A0A060W1I0_ONCMY Loading...

Polycomb group RING finger protein 6

Transcriptional repressor. May modulate the levels of histone H3K4Me3 by activating KDM5D histone demethylase. Component of a Polycomb group (PcG) multiprotein PRC1-like complex, a complex class required to maintain the transcriptionally repressive state of many genes, including Hox genes, throughout development. PcG PRC1 complex acts via chromatin remodeling and modification of histones; it mediates monoubiquitination of histone H2A 'Lys-119', rendering chromatin heritably changed in its expressibility. Within the PRC1-like complex, regulates RNF2 ubiquitin ligase activity.

AlphaFold DB , UniProt , Accession A0A060W1I0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 286 aa.

Structure Viewer
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.4Very low33.1Very low247 Ų247182.6 Ų182.6100%1.21787%0.874SS**  093.60-82.2172.4171.600106.7
2E32.7Very low32.8Very low174 Ų174172.9 Ų172.981%0.81386%0.858SS**  trans-67.6146.1173.9-67.4147.1103.900110.7
3D30.7Very low32.8Very low142 Ų142168.3 Ų168.376%0.75985%0.851SS**  179.9102.6117.7-117.4-26.8000109.4
4R32.5Very low32.7Very low212 Ų212167.9 Ų167.980%0.885%0.851SS**  66.289.999-68.4-172.1174-156.2-2.3115.3K6R4-K6 PolarHBondContact O-N 3.43Å
5T36.9Very low32.3Very low141 Ų141164.6 Ų164.687%0.86585%0.849SS**  trans-64.8113.3151.945.60000109.4E7T5-E7 PolarHBondContact O-N 3.07Å
6K32.8Very low32.3Very low194 Ų194162.3 Ų162.384%0.84385%0.845SS**  trans-77.7111.1171-76.4-179.8177.7178.30109.4R4 L8R4-K6 PolarHBondContact O-N 3.43Å; K6-L8 PolarHBondContact O-N 3.07Å
7E30.4Very low32.1Very low184 Ų184157 Ų15786%0.8684%0.839SS**  trans-62.9124.6161.2-66.3-175115.200108.6T5 E9T5-E7 PolarHBondContact O-N 3.07Å; E7-E9 PolarHBondContact O-N 3.13Å
8L32.4Very low31.9Very low169 Ų169158.5 Ų158.589%0.88584%0.84SS**  trans-77.7108.2172.8-124.977.9000107.8K6K6-L8 PolarHBondContact O-N 3.07Å
9E28.1Very low31.6Very low185 Ų185158.8 Ų158.886%0.86484%0.842SS**  trans-56.6133.3177.4-66174.7128.500111.2E7E7-E9 PolarHBondContact O-N 3.13Å
10R35.8Very low31.4Very low234 Ų234155.7 Ų155.788%0.88383%0.834SS**  trans-66.4133.9172.2-61.3177.1-174.8-166.30.8108.5G12R10-G12 PolarHBondContact O-N 3.14Å
11P32.7Very low31.3Very low127 Ų127157.4 Ų157.483%0.82584%0.836SS**  trans-66.3110.1172.626.2-30.8000108.7
12G29.2Very low30.8Very low66 Ų66154.2 Ų154.268%0.6882%0.818SS**  trans-61.8143.4178.300000111.8R10 L14R10-G12 PolarHBondContact O-N 3.14Å; G12-L14 PolarHBondContact O-N 2.92Å
13C33.4Very low30.6Very low113 Ų113150.9 Ų150.976%0.76482%0.821SS**  trans-53119.1164.1-173.40000108.5S15C13-S15 PolarHBondContact O-N 3.4Å
14L30.4Very low30.5Very low163 Ų163149.3 Ų149.385%0.85382%0.816SS**  trans-61.4110.4170.8-76.4160.5000107.9G12 V16G12-L14 PolarHBondContact O-N 2.92Å; L14-V16 PolarHBondContact O-N 3.47Å
15S27.5Very low30.5Very low118 Ų118145.3 Ų145.383%0.82582%0.818SS**  trans-67100174.4420000110C13 G17C13-S15 PolarHBondContact O-N 3.4Å; S15-G17 PolarHBondContact O-N 2.97Å
16V31.6Very low30.3Very low128 Ų128145.3 Ų145.378%0.77682%0.818SS**  trans-81.5108.6160.2-178.70000106.8L14L14-V16 PolarHBondContact O-N 3.47Å
17G29.1Very low30.1Very low72 Ų72143.7 Ų143.774%0.74282%0.818SS**  trans-60.5132.617400000111S15S15-G17 PolarHBondContact O-N 2.97Å
18Q29.2Very low30.1Very low184 Ų184138.2 Ų138.286%0.8681%0.812SS**  trans-118.899.9168.8-70.7-178.8-3800107.6
19N25Very low29.9Very low164 Ų164135.4 Ų135.488%0.87781%0.806SS**  trans-87.7127.1152.8-86.1-6.3000107
20S28.9Very low30.2Very low97 Ų97138.6 Ų138.668%0.67881%0.81SS**  trans151.392.614956.20000107.3
21E29.3Very low30Very low191 Ų191136.1 Ų136.189%0.89381%0.809SS**  97.198.592.2-82.7170.1139.700111.1
22E27.9Very low29.9Very low180 Ų180138 Ų13884%0.84181%0.812SS**  trans-72.7123.4169-174.4178.8156.600108.8
23A28.6Very low30.1Very low104 Ų104140 Ų14086%0.8682%0.816SS**  trans-116.198.5171.400000108.8
24T30Very low30.3Very low109 Ų109141.4 Ų141.467%0.66982%0.82SS**PPolyproline II helixtrans-91.4150.9162.241.90000110.2
25P31.3Very low30.4Very low128 Ų128140.9 Ų140.983%0.83182%0.819SS**PPolyproline II helixtrans-87.8140.4-16733.9-32000112.2
26T32.9Very low30.8Very low142 Ų142143.2 Ų143.287%0.87182%0.822SS**PPolyproline II helixtrans-95130.3171.2540000111.4
27D29.5Very low30.8Very low159 Ų159144.4 Ų144.485%0.8582%0.824SS**PPolyproline II helixtrans-61.4150172.6-170.113.4000113
28G28.6Very low31Very low70 Ų70144.2 Ų144.272%0.72282%0.822SS**  trans-166.697.6-175.200000111.9
29S29.2Very low31.5Very low110 Ų110140.5 Ų140.577%0.76982%0.816SS**  trans-57.2143.9-174-36.40000115.6
30R34.4Very low32Very low252 Ų252142 Ų14295%0.95182%0.818SS**  trans-145.5130.1148.5-79.4-165.1167.3179.3-4.9111.8
31Q31.5Very low32.4Very low181 Ų181144.8 Ų144.885%0.84683%0.825SS**  trans-65.9147.1176.7-69.9137.8-15.800112.3
32N31.3Very low33Very low166 Ų166145 Ų14589%0.88883%0.826SS**  trans-162.6130.2130.5-103.8-0.9000111.3
33S32.8Very low33.4Very low109 Ų109144.1 Ų144.176%0.76283%0.827SS**  trans-77.4139.6174.9-7.40000111.1
34V38.3Very low33.6Very low142 Ų142141.7 Ų141.786%0.86181%0.812SS**  trans-153.8132139.9-162.10000108.8
35D32.7Very low34Very low153 Ų153142.4 Ų142.482%0.81882%0.816SS**  trans-62.9147.6178.4-49.9-78.1000113.7
36N34.3Very low34.8Very low166 Ų166141.5 Ų141.589%0.88881%0.813SS**  trans-159.6142.1131.3-154.323.1000113
37D31.9Very low35Very low154 Ų154141.1 Ų141.182%0.82481%0.806SS**  trans-81.1162.3-172.1-174.328000113.3
38G33.8Very low35.6Very low68 Ų68140.7 Ų140.770%0.70180%0.804SS**  trans134.292.2163.500000116.7
39S38.9Very low36.4Very low106 Ų106143.5 Ų143.574%0.74181%0.806SS**  trans-60.1150.4166.648.20000115.1
40E35.8Very low37Very low195 Ų195144.7 Ų144.791%0.91180%0.804SS**  -174.7128.9128.8-100.5167.2-172.400111.5
41D36.8Very low37.9Very low156 Ų156137.7 Ų137.783%0.83479%0.794SS**  trans-71.8142.4-179.8-61.3-63.9000112.3
42H42.8Very low39.1Very low196 Ų196137.4 Ų137.491%0.90779%0.792SS**  trans-153.8126.7145.8-111.2-68.7000113.2
43D35.6Very low40.4Very low160 Ų160137 Ų13786%0.85679%0.79SS**  trans-41.1150.1171.7-178.535.2000116.5
44G33.7Very low42Very low54 Ų54139.4 Ų139.456%0.55779%0.79SS**  trans132.5101.7150.600000117.7
45T38.2Very low43.2Very low123 Ų123137.3 Ų137.376%0.75578%0.779SS**  trans84.3106.8135.9-47.40000118.4N47T45-N47 PolarHBondContact O-N 2.71Å
46S48.5Very low45Very low109 Ų109139.1 Ų139.176%0.76278%0.782SS**  trans-40.7118152.7-54.50000111.8
47N35.5Very low46.7Very low135 Ų135136.2 Ų136.272%0.72277%0.766SS**  trans-130.692.5147.1-77.9-40.8000106.2T45 V49T45-N47 PolarHBondContact O-N 2.71Å; N47-V49 HydrophobicContact CB-CG2 4.31Å; N47-V49 PolarHBondContact O-N 2.95Å
48N42.4Very low49.2Very low150 Ų150131.7 Ų131.780%0.80275%0.745SS**  trans-56.694.5148.2-73.9-42.6000105.1D50N48-D50 VanDerWaalsContact C-N 3.3Å; N48-D50 PolarHBondContact O-N 2.98Å
49V45.9Very low51.6Low129 Ų129130.9 Ų130.978%0.78273%0.725SS**  trans-76.5101.3161.6-179.60000103.2N47 S51N47-V49 HydrophobicContact CB-CG2 4.31Å; N47-V49 PolarHBondContact O-N 2.95Å; V49-S51 PolarHBondContact O-N 3.2Å
50D41.3Very low53.9Low135 Ų135130.8 Ų130.872%0.72272%0.716SS**  trans-38.4108.5168.5-71.5-48.4000108.1N48 E52N48-D50 VanDerWaalsContact C-N 3.3Å; N48-D50 PolarHBondContact O-N 2.98Å; D50-E52 PolarHBondContact O-N 3.29Å
51S54.4Low56.5Low105 Ų105127.4 Ų127.473%0.73470%0.7SS**  trans-61.690.8157.539.60000104.6V49 D53V49-S51 PolarHBondContact O-N 3.2Å; S51-D53 PolarHBondContact O-N 3.21Å
52E55.3Low59Low174 Ų174123.4 Ų123.481%0.81368%0.675SS**  trans-49.9107.5168.7-64.4-175.7139.200105.5D50 E54D50-E52 PolarHBondContact O-N 3.29Å; E52-E54 PolarHBondContact O-N 3.01Å
53D59.3Low61.4Low157 Ų157117.9 Ų117.984%0.8465%0.647SS**  trans-58.386.7167.3-84.9-47.1000106S51 P55S51-D53 PolarHBondContact O-N 3.21Å; D53-P55 WeakPolarHBondContact O-CD 3.32Å; D53-P55 VanDerWaalsContact O-N 3.08Å
54E66.4Low64.1Low161 Ų161115.1 Ų115.175%0.75264%0.638SS**  trans-53.5116.9167.3-103.9-81.3129.100105.3E52 E56E52-E54 PolarHBondContact O-N 3.01Å; E54-E56 PolarHBondContact O-N 3.05Å
55P64Low67Low98 Ų98120.7 Ų120.764%0.63664%0.643SS**  trans-62.6108.2-174.222.8-31.4000108.5D53 L57D53-P55 WeakPolarHBondContact O-CD 3.32Å; D53-P55 VanDerWaalsContact O-N 3.08Å; P55-L57 PolarHBondContact O-N 3.09Å
56E69.1Low69.7Low190 Ų190115.1 Ų115.189%0.88861%0.609SS**  trans-60.6103.5174.4-73.1-170.2169.900108.6E54 P58E54-E56 PolarHBondContact O-N 3.05Å; E56-P58 VanDerWaalsContact O-CD 3.28Å; E56-P58 WeakPolarHBondContact O-CD 3.35Å
57L71.6Confident72Confident106 Ų106115.3 Ų115.356%0.55559%0.593SS**  trans-66.6121.9177-74.3170.9000108.5P55 L59 M132P55-L57 PolarHBondContact O-N 3.09Å; L57-L59 VanDerWaalsContact C-N 3.34Å; L57-L59 PolarHBondContact O-N 3.4Å; L57-M132 HydrophobicContact CD1-CE 4.38Å
58P83.2Confident75Confident59 Ų59108.9 Ų108.938%0.38356%0.559SS.*  trans-6891.5178.226.7-34.4000110.3E56 N60 Q61E56-P58 VanDerWaalsContact O-CD 3.28Å; E56-P58 WeakPolarHBondContact O-CD 3.35Å; P58-N60 PolarHBondContact O-N 3.41Å; P58-N60 VanDerWaalsContact O-N 3.11Å; P58-N60 PolarHBondContact O-OD1 3.31Å; P58-Q61 HydrophobicContact CB-CG 4.15Å; P58-Q61 HydrophobicContact CG-CG 4.12Å; P58-Q61 WeakPolarHBondContact O-CG 3.18Å; P58-Q61 PolarHBondContact O-N 3.18Å; P58-Q61 VanDerWaalsContact O-N 3.17Å
59L84.1Confident77.5Confident51 Ų51104.5 Ų104.527%0.26754%0.543SS..G310 helixtrans-58-28.4-173.6-69.3177.7000113.5L57 Q61 F62 Y63 M132 L133L57-L59 VanDerWaalsContact C-N 3.34Å; L57-L59 PolarHBondContact O-N 3.4Å; L59-Q61 PolarHBondContact O-N 3.07Å; L59-F62 PolarHBondContact O-N 2.98Å; L59-Y63 HydrophobicContact CB-CE1 3.98Å; L59-Y63 WeakPolarHBondContact O-CD1 3.39Å; L59-Y63 WeakPolarHBondContact O-CE1 3.43Å; L59-Y63 PolarHBondContact O-N 3.46Å; L59-M132 HydrophobicContact CD2-CE 4.34Å; L59-M132 WeakPolarHBondContact CD2-O 3.39Å; L59-L133 HydrophobicContact CD1-CD2 4.02Å; L59-L133 HydrophobicContact CD2-CD2 4.32Å
60N87.8Confident80Confident104 Ų104101.5 Ų101.556%0.55652%0.522SS*.G310 helixtrans-57.1-30.5179.261.5-7.5000113.5P58 F62 Y63P58-N60 PolarHBondContact O-N 3.41Å; P58-N60 VanDerWaalsContact O-N 3.11Å; P58-N60 PolarHBondContact O-OD1 3.31Å; N60-F62 PolarHBondContact O-N 3.2Å; N60-Y63 HydrophobicContact CB-CD2 4.33Å; N60-Y63 HydrophobicContact CB-CE2 4.18Å; N60-Y63 PolarHBondContact O-N 3.36Å
61Q90.3Very high82.7Confident123 Ų12398 Ų9858%0.57551%0.508SS*.G310 helixtrans-68.1-25.8178-51.5-173.713.600111.9P58 L59P58-Q61 HydrophobicContact CB-CG 4.15Å; P58-Q61 HydrophobicContact CG-CG 4.12Å; P58-Q61 WeakPolarHBondContact O-CG 3.18Å; P58-Q61 PolarHBondContact O-N 3.18Å; P58-Q61 VanDerWaalsContact O-N 3.17Å; L59-Q61 PolarHBondContact O-N 3.07Å
62F90.7Very high84.7Confident72 Ų7296.1 Ų96.132%0.31649%0.494SS..THydrogen-bonded Turntrans-92.6-16-177-59.2-79.3000113.2L59 N60 P64 Y65 I66 M132L59-F62 PolarHBondContact O-N 2.98Å; N60-F62 PolarHBondContact O-N 3.2Å; F62-P64 VanDerWaalsContact C-N 3.31Å; F62-P64 VanDerWaalsContact O-N 3.14Å; F62-Y65 PolarHBondContact O-N 2.91Å; F62-I66 HydrophobicContact CB-CD1 4.1Å; F62-I66 WeakPolarHBondContact O-CG1 3.49Å; F62-I66 PolarHBondContact O-N 2.95Å; F62-M132 HydrophobicContact CD1-CE 4.37Å; F62-M132 HydrophobicContact CD2-CE 3.91Å; F62-M132 HydrophobicContact CE1-CE 4.42Å; F62-M132 HydrophobicContact CE2-CE 3.96Å; F62-M132 HydrophobicContact CG-CE 4.11Å; F62-M132 HydrophobicContact CZ-CE 4.21Å
63Y92.3Very high86.6Confident80 Ų8089.2 Ų89.231%0.31447%0.47SS..Hα-helixtrans-49-39.6-177.9-72.4-2.3000115.3L59 N60 Y65 I66 R67 F74L59-Y63 HydrophobicContact CB-CE1 3.98Å; L59-Y63 WeakPolarHBondContact O-CD1 3.39Å; L59-Y63 WeakPolarHBondContact O-CE1 3.43Å; L59-Y63 PolarHBondContact O-N 3.46Å; N60-Y63 HydrophobicContact CB-CD2 4.33Å; N60-Y63 HydrophobicContact CB-CE2 4.18Å; N60-Y63 PolarHBondContact O-N 3.36Å; Y63-Y65 PolarHBondContact O-N 3.13Å; Y63-I66 HydrophobicContact CD1-CD1 4.23Å; Y63-I66 HydrophobicContact CD1-CG1 4.47Å; Y63-I66 PolarHBondContact O-N 3.34Å; Y63-R67 VanDerWaalsContact O-CB 3.3Å; Y63-R67 WeakPolarHBondContact O-CB 3.31Å; Y63-R67 WeakPolarHBondContact O-CG 3.49Å; Y63-R67 PolarHBondContact O-N 3.32Å; Y63-R67 VanDerWaalsContact O-N 3.16Å; Y63-F74 AromaticContact CD1-CE1 3.91Å; Y63-F74 HydrophobicContact CD1-CE1 3.91Å; Y63-F74 HydrophobicContact CD1-CZ 4.44Å; Y63-F74 AromaticContact CE1-CE1 3.79Å; Y63-F74 HydrophobicContact CE1-CE1 3.79Å; Y63-F74 AromaticContact CE1-CZ 3.88Å; Y63-F74 HydrophobicContact CE1-CZ 3.88Å
64P92.7Very high88.5Confident103 Ų10384.9 Ų84.967%0.66944%0.443SS*.Hα-helixtrans-61.8-22176.4-24.336000114.6F62F62-P64 VanDerWaalsContact C-N 3.31Å; F62-P64 VanDerWaalsContact O-N 3.14Å
65Y93.6Very high90Very high171 Ų17177.3 Ų77.367%0.67141%0.408SS*.Hα-helixtrans-102.1-21.3-175.3-49.4-75.4000113.2F62 Y63F62-Y65 PolarHBondContact O-N 2.91Å; Y63-Y65 PolarHBondContact O-N 3.13Å
