-F341 HydrophobicContact CB-CD2 4.02Å; K259-F341 HydrophobicContact CB-CG 4.43Å; K259-F341 HydrophobicContact CG-CD2 4.42Å; K259-F341 PolarHBondContact O-N 3.25Å; F261-F341 HydrophobicContact CD2-CE2 4.33Å; F261-F341 HydrophobicContact CE2-CD2 4.4Å; F261-F341 HydrophobicContact CE2-CE2 4.01Å; T282-F341 HydrophobicContact CG2-CD1 4.45Å; T282-F341 HydrophobicContact CG2-CD2 3.77Å; T282-F341 HydrophobicContact CG2-CE1 3.99Å; T282-F341 HydrophobicContact CG2-CE2 3.19Å; T282-F341 HydrophobicContact CG2-CG 4.36Å; T282-F341 HydrophobicContact CG2-CZ 3.34Å; T282-F341 WeakPolarHBondContact O-CZ 3.37Å; L285-F341 HydrophobicContact CD2-CE1 4.07Å; L285-F341 HydrophobicContact CD2-CZ 4.46Å; C286-F341 WeakPolarHBondContact SG-CE2 3.09Å; T325-F341 HydrophobicContact CG2-CD1 3.88Å; L327-F341 HydrophobicContact CD2-CD1 4.33Å; L327-F341 HydrophobicContact CD2-CE1 3.55Å; L327-F341 HydrophobicContact CD2-CE2 4.48Å; L327-F341 HydrophobicContact CD2-CZ 3.63Å; L327-F341 HydrophobicContact CG-CD1 4.29Å; L327-F341 HydrophobicContact CG-CE1 3.93Å; L327-F341 HydrophobicContact CG-CZ 4.43Å
342V94.2Very high90.6Very high0 Ų055.2 Ų55.20%027%0.265CS..EExtended strand (participates in β ladder)trans-127.3138.2-177.2-163.70000108.8I257 V326 C340 F347 I353I257-V342 HydrophobicContact CG1-CG2 3.99Å; I257-V342 HydrophobicContact CG2-CG2 4.39Å; V326-V342 WeakPolarHBondContact CA-O 3.47Å; V326-V342 WeakPolarHBondContact CB-O 3.39Å; V326-V342 PolarHBondContact N-O 3.3Å; V326-V342 PolarHBondContact O-N 3.09Å; C340-V342 HydrophobicContact CB-CG2 4.16Å; V342-F347 HydrophobicContact CB-CD2 4.32Å; V342-F347 HydrophobicContact CG1-CB 4.08Å; V342-F347 HydrophobicContact CG1-CD2 4.29Å; V342-I353 HydrophobicContact CG1-CD1 4.22Å
343R93.6Very high90.8Very high96 Ų9655.3 Ų55.336%0.36227%0.266SS..EExtended strand (participates in β ladder)trans-68.3145.6167.7-71-71178.1-173.2-10.5110.3E258 E345 S346 F347E258-R343 HydrophobicContact CG-CG 4.31Å; E258-R343 WeakPolarHBondContact OE1-CG 3.31Å; E258-R343 IonicContact OE1-CZ 2.82Å; E258-R343 IonicContact OE1-NE 3.4Å; E258-R343 PolarHBondContact OE1-NE 2.87Å; E258-R343 IonicContact OE1-NH2 3.05Å; E258-R343 PolarHBondContact OE1-NH2 3.38Å; E258-R343 IonicContact OE2-CZ 3.67Å; E258-R343 IonicContact OE2-NE 3.93Å; E258-R343 PolarHBondContact OE2-NE 3.22Å; E258-R343 IonicContact OE2-NH2 3.97Å; R343-E345 PolarHBondContact O-N 3.29Å; R343-S346 PolarHBondContact O-N 2.99Å; R343-F347 PolarHBondContact O-N 3.11Å
344E92.3Very high91.1Very high72 Ų7256.4 Ų56.434%0.33627%0.271SS..Hα-helixtrans-56.3-39.7179.9-174.9157.6-146.900112.4K320 T324 V326 S346 F347 E348K320-E344 IonicContact NZ-OE1 3.02Å; K320-E344 PolarHBondContact NZ-OE1 3.22Å; T324-E344 WeakPolarHBondContact O-CB 3.46Å; T324-E344 PolarHBondContact O-N 3.37Å; V326-E344 HydrophobicContact CG2-CB 4.16Å; E344-S346 PolarHBondContact O-N 3.4Å; E344-F347 PolarHBondContact O-N 3.45Å; E344-F347 VanDerWaalsContact O-N 3.17Å; E344-E348 PolarHBondContact O-N 3.28Å
345E90.4Very high91.7Very high163 Ų16356.6 Ų56.676%0.76227%0.269SS*.Hα-helixtrans-60.8-42.6174.8-59.9178.7-179.400112.7R343 F347R343-E345 PolarHBondContact O-N 3.29Å; E345-F347 VanDerWaalsContact C-N 3.32Å
346S87.7Confident92.4Very high24 Ų2455.4 Ų55.417%0.16827%0.265CS..Hα-helixtrans-68.9-33.6176.2-74.70000111.8G256 R343 E344 E348 R349G256-S346 WeakPolarHBondContact O-CB 3.42Å; G256-S346 PolarHBondContact O-OG 2.93Å; R343-S346 PolarHBondContact O-N 2.99Å; E344-S346 PolarHBondContact O-N 3.4Å; S346-E348 VanDerWaalsContact C-N 3.26Å; S346-E348 PolarHBondContact O-N 3.19Å; S346-R349 PolarHBondContact O-N 2.91Å
347F90.3Very high92.7Very high20 Ų2056 Ų569%0.08827%0.268CS..Hα-helixtrans-71-17.8-177-165-102.2000113.4I318 V326 Y328 V342 R343 E344 E345 R349 K350 I353I318-F347 HydrophobicContact CD1-CE1 4.37Å; I318-F347 HydrophobicContact CD1-CZ 3.86Å; I318-F347 HydrophobicContact CG1-CZ 4.04Å; I318-F347 HydrophobicContact CG2-CE1 4.14Å; I318-F347 HydrophobicContact CG2-CZ 3.96Å; V326-F347 HydrophobicContact CB-CG 4.49Å; V326-F347 HydrophobicContact CG1-CD1 4.33Å; V326-F347 HydrophobicContact CG1-CD2 4.18Å; V326-F347 HydrophobicContact CG1-CE1 4.41Å; V326-F347 HydrophobicContact CG1-CE2 4.28Å; V326-F347 HydrophobicContact CG1-CG 4.21Å; V326-F347 HydrophobicContact CG1-CZ 4.38Å; V326-F347 HydrophobicContact CG2-CB 4.39Å; V326-F347 HydrophobicContact CG2-CG 4.5Å; Y328-F347 HydrophobicContact CD1-CE2 4.24Å; Y328-F347 HydrophobicContact CD2-CE2 4.22Å; Y328-F347 HydrophobicContact CD2-CZ 4.47Å; Y328-F347 HydrophobicContact CG-CE2 4.02Å; V342-F347 HydrophobicContact CB-CD2 4.32Å; V342-F347 HydrophobicContact CG1-CB 4.08Å; V342-F347 HydrophobicContact CG1-CD2 4.29Å; R343-F347 PolarHBondContact O-N 3.11Å; E344-F347 PolarHBondContact O-N 3.45Å; E344-F347 VanDerWaalsContact O-N 3.17Å; E345-F347 VanDerWaalsContact C-N 3.32Å; F347-R349 PolarHBondContact O-N 3.33Å; F347-R349 VanDerWaalsContact O-N 3.16Å; F347-K350 HydrophobicContact CZ-CD 4.37Å; F347-K350 HydrophobicContact CZ-CG 4.49Å; F347-K350 WeakPolarHBondContact O-CB 3.32Å; F347-K350 PolarHBondContact O-N 3.1Å; F347-I353 HydrophobicContact CD2-CD1 4.31Å
348E88.1Confident92.8Very high168 Ų16861.2 Ų61.279%0.78529%0.292SS*.THydrogen-bonded Turntrans-56.3-29.9171.1-65.1-171166.500112E344 S346 K350E344-E348 PolarHBondContact O-N 3.28Å; S346-E348 VanDerWaalsContact C-N 3.26Å; S346-E348 PolarHBondContact O-N 3.19Å; E348-K350 PolarHBondContact O-N 3.33Å
349R89.4Confident92.7Very high139 Ų13963.8 Ų63.853%0.52531%0.309SS..THydrogen-bonded Turntrans-87.136.3175.9-63.2178.7-66.7168.7-0.8112.7S346 F347 G351 L352 I353S346-R349 PolarHBondContact O-N 2.91Å; F347-R349 PolarHBondContact O-N 3.33Å; F347-R349 VanDerWaalsContact O-N 3.16Å; R349-G351 PolarHBondContact O-N 2.98Å; R349-G351 VanDerWaalsContact O-N 3.11Å; R349-L352 HydrophobicContact CB-CD1 4.3Å; R349-L352 PolarHBondContact O-N 2.85Å; R349-I353 PolarHBondContact O-N 3.09Å
350K90.1Very high92.7Very high71 Ų7164.2 Ų64.231%0.30931%0.311SS..Hα-helixtrans-48-41.9-178.2179.9-175.5167.498.20113.4F347 E348 L352 I353 D354F347-K350 HydrophobicContact CZ-CD 4.37Å; F347-K350 HydrophobicContact CZ-CG 4.49Å; F347-K350 WeakPolarHBondContact O-CB 3.32Å; F347-K350 PolarHBondContact O-N 3.1Å; E348-K350 PolarHBondContact O-N 3.33Å; K350-L352 VanDerWaalsContact C-N 3.28Å; K350-L352 PolarHBondContact O-N 3.27Å; K350-I353 WeakPolarHBondContact O-CB 3.28Å; K350-I353 PolarHBondContact O-N 3Å; K350-I353 VanDerWaalsContact O-N 3.09Å; K350-D354 WeakPolarHBondContact CE-OD2 3.47Å; K350-D354 WeakPolarHBondContact CG-OD2 3.22Å; K350-D354 PolarHBondContact O-N 2.88Å
351G91.9Very high92.6Very high56 Ų5667.1 Ų67.158%0.57732%0.322SS*.Hα-helixtrans-59.4-35.6-179.700000114R349 Y355R349-G351 PolarHBondContact O-N 2.98Å; R349-G351 VanDerWaalsContact O-N 3.11Å; G351-Y355 PolarHBondContact O-N 2.81Å; G351-Y355 VanDerWaalsContact O-N 3.14Å
352L92.9Very high92.5Very high103 Ų10372.6 Ų72.654%0.53935%0.346SS..Hα-helixtrans-72.1-40.3175-66.5177.4000111.4R349 K350 D354 Y355 N356R349-L352 HydrophobicContact CB-CD1 4.3Å; R349-L352 PolarHBondContact O-N 2.85Å; K350-L352 VanDerWaalsContact C-N 3.28Å; K350-L352 PolarHBondContact O-N 3.27Å; L352-D354 VanDerWaalsContact C-N 3.31Å; L352-D354 PolarHBondContact O-N 2.8Å; L352-Y355 PolarHBondContact O-N 3.02Å; L352-N356 WeakPolarHBondContact O-CB 3.45Å; L352-N356 VanDerWaalsContact O-CG 3.26Å; L352-N356 PolarHBondContact O-N 2.93Å
353I94.3Very high92.4Very high2 Ų273.8 Ų73.81%0.0136%0.356CS..Hα-helixtrans-61.1-43.7176.5-57177.4000109.9F251 I257 Y328 V342 F347 R349 K350 N356 F357F251-I353 HydrophobicContact CZ-CG2 4.27Å; I257-I353 HydrophobicContact CD1-CG2 4.39Å; Y328-I353 HydrophobicContact CD1-CG2 4.47Å; Y328-I353 HydrophobicContact CE1-CG2 4.26Å; V342-I353 HydrophobicContact CG1-CD1 4.22Å; F347-I353 HydrophobicContact CD2-CD1 4.31Å; R349-I353 PolarHBondContact O-N 3.09Å; K350-I353 WeakPolarHBondContact O-CB 3.28Å; K350-I353 PolarHBondContact O-N 3Å; K350-I353 VanDerWaalsContact O-N 3.09Å; I353-N356 PolarHBondContact O-N 2.88Å; I353-F357 VanDerWaalsContact O-CB 3.22Å; I353-F357 WeakPolarHBondContact O-CB 3.3Å; I353-F357 PolarHBondContact O-N 2.72Å