66I95.4Very high91.6Very high6 Ų674 Ų743%0.03139%0.385CS..Hα-helixtrans-115-1.3-173.468.4-179.3000114.1F62 Y63 F74 L75 V129 L133F62-I66 HydrophobicContact CB-CD1 4.1Å; F62-I66 WeakPolarHBondContact O-CG1 3.49Å; F62-I66 PolarHBondContact O-N 2.95Å; Y63-I66 HydrophobicContact CD1-CD1 4.23Å; Y63-I66 HydrophobicContact CD1-CG1 4.47Å; Y63-I66 PolarHBondContact O-N 3.34Å; I66-F74 HydrophobicContact CD1-CD1 4.14Å; I66-F74 HydrophobicContact CD1-CE1 3.97Å; I66-F74 HydrophobicContact CG1-CD1 3.99Å; I66-F74 HydrophobicContact CG1-CE1 4.12Å; I66-F74 WeakPolarHBondContact O-CA 3.44Å; I66-L75 WeakPolarHBondContact O-CG 3.18Å; I66-L75 PolarHBondContact O-N 2.99Å; I66-V129 HydrophobicContact CB-CG2 3.98Å; I66-V129 HydrophobicContact CG2-CG2 3.97Å; I66-L133 HydrophobicContact CD1-CD1 4.07Å; I66-L133 HydrophobicContact CD1-CD2 4.19Å; I66-L133 HydrophobicContact CD1-CG 4.28Å
67R96.5Very high92.9Very high112 Ų11269.2 Ų69.242%0.42337%0.365SS..BIsolated β-bridgetrans-104141.2177.5-67.9177.271.21802.2111.9Y63 C72 G73 F74Y63-R67 VanDerWaalsContact O-CB 3.3Å; Y63-R67 WeakPolarHBondContact O-CB 3.31Å; Y63-R67 WeakPolarHBondContact O-CG 3.49Å; Y63-R67 PolarHBondContact O-N 3.32Å; Y63-R67 VanDerWaalsContact O-N 3.16Å; R67-C72 VanDerWaalsContact CZ-O 3.23Å; R67-C72 PolarHBondContact NE-O 2.7Å; R67-C72 PolarHBondContact NH2-O 3.11Å; R67-G73 CarbonylContact C-O 3.6Å; R67-G73 VanDerWaalsContact CA-O 3.24Å; R67-G73 WeakPolarHBondContact CA-O 3.16Å; R67-G73 WeakPolarHBondContact CB-O 3.17Å; R67-F74 HydrophobicContact CG-CD1 3.82Å; R67-F74 HydrophobicContact CG-CE1 4.02Å
68C98.3Very high94.2Very high1 Ų164.3 Ų64.31%0.00734%0.34CS..  trans-79.2126.1173.8-177.80000110.5L70 C72 G73 L75 C89C68-L70 PolarHBondContact O-N 3.31Å; C68-L70 PolarHBondContact SG-N 2.95Å; C68-C72 WeakPolarHBondContact O-CA 3.29Å; C68-C72 PolarHBondContact O-N 2.84Å; C68-G73 PolarHBondContact N-O 3.21Å; C68-L75 HydrophobicContact CB-CD2 3.95Å; C68-C89 VanDerWaalsContact CB-SG 3.52Å; C68-C89 PolarHBondContact SG-N 3.4Å; C68-C89 VanDerWaalsContact SG-N 3.41Å
69A96.5Very high94.9Very high58 Ų5861.7 Ų61.748%0.47932%0.323SS..THydrogen-bonded Turntrans-69.1-15177.700000114.4F88 N105A69-F88 HydrophobicContact CB-CE1 4.17Å; A69-N105 WeakPolarHBondContact CB-OD1 3.33Å
70L97.5Very high95.6Very high65 Ų6560 Ų6034%0.3432%0.315SS..THydrogen-bonded Turntrans-86.7-40.4-179.7-73.7171.6000113.4C68 F88 C92 I93 H96 P104C68-L70 PolarHBondContact O-N 3.31Å; C68-L70 PolarHBondContact SG-N 2.95Å; L70-F88 HydrophobicContact CD1-CB 4.39Å; L70-F88 HydrophobicContact CD1-CD1 3.78Å; L70-F88 HydrophobicContact CD1-CE1 4.38Å; L70-F88 HydrophobicContact CD1-CG 4.2Å; L70-F88 HydrophobicContact CG-CD1 3.79Å; L70-F88 HydrophobicContact CG-CE1 4.14Å; L70-C92 HydrophobicContact CB-CB 3.87Å; L70-C92 HydrophobicContact CD1-CB 3.7Å; L70-C92 HydrophobicContact CG-CB 4.46Å; L70-I93 HydrophobicContact CD1-CD1 4.43Å; L70-H96 HydrophobicContact CD1-CB 4.19Å; L70-P104 HydrophobicContact CD1-CG 4.05Å; L70-P104 HydrophobicContact CD2-CB 3.84Å; L70-P104 HydrophobicContact CD2-CG 3.85Å; L70-P104 HydrophobicContact CG-CB 4.31Å; L70-P104 HydrophobicContact CG-CG 4.13Å
71C97.6Very high96.1Very high63 Ų6355 Ų5543%0.42629%0.288SS..THydrogen-bonded Turntrans-108.7-5.2-179.767.80000113.6G73C71-G73 PolarHBondContact O-N 3.08Å; C71-G73 PolarHBondContact SG-N 3.47Å; C71-G73 VanDerWaalsContact SG-N 3.44Å
72C96.1Very high96.4Very high65 Ų6551.7 Ų51.744%0.43928%0.276SS..SBendtrans58.85.3-174-56.70000114.8R67 C68R67-C72 VanDerWaalsContact CZ-O 3.23Å; R67-C72 PolarHBondContact NE-O 2.7Å; R67-C72 PolarHBondContact NH2-O 3.11Å; C68-C72 WeakPolarHBondContact O-CA 3.29Å; C68-C72 PolarHBondContact O-N 2.84Å
73G96.6Very high96.6Very high29 Ų2953.7 Ų53.730%0.29929%0.286SS..SBendtrans-87.2179.317300000112.8R67 C68 C71R67-G73 CarbonylContact C-O 3.6Å; R67-G73 VanDerWaalsContact CA-O 3.24Å; R67-G73 WeakPolarHBondContact CA-O 3.16Å; R67-G73 WeakPolarHBondContact CB-O 3.17Å; C68-G73 PolarHBondContact N-O 3.21Å; C71-G73 PolarHBondContact O-N 3.08Å; C71-G73 PolarHBondContact SG-N 3.47Å; C71-G73 VanDerWaalsContact SG-N 3.44Å
74F97.6Very high96.9Very high65 Ų6551.3 Ų51.329%0.28528%0.281SS..BIsolated β-bridgetrans-67.5153168.9-62.2-61.8000111.3Y63 I66 R67 I76 L133 L136Y63-F74 AromaticContact CD1-CE1 3.91Å; Y63-F74 HydrophobicContact CD1-CE1 3.91Å; Y63-F74 HydrophobicContact CD1-CZ 4.44Å; Y63-F74 AromaticContact CE1-CE1 3.79Å; Y63-F74 HydrophobicContact CE1-CE1 3.79Å; Y63-F74 AromaticContact CE1-CZ 3.88Å; Y63-F74 HydrophobicContact CE1-CZ 3.88Å; I66-F74 HydrophobicContact CD1-CD1 4.14Å; I66-F74 HydrophobicContact CD1-CE1 3.97Å; I66-F74 HydrophobicContact CG1-CD1 3.99Å; I66-F74 HydrophobicContact CG1-CE1 4.12Å; I66-F74 WeakPolarHBondContact O-CA 3.44Å; R67-F74 HydrophobicContact CG-CD1 3.82Å; R67-F74 HydrophobicContact CG-CE1 4.02Å; F74-I76 PolarHBondContact O-N 3.39Å; F74-L133 HydrophobicContact CB-CD1 3.92Å; F74-L133 HydrophobicContact CD1-CD1 3.34Å; F74-L133 HydrophobicContact CD2-CD1 3.73Å; F74-L133 HydrophobicContact CE1-CD1 3.66Å; F74-L133 HydrophobicContact CE1-CD2 4.02Å; F74-L133 HydrophobicContact CE2-CD1 4.01Å; F74-L133 HydrophobicContact CE2-CD2 4.34Å; F74-L133 HydrophobicContact CG-CD1 3.38Å; F74-L133 HydrophobicContact CZ-CD1 3.98Å; F74-L133 HydrophobicContact CZ-CD2 3.9Å; F74-L136 HydrophobicContact CB-CD2 3.9Å; F74-L136 HydrophobicContact CD2-CD1 4.39Å; F74-L136 HydrophobicContact CG-CD2 4.45Å
75L98.1Very high97.1Very high2 Ų252.7 Ų52.71%0.0128%0.282CS..  trans-63.9122178.7-68.7165.8000110.8I66 C68 A78 T87 F88 L125 Q126 V129I66-L75 WeakPolarHBondContact O-CG 3.18Å; I66-L75 PolarHBondContact O-N 2.99Å; C68-L75 HydrophobicContact CB-CD2 3.95Å; L75-A78 HydrophobicContact CB-CB 4.19Å; L75-A78 HydrophobicContact CD1-CB 4.43Å; L75-T87 HydrophobicContact CD1-CG2 4.16Å; L75-T87 HydrophobicContact CD2-CG2 4.19Å; L75-F88 VanDerWaalsContact CD2-C 3.44Å; L75-L125 HydrophobicContact CD1-CD2 3.75Å; L75-L125 HydrophobicContact CD1-CG 4.15Å; L75-Q126 PolarHBondContact O-NE2 3.43Å; L75-Q126 PolarHBondContact O-OE1 3.48Å; L75-V129 HydrophobicContact CB-CG2 4.25Å; L75-V129 HydrophobicContact CD1-CG2 4.26Å
76I98Very high97.3Very high30 Ų3047.3 Ų47.315%0.15426%0.263CS..SBendtrans-118.7127.8170.4-58.9-60000107.7F74 C89 K90 Y130 L136 E140F74-I76 PolarHBondContact O-N 3.39Å; I76-C89 PolarHBondContact N-SG 3.18Å; I76-C89 VanDerWaalsContact N-SG 3.37Å; I76-C89 WeakPolarHBondContact O-CA 3.47Å; I76-C89 VanDerWaalsContact O-CB 3.23Å; I76-C89 WeakPolarHBondContact O-CB 3.47Å; I76-K90 PolarHBondContact O-N 3.17Å; I76-Y130 HydrophobicContact CD1-CE1 4.02Å; I76-L136 HydrophobicContact CD1-CD1 4.21Å; I76-L136 HydrophobicContact CD1-CD2 4.33Å; I76-L136 HydrophobicContact CD1-CG 4.25Å; I76-E140 HydrophobicContact CD1-CB 4.26Å; I76-E140 HydrophobicContact CD1-CG 4.11Å; I76-E140 HydrophobicContact CG2-CG 3.82Å
77D97.5Very high97.5Very high89 Ų8948.3 Ų48.348%0.47627%0.27SS..SBendtrans47.459.7-167.1-70.2-22.5000111.3T79 K90D77-T79 PolarHBondContact O-N 2.92Å; D77-T79 PolarHBondContact O-OG1 3.44Å; D77-K90 HydrophobicContact CB-CB 3.55Å; D77-K90 HydrophobicContact CB-CD 4.14Å; D77-K90 VanDerWaalsContact O-CB 3.31Å; D77-K90 WeakPolarHBondContact O-CB 3.4Å; D77-K90 PolarHBondContact O-N 3.21Å
78A98.3Very high97.6Very high2 Ų243 Ų432%0.01725%0.25CC..EExtended strand (participates in β ladder)trans-46.6124.6-178.800000110.2L75 T87 D122 L125 Q126L75-A78 HydrophobicContact CB-CB 4.19Å; L75-A78 HydrophobicContact CD1-CB 4.43Å; A78-T87 HydrophobicContact CB-CG2 3.93Å; A78-D122 HydrophobicContact CB-CB 4.27Å; A78-D122 PolarHBondContact O-N 3.4Å; A78-L125 HydrophobicContact CB-CB 4.46Å; A78-L125 HydrophobicContact CB-CD2 4.46Å; A78-L125 HydrophobicContact CB-CG 4.44Å; A78-Q126 HydrophobicContact CB-CB 4.06Å
79T98.4Very high97.6Very high5 Ų543.2 Ų43.23%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-133.2117.7-174.2-640000108.9D77 T87 F88 K90 I93 I119 R120D77-T79 PolarHBondContact O-N 2.92Å; D77-T79 PolarHBondContact O-OG1 3.44Å; T79-T87 WeakPolarHBondContact O-CA 3.38Å; T79-F88 PolarHBondContact N-O 3.44Å; T79-F88 PolarHBondContact O-N 2.81Å; T79-K90 WeakPolarHBondContact OG1-CA 3.42Å; T79-K90 WeakPolarHBondContact OG1-CB 3.28Å; T79-I93 HydrophobicContact CG2-CG2 3.77Å; T79-I119 HydrophobicContact CG2-CB 3.8Å; T79-I119 HydrophobicContact CG2-CD1 3.99Å; T79-I119 HydrophobicContact CG2-CG1 4.34Å; T79-I119 HydrophobicContact CG2-CG2 4.38Å; T79-R120 CarbonylContact C-O 3.51Å; T79-R120 WeakPolarHBondContact CA-O 3.24Å
80T98.3Very high97.7Very high15 Ų1545.7 Ų45.79%0.09225%0.251CS..EExtended strand (participates in β ladder)trans-103.9134.7-172-60.90000110.4L85 T87 I119 R120 D122T80-L85 HydrophobicContact CG2-CB 4.47Å; T80-L85 HydrophobicContact CG2-CD2 4.28Å; T80-T87 VanDerWaalsContact OG1-CG2 3.3Å; T80-T87 WeakPolarHBondContact OG1-CG2 3.36Å; T80-T87 PolarHBondContact OG1-OG1 3.25Å; T80-I119 CarbonylContact O-C 3.59Å; T80-I119 WeakPolarHBondContact O-CA 3.33Å; T80-R120 PolarHBondContact N-O 2.96Å; T80-R120 PolarHBondContact O-N 2.89Å; T80-D122 WeakPolarHBondContact OG1-CB 3.07Å; T80-D122 PolarHBondContact OG1-OD2 3.28Å
81I97.9Very high97.6Very high0 Ų046.8 Ų46.80%026%0.264CS..EExtended strand (participates in β ladder)trans-77124.5171.3-60.6169.4000108.8E83 L85 H86 F88 I93 F97 C103 V110 N118 I119I81-E83 VanDerWaalsContact C-N 3.33Å; I81-E83 HydrophobicContact CG2-CB 4.33Å; I81-E83 PolarHBondContact O-N 3.02Å; I81-L85 VanDerWaalsContact O-CA 3.23Å; I81-L85 WeakPolarHBondContact O-CA 3.3Å; I81-L85 PolarHBondContact O-N 3.41Å; I81-H86 PolarHBondContact N-O 3.35Å; I81-F88 HydrophobicContact CD1-CD2 4.31Å; I81-F88 HydrophobicContact CD1-CE2 3.7Å; I81-F88 HydrophobicContact CG1-CE2 4.4Å; I81-I93 HydrophobicContact CD1-CD1 4.15Å; I81-F97 HydrophobicContact CD1-CZ 4.13Å; I81-F97 HydrophobicContact CG1-CZ 4.29Å; I81-C103 HydrophobicContact CD1-CB 3.95Å; I81-V110 HydrophobicContact CD1-CG2 4.09Å; I81-V110 HydrophobicContact CG2-CB 4.34Å; I81-V110 HydrophobicContact CG2-CG1 3.66Å; I81-V110 HydrophobicContact CG2-CG2 3.86Å; I81-N118 CarbonylContact C-O 3.51Å; I81-N118 WeakPolarHBondContact CA-O 3.45Å; I81-I119 HydrophobicContact CB-CG2 4.4Å; I81-I119 HydrophobicContact CG1-CG2 3.79Å
82T96.8Very high97.7Very high53 Ų5345 Ų4533%0.32525%0.252SS..THydrogen-bonded Turntrans-67.1-33-175.354.90000113.2N118 R120T82-N118 PolarHBondContact N-O 3.27Å; T82-N118 WeakPolarHBondContact OG1-CB 3.42Å; T82-N118 PolarHBondContact OG1-O 3.43Å; T82-R120 HydrophobicContact CG2-CG 3.69Å
83E95.5Very high97.7Very high113 Ų11341.9 Ų41.953%0.52823%0.231SC..THydrogen-bonded Turntrans-73.1-29.1-175.4-59.4-54.3114.400114.1I81 I108 V110 N118I81-E83 VanDerWaalsContact C-N 3.33Å; I81-E83 HydrophobicContact CG2-CB 4.33Å; I81-E83 PolarHBondContact O-N 3.02Å; E83-I108 HydrophobicContact CB-CD1 3.76Å; E83-V110 WeakPolarHBondContact CG-O 3.2Å; E83-N118 HydrophobicContact CG-CB 4.36Å
84C97.3Very high97.8Very high31 Ų3142.5 Ų42.521%0.20923%0.229CC..THydrogen-bonded Turntrans-133.50.8-176.361.50000115.3H86 C103 I108C84-H86 PolarHBondContact O-N 2.88Å; C84-H86 VanDerWaalsContact O-N 3.1Å; C84-H86 PolarHBondContact SG-ND1 3.43Å; C84-H86 VanDerWaalsContact SG-ND1 3.42Å; C84-C103 VanDerWaalsContact SG-SG 3.61Å; C84-I108 HydrophobicContact CB-CD1 3.54Å; C84-I108 HydrophobicContact CB-CG1 4.16Å
85L97.3Very high97.6Very high131 Ų13146.2 Ų46.269%0.68625%0.245SC*.  trans55.825.6179-53.8-179.9000115.1T80 I81T80-L85 HydrophobicContact CG2-CB 4.47Å; T80-L85 HydrophobicContact CG2-CD2 4.28Å; I81-L85 VanDerWaalsContact O-CA 3.23Å; I81-L85 WeakPolarHBondContact O-CA 3.3Å; I81-L85 PolarHBondContact O-N 3.41Å
86H98.3Very high97.5Very high58 Ų5848.3 Ų48.327%0.26925%0.254SS..  trans-84.5136.5169.9-71.7121.2000110I81 C84 F88 N105 C106I81-H86 PolarHBondContact N-O 3.35Å; C84-H86 PolarHBondContact O-N 2.88Å; C84-H86 VanDerWaalsContact O-N 3.1Å; C84-H86 PolarHBondContact SG-ND1 3.43Å; C84-H86 VanDerWaalsContact SG-ND1 3.42Å; H86-F88 HydrophobicContact CB-CE2 3.72Å; H86-F88 HydrophobicContact CB-CZ 4Å; H86-N105 HydrophobicContact CB-CB 4.47Å; H86-N105 PolarHBondContact CD2-ND2 3.36Å; H86-C106 VanDerWaalsContact CE1-SG 3.54Å; H86-C106 PolarHBondContact ND1-SG 3.06Å; H86-C106 VanDerWaalsContact ND1-SG 3.4Å
87T98.4Very high97.3Very high28 Ų2847.8 Ų47.817%0.17225%0.251CS..EExtended strand (participates in β ladder)trans-116.1140.8-173.4-46.60000112L75 A78 T79 T80 L125L75-T87 HydrophobicContact CD1-CG2 4.16Å; L75-T87 HydrophobicContact CD2-CG2 4.19Å; A78-T87 HydrophobicContact CB-CG2 3.93Å; T79-T87 WeakPolarHBondContact O-CA 3.38Å; T80-T87 VanDerWaalsContact OG1-CG2 3.3Å; T80-T87 WeakPolarHBondContact OG1-CG2 3.36Å; T80-T87 PolarHBondContact OG1-OG1 3.25Å; T87-L125 HydrophobicContact CG2-CD2 3.54Å