354D93.1Very high92.2Very high43 Ų4369.2 Ų69.223%0.2334%0.338CS..Hα-helixtrans-64.8-40.5178.8-75.6-27.6000112.5Y328 K330 K350 L352 F357 H358Y328-D354 PolarHBondContact OH-OD1 2.89Å; K330-D354 IonicContact NZ-OD1 3.47Å; K330-D354 PolarHBondContact NZ-OD1 3.21Å; K350-D354 WeakPolarHBondContact CE-OD2 3.47Å; K350-D354 WeakPolarHBondContact CG-OD2 3.22Å; K350-D354 PolarHBondContact O-N 2.88Å; L352-D354 VanDerWaalsContact C-N 3.31Å; L352-D354 PolarHBondContact O-N 2.8Å; D354-F357 PolarHBondContact O-N 3.33Å; D354-H358 PolarHBondContact O-N 3.45Å
355Y95.3Very high91.9Very high153 Ų15369.5 Ų69.560%0.634%0.34SS*.Hα-helixtrans-65.1-47.2174.8177.6-99000112.1G351 L352 F357 H358 C359G351-Y355 PolarHBondContact O-N 2.81Å; G351-Y355 VanDerWaalsContact O-N 3.14Å; L352-Y355 PolarHBondContact O-N 3.02Å; Y355-F357 VanDerWaalsContact C-N 3.26Å; Y355-F357 PolarHBondContact O-N 3.18Å; Y355-H358 WeakPolarHBondContact O-CB 3.41Å; Y355-H358 PolarHBondContact O-N 2.71Å; Y355-C359 PolarHBondContact O-N 3.18Å; Y355-C359 VanDerWaalsContact O-N 3.12Å; Y355-C359 PolarHBondContact O-SG 2.9Å; Y355-C359 VanDerWaalsContact O-SG 3.37Å
356N95.3Very high91.8Very high36 Ų3666.9 Ų66.919%0.19333%0.327CS..Hα-helixtrans-61.8-38.4176.3-71.1-13.9000111.1F251 N254 S255 L352 I353 C359 F360F251-N356 HydrophobicContact CD2-CB 3.92Å; F251-N356 HydrophobicContact CE2-CB 3.96Å; N254-N356 PolarHBondContact O-ND2 2.76Å; S255-N356 WeakPolarHBondContact OG-CB 3.4Å; S255-N356 PolarHBondContact OG-ND2 3.3Å; L352-N356 WeakPolarHBondContact O-CB 3.45Å; L352-N356 VanDerWaalsContact O-CG 3.26Å; L352-N356 PolarHBondContact O-N 2.93Å; I353-N356 PolarHBondContact O-N 2.88Å; N356-C359 PolarHBondContact O-N 3.46Å; N356-F360 WeakPolarHBondContact O-CB 3.21Å; N356-F360 PolarHBondContact O-N 3.09Å
357F94.9Very high91.6Very high12 Ų1266.9 Ų66.95%0.05333%0.326CS..Hα-helixtrans-64.3-41.1175.9177.9-95.7000111.7F251 K330 E331 V332 L338 I353 D354 Y355 C359 F360 R361F251-F357 HydrophobicContact CE2-CB 3.88Å; F251-F357 HydrophobicContact CZ-CB 4.23Å; F251-F357 HydrophobicContact CZ-CD2 4.29Å; K330-F357 HydrophobicContact CB-CD1 4.49Å; K330-F357 HydrophobicContact CB-CD2 4.47Å; K330-F357 HydrophobicContact CB-CE1 3.81Å; K330-F357 HydrophobicContact CB-CE2 3.8Å; K330-F357 HydrophobicContact CB-CZ 3.41Å; K330-F357 VanDerWaalsContact CB-CZ 3.41Å; K330-F357 HydrophobicContact CD-CB 4.5Å; K330-F357 HydrophobicContact CD-CD1 3.56Å; K330-F357 HydrophobicContact CD-CD2 4.12Å; K330-F357 HydrophobicContact CD-CE1 3.69Å; K330-F357 HydrophobicContact CD-CE2 4.24Å; K330-F357 HydrophobicContact CD-CG 3.77Å; K330-F357 HydrophobicContact CD-CZ 4.03Å; K330-F357 HydrophobicContact CG-CE1 4.41Å; K330-F357 HydrophobicContact CG-CZ 4.34Å; E331-F357 WeakPolarHBondContact O-CZ 3.35Å; V332-F357 HydrophobicContact CG2-CE2 4.03Å; V332-F357 HydrophobicContact CG2-CZ 3.97Å; L338-F357 HydrophobicContact CB-CE2 3.91Å; L338-F357 HydrophobicContact CD2-CD2 3.59Å; L338-F357 HydrophobicContact CD2-CE2 3.51Å; L338-F357 HydrophobicContact CG-CE2 4.36Å; I353-F357 VanDerWaalsContact O-CB 3.22Å; I353-F357 WeakPolarHBondContact O-CB 3.3Å; I353-F357 PolarHBondContact O-N 2.72Å; D354-F357 PolarHBondContact O-N 3.33Å; Y355-F357 VanDerWaalsContact C-N 3.26Å; Y355-F357 PolarHBondContact O-N 3.18Å; F357-C359 VanDerWaalsContact C-N 3.32Å; F357-C359 PolarHBondContact O-N 3.48Å; F357-F360 HydrophobicContact CD2-CD1 4.42Å; F357-F360 HydrophobicContact CE2-CD1 4.42Å; F357-F360 PolarHBondContact O-N 3.24Å; F357-R361 HydrophobicContact CE1-CB 4.32Å; F357-R361 WeakPolarHBondContact O-CB 3.27Å; F357-R361 PolarHBondContact O-N 3.04Å
358H94Very high90.9Very high109 Ų10967.6 Ų67.651%0.50533%0.329SS..Hα-helixtrans-59.6-44.4175.4179.981000111.6D354 Y355 R361 K362D354-H358 PolarHBondContact O-N 3.45Å; Y355-H358 WeakPolarHBondContact O-CB 3.41Å; Y355-H358 PolarHBondContact O-N 2.71Å; H358-R361 PolarHBondContact O-N 3.21Å; H358-K362 PolarHBondContact O-N 3.44Å