88F98.6Very high96.8Very high0 Ų050.2 Ų50.20%026%0.258CS..EExtended strand (participates in β ladder)trans-142.7169-177.9-54.7-88.9000110A69 L70 L75 T79 I81 H86 I93 P104 N105A69-F88 HydrophobicContact CB-CE1 4.17Å; L70-F88 HydrophobicContact CD1-CB 4.39Å; L70-F88 HydrophobicContact CD1-CD1 3.78Å; L70-F88 HydrophobicContact CD1-CE1 4.38Å; L70-F88 HydrophobicContact CD1-CG 4.2Å; L70-F88 HydrophobicContact CG-CD1 3.79Å; L70-F88 HydrophobicContact CG-CE1 4.14Å; L75-F88 VanDerWaalsContact CD2-C 3.44Å; T79-F88 PolarHBondContact N-O 3.44Å; T79-F88 PolarHBondContact O-N 2.81Å; I81-F88 HydrophobicContact CD1-CD2 4.31Å; I81-F88 HydrophobicContact CD1-CE2 3.7Å; I81-F88 HydrophobicContact CG1-CE2 4.4Å; H86-F88 HydrophobicContact CB-CE2 3.72Å; H86-F88 HydrophobicContact CB-CZ 4Å; F88-I93 HydrophobicContact CB-CB 3.85Å; F88-I93 HydrophobicContact CB-CG2 4.36Å; F88-I93 HydrophobicContact CD2-CB 4.26Å; F88-I93 HydrophobicContact CD2-CD1 3.83Å; F88-I93 HydrophobicContact CD2-CG1 4.08Å; F88-I93 HydrophobicContact CE2-CD1 4.12Å; F88-I93 HydrophobicContact CG-CB 4.25Å; F88-I93 HydrophobicContact CG-CD1 4.28Å; F88-P104 HydrophobicContact CE1-CB 3.84Å; F88-P104 HydrophobicContact CE1-CG 3.84Å; F88-P104 HydrophobicContact CE2-CG 4.37Å; F88-P104 HydrophobicContact CZ-CB 3.92Å; F88-P104 HydrophobicContact CZ-CG 3.76Å; F88-N105 VanDerWaalsContact CE1-OD1 3.29Å; F88-N105 WeakPolarHBondContact CE1-OD1 3.23Å; F88-N105 HydrophobicContact CZ-CB 4.41Å; F88-N105 WeakPolarHBondContact CZ-OD1 3.2Å
89C98.7Very high96.4Very high5 Ų559.3 Ų59.33%0.03429%0.293CS..EExtended strand (participates in β ladder)trans-64.6142.1167-52.10000110C68 I76 S91 C92 I93C68-C89 VanDerWaalsContact CB-SG 3.52Å; C68-C89 PolarHBondContact SG-N 3.4Å; C68-C89 VanDerWaalsContact SG-N 3.41Å; I76-C89 PolarHBondContact N-SG 3.18Å; I76-C89 VanDerWaalsContact N-SG 3.37Å; I76-C89 WeakPolarHBondContact O-CA 3.47Å; I76-C89 VanDerWaalsContact O-CB 3.23Å; I76-C89 WeakPolarHBondContact O-CB 3.47Å; C89-S91 VanDerWaalsContact C-N 3.34Å; C89-S91 PolarHBondContact O-N 3.36Å; C89-C92 HydrophobicContact CB-CB 4.07Å; C89-C92 WeakPolarHBondContact O-CB 3.14Å; C89-C92 PolarHBondContact O-N 3.11Å; C89-I93 PolarHBondContact O-N 2.79Å
90K98Very high96Very high111 Ų11161 Ų6148%0.48331%0.305SS..Hα-helixtrans-50.5-52.3178.9178.8-177.9174.5-171.50112.4I76 D77 T79 C92 V94I76-K90 PolarHBondContact O-N 3.17Å; D77-K90 HydrophobicContact CB-CB 3.55Å; D77-K90 HydrophobicContact CB-CD 4.14Å; D77-K90 VanDerWaalsContact O-CB 3.31Å; D77-K90 WeakPolarHBondContact O-CB 3.4Å; D77-K90 PolarHBondContact O-N 3.21Å; T79-K90 WeakPolarHBondContact OG1-CA 3.42Å; T79-K90 WeakPolarHBondContact OG1-CB 3.28Å; K90-C92 VanDerWaalsContact C-N 3.28Å; K90-C92 PolarHBondContact O-N 2.96Å; K90-V94 HydrophobicContact CG-CG2 4.38Å; K90-V94 VanDerWaalsContact O-CB 3.27Å; K90-V94 WeakPolarHBondContact O-CB 3.15Å; K90-V94 WeakPolarHBondContact O-CG2 3.24Å; K90-V94 PolarHBondContact O-N 2.86Å
91S97.1Very high95.8Very high88 Ų8862.7 Ų62.762%0.61531%0.313SS*.Hα-helixtrans-61.7-37-179.257.90000112.1C89 K95C89-S91 VanDerWaalsContact C-N 3.34Å; C89-S91 PolarHBondContact O-N 3.36Å; S91-K95 WeakPolarHBondContact O-CB 3.38Å; S91-K95 PolarHBondContact O-N 2.72Å
92C98.3Very high95.7Very high24 Ų2468.7 Ų68.716%0.16234%0.336CS..Hα-helixtrans-68.2-52.5179.6-640000112.2L70 C89 K90 K95 H96L70-C92 HydrophobicContact CB-CB 3.87Å; L70-C92 HydrophobicContact CD1-CB 3.7Å; L70-C92 HydrophobicContact CG-CB 4.46Å; C89-C92 HydrophobicContact CB-CB 4.07Å; C89-C92 WeakPolarHBondContact O-CB 3.14Å; C89-C92 PolarHBondContact O-N 3.11Å; K90-C92 VanDerWaalsContact C-N 3.28Å; K90-C92 PolarHBondContact O-N 2.96Å; C92-K95 PolarHBondContact O-N 2.92Å; C92-H96 PolarHBondContact O-N 3.29Å
93I97.8Very high95.7Very high0 Ų066.2 Ų66.20%032%0.321CS..Hα-helixtrans-71.6-36.5-176.2-168.759.2000112.3L70 T79 I81 F88 C89 K95 H96 F97 P104 I119L70-I93 HydrophobicContact CD1-CD1 4.43Å; T79-I93 HydrophobicContact CG2-CG2 3.77Å; I81-I93 HydrophobicContact CD1-CD1 4.15Å; F88-I93 HydrophobicContact CB-CB 3.85Å; F88-I93 HydrophobicContact CB-CG2 4.36Å; F88-I93 HydrophobicContact CD2-CB 4.26Å; F88-I93 HydrophobicContact CD2-CD1 3.83Å; F88-I93 HydrophobicContact CD2-CG1 4.08Å; F88-I93 HydrophobicContact CE2-CD1 4.12Å; F88-I93 HydrophobicContact CG-CB 4.25Å; F88-I93 HydrophobicContact CG-CD1 4.28Å; C89-I93 PolarHBondContact O-N 2.79Å; I93-K95 VanDerWaalsContact C-N 3.31Å; I93-K95 PolarHBondContact O-N 2.9Å; I93-H96 HydrophobicContact CD1-CB 4.45Å; I93-H96 PolarHBondContact O-N 2.89Å; I93-F97 HydrophobicContact CD1-CD1 4.32Å; I93-F97 HydrophobicContact CD1-CE1 3.81Å; I93-F97 HydrophobicContact CD1-CE2 4.14Å; I93-F97 HydrophobicContact CD1-CZ 3.7Å; I93-F97 HydrophobicContact CG1-CD2 4.21Å; I93-F97 HydrophobicContact CG1-CE1 4.35Å; I93-F97 HydrophobicContact CG1-CE2 3.77Å; I93-F97 HydrophobicContact CG1-CZ 3.84Å; I93-F97 WeakPolarHBondContact O-CG 3.28Å; I93-F97 PolarHBondContact O-N 3.24Å; I93-P104 HydrophobicContact CD1-CG 3.93Å; I93-I119 HydrophobicContact CG1-CG2 4.49Å; I93-I119 HydrophobicContact CG2-CD1 4.45Å
94V96.8Very high95.8Very high42 Ų4262.8 Ų62.826%0.25531%0.309SS..Hα-helixtrans-61.9-42.8172.61730000110K90 H96 F97 F98 L116 I119K90-V94 HydrophobicContact CG-CG2 4.38Å; K90-V94 VanDerWaalsContact O-CB 3.27Å; K90-V94 WeakPolarHBondContact O-CB 3.15Å; K90-V94 WeakPolarHBondContact O-CG2 3.24Å; K90-V94 PolarHBondContact O-N 2.86Å; V94-H96 PolarHBondContact O-N 3.19Å; V94-F97 PolarHBondContact O-N 3.19Å; V94-F98 HydrophobicContact CG1-CE2 4.01Å; V94-F98 WeakPolarHBondContact O-CD2 3.37Å; V94-F98 WeakPolarHBondContact O-CE2 3.15Å; V94-L116 HydrophobicContact CB-CD2 4.45Å; V94-L116 HydrophobicContact CG1-CD2 4.27Å; V94-L116 HydrophobicContact CG2-CD2 4.03Å; V94-I119 HydrophobicContact CG2-CD1 4.14Å
95K94.9Very high95.7Very high143 Ų14364.8 Ų64.862%0.62232%0.317SS*.Hα-helixtrans-61.1-43.6175.6-173.7177.7178.6-177.30112.4S91 C92 I93 F97 F98S91-K95 WeakPolarHBondContact O-CB 3.38Å; S91-K95 PolarHBondContact O-N 2.72Å; C92-K95 PolarHBondContact O-N 2.92Å; I93-K95 VanDerWaalsContact C-N 3.31Å; I93-K95 PolarHBondContact O-N 2.9Å; K95-F97 VanDerWaalsContact C-N 3.31Å; K95-F97 PolarHBondContact O-N 3.35Å; K95-F98 PolarHBondContact O-N 3.14Å
96H94.6Very high95.7Very high46 Ų4661 Ų6121%0.21330%0.301CS..Hα-helixtrans-61.1-40.3178.7176.777.7000112.2L70 C92 I93 V94 F98 Y99 S100 R102L70-H96 HydrophobicContact CD1-CB 4.19Å; C92-H96 PolarHBondContact O-N 3.29Å; I93-H96 HydrophobicContact CD1-CB 4.45Å; I93-H96 PolarHBondContact O-N 2.89Å; V94-H96 PolarHBondContact O-N 3.19Å; H96-F98 PolarHBondContact O-N 3.02Å; H96-Y99 PolarHBondContact O-N 3.45Å; H96-S100 PolarHBondContact O-N 3.35Å; H96-S100 VanDerWaalsContact O-N 3.14Å; H96-R102 PolarHBondContact NE2-O 3.47Å
97F94.6Very high95.6Very high19 Ų1961.4 Ų61.48%0.08331%0.31CS..THydrogen-bonded Turntrans-70.6-6.9-178.9-73.9-16.3000116.1I81 I93 V94 K95 S100 V110 P115 L116 I119I81-F97 HydrophobicContact CD1-CZ 4.13Å; I81-F97 HydrophobicContact CG1-CZ 4.29Å; I93-F97 HydrophobicContact CD1-CD1 4.32Å; I93-F97 HydrophobicContact CD1-CE1 3.81Å; I93-F97 HydrophobicContact CD1-CE2 4.14Å; I93-F97 HydrophobicContact CD1-CZ 3.7Å; I93-F97 HydrophobicContact CG1-CD2 4.21Å; I93-F97 HydrophobicContact CG1-CE1 4.35Å; I93-F97 HydrophobicContact CG1-CE2 3.77Å; I93-F97 HydrophobicContact CG1-CZ 3.84Å; I93-F97 WeakPolarHBondContact O-CG 3.28Å; I93-F97 PolarHBondContact O-N 3.24Å; V94-F97 PolarHBondContact O-N 3.19Å; K95-F97 VanDerWaalsContact C-N 3.31Å; K95-F97 PolarHBondContact O-N 3.35Å; F97-S100 WeakPolarHBondContact CA-O 3.29Å; F97-S100 VanDerWaalsContact CD1-O 3.23Å; F97-S100 WeakPolarHBondContact CD1-O 3.44Å; F97-V110 HydrophobicContact CE1-CB 4.42Å; F97-V110 HydrophobicContact CE1-CG2 4.06Å; F97-V110 HydrophobicContact CE2-CG1 4.35Å; F97-V110 HydrophobicContact CZ-CB 4.09Å; F97-V110 HydrophobicContact CZ-CG1 3.89Å; F97-V110 HydrophobicContact CZ-CG2 3.85Å; F97-P115 HydrophobicContact CB-CB 4.33Å; F97-P115 HydrophobicContact CB-CG 3.79Å; F97-P115 HydrophobicContact CD1-CB 3.87Å; F97-P115 HydrophobicContact CD1-CG 4.11Å; F97-P115 HydrophobicContact CD2-CB 3.69Å; F97-P115 HydrophobicContact CD2-CG 4.05Å; F97-P115 HydrophobicContact CE1-CB 4.02Å; F97-P115 HydrophobicContact CE2-CB 3.82Å; F97-P115 HydrophobicContact CG-CB 3.71Å; F97-P115 HydrophobicContact CG-CG 3.74Å; F97-P115 HydrophobicContact CZ-CB 4Å; F97-L116 HydrophobicContact CB-CD2 4.45Å; F97-L116 HydrophobicContact CD2-CD2 4.08Å; F97-I119 HydrophobicContact CE2-CD1 4.45Å; F97-I119 HydrophobicContact CE2-CG2 3.6Å; F97-I119 HydrophobicContact CZ-CG2 4.27Å
98F87.9Confident95.3Very high140 Ų14063.1 Ų63.161%0.61432%0.318SS*.THydrogen-bonded Turntrans-71.1-21.2165.9-71.4-77.2000113.1V94 K95 H96V94-F98 HydrophobicContact CG1-CE2 4.01Å; V94-F98 WeakPolarHBondContact O-CD2 3.37Å; V94-F98 WeakPolarHBondContact O-CE2 3.15Å; K95-F98 PolarHBondContact O-N 3.14Å; H96-F98 PolarHBondContact O-N 3.02Å
99Y88.4Confident95.1Very high194 Ų19465.6 Ų65.676%0.76133%0.333SS*.THydrogen-bonded Turntrans-120.8-18.8-173.5-53.3-77.4000113.8H96H96-Y99 PolarHBondContact O-N 3.45Å
100S91.6Very high94.8Very high40 Ų4065.4 Ų65.428%0.2833%0.332SS..  trans-147.5137-177.8176.80000110.9H96 F97 R102H96-S100 PolarHBondContact O-N 3.35Å; H96-S100 VanDerWaalsContact O-N 3.14Å; F97-S100 WeakPolarHBondContact CA-O 3.29Å; F97-S100 VanDerWaalsContact CD1-O 3.23Å; F97-S100 WeakPolarHBondContact CD1-O 3.44Å; S100-R102 VanDerWaalsContact C-N 3.28Å; S100-R102 PolarHBondContact OG-N 3.06Å
101N92.1Very high94.6Very high51 Ų5162.7 Ų62.727%0.27332%0.321SS..SBendtrans-91.212.9172.467.1-3.3000113V110 H111 Q112 P115N101-V110 PolarHBondContact O-N 3.49Å; N101-H111 PolarHBondContact ND2-O 3.29Å; N101-Q112 PolarHBondContact ND2-O 2.96Å; N101-Q112 VanDerWaalsContact ND2-O 3.13Å; N101-P115 HydrophobicContact CB-CB 4.42Å; N101-P115 HydrophobicContact CB-CG 4.23Å
102R95.8Very high93.8Very high125 Ų12565.7 Ų65.747%0.47233%0.325SS..BIsolated β-bridgetrans-107.4146.1-177-69179.8169.4-126.68.4112.5H96 S100 S107 I108 V109H96-R102 PolarHBondContact NE2-O 3.47Å; S100-R102 VanDerWaalsContact C-N 3.28Å; S100-R102 PolarHBondContact OG-N 3.06Å; R102-S107 WeakPolarHBondContact CD-O 3.48Å; R102-S107 PolarHBondContact NH1-O 3.28Å; R102-I108 CarbonylContact C-O 3.58Å; R102-I108 WeakPolarHBondContact CA-O 3.15Å; R102-V109 HydrophobicContact CG-CG2 4.06Å
103C97.7Very high92.8Very high2 Ų269.1 Ų69.11%0.01435%0.345CS..  trans-61.4131.8175.4176.80000110.7I81 C84 N105 S107 I108 V110I81-C103 HydrophobicContact CD1-CB 3.95Å; C84-C103 VanDerWaalsContact SG-SG 3.61Å; C103-N105 VanDerWaalsContact C-N 3.25Å; C103-N105 PolarHBondContact O-N 3.04Å; C103-N105 PolarHBondContact SG-N 3.01Å; C103-N105 VanDerWaalsContact SG-N 3.43Å; C103-S107 WeakPolarHBondContact O-CA 3.44Å; C103-S107 PolarHBondContact O-N 3.03Å; C103-I108 HydrophobicContact CB-CG1 4.11Å; C103-I108 PolarHBondContact N-O 2.96Å; C103-V110 HydrophobicContact CB-CG2 4.09Å
104P97.1Very high92.2Very high41 Ų4171.3 Ų71.327%0.26636%0.355SS..THydrogen-bonded Turntrans-59.3-30.7176.8-23.630.9000114.7L70 F88 I93L70-P104 HydrophobicContact CD1-CG 4.05Å; L70-P104 HydrophobicContact CD2-CB 3.84Å; L70-P104 HydrophobicContact CD2-CG 3.85Å; L70-P104 HydrophobicContact CG-CB 4.31Å; L70-P104 HydrophobicContact CG-CG 4.13Å; F88-P104 HydrophobicContact CE1-CB 3.84Å; F88-P104 HydrophobicContact CE1-CG 3.84Å; F88-P104 HydrophobicContact CE2-CG 4.37Å; F88-P104 HydrophobicContact CZ-CB 3.92Å; F88-P104 HydrophobicContact CZ-CG 3.76Å; I93-P104 HydrophobicContact CD1-CG 3.93Å
105N96.6Very high91.7Very high72 Ų7269.8 Ų69.839%0.38535%0.347SS..THydrogen-bonded Turntrans-87.5-48.4-174.7-7623.3000112.9A69 H86 F88 C103A69-N105 WeakPolarHBondContact CB-OD1 3.33Å; H86-N105 HydrophobicContact CB-CB 4.47Å; H86-N105 PolarHBondContact CD2-ND2 3.36Å; F88-N105 VanDerWaalsContact CE1-OD1 3.29Å; F88-N105 WeakPolarHBondContact CE1-OD1 3.23Å; F88-N105 HydrophobicContact CZ-CB 4.41Å; F88-N105 WeakPolarHBondContact CZ-OD1 3.2Å; C103-N105 VanDerWaalsContact C-N 3.25Å; C103-N105 PolarHBondContact O-N 3.04Å; C103-N105 PolarHBondContact SG-N 3.01Å; C103-N105 VanDerWaalsContact SG-N 3.43Å
106C97.3Very high91.6Very high51 Ų5166.3 Ų66.335%0.34533%0.334SS..THydrogen-bonded Turntrans-114.91.2-172.760.80000114.3H86 I108H86-C106 VanDerWaalsContact CE1-SG 3.54Å; H86-C106 PolarHBondContact ND1-SG 3.06Å; H86-C106 VanDerWaalsContact ND1-SG 3.4Å; C106-I108 HydrophobicContact CB-CG2 4.49Å; C106-I108 PolarHBondContact O-N 3.32Å
107S95.2Very high91.4Very high67 Ų6769.3 Ų69.347%0.46934%0.344SS..  trans59.211.1175.5-60.90000116.3R102 C103R102-S107 WeakPolarHBondContact CD-O 3.48Å; R102-S107 PolarHBondContact NH1-O 3.28Å; C103-S107 WeakPolarHBondContact O-CA 3.44Å; C103-S107 PolarHBondContact O-N 3.03Å
108I93.3Very high91.3Very high64 Ų6470 Ų7033%0.32835%0.349SS..  trans-65.1149.6171.772.2158.1000110.1E83 C84 R102 C103 C106 V110E83-I108 HydrophobicContact CB-CD1 3.76Å; C84-I108 HydrophobicContact CB-CD1 3.54Å; C84-I108 HydrophobicContact CB-CG1 4.16Å; R102-I108 CarbonylContact C-O 3.58Å; R102-I108 WeakPolarHBondContact CA-O 3.15Å; C103-I108 HydrophobicContact CB-CG1 4.11Å; C103-I108 PolarHBondContact N-O 2.96Å; C106-I108 HydrophobicContact CB-CG2 4.49Å; C106-I108 PolarHBondContact O-N 3.32Å; I108-V110 PolarHBondContact O-N 3.39Å
109V93.3Very high91.7Very high52 Ų5264.3 Ų64.332%0.31533%0.325SS..BIsolated β-bridgetrans-73.8115.1172.1178.30000108.4R102 H111R102-V109 HydrophobicContact CG-CG2 4.06Å; V109-H111 WeakPolarHBondContact CG1-O 3.29Å
110V93.3Very high92.1Very high2 Ų261.3 Ų61.31%0.01231%0.312CS..SBendtrans-73.2-39.3-176.5174.30000111.1I81 E83 F97 N101 C103 I108 P115 N118I81-V110 HydrophobicContact CD1-CG2 4.09Å; I81-V110 HydrophobicContact CG2-CB 4.34Å; I81-V110 HydrophobicContact CG2-CG1 3.66Å; I81-V110 HydrophobicContact CG2-CG2 3.86Å; E83-V110 WeakPolarHBondContact CG-O 3.2Å; F97-V110 HydrophobicContact CE1-CB 4.42Å; F97-V110 HydrophobicContact CE1-CG2 4.06Å; F97-V110 HydrophobicContact CE2-CG1 4.35Å; F97-V110 HydrophobicContact CZ-CB 4.09Å; F97-V110 HydrophobicContact CZ-CG1 3.89Å; F97-V110 HydrophobicContact CZ-CG2 3.85Å; N101-V110 PolarHBondContact O-N 3.49Å; C103-V110 HydrophobicContact CB-CG2 4.09Å; I108-V110 PolarHBondContact O-N 3.39Å; V110-P115 HydrophobicContact CB-CB 4.25Å; V110-P115 HydrophobicContact CG1-CB 4.24Å; V110-N118 HydrophobicContact CG1-CB 3.81Å; V110-N118 PolarHBondContact O-ND2 2.92Å
111H93Very high92.4Very high54 Ų5464 Ų6425%0.2533%0.329CS..  trans-158.6149.3171.1-172.1-71.5000108.3N101 V109 T113 Q114N101-H111 PolarHBondContact ND2-O 3.29Å; V109-H111 WeakPolarHBondContact CG1-O 3.29Å; H111-T113 PolarHBondContact CE1-OG1 3.17Å; H111-T113 PolarHBondContact ND1-N 3.43Å; H111-Q114 WeakPolarHBondContact CB-O 3.37Å; H111-Q114 VanDerWaalsContact CG-O 3.29Å; H111-Q114 PolarHBondContact ND1-N 2.83Å
112Q79.7Confident92.7Very high150 Ų15063.7 Ų63.770%0.70133%0.327SS*.SBendtrans-59.7-50.9-177.3-63.1-64.1-11.700112.7N101N101-Q112 PolarHBondContact ND2-O 2.96Å; N101-Q112 VanDerWaalsContact ND2-O 3.13Å
113T78.8Confident92.8Very high97 Ų9767.1 Ų67.160%0.59534%0.34SS*.SBendtrans-116.6-30.3-176.652.30000115.3H111H111-T113 PolarHBondContact CE1-OG1 3.17Å; H111-T113 PolarHBondContact ND1-N 3.43Å
114Q84.6Confident92.7Very high45 Ų4574.4 Ų74.421%0.2137%0.374CS..  trans-134.978-169.1-66.5-169.444.900111.6H111 L116 Y117H111-Q114 WeakPolarHBondContact CB-O 3.37Å; H111-Q114 VanDerWaalsContact CG-O 3.29Å; H111-Q114 PolarHBondContact ND1-N 2.83Å; Q114-L116 PolarHBondContact O-N 3.48Å; Q114-L116 VanDerWaalsContact O-N 3.15Å; Q114-Y117 HydrophobicContact CB-CD2 3.53Å; Q114-Y117 HydrophobicContact CB-CE2 4.02Å; Q114-Y117 HydrophobicContact CG-CD2 4.37Å; Q114-Y117 HydrophobicContact CG-CE2 4.39Å; Q114-Y117 PolarHBondContact O-N 3.37Å; Q114-Y117 VanDerWaalsContact O-N 3.11Å
115P85.4Confident92.8Very high11 Ų1174 Ų747%0.07137%0.369CS..G310 helixtrans-61.3-22.6-176.626.3-36.9000114.1F97 N101 V110 Y117 N118F97-P115 HydrophobicContact CB-CB 4.33Å; F97-P115 HydrophobicContact CB-CG 3.79Å; F97-P115 HydrophobicContact CD1-CB 3.87Å; F97-P115 HydrophobicContact CD1-CG 4.11Å; F97-P115 HydrophobicContact CD2-CB 3.69Å; F97-P115 HydrophobicContact CD2-CG 4.05Å; F97-P115 HydrophobicContact CE1-CB 4.02Å; F97-P115 HydrophobicContact CE2-CB 3.82Å; F97-P115 HydrophobicContact CG-CB 3.71Å; F97-P115 HydrophobicContact CG-CG 3.74Å; F97-P115 HydrophobicContact CZ-CB 4Å; N101-P115 HydrophobicContact CB-CB 4.42Å; N101-P115 HydrophobicContact CB-CG 4.23Å; V110-P115 HydrophobicContact CB-CB 4.25Å; V110-P115 HydrophobicContact CG1-CB 4.24Å; P115-Y117 PolarHBondContact O-N 3.31Å; P115-N118 PolarHBondContact O-N 3.41Å
116L92.4Very high92.8Very high70 Ų7071.1 Ų71.137%0.36635%0.353SS..G310 helixtrans-63.7-24174.8-63.1175.6000113.8V94 F97 Q114 N118 I119V94-L116 HydrophobicContact CB-CD2 4.45Å; V94-L116 HydrophobicContact CG1-CD2 4.27Å; V94-L116 HydrophobicContact CG2-CD2 4.03Å; F97-L116 HydrophobicContact CB-CD2 4.45Å; F97-L116 HydrophobicContact CD2-CD2 4.08Å; Q114-L116 PolarHBondContact O-N 3.48Å; Q114-L116 VanDerWaalsContact O-N 3.15Å; L116-N118 PolarHBondContact O-N 3.04Å; L116-I119 HydrophobicContact CD2-CD1 3.78Å; L116-I119 VanDerWaalsContact O-CG1 3.26Å; L116-I119 WeakPolarHBondContact O-CG1 3.03Å
117Y90.6Very high92.8Very high108 Ų10872.8 Ų72.842%0.42436%0.359SS..G310 helixtrans-68.1-22.5176.6-87.4-61.7000113.6Q114 P115 R120 F183Q114-Y117 HydrophobicContact CB-CD2 3.53Å; Q114-Y117 HydrophobicContact CB-CE2 4.02Å; Q114-Y117 HydrophobicContact CG-CD2 4.37Å; Q114-Y117 HydrophobicContact CG-CE2 4.39Å; Q114-Y117 PolarHBondContact O-N 3.37Å; Q114-Y117 VanDerWaalsContact O-N 3.11Å; P115-Y117 PolarHBondContact O-N 3.31Å; Y117-R120 PolarHBondContact O-NH1 3.15Å; Y117-R120 PolarHBondContact O-NH2 3.45Å; Y117-F183 HydrophobicContact CD1-CE2 4.48Å; Y117-F183 AromaticContact CD1-CZ 3.82Å; Y117-F183 HydrophobicContact CD1-CZ 3.82Å; Y117-F183 HydrophobicContact CD2-CZ 4.26Å; Y117-F183 AromaticContact CE1-CE1 4Å; Y117-F183 HydrophobicContact CE1-CE1 4Å; Y117-F183 AromaticContact CE1-CE2 3.87Å; Y117-F183 HydrophobicContact CE1-CE2 3.87Å; Y117-F183 AromaticContact CE1-CZ 3.17Å; Y117-F183 HydrophobicContact CE1-CZ 3.17Å; Y117-F183 AromaticContact CE2-CE1 3.82Å; Y117-F183 HydrophobicContact CE2-CE1 3.82Å; Y117-F183 AromaticContact CE2-CZ 3.72Å; Y117-F183 HydrophobicContact CE2-CZ 3.72Å; Y117-F183 HydrophobicContact CG-CZ 4.29Å; Y117-F183 AromaticContact CZ-CE1 3.4Å; Y117-F183 VanDerWaalsContact CZ-CE1 3.4Å; Y117-F183 AromaticContact CZ-CZ 3.08Å; Y117-F183 WeakPolarHBondContact OH-CE1 3.5Å; Y117-F183 VanDerWaalsContact OH-CZ 3.23Å; Y117-F183 WeakPolarHBondContact OH-CZ 3.43Å
118N93.6Very high92.8Very high34 Ų3473.9 Ų73.918%0.18236%0.359CS..G310 helixtrans-110.926.8-173.5-73.3-3.7000112.2I81 T82 E83 V110 P115 L116I81-N118 CarbonylContact C-O 3.51Å; I81-N118 WeakPolarHBondContact CA-O 3.45Å; T82-N118 PolarHBondContact N-O 3.27Å; T82-N118 WeakPolarHBondContact OG1-CB 3.42Å; T82-N118 PolarHBondContact OG1-O 3.43Å; E83-N118 HydrophobicContact CG-CB 4.36Å; V110-N118 HydrophobicContact CG1-CB 3.81Å; V110-N118 PolarHBondContact O-ND2 2.92Å; P115-N118 PolarHBondContact O-N 3.41Å; L116-N118 PolarHBondContact O-N 3.04Å
119I96.6Very high92.9Very high20 Ų2070.9 Ų70.910%0.10334%0.343CS..EExtended strand (participates in β ladder)trans-119.3145.6166.953169.9000111.4T79 T80 I81 I93 V94 F97 L116T79-I119 HydrophobicContact CG2-CB 3.8Å; T79-I119 HydrophobicContact CG2-CD1 3.99Å; T79-I119 HydrophobicContact CG2-CG1 4.34Å; T79-I119 HydrophobicContact CG2-CG2 4.38Å; T80-I119 CarbonylContact O-C 3.59Å; T80-I119 WeakPolarHBondContact O-CA 3.33Å; I81-I119 HydrophobicContact CB-CG2 4.4Å; I81-I119 HydrophobicContact CG1-CG2 3.79Å; I93-I119 HydrophobicContact CG1-CG2 4.49Å; I93-I119 HydrophobicContact CG2-CD1 4.45Å; V94-I119 HydrophobicContact CG2-CD1 4.14Å; F97-I119 HydrophobicContact CE2-CD1 4.45Å; F97-I119 HydrophobicContact CE2-CG2 3.6Å; F97-I119 HydrophobicContact CZ-CG2 4.27Å; L116-I119 HydrophobicContact CD2-CD1 3.78Å; L116-I119 VanDerWaalsContact O-CG1 3.26Å; L116-I119 WeakPolarHBondContact O-CG1 3.03Å
120R97.1Very high93.1Very high132 Ų13270.3 Ų70.350%0.49834%0.335SS..EExtended strand (participates in β ladder)trans-134.1140.2179.1-62.4-67.4177.5-91.7-6110T79 T80 T82 Y117 D122T79-R120 CarbonylContact C-O 3.51Å; T79-R120 WeakPolarHBondContact CA-O 3.24Å; T80-R120 PolarHBondContact N-O 2.96Å; T80-R120 PolarHBondContact O-N 2.89Å; T82-R120 HydrophobicContact CG2-CG 3.69Å; Y117-R120 PolarHBondContact O-NH1 3.15Å; Y117-R120 PolarHBondContact O-NH2 3.45Å; R120-D122 PolarHBondContact O-N 3.16Å
121P97.8Very high93.1Very high96 Ų9678.7 Ų78.762%0.62337%0.372SS*.EExtended strand (participates in β ladder)trans-60.6128.2168-19.832000110R123P121-R123 PolarHBondContact O-N 3.18Å
122D98.1Very high93Very high44 Ų4478.4 Ų78.424%0.23537%0.371CS..  trans-10081178.6-162.1-32.5000109.2A78 T80 R120 Q124 L125 Q126A78-D122 HydrophobicContact CB-CB 4.27Å; A78-D122 PolarHBondContact O-N 3.4Å; T80-D122 WeakPolarHBondContact OG1-CB 3.07Å; T80-D122 PolarHBondContact OG1-OD2 3.28Å; R120-D122 PolarHBondContact O-N 3.16Å; D122-Q124 VanDerWaalsContact C-N 3.28Å; D122-Q124 PolarHBondContact O-N 2.89Å; D122-L125 HydrophobicContact CB-CB 4.1Å; D122-L125 VanDerWaalsContact CG-CB 3.45Å; D122-L125 PolarHBondContact O-N 3.44Å; D122-L125 VanDerWaalsContact OD1-CB 3.28Å; D122-L125 WeakPolarHBondContact OD1-CB 3.27Å; D122-L125 PolarHBondContact OD1-N 3.23Å; D122-Q126 WeakPolarHBondContact O-CB 3.23Å; D122-Q126 PolarHBondContact O-N 3.45Å
123R96.8Very high93.6Very high198 Ų19871.7 Ų71.775%0.74734%0.34SS*.Hα-helixtrans-63.1-38.1-176-63.6-176.1-178.7179.3-0.3111.7P121 Q126 D127P121-R123 PolarHBondContact O-N 3.18Å; R123-Q126 PolarHBondContact O-N 2.87Å; R123-D127 WeakPolarHBondContact O-CB 3.1Å; R123-D127 PolarHBondContact O-N 2.88Å
124Q97.2Very high94.1Very high154 Ų15471.7 Ų71.772%0.7234%0.342SS*.Hα-helixtrans-67.2-45.2-179.1-63.8-175.5-72.400111D122 Q126 D127 I128D122-Q124 VanDerWaalsContact C-N 3.28Å; D122-Q124 PolarHBondContact O-N 2.89Å; Q124-Q126 VanDerWaalsContact C-N 3.33Å; Q124-Q126 PolarHBondContact O-N 2.82Å; Q124-D127 PolarHBondContact O-N 2.73Å; Q124-I128 VanDerWaalsContact O-CG1 3.26Å; Q124-I128 WeakPolarHBondContact O-CG1 3.16Å; Q124-I128 PolarHBondContact O-N 3.31Å
125L97.4Very high94.5Very high33 Ų3375.7 Ų75.717%0.17336%0.36CS..Hα-helixtrans-63.8-41174.7-17758.5000111.3L75 A78 T87 D122 D127 I128 V129L75-L125 HydrophobicContact CD1-CD2 3.75Å; L75-L125 HydrophobicContact CD1-CG 4.15Å; A78-L125 HydrophobicContact CB-CB 4.46Å; A78-L125 HydrophobicContact CB-CD2 4.46Å; A78-L125 HydrophobicContact CB-CG 4.44Å; T87-L125 HydrophobicContact CG2-CD2 3.54Å; D122-L125 HydrophobicContact CB-CB 4.1Å; D122-L125 VanDerWaalsContact CG-CB 3.45Å; D122-L125 PolarHBondContact O-N 3.44Å; D122-L125 VanDerWaalsContact OD1-CB 3.28Å; D122-L125 WeakPolarHBondContact OD1-CB 3.27Å; D122-L125 PolarHBondContact OD1-N 3.23Å; L125-D127 VanDerWaalsContact C-N 3.34Å; L125-D127 PolarHBondContact O-N 3.47Å; L125-I128 PolarHBondContact O-N 2.88Å; L125-V129 HydrophobicContact CD1-CG2 4.3Å; L125-V129 HydrophobicContact CG-CG2 4.37Å; L125-V129 WeakPolarHBondContact O-CG2 3.47Å; L125-V129 PolarHBondContact O-N 3.24Å
126Q97.9Very high94.9Very high12 Ų1276.1 Ų76.16%0.05636%0.362CS..Hα-helixtrans-60.6-43.8176.3-170.76057.700112.2L75 A78 D122 R123 Q124 I128 V129 Y130L75-Q126 PolarHBondContact O-NE2 3.43Å; L75-Q126 PolarHBondContact O-OE1 3.48Å; A78-Q126 HydrophobicContact CB-CB 4.06Å; D122-Q126 WeakPolarHBondContact O-CB 3.23Å; D122-Q126 PolarHBondContact O-N 3.45Å; R123-Q126 PolarHBondContact O-N 2.87Å; Q124-Q126 VanDerWaalsContact C-N 3.33Å; Q124-Q126 PolarHBondContact O-N 2.82Å; Q126-I128 VanDerWaalsContact C-N 3.31Å; Q126-I128 PolarHBondContact O-N 3.49Å; Q126-V129 PolarHBondContact O-N 3.38Å; Q126-Y130 HydrophobicContact CG-CD2 4.01Å; Q126-Y130 HydrophobicContact CG-CE2 3.67Å; Q126-Y130 PolarHBondContact O-N 3.41Å
127D96.6Very high95.1Very high85 Ų8577.9 Ų77.946%0.45537%0.368SS..Hα-helixtrans-62.9-39.2177.2-67.4-15.2000111.3R123 Q124 L125 K131R123-D127 WeakPolarHBondContact O-CB 3.1Å; R123-D127 PolarHBondContact O-N 2.88Å; Q124-D127 PolarHBondContact O-N 2.73Å; L125-D127 VanDerWaalsContact C-N 3.34Å; L125-D127 PolarHBondContact O-N 3.47Å; D127-K131 WeakPolarHBondContact O-CB 3.44Å; D127-K131 VanDerWaalsContact O-CG 3.24Å; D127-K131 WeakPolarHBondContact O-CG 3.37Å; D127-K131 PolarHBondContact O-N 2.93Å
128I95.5Very high95.3Very high91 Ų9178.3 Ų78.347%0.46737%0.374SS..Hα-helixtrans-62.6-48174-69.5164.1000109.9Q124 L125 Q126 Y130 K131 M132Q124-I128 VanDerWaalsContact O-CG1 3.26Å; Q124-I128 WeakPolarHBondContact O-CG1 3.16Å; Q124-I128 PolarHBondContact O-N 3.31Å; L125-I128 PolarHBondContact O-N 2.88Å; Q126-I128 VanDerWaalsContact C-N 3.31Å; Q126-I128 PolarHBondContact O-N 3.49Å; I128-Y130 VanDerWaalsContact C-N 3.34Å; I128-Y130 PolarHBondContact O-N 3.09Å; I128-K131 PolarHBondContact O-N 3.27Å; I128-M132 HydrophobicContact CG2-CG 4.01Å; I128-M132 WeakPolarHBondContact O-CB 3.31Å; I128-M132 WeakPolarHBondContact O-CG 3.35Å; I128-M132 PolarHBondContact O-N 3.44Å