359C94.5Very high90.3Very high57 Ų5764.6 Ų64.639%0.38532%0.315SS..Hα-helixtrans-62.1-44.1175.2-61.90000111.7Y355 N356 F357 K362 A363Y355-C359 PolarHBondContact O-N 3.18Å; Y355-C359 VanDerWaalsContact O-N 3.12Å; Y355-C359 PolarHBondContact O-SG 2.9Å; Y355-C359 VanDerWaalsContact O-SG 3.37Å; N356-C359 PolarHBondContact O-N 3.46Å; F357-C359 VanDerWaalsContact C-N 3.32Å; F357-C359 PolarHBondContact O-N 3.48Å; C359-K362 PolarHBondContact O-N 3.37Å; C359-A363 PolarHBondContact O-N 3.06Å
360F94.5Very high89.5Confident9 Ų961.9 Ų61.94%0.03931%0.314CS..Hα-helixtrans-60.7-49.3175.7172.4-97.7000111.7L247 L248 F251 V332 L338 N356 F357 K362 A363 I364L247-F360 HydrophobicContact CB-CD2 4.05Å; L247-F360 HydrophobicContact CB-CE2 3.82Å; L248-F360 HydrophobicContact CD2-CE1 4.44Å; L248-F360 HydrophobicContact CD2-CE2 3.77Å; L248-F360 HydrophobicContact CD2-CZ 3.53Å; L248-F360 HydrophobicContact CG-CE2 4.07Å; L248-F360 HydrophobicContact CG-CZ 4.13Å; F251-F360 HydrophobicContact CB-CB 4.42Å; F251-F360 HydrophobicContact CB-CD2 4.05Å; F251-F360 HydrophobicContact CB-CG 4.38Å; F251-F360 HydrophobicContact CD2-CB 4.2Å; F251-F360 HydrophobicContact CG-CB 4.39Å; F251-F360 HydrophobicContact CG-CG 4.42Å; V332-F360 HydrophobicContact CG2-CE1 4.37Å; L338-F360 HydrophobicContact CD1-CE1 4.17Å; L338-F360 HydrophobicContact CD1-CZ 4.39Å; L338-F360 HydrophobicContact CD2-CD1 4.34Å; L338-F360 HydrophobicContact CD2-CE1 4.16Å; N356-F360 WeakPolarHBondContact O-CB 3.21Å; N356-F360 PolarHBondContact O-N 3.09Å; F357-F360 HydrophobicContact CD2-CD1 4.42Å; F357-F360 HydrophobicContact CE2-CD1 4.42Å; F357-F360 PolarHBondContact O-N 3.24Å; F360-K362 VanDerWaalsContact C-N 3.33Å; F360-K362 PolarHBondContact O-N 3.28Å; F360-A363 WeakPolarHBondContact O-CB 3.36Å; F360-A363 PolarHBondContact O-N 3Å; F360-A363 VanDerWaalsContact O-N 3.16Å; F360-I364 HydrophobicContact CD1-CG1 4.16Å; F360-I364 HydrophobicContact CD2-CG1 4.28Å; F360-I364 HydrophobicContact CE1-CD1 4.33Å; F360-I364 HydrophobicContact CE1-CG1 3.74Å; F360-I364 HydrophobicContact CE2-CD1 3.9Å; F360-I364 HydrophobicContact CE2-CG1 3.88Å; F360-I364 HydrophobicContact CG-CG1 4.41Å; F360-I364 HydrophobicContact CZ-CD1 3.69Å; F360-I364 HydrophobicContact CZ-CG1 3.59Å; F360-I364 VanDerWaalsContact O-CG1 3.28Å; F360-I364 WeakPolarHBondContact O-CG1 3.39Å; F360-I364 PolarHBondContact O-N 3.11Å
361R93.1Very high88.5Confident64 Ų6461 Ų6124%0.24231%0.309CS..Hα-helixtrans-56.7-47.4177.8-176.2175.7-179.5-134.314.9110.5E331 V332 F357 H358 A363 I364 H365E331-R361 IonicContact OE1-NH2 3.39Å; E331-R361 IonicContact OE2-CZ 3.55Å; E331-R361 IonicContact OE2-NE 3.18Å; E331-R361 PolarHBondContact OE2-NE 2.82Å; E331-R361 IonicContact OE2-NH2 3.47Å; E331-R361 PolarHBondContact OE2-NH2 3.32Å; V332-R361 HydrophobicContact CG1-CG 4.39Å; V332-R361 PolarHBondContact O-NE 3.29Å; F357-R361 HydrophobicContact CE1-CB 4.32Å; F357-R361 WeakPolarHBondContact O-CB 3.27Å; F357-R361 PolarHBondContact O-N 3.04Å; H358-R361 PolarHBondContact O-N 3.21Å; R361-A363 PolarHBondContact O-N 3.31Å; R361-I364 PolarHBondContact O-N 3.43Å; R361-H365 PolarHBondContact O-CD2 2.58Å; R361-H365 PolarHBondContact O-N 2.84Å
362K92.4Very high87.2Confident128 Ų12862.5 Ų62.556%0.55730%0.302SS*.Hα-helixtrans-59.7-45.5176.7-171.7176.8177.4177.80112.3H358 C359 F360 I364 H365 E366H358-K362 PolarHBondContact O-N 3.44Å; C359-K362 PolarHBondContact O-N 3.37Å; F360-K362 VanDerWaalsContact C-N 3.33Å; F360-K362 PolarHBondContact O-N 3.28Å; K362-I364 VanDerWaalsContact C-N 3.31Å; K362-I364 PolarHBondContact O-N 3.43Å; K362-H365 PolarHBondContact O-N 3.46Å; K362-E366 PolarHBondContact O-N 3.46Å