129V96.2Very high95.4Very high0 Ų081.5 Ų81.50%039%0.39CS..Hα-helixtrans-59-44.9-179.5173.50000111I66 L75 L125 Q126 M132 L133 L136I66-V129 HydrophobicContact CB-CG2 3.98Å; I66-V129 HydrophobicContact CG2-CG2 3.97Å; L75-V129 HydrophobicContact CB-CG2 4.25Å; L75-V129 HydrophobicContact CD1-CG2 4.26Å; L125-V129 HydrophobicContact CD1-CG2 4.3Å; L125-V129 HydrophobicContact CG-CG2 4.37Å; L125-V129 WeakPolarHBondContact O-CG2 3.47Å; L125-V129 PolarHBondContact O-N 3.24Å; Q126-V129 PolarHBondContact O-N 3.38Å; V129-M132 PolarHBondContact O-N 3.13Å; V129-L133 HydrophobicContact CG1-CD1 3.96Å; V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 PolarHBondContact O-N 2.89Å; V129-L133 VanDerWaalsContact O-N 3.15Å; V129-L136 HydrophobicContact CG1-CD2 3.79Å
130Y95.9Very high95.4Very high40 Ų4082.9 Ų82.916%0.15740%0.397CS..Hα-helixtrans-69.7-33.7178.1-71.2-29.6000113.8I76 Q126 I128 L136 E137I76-Y130 HydrophobicContact CD1-CE1 4.02Å; Q126-Y130 HydrophobicContact CG-CD2 4.01Å; Q126-Y130 HydrophobicContact CG-CE2 3.67Å; Q126-Y130 PolarHBondContact O-N 3.41Å; I128-Y130 VanDerWaalsContact C-N 3.34Å; I128-Y130 PolarHBondContact O-N 3.09Å; Y130-L136 HydrophobicContact CD1-CB 4.27Å; Y130-L136 HydrophobicContact CD1-CD2 3.89Å; Y130-L136 HydrophobicContact CD1-CG 4Å; Y130-L136 HydrophobicContact CE1-CD2 4.05Å; Y130-L136 HydrophobicContact CE1-CG 4Å; Y130-E137 HydrophobicContact CD1-CB 3.82Å; Y130-E137 HydrophobicContact CD1-CG 4.47Å; Y130-E137 HydrophobicContact CD2-CB 4.05Å; Y130-E137 HydrophobicContact CD2-CG 3.91Å; Y130-E137 HydrophobicContact CE1-CB 4.12Å; Y130-E137 HydrophobicContact CE2-CB 4.33Å; Y130-E137 HydrophobicContact CE2-CG 3.94Å; Y130-E137 HydrophobicContact CG-CB 3.79Å; Y130-E137 HydrophobicContact CG-CG 4.2Å
131K93.7Very high95.2Very high178 Ų17881.8 Ų81.877%0.77439%0.393SS*.Hα-helixtrans-72.9-32.8174.6-73.7172.1-178.1174.90113.1D127 I128D127-K131 WeakPolarHBondContact O-CB 3.44Å; D127-K131 VanDerWaalsContact O-CG 3.24Å; D127-K131 WeakPolarHBondContact O-CG 3.37Å; D127-K131 PolarHBondContact O-N 2.93Å; I128-K131 PolarHBondContact O-N 3.27Å
132M91.9Very high95.1Very high48 Ų4879.3 Ų79.324%0.23638%0.38CS..Hα-helixtrans-78.5-25.8-179.1-72-66.7-6200113L57 L59 F62 I128 V129L57-M132 HydrophobicContact CD1-CE 4.38Å; L59-M132 HydrophobicContact CD2-CE 4.34Å; L59-M132 WeakPolarHBondContact CD2-O 3.39Å; F62-M132 HydrophobicContact CD1-CE 4.37Å; F62-M132 HydrophobicContact CD2-CE 3.91Å; F62-M132 HydrophobicContact CE1-CE 4.42Å; F62-M132 HydrophobicContact CE2-CE 3.96Å; F62-M132 HydrophobicContact CG-CE 4.11Å; F62-M132 HydrophobicContact CZ-CE 4.21Å; I128-M132 HydrophobicContact CG2-CG 4.01Å; I128-M132 WeakPolarHBondContact O-CB 3.31Å; I128-M132 WeakPolarHBondContact O-CG 3.35Å; I128-M132 PolarHBondContact O-N 3.44Å; V129-M132 PolarHBondContact O-N 3.13Å
133L91.8Very high95Very high9 Ų983.7 Ų83.75%0.04739%0.393CS..SBendtrans-114.8105.3-173.4-65172.3000110.3L59 I66 F74 V129 H135 L136L59-L133 HydrophobicContact CD1-CD2 4.02Å; L59-L133 HydrophobicContact CD2-CD2 4.32Å; I66-L133 HydrophobicContact CD1-CD1 4.07Å; I66-L133 HydrophobicContact CD1-CD2 4.19Å; I66-L133 HydrophobicContact CD1-CG 4.28Å; F74-L133 HydrophobicContact CB-CD1 3.92Å; F74-L133 HydrophobicContact CD1-CD1 3.34Å; F74-L133 HydrophobicContact CD2-CD1 3.73Å; F74-L133 HydrophobicContact CE1-CD1 3.66Å; F74-L133 HydrophobicContact CE1-CD2 4.02Å; F74-L133 HydrophobicContact CE2-CD1 4.01Å; F74-L133 HydrophobicContact CE2-CD2 4.34Å; F74-L133 HydrophobicContact CG-CD1 3.38Å; F74-L133 HydrophobicContact CZ-CD1 3.98Å; F74-L133 HydrophobicContact CZ-CD2 3.9Å; V129-L133 HydrophobicContact CG1-CD1 3.96Å; V129-L133 WeakPolarHBondContact O-CB 3.46Å; V129-L133 PolarHBondContact O-N 2.89Å; V129-L133 VanDerWaalsContact O-N 3.15Å; L133-H135 PolarHBondContact O-N 3.18Å; L133-L136 HydrophobicContact CB-CB 3.92Å; L133-L136 HydrophobicContact CB-CD2 4.09Å; L133-L136 HydrophobicContact CD1-CD2 3.59Å; L133-L136 HydrophobicContact CG-CD2 4.5Å; L133-L136 PolarHBondContact O-N 2.8Å
134P89.4Confident94.8Very high97 Ų9777.3 Ų77.363%0.6337%0.373SS*.THydrogen-bonded Turntrans-53.2136.9177.8-25.233.4000111.6L136P134-L136 PolarHBondContact O-N 2.99Å
135H92Very high94.7Very high129 Ų12971.7 Ų71.760%0.59735%0.347SS*.THydrogen-bonded Turntrans66.3-2.4174-48.4-56.5000116.8L133 E137 E138 L139L133-H135 PolarHBondContact O-N 3.18Å; H135-E137 PolarHBondContact O-N 2.87Å; H135-E138 WeakPolarHBondContact CA-OE2 3.37Å; H135-E138 PolarHBondContact O-N 2.78Å; H135-L139 HydrophobicContact CB-CD1 4.27Å; H135-L139 HydrophobicContact CB-CG 4.41Å; H135-L139 VanDerWaalsContact O-CB 3.29Å; H135-L139 WeakPolarHBondContact O-CB 3.3Å; H135-L139 WeakPolarHBondContact O-CG 3.28Å; H135-L139 PolarHBondContact O-N 3.35Å
136L94.8Very high94.6Very high21 Ų2173.8 Ų73.811%0.1136%0.358CS..Hα-helixtrans-62.5-44.5-175.4-179.765.7000111.7F74 I76 V129 Y130 L133 P134 L139 E140F74-L136 HydrophobicContact CB-CD2 3.9Å; F74-L136 HydrophobicContact CD2-CD1 4.39Å; F74-L136 HydrophobicContact CG-CD2 4.45Å; I76-L136 HydrophobicContact CD1-CD1 4.21Å; I76-L136 HydrophobicContact CD1-CD2 4.33Å; I76-L136 HydrophobicContact CD1-CG 4.25Å; V129-L136 HydrophobicContact CG1-CD2 3.79Å; Y130-L136 HydrophobicContact CD1-CB 4.27Å; Y130-L136 HydrophobicContact CD1-CD2 3.89Å; Y130-L136 HydrophobicContact CD1-CG 4Å; Y130-L136 HydrophobicContact CE1-CD2 4.05Å; Y130-L136 HydrophobicContact CE1-CG 4Å; L133-L136 HydrophobicContact CB-CB 3.92Å; L133-L136 HydrophobicContact CB-CD2 4.09Å; L133-L136 HydrophobicContact CD1-CD2 3.59Å; L133-L136 HydrophobicContact CG-CD2 4.5Å; L133-L136 PolarHBondContact O-N 2.8Å; P134-L136 PolarHBondContact O-N 2.99Å; L136-L139 PolarHBondContact O-N 3.45Å; L136-E140 WeakPolarHBondContact O-CB 3.17Å; L136-E140 PolarHBondContact O-N 2.96Å
137E95.8Very high94.5Very high106 Ų10677.8 Ų77.850%0.49538%0.376SS..Hα-helixtrans-65.2-46.7179.7-171.4176.5177.300111.1Y130 H135 L139 E140 R141Y130-E137 HydrophobicContact CD1-CB 3.82Å; Y130-E137 HydrophobicContact CD1-CG 4.47Å; Y130-E137 HydrophobicContact CD2-CB 4.05Å; Y130-E137 HydrophobicContact CD2-CG 3.91Å; Y130-E137 HydrophobicContact CE1-CB 4.12Å; Y130-E137 HydrophobicContact CE2-CB 4.33Å; Y130-E137 HydrophobicContact CE2-CG 3.94Å; Y130-E137 HydrophobicContact CG-CB 3.79Å; Y130-E137 HydrophobicContact CG-CG 4.2Å; H135-E137 PolarHBondContact O-N 2.87Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3.22Å; E137-E140 PolarHBondContact O-N 3.46Å; E137-R141 VanDerWaalsContact O-CB 3.29Å; E137-R141 WeakPolarHBondContact O-CB 3.38Å; E137-R141 PolarHBondContact O-N 2.92Å
138E95.1Very high94.4Very high117 Ų11777 Ų7755%0.54737%0.367SS..Hα-helixtrans-61.6-41.9177.7-66.486.5174.700111.9H135 R141 A142H135-E138 WeakPolarHBondContact CA-OE2 3.37Å; H135-E138 PolarHBondContact O-N 2.78Å; E138-R141 PolarHBondContact O-N 2.87Å; E138-A142 WeakPolarHBondContact O-CB 3.16Å; E138-A142 PolarHBondContact O-N 2.9Å
139L95.9Very high94.3Very high101 Ų10179.1 Ų79.153%0.52937%0.373SS..Hα-helixtrans-67.6-40.1179.1-73.2172.7000112.6H135 L136 E137 R143H135-L139 HydrophobicContact CB-CD1 4.27Å; H135-L139 HydrophobicContact CB-CG 4.41Å; H135-L139 VanDerWaalsContact O-CB 3.29Å; H135-L139 WeakPolarHBondContact O-CB 3.3Å; H135-L139 WeakPolarHBondContact O-CG 3.28Å; H135-L139 PolarHBondContact O-N 3.35Å; L136-L139 PolarHBondContact O-N 3.45Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3.22Å; L139-R143 WeakPolarHBondContact O-CB 3.32Å; L139-R143 WeakPolarHBondContact O-CG 3.24Å; L139-R143 PolarHBondContact O-N 3.1Å; L139-R143 VanDerWaalsContact O-N 3.08Å; L139-R143 PolarHBondContact O-NE 2.75Å
140E96Very high94.3Very high50 Ų5086.4 Ų86.423%0.23441%0.407CS..Hα-helixtrans-65.5-43.7174.1-174.861.4-153.600110.9I76 L136 E137 A142 R143 M144I76-E140 HydrophobicContact CD1-CB 4.26Å; I76-E140 HydrophobicContact CD1-CG 4.11Å; I76-E140 HydrophobicContact CG2-CG 3.82Å; L136-E140 WeakPolarHBondContact O-CB 3.17Å; L136-E140 PolarHBondContact O-N 2.96Å; E137-E140 PolarHBondContact O-N 3.46Å; E140-A142 PolarHBondContact O-N 2.96Å; E140-R143 PolarHBondContact O-N 3.42Å; E140-R143 IonicContact OE2-CZ 3Å; E140-R143 IonicContact OE2-NE 3.82Å; E140-R143 IonicContact OE2-NH1 3.11Å; E140-R143 PolarHBondContact OE2-NH1 2.89Å; E140-R143 VanDerWaalsContact OE2-NH1 3.11Å; E140-R143 IonicContact OE2-NH2 2.7Å; E140-R143 PolarHBondContact OE2-NH2 3.5Å; E140-M144 PolarHBondContact O-N 3.24Å
141R94.1Very high94.2Very high109 Ų10991 Ų9141%0.41142%0.424SS..Hα-helixtrans-61.6-43.6176.6-177.2-178.9173.377.55.8111.9E137 E138 M144 I145E137-R141 VanDerWaalsContact O-CB 3.29Å; E137-R141 WeakPolarHBondContact O-CB 3.38Å; E137-R141 PolarHBondContact O-N 2.92Å; E138-R141 PolarHBondContact O-N 2.87Å; R141-M144 PolarHBondContact O-N 3.24Å; R141-I145 HydrophobicContact CG-CD1 3.96Å; R141-I145 VanDerWaalsContact O-CG1 3.28Å; R141-I145 WeakPolarHBondContact O-CG1 3.18Å; R141-I145 PolarHBondContact O-N 2.98Å
142A95.5Very high94.2Very high43 Ų4386 Ų8636%0.35542%0.423SS..Hα-helixtrans-60.4-47.9176.500000111.1E138 E140 M144 I145 D146E138-A142 WeakPolarHBondContact O-CB 3.16Å; E138-A142 PolarHBondContact O-N 2.9Å; E140-A142 PolarHBondContact O-N 2.96Å; A142-M144 VanDerWaalsContact C-N 3.3Å; A142-M144 PolarHBondContact O-N 3Å; A142-I145 PolarHBondContact O-N 3.4Å; A142-I145 VanDerWaalsContact O-N 3.13Å; A142-D146 PolarHBondContact O-N 3.39Å
143R95.6Very high94.1Very high136 Ų13688.2 Ų88.251%0.51344%0.435SS..Hα-helixtrans-57.4-41.8175.8-77.3-178-79.1147.60.8112.4L139 E140 F147L139-R143 WeakPolarHBondContact O-CB 3.32Å; L139-R143 WeakPolarHBondContact O-CG 3.24Å; L139-R143 PolarHBondContact O-N 3.1Å; L139-R143 VanDerWaalsContact O-N 3.08Å; L139-R143 PolarHBondContact O-NE 2.75Å; E140-R143 PolarHBondContact O-N 3.42Å; E140-R143 IonicContact OE2-CZ 3Å; E140-R143 IonicContact OE2-NE 3.82Å; E140-R143 IonicContact OE2-NH1 3.11Å; E140-R143 PolarHBondContact OE2-NH1 2.89Å; E140-R143 VanDerWaalsContact OE2-NH1 3.11Å; E140-R143 IonicContact OE2-NH2 2.7Å; E140-R143 PolarHBondContact OE2-NH2 3.5Å; R143-F147 WeakPolarHBondContact O-CB 3.43Å; R143-F147 PolarHBondContact O-N 3.43Å; R143-F147 VanDerWaalsContact O-N 3.07Å
144M93.7Very high94.1Very high65 Ų6596.7 Ų96.732%0.3248%0.475SS..Hα-helixtrans-62.1-51174.1-177-171.666.500111.2E140 R141 A142 D146 F147 Y148E140-M144 PolarHBondContact O-N 3.24Å; R141-M144 PolarHBondContact O-N 3.24Å; A142-M144 VanDerWaalsContact C-N 3.3Å; A142-M144 PolarHBondContact O-N 3Å; M144-D146 VanDerWaalsContact C-N 3.3Å; M144-D146 PolarHBondContact O-N 3.4Å; M144-F147 WeakPolarHBondContact O-CB 3.43Å; M144-F147 PolarHBondContact O-N 3.23Å; M144-Y148 HydrophobicContact CG-CD2 3.99Å; M144-Y148 HydrophobicContact CG-CE2 3.84Å; M144-Y148 VanDerWaalsContact O-CD2 3.31Å; M144-Y148 WeakPolarHBondContact O-CD2 3.27Å; M144-Y148 PolarHBondContact O-N 3.48Å
145I94.4Very high94Very high35 Ų3594.6 Ų94.618%0.17946%0.46CS..Hα-helixtrans-58-45.5-178.4-70.2168000110.9R141 A142 F147 Y148 K149 V155R141-I145 HydrophobicContact CG-CD1 3.96Å; R141-I145 VanDerWaalsContact O-CG1 3.28Å; R141-I145 WeakPolarHBondContact O-CG1 3.18Å; R141-I145 PolarHBondContact O-N 2.98Å; A142-I145 PolarHBondContact O-N 3.4Å; A142-I145 VanDerWaalsContact O-N 3.13Å; I145-F147 VanDerWaalsContact C-N 3.33Å; I145-F147 PolarHBondContact O-N 2.94Å; I145-Y148 PolarHBondContact O-N 3.49Å; I145-K149 HydrophobicContact CG2-CD 3.81Å; I145-K149 VanDerWaalsContact CG2-CE 3.41Å; I145-K149 HydrophobicContact CG2-CG 4.29Å; I145-K149 WeakPolarHBondContact O-CB 3.34Å; I145-K149 WeakPolarHBondContact O-CG 3.43Å; I145-K149 PolarHBondContact O-N 3.12Å; I145-V155 HydrophobicContact CG1-CG1 3.98Å; I145-V155 HydrophobicContact CG2-CG2 4.41Å
146D96.1Very high93.8Very high77 Ų7791 Ų9141%0.41245%0.448SS..Hα-helixtrans-63.5-39.8179.6-69.8-16.9000111.6A142 M144 Y148 K149 Q150A142-D146 PolarHBondContact O-N 3.39Å; M144-D146 VanDerWaalsContact C-N 3.3Å; M144-D146 PolarHBondContact O-N 3.4Å; D146-Y148 PolarHBondContact O-N 2.86Å; D146-K149 PolarHBondContact O-N 3.07Å; D146-Q150 VanDerWaalsContact O-CB 3.32Å; D146-Q150 WeakPolarHBondContact O-CB 3.41Å; D146-Q150 WeakPolarHBondContact O-CG 3.25Å; D146-Q150 PolarHBondContact O-N 3.46Å
147F95.4Very high93Very high97 Ų9799.1 Ų99.143%0.42548%0.483SS..Hα-helixtrans-57.4-44.4175.5173.9-83.5000113R143 M144 I145 R151R143-F147 WeakPolarHBondContact O-CB 3.43Å; R143-F147 PolarHBondContact O-N 3.43Å; R143-F147 VanDerWaalsContact O-N 3.07Å; M144-F147 WeakPolarHBondContact O-CB 3.43Å; M144-F147 PolarHBondContact O-N 3.23Å; I145-F147 VanDerWaalsContact C-N 3.33Å; I145-F147 PolarHBondContact O-N 2.94Å; F147-R151 VanDerWaalsContact CD2-CZ 3.48Å; F147-R151 VanDerWaalsContact CE2-NH2 3.33Å; F147-R151 VanDerWaalsContact CZ-CZ 3.5Å; F147-R151 PolarHBondContact O-NH1 2.96Å; F147-R151 VanDerWaalsContact O-NH1 3.09Å