363A91.9Very high85.8Confident25 Ų2563.3 Ų63.321%0.20730%0.301CS..Hα-helixtrans-60.7-40177.500000112.4L247 C359 F360 R361 E366 V367L247-A363 HydrophobicContact CD1-CB 4.14Å; L247-A363 HydrophobicContact CD2-CB 3.92Å; C359-A363 PolarHBondContact O-N 3.06Å; F360-A363 WeakPolarHBondContact O-CB 3.36Å; F360-A363 PolarHBondContact O-N 3Å; F360-A363 VanDerWaalsContact O-N 3.16Å; R361-A363 PolarHBondContact O-N 3.31Å; A363-E366 PolarHBondContact O-N 3.09Å; A363-V367 WeakPolarHBondContact O-CG2 3.4Å; A363-V367 PolarHBondContact O-N 3.09Å
364I89.3Confident84.4Confident0 Ų066.5 Ų66.50%032%0.32CS..Hα-helixtrans-63.2-43.3176.6-69.1-69.8000111.4L244 L247 V332 F360 R361 K362 E366 V367 F368L244-I364 HydrophobicContact CD2-CD1 3.35Å; L247-I364 HydrophobicContact CD1-CD1 3.94Å; V332-I364 HydrophobicContact CG1-CB 4.15Å; V332-I364 HydrophobicContact CG1-CG1 4.46Å; V332-I364 HydrophobicContact CG1-CG2 3.69Å; F360-I364 HydrophobicContact CD1-CG1 4.16Å; F360-I364 HydrophobicContact CD2-CG1 4.28Å; F360-I364 HydrophobicContact CE1-CD1 4.33Å; F360-I364 HydrophobicContact CE1-CG1 3.74Å; F360-I364 HydrophobicContact CE2-CD1 3.9Å; F360-I364 HydrophobicContact CE2-CG1 3.88Å; F360-I364 HydrophobicContact CG-CG1 4.41Å; F360-I364 HydrophobicContact CZ-CD1 3.69Å; F360-I364 HydrophobicContact CZ-CG1 3.59Å; F360-I364 VanDerWaalsContact O-CG1 3.28Å; F360-I364 WeakPolarHBondContact O-CG1 3.39Å; F360-I364 PolarHBondContact O-N 3.11Å; R361-I364 PolarHBondContact O-N 3.43Å; K362-I364 VanDerWaalsContact C-N 3.31Å; K362-I364 PolarHBondContact O-N 3.43Å; I364-E366 VanDerWaalsContact C-N 3.35Å; I364-E366 PolarHBondContact O-N 3.18Å; I364-V367 PolarHBondContact O-N 3.12Å; I364-F368 HydrophobicContact CG2-CD2 3.9Å; I364-F368 HydrophobicContact CG2-CE1 3.97Å; I364-F368 HydrophobicContact CG2-CE2 3.13Å; I364-F368 HydrophobicContact CG2-CZ 3.2Å; I364-F368 VanDerWaalsContact O-CD2 3.3Å; I364-F368 WeakPolarHBondContact O-CD2 3.47Å; I364-F368 VanDerWaalsContact O-CG 3.22Å; I364-F368 WeakPolarHBondContact O-CG 3.48Å; I364-F368 PolarHBondContact O-N 2.94Å; I364-F368 VanDerWaalsContact O-N 3.08Å
365H87.3Confident82.9Confident78 Ų7867 Ų6736%0.36133%0.325SS..Hα-helixtrans-61.6-41.2175.2-80-115.2000112.1V332 R361 K362 V367 F368 E369V332-H365 PolarHBondContact O-NE2 3.11Å; R361-H365 PolarHBondContact O-CD2 2.58Å; R361-H365 PolarHBondContact O-N 2.84Å; K362-H365 PolarHBondContact O-N 3.46Å; H365-V367 PolarHBondContact O-N 3.27Å; H365-F368 WeakPolarHBondContact O-CB 3.29Å; H365-F368 PolarHBondContact O-N 3.13Å; H365-E369 PolarHBondContact O-N 2.66Å
366E87.3Confident81.2Confident108 Ų10866.4 Ų66.451%0.50533%0.325SS..Hα-helixtrans-62.8-42.1176-71.4177.5-165.600112.3K362 A363 I364 F368 E369 V370K362-E366 PolarHBondContact O-N 3.46Å; A363-E366 PolarHBondContact O-N 3.09Å; I364-E366 VanDerWaalsContact C-N 3.35Å; I364-E366 PolarHBondContact O-N 3.18Å; E366-F368 VanDerWaalsContact C-N 3.27Å; E366-F368 PolarHBondContact O-N 2.68Å; E366-E369 PolarHBondContact O-N 3.24Å; E366-V370 WeakPolarHBondContact O-CG2 3.34Å; E366-V370 PolarHBondContact O-N 3.47Å; E366-V370 VanDerWaalsContact O-N 3.07Å
367V83.7Confident79.5Confident24 Ų2468.2 Ų68.215%0.14534%0.341CS..Hα-helixtrans-60-40.2174.9172.60000110.8T243 L244 L247 A363 I364 H365 V370 R371T243-V367 HydrophobicContact CG2-CG2 4.08Å; L244-V367 HydrophobicContact CD2-CG1 4.49Å; L247-V367 HydrophobicContact CD1-CG2 4.16Å; A363-V367 WeakPolarHBondContact O-CG2 3.4Å; A363-V367 PolarHBondContact O-N 3.09Å; I364-V367 PolarHBondContact O-N 3.12Å; H365-V367 PolarHBondContact O-N 3.27Å; V367-V370 PolarHBondContact O-N 3.34Å; V367-R371 PolarHBondContact O-N 2.96Å
368F76.4Confident77.9Confident34 Ų3475.7 Ų75.715%0.14937%0.368CS..Hα-helixtrans-68.1-40.1177.6-61.4-22.9000112.9F110 T333 L336 I364 H365 E366 V370 R371 M372F110-F368 AromaticContact CD2-CD1 3.54Å; F110-F368 HydrophobicContact CD2-CD1 3.54Å; F110-F368 AromaticContact CD2-CE1 3Å; F110-F368 HydrophobicContact CD2-CE1 3Å; F110-F368 AromaticContact CD2-CZ 3.53Å; F110-F368 HydrophobicContact CD2-CZ 3.53Å; F110-F368 AromaticContact CE2-CD1 3.6Å; F110-F368 HydrophobicContact CE2-CD1 3.6Å; F110-F368 AromaticContact CE2-CE1 3.04Å; F110-F368 HydrophobicContact CE2-CE1 3.04Å; F110-F368 AromaticContact CE2-CZ 3.93Å; F110-F368 HydrophobicContact CE2-CZ 3.93Å; F110-F368 HydrophobicContact CG-CE1 4.13Å; F110-F368 HydrophobicContact CG-CZ 4.31Å; F110-F368 HydrophobicContact CZ-CE1 4.17Å; T333-F368 HydrophobicContact CG2-CD2 4.05Å; T333-F368 HydrophobicContact CG2-CE2 3.64Å; L336-F368 HydrophobicContact CD1-CE2 3.93Å; L336-F368 HydrophobicContact CD1-CZ 3.54Å; I364-F368 HydrophobicContact CG2-CD2 3.9Å; I364-F368 HydrophobicContact CG2-CE1 3.97Å; I364-F368 HydrophobicContact CG2-CE2 3.13Å; I364-F368 HydrophobicContact CG2-CZ 3.2Å; I364-F368 VanDerWaalsContact O-CD2 3.3Å; I364-F368 WeakPolarHBondContact O-CD2 3.47Å; I364-F368 VanDerWaalsContact O-CG 3.22Å; I364-F368 WeakPolarHBondContact O-CG 3.48Å; I364-F368 PolarHBondContact O-N 2.94Å; I364-F368 VanDerWaalsContact O-N 3.08Å; H365-F368 WeakPolarHBondContact O-CB 3.29Å; H365-F368 PolarHBondContact O-N 3.13Å; E366-F368 VanDerWaalsContact C-N 3.27Å; E366-F368 PolarHBondContact O-N 2.68Å; F368-V370 PolarHBondContact O-N 2.94Å; F368-R371 WeakPolarHBondContact O-CB 3.45Å; F368-R371 PolarHBondContact O-N 3.21Å; F368-M372 PolarHBondContact O-N 2.86Å
369E75Confident76.1Confident106 Ų10674.2 Ų74.250%0.49536%0.361SS..Hα-helixtrans-61.5-43.2174.9-80.1-161.9-174.800112.5H365 E366 R371 M372 K373H365-E369 PolarHBondContact O-N 2.66Å; E366-E369 PolarHBondContact O-N 3.24Å; E369-R371 VanDerWaalsContact C-N 3.29Å; E369-R371 PolarHBondContact O-N 3.49Å; E369-M372 PolarHBondContact O-N 3.41Å; E369-K373 WeakPolarHBondContact O-CB 3.43Å; E369-K373 WeakPolarHBondContact O-CG 3.43Å; E369-K373 PolarHBondContact O-N 2.84Å; E369-K373 IonicContact OE2-NZ 3.81Å; E369-K373 PolarHBondContact OE2-NZ 3.29Å
370V73.4Confident74.4Confident81 Ų8175.7 Ų75.749%0.49137%0.368SS..Hα-helixtrans-60.6-42.8178.41730000110.1E366 V367 F368 M372 K373 V374E366-V370 WeakPolarHBondContact O-CG2 3.34Å; E366-V370 PolarHBondContact O-N 3.47Å; E366-V370 VanDerWaalsContact O-N 3.07Å; V367-V370 PolarHBondContact O-N 3.34Å; F368-V370 PolarHBondContact O-N 2.94Å; V370-M372 PolarHBondContact O-N 3.1Å; V370-K373 PolarHBondContact O-N 3.12Å; V370-V374 HydrophobicContact CG1-CG2 4.3Å; V370-V374 WeakPolarHBondContact O-CB 3.4Å; V370-V374 VanDerWaalsContact O-CG2 3.26Å; V370-V374 WeakPolarHBondContact O-CG2 3.34Å; V370-V374 PolarHBondContact O-N 3.15Å
371R68.6Low72.6Confident53 Ų5381 Ų8120%0.239%0.393CS..Hα-helixtrans-58.1-48.2174.3-171.7179.7172.5-169.6-2.1111.4F110 V367 F368 E369 K373 V374 V375F110-R371 PolarHBondContact O-NH1 3.24Å; V367-R371 PolarHBondContact O-N 2.96Å; F368-R371 WeakPolarHBondContact O-CB 3.45Å; F368-R371 PolarHBondContact O-N 3.21Å; E369-R371 VanDerWaalsContact C-N 3.29Å; E369-R371 PolarHBondContact O-N 3.49Å; R371-K373 PolarHBondContact O-N 3.25Å; R371-V374 PolarHBondContact O-N 3.13Å; R371-V375 WeakPolarHBondContact O-CB 3.4Å; R371-V375 VanDerWaalsContact O-CG2 3.26Å; R371-V375 WeakPolarHBondContact O-CG2 3.12Å; R371-V375 PolarHBondContact O-N 3.34Å
372M64.2Low70.8Confident87 Ų8782.6 Ų82.643%0.42941%0.406SS..Hα-helixtrans-62.3-41178.8-73-65111.200112.4F368 E369 V370 V375 K376F368-M372 PolarHBondContact O-N 2.86Å; E369-M372 PolarHBondContact O-N 3.41Å; V370-M372 PolarHBondContact O-N 3.1Å; M372-V375 PolarHBondContact O-N 3.19Å; M372-K376 WeakPolarHBondContact O-CB 3.34Å; M372-K376 VanDerWaalsContact O-CG 3.31Å; M372-K376 WeakPolarHBondContact O-CG 3.4Å; M372-K376 PolarHBondContact O-N 2.56Å
373K63.5Low69.1Low120 Ų12085.9 Ų85.952%0.52242%0.415SS..Hα-helixtrans-65.9-41.8176.7-73.6168.5-179.9158.20111.8E369 V370 R371 K376 S377E369-K373 WeakPolarHBondContact O-CB 3.43Å; E369-K373 WeakPolarHBondContact O-CG 3.43Å; E369-K373 PolarHBondContact O-N 2.84Å; E369-K373 IonicContact OE2-NZ 3.81Å; E369-K373 PolarHBondContact OE2-NZ 3.29Å; V370-K373 PolarHBondContact O-N 3.12Å; R371-K373 PolarHBondContact O-N 3.25Å; K373-K376 PolarHBondContact O-N 3.01Å; K373-S377 WeakPolarHBondContact O-CB 3.24Å; K373-S377 PolarHBondContact O-N 3.09Å; K373-S377 PolarHBondContact O-OG 2.96Å