148Y93.2Very high91.8Very high68 Ų6897.7 Ų97.727%0.26748%0.482SS..Hα-helixtrans-72.1-45179.8-82.2-91.2000111.3M144 I145 D146 Q150 R151 G152 L153 E154 P156M144-Y148 HydrophobicContact CG-CD2 3.99Å; M144-Y148 HydrophobicContact CG-CE2 3.84Å; M144-Y148 VanDerWaalsContact O-CD2 3.31Å; M144-Y148 WeakPolarHBondContact O-CD2 3.27Å; M144-Y148 PolarHBondContact O-N 3.48Å; I145-Y148 PolarHBondContact O-N 3.49Å; D146-Y148 PolarHBondContact O-N 2.86Å; Y148-Q150 PolarHBondContact O-N 3Å; Y148-R151 CarbonylContact O-C 3.6Å; Y148-R151 PolarHBondContact O-N 3.26Å; Y148-R151 VanDerWaalsContact O-N 3.13Å; Y148-G152 PolarHBondContact O-N 2.94Å; Y148-L153 HydrophobicContact CD1-CB 3.68Å; Y148-L153 HydrophobicContact CD1-CD1 4.31Å; Y148-L153 HydrophobicContact CE1-CB 4.47Å; Y148-L153 PolarHBondContact O-N 3.39Å; Y148-E154 VanDerWaalsContact CD1-O 3.24Å; Y148-E154 WeakPolarHBondContact CD1-O 3.25Å; Y148-P156 HydrophobicContact CE1-CG 3.92Å; Y148-P156 HydrophobicContact CE2-CG 3.92Å
149K94.1Very high90.1Very high136 Ų13699 Ų9959%0.59150%0.498SS*.Hα-helixtrans-59.7-46.1178-75.7178.4178.4172.80112.4I145 D146 R151 G152 V155I145-K149 HydrophobicContact CG2-CD 3.81Å; I145-K149 VanDerWaalsContact CG2-CE 3.41Å; I145-K149 HydrophobicContact CG2-CG 4.29Å; I145-K149 WeakPolarHBondContact O-CB 3.34Å; I145-K149 WeakPolarHBondContact O-CG 3.43Å; I145-K149 PolarHBondContact O-N 3.12Å; D146-K149 PolarHBondContact O-N 3.07Å; K149-R151 PolarHBondContact O-N 3.03Å; K149-R151 VanDerWaalsContact O-N 3.14Å; K149-G152 PolarHBondContact O-N 2.82Å; K149-V155 HydrophobicContact CG-CG2 4.35Å
150Q95.8Very high87.9Confident153 Ų153100 Ų10072%0.71551%0.508SS*.Hα-helixtrans-61.6-21.9178.9-73.2172.315.100113.1D146 Y148D146-Q150 VanDerWaalsContact O-CB 3.32Å; D146-Q150 WeakPolarHBondContact O-CB 3.41Å; D146-Q150 WeakPolarHBondContact O-CG 3.25Å; D146-Q150 PolarHBondContact O-N 3.46Å; Y148-Q150 PolarHBondContact O-N 3Å
151R94.7Very high85.4Confident135 Ų135102.2 Ų102.251%0.50954%0.535SS..THydrogen-bonded Turntrans-100.32.2178.3-70.6173.5176.469.83.2113.5F147 Y148 K149 L153F147-R151 VanDerWaalsContact CD2-CZ 3.48Å; F147-R151 VanDerWaalsContact CE2-NH2 3.33Å; F147-R151 VanDerWaalsContact CZ-CZ 3.5Å; F147-R151 PolarHBondContact O-NH1 2.96Å; F147-R151 VanDerWaalsContact O-NH1 3.09Å; Y148-R151 CarbonylContact O-C 3.6Å; Y148-R151 PolarHBondContact O-N 3.26Å; Y148-R151 VanDerWaalsContact O-N 3.13Å; K149-R151 PolarHBondContact O-N 3.03Å; K149-R151 VanDerWaalsContact O-N 3.14Å; R151-L153 HydrophobicContact CB-CD1 4.01Å; R151-L153 HydrophobicContact CB-CG 3.94Å; R151-L153 PolarHBondContact O-N 2.89Å
152G92.2Very high82.8Confident73 Ų73101.9 Ų101.975%0.75355%0.549SS*.THydrogen-bonded Turntrans63.123.2-174.900000113.7Y148 K149Y148-G152 PolarHBondContact O-N 2.94Å; K149-G152 PolarHBondContact O-N 2.82Å
153L91.8Very high80.2Confident96 Ų96105.1 Ų105.150%0.50357%0.567SS.*PPolyproline II helixtrans-92.6149.3178.9-63.8176000110.5Y148 R151 V155Y148-L153 HydrophobicContact CD1-CB 3.68Å; Y148-L153 HydrophobicContact CD1-CD1 4.31Å; Y148-L153 HydrophobicContact CE1-CB 4.47Å; Y148-L153 PolarHBondContact O-N 3.39Å; R151-L153 HydrophobicContact CB-CD1 4.01Å; R151-L153 HydrophobicContact CB-CG 3.94Å; R151-L153 PolarHBondContact O-N 2.89Å; L153-V155 PolarHBondContact O-N 2.89Å
154E90.3Very high77.6Confident187 Ų187103.8 Ų103.887%0.87459%0.585SS**PPolyproline II helixtrans-64.1129.9173-69.2-169.2173.500110.7Y148Y148-E154 VanDerWaalsContact CD1-O 3.24Å; Y148-E154 WeakPolarHBondContact CD1-O 3.25Å
155V88.4Confident75.1Confident53 Ų53106.7 Ų106.732%0.32161%0.606SS.*PPolyproline II helixtrans-70.9127.3176.9178.70000109I145 K149 L153 K157I145-V155 HydrophobicContact CG1-CG1 3.98Å; I145-V155 HydrophobicContact CG2-CG2 4.41Å; K149-V155 HydrophobicContact CG-CG2 4.35Å; L153-V155 PolarHBondContact O-N 2.89Å; V155-K157 PolarHBondContact O-N 3.25Å
156P86.3Confident72.7Confident54 Ų54110.9 Ų110.935%0.35164%0.635SS.*PPolyproline II helixtrans-56.5129.5176.1-25.634.4000111.6Y148Y148-P156 HydrophobicContact CE1-CG 3.92Å; Y148-P156 HydrophobicContact CE2-CG 3.92Å
157K79.1Confident70.2Confident191 Ų191113.4 Ų113.483%0.8365%0.653SS**PPolyproline II helixtrans-67134.6173.2-72179.3-179172.90109V155 V159V155-K157 PolarHBondContact O-N 3.25Å; K157-V159 PolarHBondContact O-N 3.21Å
158P69.5Low67.8Low75 Ų75115.8 Ų115.849%0.48767%0.67SS.*PPolyproline II helixtrans-57.5129.7174.618.1-25.1000109.6V160P158-V160 PolarHBondContact O-N 3.3Å
159V59.2Low65.1Low145 Ų145121.5 Ų121.588%0.87970%0.696SS**  trans-73.386.8175.5-172.10000106.8K157 A161K157-V159 PolarHBondContact O-N 3.21Å; V159-A161 PolarHBondContact O-N 2.78Å
160V50.9Low62.6Low123 Ų123122.7 Ų122.775%0.74571%0.709SS**  trans-65.1119.8170.3-1480000106.2P158 S162P158-V160 PolarHBondContact O-N 3.3Å; V160-S162 VanDerWaalsContact C-N 3.3Å; V160-S162 PolarHBondContact O-N 2.98Å
161A42.7Very low60.1Low96 Ų96124.7 Ų124.779%0.79372%0.718SS**  trans-62.196.4171.100000107.8V159V159-A161 PolarHBondContact O-N 2.78Å
162S39.5Very low57.6Low102 Ų102127.2 Ų127.271%0.71373%0.733SS**PPolyproline II helixtrans-61.9134.7175.645.50000109.4V160V160-S162 VanDerWaalsContact C-N 3.3Å; V160-S162 PolarHBondContact O-N 2.98Å
163P41.3Very low55.5Low111 Ų111132 Ų13272%0.72174%0.736SS**PPolyproline II helixtrans-58.5140.3166-12.525.5000108.7V165P163-V165 PolarHBondContact O-N 2.98Å; P163-V165 VanDerWaalsContact O-N 3.17Å
164A41.5Very low53.1Low108 Ų108138.1 Ų138.189%0.89375%0.752SS**PPolyproline II helixtrans-56.6119.1177.700000110.8
165V40.9Very low51.1Low125 Ų125141 Ų14176%0.75876%0.755SS**  trans-129.3136.1168-167.60000107.5P163P163-V165 PolarHBondContact O-N 2.98Å; P163-V165 VanDerWaalsContact O-N 3.17Å
166P44.1Very low48.8Very low124 Ų124146 Ų14681%0.80578%0.775SS**  trans-74.2149.9-167.530.5-36.5000113.3
167V43.1Very low47.1Very low130 Ų130151.3 Ų151.379%0.78880%0.799SS**  trans-50.7134.9177.3175.80000112.9
168L45.5Very low45.5Very low146 Ų146149.3 Ų149.376%0.76480%0.797SS**  180115.6125.1-118.1108.3000113.3
169K35.8Very low44.4Very low188 Ų188151.4 Ų151.482%0.81781%0.81SS**  155130.7114.6-83.6-179-173.3179.80112.9
170N41.3Very low43.7Very low162 Ų162153.1 Ų153.187%0.86681%0.809SS**  trans-43.4131.6171.7-69.4-23.8000114.8
171Q44.3Very low43.3Very low195 Ų195151.6 Ų151.691%0.91180%0.803SS**  trans-139.3138.9140.4-71.1-166.14.800111.4
172K42.4Very low43.5Very low187 Ų187153.6 Ų153.681%0.81381%0.806SS**  trans-64.1148.7-174.5-97.6171169.4176.40113.3
173Q47.5Very low44.1Very low174 Ų174153 Ų15381%0.81379%0.791SS**  trans6890.9149.3-65.4177.910.800118
174R40.8Very low44.9Very low224 Ų224152.9 Ų152.985%0.84579%0.788SS**  -144.8127.3117.6-112.3171.471.6-179.91.8107E176R174-E176 PolarHBondContact O-N 3.24Å
175R49Very low46Very low249 Ų249151 Ų15194%0.9476%0.762SS**  trans-68.777.6173.2-170.7172.3157.5-167.6-6.8106.5L177R175-L177 PolarHBondContact O-N 3.48Å
176E40Very low47.5Very low158 Ų158146.4 Ų146.474%0.73874%0.735SS**  trans-60.4122.2170.2-73.1-176.2143.500106.3R174 L178R174-E176 PolarHBondContact O-N 3.24Å; E176-L178 PolarHBondContact O-N 3.41Å
177L50.8Low48.9Very low165 Ų165145.5 Ų145.586%0.86473%0.729SS**  trans-57.3101.7163-84.495.9000105.8R175R175-L177 PolarHBondContact O-N 3.48Å
178L44.7Very low50.6Low148 Ų148145 Ų14578%0.77572%0.718SS**  trans-45.4130.3164.2-69.6163000106.5E176 Q180E176-L178 PolarHBondContact O-N 3.41Å; L178-Q180 PolarHBondContact O-N 2.64Å
179P46.3Very low52.4Low119 Ų119139.9 Ų139.977%0.77369%0.691SS**  trans-50.9118.3171.4-21.130.5000106.6S181P179-S181 PolarHBondContact O-N 2.74Å
180Q45.5Very low54.7Low181 Ų181134.4 Ų134.485%0.84667%0.671SS**  trans-44.2122.3173.5-94.7154.8-4900106.5L178 V182L178-Q180 PolarHBondContact O-N 2.64Å; Q180-V182 PolarHBondContact O-N 2.8Å
181S42.3Very low57.1Low91 Ų91126.8 Ų126.864%0.63663%0.63SS**  trans-41.7130178.246.90000108.1P179 F183P179-S181 PolarHBondContact O-N 2.74Å; S181-F183 PolarHBondContact O-N 3.01Å
182V47.8Very low59.4Low138 Ų138119.1 Ų119.184%0.83660%0.598SS**SBendtrans-65.215.3175.8-157.10000111.6Q180 T184Q180-V182 PolarHBondContact O-N 2.8Å; V182-T184 PolarHBondContact O-N 3.18Å
183F51.1Low61.9Low91 Ų91110.5 Ų110.540%0.39956%0.561SS.*  trans-90.678170.4-109-90000108.2Y117 S181 I185Y117-F183 HydrophobicContact CD1-CE2 4.48Å; Y117-F183 AromaticContact CD1-CZ 3.82Å; Y117-F183 HydrophobicContact CD1-CZ 3.82Å; Y117-F183 HydrophobicContact CD2-CZ 4.26Å; Y117-F183 AromaticContact CE1-CE1 4Å; Y117-F183 HydrophobicContact CE1-CE1 4Å; Y117-F183 AromaticContact CE1-CE2 3.87Å; Y117-F183 HydrophobicContact CE1-CE2 3.87Å; Y117-F183 AromaticContact CE1-CZ 3.17Å; Y117-F183 HydrophobicContact CE1-CZ 3.17Å; Y117-F183 AromaticContact CE2-CE1 3.82Å; Y117-F183 HydrophobicContact CE2-CE1 3.82Å; Y117-F183 AromaticContact CE2-CZ 3.72Å; Y117-F183 HydrophobicContact CE2-CZ 3.72Å; Y117-F183 HydrophobicContact CG-CZ 4.29Å; Y117-F183 AromaticContact CZ-CE1 3.4Å; Y117-F183 VanDerWaalsContact CZ-CE1 3.4Å; Y117-F183 AromaticContact CZ-CZ 3.08Å; Y117-F183 WeakPolarHBondContact OH-CE1 3.5Å; Y117-F183 VanDerWaalsContact OH-CZ 3.23Å; Y117-F183 WeakPolarHBondContact OH-CZ 3.43Å; S181-F183 PolarHBondContact O-N 3.01Å; F183-I185 PolarHBondContact O-N 3.41Å
184T58.4Low64.2Low108 Ų108103.4 Ų103.466%0.66353%0.528SS*.  trans-68105.1161.1-51.90000106.1V182V182-T184 PolarHBondContact O-N 3.18Å
185I64.9Low66.9Low68 Ų6892.8 Ų92.835%0.34949%0.488SS..  trans-68.9127.6179.1-51.9168.9000106.7F183 L189 R216F183-I185 PolarHBondContact O-N 3.41Å; I185-L189 HydrophobicContact CG2-CB 4.28Å; I185-R216 VanDerWaalsContact CG2-NE 3.33Å
186P72.6Confident69.1Low29 Ų2983.6 Ų83.619%0.18846%0.456CS..  trans-50.7135-175.5-26.231.6000110.8E188 L189P186-E188 WeakPolarHBondContact CB-OE2 3.26Å; P186-E188 PolarHBondContact O-N 3.41Å; P186-E188 VanDerWaalsContact O-N 3.09Å; P186-L189 HydrophobicContact CB-CD1 4.48Å; P186-L189 HydrophobicContact CB-CG 4.28Å; P186-L189 HydrophobicContact CG-CD1 4.15Å; P186-L189 HydrophobicContact CG-CG 4.49Å; P186-L189 PolarHBondContact O-N 3.07Å
187P72.8Confident71.7Confident105 Ų10579.6 Ų79.668%0.68244%0.436SS*.THydrogen-bonded Turntrans-60.1-22.2-177.124.7-32.9000112.2L189P187-L189 VanDerWaalsContact C-N 3.29Å; P187-L189 PolarHBondContact O-N 3.03Å
188E78.8Confident73.7Confident119 Ų11976.7 Ų76.756%0.55642%0.424SS*.THydrogen-bonded Turntrans-74-17.4176.3-49.776.8-166.500113.2P186 D190 S218P186-E188 WeakPolarHBondContact CB-OE2 3.26Å; P186-E188 PolarHBondContact O-N 3.41Å; P186-E188 VanDerWaalsContact O-N 3.09Å; E188-D190 VanDerWaalsContact C-N 3.28Å; E188-D190 PolarHBondContact O-N 3.42Å; E188-S218 WeakPolarHBondContact O-CA 3.48Å; E188-S218 WeakPolarHBondContact O-CB 3.36Å; E188-S218 PolarHBondContact O-OG 2.89Å
189L83.4Confident76Confident38 Ų3871 Ų7120%0.19940%0.401CS..  trans-95.243.9177.3-59.9-176.2000111.1I185 P186 P187 V191 R216 V217I185-L189 HydrophobicContact CG2-CB 4.28Å; P186-L189 HydrophobicContact CB-CD1 4.48Å; P186-L189 HydrophobicContact CB-CG 4.28Å; P186-L189 HydrophobicContact CG-CD1 4.15Å; P186-L189 HydrophobicContact CG-CG 4.49Å; P186-L189 PolarHBondContact O-N 3.07Å; P187-L189 VanDerWaalsContact C-N 3.29Å; P187-L189 PolarHBondContact O-N 3.03Å; L189-V191 VanDerWaalsContact C-N 3.27Å; L189-V191 PolarHBondContact O-N 3.23Å; L189-R216 HydrophobicContact CB-CB 4.43Å; L189-R216 PolarHBondContact O-NE 2.85Å; L189-R216 PolarHBondContact O-NH2 3.36Å; L189-V217 CarbonylContact C-O 3.5Å; L189-V217 VanDerWaalsContact C-O 3.24Å; L189-V217 WeakPolarHBondContact CA-O 3.37Å
190D84.8Confident78.2Confident73 Ų7367 Ų6739%0.3938%0.379SS..  trans-67.2-13.6-168.557.8-21.5000115.7E188 V217 G219 R258E188-D190 VanDerWaalsContact C-N 3.28Å; E188-D190 PolarHBondContact O-N 3.42Å; D190-V217 PolarHBondContact N-O 2.91Å; D190-G219 PolarHBondContact OD1-N 2.96Å; D190-R258 IonicContact OD2-CZ 3.93Å; D190-R258 IonicContact OD2-NH2 2.88Å; D190-R258 PolarHBondContact OD2-NH2 3.01Å
191V90.8Very high80.5Confident2 Ų262.9 Ų62.91%0.01236%0.36CS..EExtended strand (participates in β ladder)trans-107.4133.3-179.9175.60000111.8L189 L193 R216 V217 G219 L257L189-V191 VanDerWaalsContact C-N 3.27Å; L189-V191 PolarHBondContact O-N 3.23Å; V191-L193 HydrophobicContact CG1-CD2 3.62Å; V191-L193 HydrophobicContact CG1-CG 4.35Å; V191-R216 WeakPolarHBondContact O-CA 3.5Å; V191-V217 PolarHBondContact N-O 3.47Å; V191-V217 PolarHBondContact O-N 2.97Å; V191-G219 VanDerWaalsContact CG2-CA 3.47Å; V191-L257 HydrophobicContact CG1-CB 4.33Å; V191-L257 HydrophobicContact CG1-CD1 4.49Å
192S93.3Very high82.5Confident35 Ų3567.4 Ų67.425%0.24537%0.371CS..EExtended strand (participates in β ladder)trans-107.1126.1172.3-58.20000109.8R216 L274S192-R216 WeakPolarHBondContact OG-CG 3.37Å; S192-L274 PolarHBondContact O-N 3.01Å