374V64.5Low67.4Low69 Ų6989.8 Ų89.842%0.41843%0.432SS..Hα-helixtrans-63.6-44.1175.1170.70000110.9V370 R371 S377 R378V370-V374 HydrophobicContact CG1-CG2 4.3Å; V370-V374 WeakPolarHBondContact O-CB 3.4Å; V370-V374 VanDerWaalsContact O-CG2 3.26Å; V370-V374 WeakPolarHBondContact O-CG2 3.34Å; V370-V374 PolarHBondContact O-N 3.15Å; R371-V374 PolarHBondContact O-N 3.13Å; V374-S377 PolarHBondContact O-N 3.16Å; V374-R378 WeakPolarHBondContact O-CG 3.41Å; V374-R378 PolarHBondContact O-N 3.47Å
375V62.3Low65.6Low54 Ų5495.8 Ų95.833%0.32746%0.46SS..Hα-helixtrans-64.2-45.6177.1171.80000111.2R371 M372 S377 R378 K379R371-V375 WeakPolarHBondContact O-CB 3.4Å; R371-V375 VanDerWaalsContact O-CG2 3.26Å; R371-V375 WeakPolarHBondContact O-CG2 3.12Å; R371-V375 PolarHBondContact O-N 3.34Å; M372-V375 PolarHBondContact O-N 3.19Å; V375-S377 VanDerWaalsContact C-N 3.34Å; V375-S377 PolarHBondContact O-N 3.25Å; V375-R378 PolarHBondContact O-N 2.99Å; V375-K379 WeakPolarHBondContact O-CG 3.28Å; V375-K379 PolarHBondContact O-N 3.43Å
376K60Low64Low141 Ų14199.8 Ų99.861%0.61348%0.476SS*.Hα-helixtrans-60.7-41.3175.6-76.2178.6179.8-177.90111.9M372 K373 K379 V380M372-K376 WeakPolarHBondContact O-CB 3.34Å; M372-K376 VanDerWaalsContact O-CG 3.31Å; M372-K376 WeakPolarHBondContact O-CG 3.4Å; M372-K376 PolarHBondContact O-N 2.56Å; K373-K376 PolarHBondContact O-N 3.01Å; K376-K379 WeakPolarHBondContact O-CB 3.49Å; K376-K379 PolarHBondContact O-N 2.86Å; K376-V380 WeakPolarHBondContact O-CG2 3.26Å; K376-V380 PolarHBondContact O-N 3.37Å
377S59.7Low62.3Low73 Ų73103.1 Ų103.151%0.5149%0.489SS..Hα-helixtrans-63.9-42.3177.4-58.90000111.9K373 V374 V375 K379 V380 Q381K373-S377 WeakPolarHBondContact O-CB 3.24Å; K373-S377 PolarHBondContact O-N 3.09Å; K373-S377 PolarHBondContact O-OG 2.96Å; V374-S377 PolarHBondContact O-N 3.16Å; V375-S377 VanDerWaalsContact C-N 3.34Å; V375-S377 PolarHBondContact O-N 3.25Å; S377-K379 VanDerWaalsContact C-N 3.34Å; S377-K379 PolarHBondContact O-N 3.13Å; S377-V380 PolarHBondContact O-N 3.16Å; S377-Q381 PolarHBondContact O-N 2.78Å
378R59.8Low60.8Low169 Ų169110.7 Ų110.764%0.63852%0.52SS*.Hα-helixtrans-61.5-39.2172.2-73.5-179.1178.3-177.2-0.5112.2V374 V375 V380 Q381 N382V374-R378 WeakPolarHBondContact O-CG 3.41Å; V374-R378 PolarHBondContact O-N 3.47Å; V375-R378 PolarHBondContact O-N 2.99Å; R378-V380 PolarHBondContact O-N 3.26Å; R378-Q381 PolarHBondContact O-N 3.07Å; R378-N382 WeakPolarHBondContact O-CB 3.23Å; R378-N382 PolarHBondContact O-N 3.27Å
379K56.5Low59Low78 Ų78112.4 Ų112.434%0.33955%0.547SS..Hα-helixtrans-61.2-42.9175.4-72.4179.8178.7-176.70111.7E60 V375 K376 S377 R383E60-K379 IonicContact OE1-NZ 3.9Å; E60-K379 PolarHBondContact OE1-NZ 3.06Å; V375-K379 WeakPolarHBondContact O-CG 3.28Å; V375-K379 PolarHBondContact O-N 3.43Å; K376-K379 WeakPolarHBondContact O-CB 3.49Å; K376-K379 PolarHBondContact O-N 2.86Å; S377-K379 VanDerWaalsContact C-N 3.34Å; S377-K379 PolarHBondContact O-N 3.13Å; K379-R383 WeakPolarHBondContact O-CB 3.38Å; K379-R383 WeakPolarHBondContact O-CG 3.07Å; K379-R383 PolarHBondContact O-N 3.06Å; K379-R383 VanDerWaalsContact O-N 3.08Å
380V59.7Low57.5Low89 Ų89111 Ų11154%0.53955%0.554SS.*Hα-helixtrans-64.4-44.1176.7173.80000110.9K376 S377 R378 R383 L384K376-V380 WeakPolarHBondContact O-CG2 3.26Å; K376-V380 PolarHBondContact O-N 3.37Å; S377-V380 PolarHBondContact O-N 3.16Å; R378-V380 PolarHBondContact O-N 3.26Å; V380-R383 PolarHBondContact O-N 3.24Å; V380-L384 HydrophobicContact CG1-CD1 3.89Å; V380-L384 PolarHBondContact O-N 3.3Å
381Q56.3Low56.1Low119 Ų119112.7 Ų112.756%0.55657%0.565SS**Hα-helixtrans-67.1-40.6-178.9-153.8171.6-0.300112.5S377 R378 L384 Q385S377-Q381 PolarHBondContact O-N 2.78Å; R378-Q381 PolarHBondContact O-N 3.07Å; Q381-L384 PolarHBondContact O-N 3.29Å; Q381-Q385 PolarHBondContact O-N 3.44Å
382N55.1Low54.9Low99 Ų99116 Ų11653%0.52959%0.593SS.*Hα-helixtrans-66.9-36.1174.8-75.7-8.2000112.4R378 Q385 K386R378-N382 WeakPolarHBondContact O-CB 3.23Å; R378-N382 PolarHBondContact O-N 3.27Å; N382-Q385 PolarHBondContact O-N 3.34Å; N382-K386 PolarHBondContact O-N 3.27Å