193L95.1Very high84.1Confident5 Ų563.4 Ų63.43%0.02636%0.357CS..EExtended strand (participates in β ladder)trans-110.3144.9-179.9-53.7-177.7000110.8V191 L195 Y214 V215 V217 V226 L257 L274 L276V191-L193 HydrophobicContact CG1-CD2 3.62Å; V191-L193 HydrophobicContact CG1-CG 4.35Å; L193-L195 HydrophobicContact CB-CD2 4.44Å; L193-Y214 VanDerWaalsContact O-CA 3.29Å; L193-Y214 WeakPolarHBondContact O-CA 3.46Å; L193-V215 HydrophobicContact CB-CB 4.33Å; L193-V215 PolarHBondContact N-O 2.96Å; L193-V215 PolarHBondContact O-N 3.14Å; L193-V217 HydrophobicContact CD1-CG1 3.73Å; L193-V217 HydrophobicContact CG-CG1 3.99Å; L193-V226 HydrophobicContact CD1-CG2 3.99Å; L193-L257 HydrophobicContact CD1-CD1 3.89Å; L193-L257 HydrophobicContact CD1-CD2 4.35Å; L193-L257 HydrophobicContact CD2-CD1 4.13Å; L193-L257 HydrophobicContact CD2-CD2 4Å; L193-L257 HydrophobicContact CG-CD1 4.41Å; L193-L274 WeakPolarHBondContact CA-O 3.38Å; L193-L274 HydrophobicContact CD2-CB 3.89Å; L193-L274 HydrophobicContact CD2-CD2 3.69Å; L193-L274 HydrophobicContact CD2-CG 4.12Å; L193-L276 HydrophobicContact CD1-CD1 4.3Å; L193-L276 HydrophobicContact CD2-CD1 4.14Å
194Q95.6Very high85.9Confident25 Ų2560 Ų6012%0.11734%0.343CS..EExtended strand (participates in β ladder)trans-117.2118.3161.6174.1171.1-9.800108.6E196 Y214 I273 L274 V275 L276Q194-E196 HydrophobicContact CG-CG 4.13Å; Q194-E196 PolarHBondContact NE2-OE1 3.08Å; Q194-Y214 HydrophobicContact CB-CD1 4.03Å; Q194-Y214 HydrophobicContact CB-CE1 3.86Å; Q194-Y214 HydrophobicContact CG-CD1 4.34Å; Q194-Y214 HydrophobicContact CG-CE1 3.82Å; Q194-I273 HydrophobicContact CB-CG2 3.72Å; Q194-L274 PolarHBondContact N-O 3.08Å; Q194-V275 HydrophobicContact CB-CG2 4.42Å; Q194-L276 PolarHBondContact O-N 3.23Å
195L96.6Very high86.9Confident1 Ų161.7 Ų61.71%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-98115.5-178.2-57.3179.8000110L193 L210 R213 V215 V226 F229 I230 L276 F278L193-L195 HydrophobicContact CB-CD2 4.44Å; L195-L210 HydrophobicContact CB-CD2 3.92Å; L195-L210 HydrophobicContact CD1-CD2 3.97Å; L195-R213 PolarHBondContact N-O 2.86Å; L195-R213 WeakPolarHBondContact O-CB 3.18Å; L195-R213 WeakPolarHBondContact O-CG 3.39Å; L195-V215 HydrophobicContact CD1-CG2 4.02Å; L195-V226 HydrophobicContact CD2-CG1 3.8Å; L195-F229 HydrophobicContact CD1-CD1 3.93Å; L195-F229 HydrophobicContact CD1-CE1 3.79Å; L195-I230 HydrophobicContact CD1-CD1 4.38Å; L195-I230 HydrophobicContact CD1-CG1 4.08Å; L195-L276 CarbonylContact C-O 3.6Å; L195-L276 WeakPolarHBondContact CA-O 3.26Å; L195-L276 HydrophobicContact CD2-CB 4.03Å; L195-L276 HydrophobicContact CD2-CD1 4.27Å; L195-F278 HydrophobicContact CB-CD1 4.22Å; L195-F278 HydrophobicContact CB-CE1 3.99Å
196E94.9Very high87.8Confident57 Ų5765.8 Ų65.827%0.26637%0.371SS..EExtended strand (participates in β ladder)trans-109.7120.5-179.2-59.3-150.5159.300111.3Q194 V198 V275 L276 H277 F278Q194-E196 HydrophobicContact CG-CG 4.13Å; Q194-E196 PolarHBondContact NE2-OE1 3.08Å; E196-V198 PolarHBondContact O-N 3.3Å; E196-V275 HydrophobicContact CG-CG1 4.13Å; E196-L276 PolarHBondContact N-O 3.29Å; E196-H277 CarbonylContact O-C 3.58Å; E196-H277 WeakPolarHBondContact O-CA 3.26Å; E196-H277 IonicContact OE2-CD2 3.79Å; E196-H277 IonicContact OE2-NE2 3.3Å; E196-H277 PolarHBondContact OE2-NE2 3.38Å; E196-F278 VanDerWaalsContact O-CD1 3.28Å; E196-F278 WeakPolarHBondContact O-CD1 3.49Å; E196-F278 PolarHBondContact O-N 3.05Å
197F95.6Very high88.7Confident73 Ų7367.9 Ų67.932%0.3238%0.375SS..EExtended strand (participates in β ladder)trans-81.8118.7178.3-179-123.5000110.2G199 A200 Y207 F278 L280F197-G199 VanDerWaalsContact CE2-C 3.44Å; F197-G199 WeakPolarHBondContact CE2-O 3.33Å; F197-G199 WeakPolarHBondContact CZ-O 3.45Å; F197-A200 HydrophobicContact CZ-CB 4.16Å; F197-Y207 AromaticContact CE1-CE2 3.97Å; F197-Y207 HydrophobicContact CE1-CE2 3.97Å; F197-Y207 AromaticContact CZ-CE2 3.86Å; F197-Y207 HydrophobicContact CZ-CE2 3.86Å; F197-Y207 AromaticContact CZ-CZ 3.77Å; F197-Y207 WeakPolarHBondContact CZ-OH 3.23Å; F197-F278 HydrophobicContact CB-CE1 3.95Å; F197-F278 HydrophobicContact CB-CE2 4.2Å; F197-F278 HydrophobicContact CB-CZ 3.66Å; F197-F278 AromaticContact CD2-CD2 3.93Å; F197-F278 HydrophobicContact CD2-CD2 3.93Å; F197-F278 AromaticContact CD2-CE2 3.41Å; F197-F278 HydrophobicContact CD2-CE2 3.41Å; F197-F278 VanDerWaalsContact CD2-CE2 3.41Å; F197-F278 AromaticContact CD2-CZ 3.79Å; F197-F278 HydrophobicContact CD2-CZ 3.79Å; F197-F278 HydrophobicContact CE2-CE2 4.19Å; F197-F278 HydrophobicContact CG-CE2 4.19Å; F197-F278 HydrophobicContact CG-CZ 4.11Å; F197-L280 HydrophobicContact CE2-CD1 4.4Å; F197-L280 HydrophobicContact CE2-CG 3.97Å
198V93.4Very high89.6Confident104 Ų10468 Ų6863%0.6337%0.365SS*.EExtended strand (participates in β ladder)trans-94.1-29.8-177.5-170.30000111.9E196 H277 F278E196-V198 PolarHBondContact O-N 3.3Å; V198-H277 HydrophobicContact CG2-CB 3.62Å; V198-F278 PolarHBondContact N-O 3.27Å
199G92.4Very high90.1Very high28 Ų2867.2 Ų67.229%0.28937%0.37SS..EExtended strand (participates in β ladder)trans155.4178.9178.500000113.7F197 G279 L280F197-G199 VanDerWaalsContact CE2-C 3.44Å; F197-G199 WeakPolarHBondContact CE2-O 3.33Å; F197-G199 WeakPolarHBondContact CZ-O 3.45Å; G199-G279 VanDerWaalsContact O-CA 3.28Å; G199-G279 WeakPolarHBondContact O-CA 3.5Å; G199-L280 PolarHBondContact O-N 3.11Å
200A93Very high90.5Very high36 Ų3666.4 Ų66.430%0.29837%0.366SS..EExtended strand (participates in β ladder)trans-127.2143.3176.300000109.9F197 I204 Y207 L280F197-A200 HydrophobicContact CZ-CB 4.16Å; A200-I204 HydrophobicContact CB-CB 4.11Å; A200-I204 HydrophobicContact CB-CG2 4.22Å; A200-Y207 HydrophobicContact CB-CE1 3.78Å; A200-L280 WeakPolarHBondContact CA-O 3.35Å; A200-L280 HydrophobicContact CB-CB 3.83Å; A200-L280 HydrophobicContact CB-CD1 4.11Å; A200-L280 HydrophobicContact CB-CG 4.21Å
201E92Very high90.6Very high95 Ų9571 Ų7144%0.44439%0.385SS..  trans-61.7151.2173.6-167.9177.9174.700111.6G203 I204 L280 V281 L282E201-G203 PolarHBondContact O-N 3.22Å; E201-I204 HydrophobicContact CB-CD1 4.19Å; E201-I204 PolarHBondContact O-N 3.34Å; E201-I204 VanDerWaalsContact O-N 3.13Å; E201-L280 PolarHBondContact N-O 3.15Å; E201-V281 WeakPolarHBondContact OE2-CA 3.42Å; E201-L282 PolarHBondContact OE2-N 2.85Å
202E84.9Confident90.5Very high186 Ų18679.5 Ų79.587%0.86942%0.417SS*.THydrogen-bonded Turntrans-58.1122.8-179.4-163.9170-164.300110.8
203G82.7Confident90.5Very high54 Ų5484.4 Ų84.456%0.55743%0.43SS*.THydrogen-bonded Turntrans109.5-11.9-175.300000114.8E201E201-G203 PolarHBondContact O-N 3.22Å
204I87Confident90.5Very high18 Ų1891.1 Ų91.19%0.09246%0.456CS..  trans-9596.3174.8-56.4174.4000109.4A200 E201 Y207 L280 L282A200-I204 HydrophobicContact CB-CB 4.11Å; A200-I204 HydrophobicContact CB-CG2 4.22Å; E201-I204 HydrophobicContact CB-CD1 4.19Å; E201-I204 PolarHBondContact O-N 3.34Å; E201-I204 VanDerWaalsContact O-N 3.13Å; I204-Y207 HydrophobicContact CG2-CD1 3.77Å; I204-Y207 HydrophobicContact CG2-CE1 4.01Å; I204-Y207 WeakPolarHBondContact O-CE1 3.43Å; I204-L280 HydrophobicContact CD1-CB 3.75Å; I204-L280 HydrophobicContact CG2-CB 4.27Å; I204-L280 HydrophobicContact CG2-CD1 3.89Å; I204-L282 HydrophobicContact CD1-CD2 4.11Å; I204-L282 HydrophobicContact CD1-CG 4.11Å; I204-L282 HydrophobicContact CG1-CD2 3.78Å; I204-L282 HydrophobicContact CG1-CG 4.01Å
205N79.6Confident90.3Very high144 Ų14491.4 Ų91.477%0.7746%0.46SS*.  trans-119.7-1-170.7-62.5-38.4000115.1
206N84.9Confident90.1Very high155 Ų15595.9 Ų95.983%0.82948%0.477SS*.  trans-129.269.3-170.9-161.161.8000112.3
207Y90.9Very high90.1Very high72 Ų7294.7 Ų94.728%0.28247%0.473SS..  trans-132.7151.6174.857.1-92.4000111.3F197 A200 I204 M234 L236 L280F197-Y207 AromaticContact CE1-CE2 3.97Å; F197-Y207 HydrophobicContact CE1-CE2 3.97Å; F197-Y207 AromaticContact CZ-CE2 3.86Å; F197-Y207 HydrophobicContact CZ-CE2 3.86Å; F197-Y207 AromaticContact CZ-CZ 3.77Å; F197-Y207 WeakPolarHBondContact CZ-OH 3.23Å; A200-Y207 HydrophobicContact CB-CE1 3.78Å; I204-Y207 HydrophobicContact CG2-CD1 3.77Å; I204-Y207 HydrophobicContact CG2-CE1 4.01Å; I204-Y207 WeakPolarHBondContact O-CE1 3.43Å; Y207-M234 HydrophobicContact CD2-CE 3.38Å; Y207-M234 HydrophobicContact CE2-CE 3.89Å; Y207-M234 HydrophobicContact CG-CE 4.21Å; Y207-L236 HydrophobicContact CG-CD2 4.25Å; Y207-L280 HydrophobicContact CD1-CD1 3.63Å; Y207-L280 HydrophobicContact CD2-CD1 4.24Å; Y207-L280 HydrophobicContact CE1-CD1 3.86Å; Y207-L280 HydrophobicContact CE2-CD1 4.44Å; Y207-L280 HydrophobicContact CG-CD1 3.82Å
208K91.8Very high90Very high107 Ų10792.8 Ų92.847%0.46547%0.469SS..  trans-85.3136.7173.3-69.5-174.6-178.11660110.2M234 E235K208-M234 PolarHBondContact N-O 3.05Å; K208-M234 WeakPolarHBondContact O-CA 3.32Å; K208-M234 VanDerWaalsContact O-CB 3.26Å; K208-M234 WeakPolarHBondContact O-CB 3.31Å; K208-M234 WeakPolarHBondContact O-CE 3.29Å; K208-M234 VanDerWaalsContact O-CG 3.26Å; K208-M234 WeakPolarHBondContact O-CG 3.34Å; K208-E235 HydrophobicContact CD-CG 4.37Å; K208-E235 WeakPolarHBondContact CD-OE1 3.42Å; K208-E235 WeakPolarHBondContact CD-OE2 3.4Å; K208-E235 WeakPolarHBondContact CE-OE1 3.31Å; K208-E235 WeakPolarHBondContact CE-OE2 3.25Å; K208-E235 IonicContact NZ-OE1 2.72Å; K208-E235 PolarHBondContact NZ-OE1 3.2Å; K208-E235 IonicContact NZ-OE2 2.81Å; K208-E235 PolarHBondContact NZ-OE2 3.03Å
209P89.9Confident90Very high103 Ų10387.9 Ų87.967%0.66944%0.439SS*.  trans-58.8143.4172.8-24.534.3000112E211P209-E211 PolarHBondContact O-N 3.31Å; P209-E211 VanDerWaalsContact O-N 3.08Å
210L91.8Very high90.1Very high21 Ų2192 Ų9211%0.1145%0.451CS..  trans-73101.3174.7-173.667.4000110.4L195 R212 F229 K233 M234 F278L195-L210 HydrophobicContact CB-CD2 3.92Å; L195-L210 HydrophobicContact CD1-CD2 3.97Å; L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 WeakPolarHBondContact CG-O 3.26Å; L210-R212 PolarHBondContact O-N 2.83Å; L210-F229 HydrophobicContact CD1-CE1 4.32Å; L210-K233 HydrophobicContact CD1-CB 3.66Å; L210-K233 HydrophobicContact CD1-CG 4.35Å; L210-M234 HydrophobicContact CB-CG 4.1Å; L210-M234 HydrophobicContact CB-SD 4.12Å; L210-M234 HydrophobicContact CD1-CG 4.44Å; L210-F278 HydrophobicContact CD2-CE1 4.1Å; L210-F278 HydrophobicContact CD2-CZ 4.12Å
211E86.3Confident90.2Very high170 Ų17090.9 Ų90.979%0.79444%0.442SS*.SBendtrans-65.5-31.1-177.5-63.4-179.7172.500113.9P209P209-E211 PolarHBondContact O-N 3.31Å; P209-E211 VanDerWaalsContact O-N 3.08Å
212R89.4Confident90.5Very high180 Ų18087.7 Ų87.768%0.67943%0.429SS*.  trans-122.1106.9-178.4-69.4-178.4179.577.7-2.5109.7L210L210-R212 VanDerWaalsContact C-N 3.32Å; L210-R212 WeakPolarHBondContact CG-O 3.26Å; L210-R212 PolarHBondContact O-N 2.83Å
213R92.3Very high91.1Very high138 Ų13878.9 Ų78.952%0.52139%0.388SS..  trans-85.4-18.6-177-61.7-176.8-170.1-171.70.1113.5L195L195-R213 PolarHBondContact N-O 2.86Å; L195-R213 WeakPolarHBondContact O-CB 3.18Å; L195-R213 WeakPolarHBondContact O-CG 3.39Å
214Y94.6Very high91.7Very high147 Ų14780.9 Ų80.958%0.57638%0.378SS*.EExtended strand (participates in β ladder)trans-97.8131.2-179.1-60.4-83.8000111.5L193 Q194 I273L193-Y214 VanDerWaalsContact O-CA 3.29Å; L193-Y214 WeakPolarHBondContact O-CA 3.46Å; Q194-Y214 HydrophobicContact CB-CD1 4.03Å; Q194-Y214 HydrophobicContact CB-CE1 3.86Å; Q194-Y214 HydrophobicContact CG-CD1 4.34Å; Q194-Y214 HydrophobicContact CG-CE1 3.82Å; Y214-I273 HydrophobicContact CE1-CD1 4.34Å
215V93.1Very high92.2Very high31 Ų3184.6 Ų84.619%0.18840%0.395CS..EExtended strand (participates in β ladder)trans-135.1132.9-178.9-177.30000109.5L193 L195 V217 F229L193-V215 HydrophobicContact CB-CB 4.33Å; L193-V215 PolarHBondContact N-O 2.96Å; L193-V215 PolarHBondContact O-N 3.14Å; L195-V215 HydrophobicContact CD1-CG2 4.02Å; V215-V217 HydrophobicContact CG1-CB 4.42Å; V215-F229 HydrophobicContact CG2-CD1 4.37Å; V215-F229 HydrophobicContact CG2-CE1 3.59Å; V215-F229 HydrophobicContact CG2-CZ 3.66Å
216R91.9Very high93.1Very high95 Ų9578.1 Ų78.136%0.35836%0.361SS..EExtended strand (participates in β ladder)trans-102.3130.7164-82.8-162.962.6166.5-11.3110.6I185 L189 V191 S192I185-R216 VanDerWaalsContact CG2-NE 3.33Å; L189-R216 HydrophobicContact CB-CB 4.43Å; L189-R216 PolarHBondContact O-NE 2.85Å; L189-R216 PolarHBondContact O-NH2 3.36Å; V191-R216 WeakPolarHBondContact O-CA 3.5Å; S192-R216 WeakPolarHBondContact OG-CG 3.37Å
217V94Very high93.6Very high31 Ų3172.4 Ų72.419%0.18833%0.329CS..EExtended strand (participates in β ladder)trans-148.8162.5-171.665.50000109.4L189 D190 V191 L193 V215 A221 L257L189-V217 CarbonylContact C-O 3.5Å; L189-V217 VanDerWaalsContact C-O 3.24Å; L189-V217 WeakPolarHBondContact CA-O 3.37Å; D190-V217 PolarHBondContact N-O 2.91Å; V191-V217 PolarHBondContact N-O 3.47Å; V191-V217 PolarHBondContact O-N 2.97Å; L193-V217 HydrophobicContact CD1-CG1 3.73Å; L193-V217 HydrophobicContact CG-CG1 3.99Å; V215-V217 HydrophobicContact CG1-CB 4.42Å; V217-A221 HydrophobicContact CG2-CB 3.53Å; V217-L257 HydrophobicContact CG1-CD1 3.29Å