383R57.1Low53.7Low196 Ų196119.9 Ų119.974%0.7462%0.615SS**Hα-helixtrans-65.7-37.8173.3-77.7-179178.4-170.2-0.2112.4K379 V380 K387K379-R383 WeakPolarHBondContact O-CB 3.38Å; K379-R383 WeakPolarHBondContact O-CG 3.07Å; K379-R383 PolarHBondContact O-N 3.06Å; K379-R383 VanDerWaalsContact O-N 3.08Å; V380-R383 PolarHBondContact O-N 3.24Å; R383-K387 PolarHBondContact O-N 3.04Å; R383-K387 VanDerWaalsContact O-N 3.14Å
384L55Low52.4Low107 Ų107117.6 Ų117.656%0.5663%0.626SS**Hα-helixtrans-67.2-36.7175.5-92.3144.2000112.7V380 Q381 K388V380-L384 HydrophobicContact CG1-CD1 3.89Å; V380-L384 PolarHBondContact O-N 3.3Å; Q381-L384 PolarHBondContact O-N 3.29Å; L384-K388 PolarHBondContact O-N 2.62Å
385Q53.5Low51.3Low127 Ų127118.7 Ų118.759%0.59364%0.642SS**Hα-helixtrans-70.9-40.3175-72.8-177.85.100112.4Q381 N382 K387 K388 G389Q381-Q385 PolarHBondContact O-N 3.44Å; N382-Q385 PolarHBondContact O-N 3.34Å; Q385-K387 VanDerWaalsContact C-N 3.32Å; Q385-K387 PolarHBondContact O-N 3.24Å; Q385-K388 PolarHBondContact O-N 3.05Å; Q385-K388 VanDerWaalsContact O-N 3.14Å; Q385-G389 PolarHBondContact O-N 2.71Å
386K53Low50.3Low162 Ų162121.8 Ų121.870%0.70466%0.663SS**Hα-helixtrans-62.2-36.2174.2-108.8-179.8176.1-179.30112.8N382 K388 G389N382-K386 PolarHBondContact O-N 3.27Å; K386-K388 VanDerWaalsContact C-N 3.32Å; K386-K388 PolarHBondContact O-N 3.38Å; K386-G389 PolarHBondContact O-N 3.24Å
387K52.1Low49.3Very low178 Ų178126.4 Ų126.477%0.77468%0.677SS**Hα-helixtrans-67.8-26.3174.2-86.6-174.1173-176.90113.9R383 Q385R383-K387 PolarHBondContact O-N 3.04Å; R383-K387 VanDerWaalsContact O-N 3.14Å; Q385-K387 VanDerWaalsContact C-N 3.32Å; Q385-K387 PolarHBondContact O-N 3.24Å
388K50.8Low48.1Very low182 Ų182129.3 Ų129.379%0.79169%0.692SS**Hα-helixtrans-80.5-18.3174.8-79.5-174.2173.8-176.80113.8L384 Q385 K386L384-K388 PolarHBondContact O-N 2.62Å; Q385-K388 PolarHBondContact O-N 3.05Å; Q385-K388 VanDerWaalsContact O-N 3.14Å; K386-K388 VanDerWaalsContact C-N 3.32Å; K386-K388 PolarHBondContact O-N 3.38Å
389G40.2Very low47.1Very low70 Ų70128.7 Ų128.772%0.72270%0.7SS**SBendtrans-87.6-8.1175.800000115.1Q385 K386Q385-G389 PolarHBondContact O-N 2.71Å; K386-G389 PolarHBondContact O-N 3.24Å
390A42Very low46.2Very low77 Ų77136.1 Ų136.164%0.63674%0.742SS**  trans-112.366.8179.700000111
391T43.5Very low45.5Very low117 Ų117138.5 Ų138.572%0.71875%0.752SS**  trans-89.5128.1158.940.60000108.8N393T391-N393 PolarHBondContact O-N 2.92Å
392P44.1Very low44.9Very low122 Ų122139.5 Ų139.579%0.79276%0.763SS**  trans-68.8132.7177.127.8-30.9000109.7G394P392-G394 PolarHBondContact O-N 3.46Å
393N38.3Very low44.4Very low168 Ų168141.8 Ų141.890%0.89878%0.776SS**  trans-49.4107.9169.8-80.3-25.2000109.8T391 A395T391-N393 PolarHBondContact O-N 2.92Å; N393-A395 PolarHBondContact O-N 3.19Å
394G36.9Very low43.6Very low73 Ų73138.6 Ų138.675%0.75378%0.778SS**  trans-66.6115.4169.500000109.3P392P392-G394 PolarHBondContact O-N 3.46Å
395A42.3Very low42.9Very low91 Ų91140.6 Ų140.675%0.75279%0.791SS**  trans-59.2132.9168.400000109.8N393 R397N393-A395 PolarHBondContact O-N 3.19Å; A395-R397 PolarHBondContact O-N 3.23Å
396P41.1Very low42.2Very low119 Ų119141.5 Ų141.577%0.77381%0.805SS**  trans-76.4112.3170.630.1-28.4000108.2V398P396-V398 PolarHBondContact O-N 2.85Å
397R37.7Very low41.4Very low239 Ų239140 Ų14090%0.90281%0.812SS**  trans-66.3110.1162-100.1-177.9168.3173.2-3.1107.9A395 L399A395-R397 PolarHBondContact O-N 3.23Å; R397-L399 PolarHBondContact O-N 3.27Å
398V36Very low40.6Very low134 Ų134137.1 Ų137.181%0.81282%0.815SS**  trans-66.4117.6165.8179.60000107.8P396P396-V398 PolarHBondContact O-N 2.85Å
399L38.4Very low39.8Very low155 Ų155133.3 Ų133.381%0.81282%0.817SS**  trans-124.392.4166.6-109.8163.7000106.7R397R397-L399 PolarHBondContact O-N 3.27Å
400L36.7Very low39.7Very low235 Ų235139.1 Ų139.1100%1.2383%0.825SS**  trans160.20141-90.4159.9000110.1

Retrieved 400 of 400 residues in 1895 ms (Link to these results)