218S94.9Very high93.8Very high34 Ų3472.6 Ų72.624%0.23834%0.335CS..  trans-66.7141.1172.1-175.50000111.6E188 E220 A221E188-S218 WeakPolarHBondContact O-CA 3.48Å; E188-S218 WeakPolarHBondContact O-CB 3.36Å; E188-S218 PolarHBondContact O-OG 2.89Å; S218-E220 PolarHBondContact O-N 3.42Å; S218-E220 PolarHBondContact OG-N 3.33Å; S218-A221 VanDerWaalsContact O-CB 3.25Å; S218-A221 WeakPolarHBondContact O-CB 3.25Å; S218-A221 PolarHBondContact O-N 3.44Å
219G92.7Very high94Very high0 Ų070.6 Ų70.60%033%0.326CS..THydrogen-bonded Turntrans-59.8-21.7170.200000113.9D190 V191 A221 L257 R258D190-G219 PolarHBondContact OD1-N 2.96Å; V191-G219 VanDerWaalsContact CG2-CA 3.47Å; G219-A221 VanDerWaalsContact C-N 3.28Å; G219-L257 PolarHBondContact O-N 3.4Å; G219-R258 PolarHBondContact O-N 2.82Å
220E94.4Very high94.3Very high115 Ų11565.7 Ų65.754%0.53729%0.294SS..THydrogen-bonded Turntrans-77.9-11.8174.4-55.4-57.4143.700112.9S218 T222 R258S218-E220 PolarHBondContact O-N 3.42Å; S218-E220 PolarHBondContact OG-N 3.33Å; E220-T222 PolarHBondContact O-N 2.82Å; E220-R258 IonicContact OE1-CZ 3.35Å; E220-R258 IonicContact OE1-NH1 2.73Å; E220-R258 PolarHBondContact OE1-NH1 2.77Å; E220-R258 IonicContact OE1-NH2 3.73Å
221A96.3Very high94.4Very high13 Ų1367.7 Ų67.711%0.10730%0.3CS..  trans-67.9133174.100000109.6V217 S218 G219 H225 L257V217-A221 HydrophobicContact CG2-CB 3.53Å; S218-A221 VanDerWaalsContact O-CB 3.25Å; S218-A221 WeakPolarHBondContact O-CB 3.25Å; S218-A221 PolarHBondContact O-N 3.44Å; G219-A221 VanDerWaalsContact C-N 3.28Å; A221-H225 HydrophobicContact CB-CB 4.35Å; A221-L257 HydrophobicContact CB-CD1 4.15Å; A221-L257 VanDerWaalsContact O-CG 3.25Å; A221-L257 WeakPolarHBondContact O-CG 3.39Å; A221-L257 PolarHBondContact O-N 3.17Å
222T97.5Very high94.7Very high28 Ų2870 Ų7017%0.17230%0.301CS..BIsolated β-bridgetrans-82.6165174.6700000114.4E220 R224 H225 V226 R253 Y254 Q255E220-T222 PolarHBondContact O-N 2.82Å; T222-R224 PolarHBondContact O-N 2.99Å; T222-H225 PolarHBondContact N-ND1 3.38Å; T222-H225 WeakPolarHBondContact O-CB 3.28Å; T222-H225 PolarHBondContact O-N 3.24Å; T222-H225 PolarHBondContact OG1-ND1 3.25Å; T222-V226 PolarHBondContact O-N 2.85Å; T222-R253 WeakPolarHBondContact CB-O 3.15Å; T222-R253 PolarHBondContact OG1-O 3.19Å; T222-Y254 WeakPolarHBondContact CG2-O 3.36Å; T222-Q255 CarbonylContact C-O 3.6Å; T222-Q255 WeakPolarHBondContact CA-O 3.22Å; T222-Q255 VanDerWaalsContact CB-O 3.28Å; T222-Q255 WeakPolarHBondContact CB-O 3.43Å
223V96.9Very high94.9Very high1 Ų167.3 Ų67.31%0.00630%0.295CS..Hα-helixtrans-52.5-37.8171.9175.90000111.5H225 V226 E227 V244 L251 D252 Q255 V260V223-H225 PolarHBondContact O-N 3.32Å; V223-V226 WeakPolarHBondContact O-CA 3.33Å; V223-V226 VanDerWaalsContact O-CB 3.31Å; V223-V226 WeakPolarHBondContact O-CB 3.42Å; V223-V226 PolarHBondContact O-N 3.21Å; V223-E227 PolarHBondContact O-N 3.12Å; V223-V244 HydrophobicContact CG1-CB 3.98Å; V223-V244 HydrophobicContact CG1-CG2 4.18Å; V223-L251 HydrophobicContact CG1-CB 4.1Å; V223-L251 HydrophobicContact CG2-CB 3.81Å; V223-L251 HydrophobicContact CG2-CD1 4.01Å; V223-D252 WeakPolarHBondContact CB-O 3.42Å; V223-D252 WeakPolarHBondContact CG2-O 3.34Å; V223-Q255 HydrophobicContact CG2-CB 4.27Å; V223-Q255 PolarHBondContact N-O 2.9Å; V223-V260 HydrophobicContact CG2-CG2 4.21Å
224R96.6Very high95Very high96 Ų9660.8 Ų60.836%0.36227%0.27SS..Hα-helixtrans-54.6-37172.1-178.2178.7176.4-83.3-2113.4T222 V226 L228 R253T222-R224 PolarHBondContact O-N 2.99Å; R224-V226 VanDerWaalsContact C-N 3.32Å; R224-L228 HydrophobicContact CG-CD1 4.28Å; R224-L228 WeakPolarHBondContact O-CB 3.47Å; R224-L228 VanDerWaalsContact O-CG 3.25Å; R224-L228 WeakPolarHBondContact O-CG 3.45Å; R224-L228 PolarHBondContact O-N 3.21Å; R224-R253 HydrophobicContact CB-CB 4.2Å; R224-R253 WeakPolarHBondContact CB-O 3.28Å; R224-R253 PolarHBondContact N-O 3.41Å
225H97.3Very high95Very high96 Ų9659.3 Ų59.344%0.44427%0.269SS..Hα-helixtrans-68.7-35.2176.3-62.5112.1000111.6A221 T222 V223 L228 F229A221-H225 HydrophobicContact CB-CB 4.35Å; T222-H225 PolarHBondContact N-ND1 3.38Å; T222-H225 WeakPolarHBondContact O-CB 3.28Å; T222-H225 PolarHBondContact O-N 3.24Å; T222-H225 PolarHBondContact OG1-ND1 3.25Å; V223-H225 PolarHBondContact O-N 3.32Å; H225-L228 PolarHBondContact O-N 3.31Å; H225-F229 WeakPolarHBondContact O-CB 3.09Å; H225-F229 PolarHBondContact O-N 3.08Å
226V96.9Very high94.9Very high8 Ų858.9 Ų58.95%0.04827%0.265CS..Hα-helixtrans-65-46.9173.9-176.40000110.4L193 L195 T222 V223 R224 L228 F229 I230 L257 L276L193-V226 HydrophobicContact CD1-CG2 3.99Å; L195-V226 HydrophobicContact CD2-CG1 3.8Å; T222-V226 PolarHBondContact O-N 2.85Å; V223-V226 WeakPolarHBondContact O-CA 3.33Å; V223-V226 VanDerWaalsContact O-CB 3.31Å; V223-V226 WeakPolarHBondContact O-CB 3.42Å; V223-V226 PolarHBondContact O-N 3.21Å; R224-V226 VanDerWaalsContact C-N 3.32Å; V226-L228 PolarHBondContact O-N 3.03Å; V226-F229 WeakPolarHBondContact O-CB 3.2Å; V226-F229 PolarHBondContact O-N 2.99Å; V226-I230 HydrophobicContact CG1-CD1 3.87Å; V226-I230 HydrophobicContact CG1-CG1 4.49Å; V226-I230 WeakPolarHBondContact O-CG1 3.44Å; V226-I230 PolarHBondContact O-N 2.87Å; V226-L257 HydrophobicContact CG2-CD1 4.34Å; V226-L257 HydrophobicContact CG2-CD2 4.11Å; V226-L276 HydrophobicContact CG1-CD1 4.35Å; V226-L276 HydrophobicContact CG2-CD1 4.48Å
227E96.2Very high94.7Very high34 Ų3456.9 Ų56.916%0.15927%0.266CS..Hα-helixtrans-54.1-50.8173.3-66.5166.9-156.400111.1V223 F229 I230 R231 V242 V244 R253V223-E227 PolarHBondContact O-N 3.12Å; E227-F229 VanDerWaalsContact C-N 3.32Å; E227-F229 PolarHBondContact O-N 2.81Å; E227-I230 PolarHBondContact O-N 2.77Å; E227-R231 WeakPolarHBondContact O-CB 3.5Å; E227-R231 WeakPolarHBondContact O-CG 3.47Å; E227-R231 PolarHBondContact O-N 3Å; E227-V242 HydrophobicContact CB-CB 4.43Å; E227-V242 HydrophobicContact CG-CB 4.39Å; E227-V244 HydrophobicContact CG-CG2 4.09Å; E227-R253 WeakPolarHBondContact OE1-CB 3.39Å
228L94.9Very high94.3Very high77 Ų7761.2 Ų61.240%0.40330%0.295SS..Hα-helixtrans-62.5-38.6179.9-73.3174.2000112.4R224 H225 V226 R232R224-L228 HydrophobicContact CG-CD1 4.28Å; R224-L228 WeakPolarHBondContact O-CB 3.47Å; R224-L228 VanDerWaalsContact O-CG 3.25Å; R224-L228 WeakPolarHBondContact O-CG 3.45Å; R224-L228 PolarHBondContact O-N 3.21Å; H225-L228 PolarHBondContact O-N 3.31Å; V226-L228 PolarHBondContact O-N 3.03Å; L228-R232 WeakPolarHBondContact O-CB 3.35Å; L228-R232 PolarHBondContact O-N 2.87Å
229F95.9Very high93.9Very high65 Ų6563.9 Ų63.929%0.28531%0.309SS..Hα-helixtrans-61.7-50.5174.8171.2-95.8000111.1L195 L210 V215 H225 V226 E227 R231 R232 K233L195-F229 HydrophobicContact CD1-CD1 3.93Å; L195-F229 HydrophobicContact CD1-CE1 3.79Å; L210-F229 HydrophobicContact CD1-CE1 4.32Å; V215-F229 HydrophobicContact CG2-CD1 4.37Å; V215-F229 HydrophobicContact CG2-CE1 3.59Å; V215-F229 HydrophobicContact CG2-CZ 3.66Å; H225-F229 WeakPolarHBondContact O-CB 3.09Å; H225-F229 PolarHBondContact O-N 3.08Å; V226-F229 WeakPolarHBondContact O-CB 3.2Å; V226-F229 PolarHBondContact O-N 2.99Å; E227-F229 VanDerWaalsContact C-N 3.32Å; E227-F229 PolarHBondContact O-N 2.81Å; F229-R231 PolarHBondContact O-N 2.95Å; F229-R232 PolarHBondContact O-N 3.2Å; F229-K233 HydrophobicContact CD2-CG 4.13Å; F229-K233 HydrophobicContact CE1-CG 4.15Å; F229-K233 HydrophobicContact CE2-CD 4.42Å; F229-K233 HydrophobicContact CE2-CG 3.73Å; F229-K233 HydrophobicContact CZ-CG 3.74Å; F229-K233 WeakPolarHBondContact O-CB 3.16Å; F229-K233 WeakPolarHBondContact O-CG 3.23Å; F229-K233 PolarHBondContact O-N 3.46Å
230I95.9Very high93.7Very high0 Ų063.9 Ų63.90%031%0.31CS..Hα-helixtrans-59.3-49.5178.5-68.4165.3000109.9L195 V226 E227 R232 K233 M234 L236 V242 F278L195-I230 HydrophobicContact CD1-CD1 4.38Å; L195-I230 HydrophobicContact CD1-CG1 4.08Å; V226-I230 HydrophobicContact CG1-CD1 3.87Å; V226-I230 HydrophobicContact CG1-CG1 4.49Å; V226-I230 WeakPolarHBondContact O-CG1 3.44Å; V226-I230 PolarHBondContact O-N 2.87Å; E227-I230 PolarHBondContact O-N 2.77Å; I230-R232 VanDerWaalsContact C-N 3.31Å; I230-R232 PolarHBondContact O-N 3.23Å; I230-K233 PolarHBondContact O-N 2.84Å; I230-M234 HydrophobicContact CG2-CG 4.33Å; I230-M234 HydrophobicContact CG2-SD 3.72Å; I230-M234 WeakPolarHBondContact O-CB 3.28Å; I230-M234 PolarHBondContact O-N 2.97Å; I230-L236 HydrophobicContact CG2-CD1 4.43Å; I230-V242 HydrophobicContact CB-CG1 4.37Å; I230-V242 HydrophobicContact CD1-CG1 3.99Å; I230-V242 HydrophobicContact CG2-CG1 4.07Å; I230-V242 HydrophobicContact CG2-CG2 4.16Å; I230-F278 HydrophobicContact CD1-CB 4Å; I230-F278 HydrophobicContact CD1-CD1 3.93Å; I230-F278 HydrophobicContact CD1-CD2 3.98Å; I230-F278 HydrophobicContact CD1-CE1 4.4Å; I230-F278 HydrophobicContact CD1-CE2 4.44Å; I230-F278 HydrophobicContact CD1-CG 3.69Å; I230-F278 HydrophobicContact CG2-CD2 3.82Å; I230-F278 HydrophobicContact CG2-CE2 3.58Å; I230-F278 HydrophobicContact CG2-CZ 4.2Å
231R94.1Very high93.6Very high62 Ų6262.8 Ų62.823%0.23430%0.304CS..Hα-helixtrans-54.1-47177.7-72.9177.675.5106.615.1112.6E227 F229 E235 L236 S237 P238 C240 V242E227-R231 WeakPolarHBondContact O-CB 3.5Å; E227-R231 WeakPolarHBondContact O-CG 3.47Å; E227-R231 PolarHBondContact O-N 3Å; F229-R231 PolarHBondContact O-N 2.95Å; R231-E235 PolarHBondContact O-N 2.77Å; R231-E235 VanDerWaalsContact O-N 3.1Å; R231-L236 HydrophobicContact CB-CB 4.47Å; R231-L236 HydrophobicContact CB-CD1 4.43Å; R231-L236 HydrophobicContact CG-CB 4.46Å; R231-L236 HydrophobicContact CG-CD1 4.01Å; R231-L236 PolarHBondContact O-N 2.97Å; R231-S237 PolarHBondContact NH2-O 3.32Å; R231-P238 VanDerWaalsContact NH2-C 3.34Å; R231-P238 VanDerWaalsContact NH2-CA 3.29Å; R231-P238 PolarHBondContact NH2-O 3.28Å; R231-C240 PolarHBondContact NH1-O 2.96Å; R231-C240 PolarHBondContact NH2-O 2.87Å; R231-V242 HydrophobicContact CG-CG2 3.71Å
232R93.5Very high93.6Very high218 Ų21862.4 Ų62.482%0.82330%0.301SS*.Hα-helixtrans-70-38.7-179-171.8171.5-175128.31.2112L228 F229 I230L228-R232 WeakPolarHBondContact O-CB 3.35Å; L228-R232 PolarHBondContact O-N 2.87Å; F229-R232 PolarHBondContact O-N 3.2Å; I230-R232 VanDerWaalsContact C-N 3.31Å; I230-R232 PolarHBondContact O-N 3.23Å
233K93.6Very high93.5Very high125 Ų12564 Ų6454%0.54331%0.308SS..Hα-helixtrans-76.8-32.1-178.1-75.7-64.9-176-177.70113.7L210 F229 I230L210-K233 HydrophobicContact CD1-CB 3.66Å; L210-K233 HydrophobicContact CD1-CG 4.35Å; F229-K233 HydrophobicContact CD2-CG 4.13Å; F229-K233 HydrophobicContact CE1-CG 4.15Å; F229-K233 HydrophobicContact CE2-CD 4.42Å; F229-K233 HydrophobicContact CE2-CG 3.73Å; F229-K233 HydrophobicContact CZ-CG 3.74Å; F229-K233 WeakPolarHBondContact O-CB 3.16Å; F229-K233 WeakPolarHBondContact O-CG 3.23Å; F229-K233 PolarHBondContact O-N 3.46Å; I230-K233 PolarHBondContact O-N 2.84Å
234M94.4Very high93.4Very high1 Ų164 Ų641%0.00531%0.308CS..THydrogen-bonded Turntrans-93.61.5177.5-62.7-174.56600113.2Y207 K208 L210 I230 L236 F278Y207-M234 HydrophobicContact CD2-CE 3.38Å; Y207-M234 HydrophobicContact CE2-CE 3.89Å; Y207-M234 HydrophobicContact CG-CE 4.21Å; K208-M234 PolarHBondContact N-O 3.05Å; K208-M234 WeakPolarHBondContact O-CA 3.32Å; K208-M234 VanDerWaalsContact O-CB 3.26Å; K208-M234 WeakPolarHBondContact O-CB 3.31Å; K208-M234 WeakPolarHBondContact O-CE 3.29Å; K208-M234 VanDerWaalsContact O-CG 3.26Å; K208-M234 WeakPolarHBondContact O-CG 3.34Å; L210-M234 HydrophobicContact CB-CG 4.1Å; L210-M234 HydrophobicContact CB-SD 4.12Å; L210-M234 HydrophobicContact CD1-CG 4.44Å; I230-M234 HydrophobicContact CG2-CG 4.33Å; I230-M234 HydrophobicContact CG2-SD 3.72Å; I230-M234 WeakPolarHBondContact O-CB 3.28Å; I230-M234 PolarHBondContact O-N 2.97Å; M234-L236 VanDerWaalsContact C-N 3.3Å; M234-L236 HydrophobicContact CB-CD2 3.65Å; M234-L236 HydrophobicContact CB-CG 3.87Å; M234-L236 PolarHBondContact O-N 2.71Å; M234-F278 HydrophobicContact CE-CE2 4.37Å; M234-F278 HydrophobicContact SD-CE2 3.5Å; M234-F278 VanDerWaalsContact SD-CE2 3.5Å; M234-F278 HydrophobicContact SD-CZ 3.73Å
235E93Very high93.3Very high116 Ų11661.3 Ų61.354%0.54230%0.303SS..THydrogen-bonded Turntrans54.443.7179.8-63.7175.2-161.300112.9K208 R231K208-E235 HydrophobicContact CD-CG 4.37Å; K208-E235 WeakPolarHBondContact CD-OE1 3.42Å; K208-E235 WeakPolarHBondContact CD-OE2 3.4Å; K208-E235 WeakPolarHBondContact CE-OE1 3.31Å; K208-E235 WeakPolarHBondContact CE-OE2 3.25Å; K208-E235 IonicContact NZ-OE1 2.72Å; K208-E235 PolarHBondContact NZ-OE1 3.2Å; K208-E235 IonicContact NZ-OE2 2.81Å; K208-E235 PolarHBondContact NZ-OE2 3.03Å; R231-E235 PolarHBondContact O-N 2.77Å; R231-E235 VanDerWaalsContact O-N 3.1Å
236L92.1Very high93.1Very high21 Ų2156.8 Ų56.811%0.1128%0.282CS..  trans-70.6146.9-174.5-55.9-175.1000112.3Y207 I230 R231 M234 C240 V242 L280Y207-L236 HydrophobicContact CG-CD2 4.25Å; I230-L236 HydrophobicContact CG2-CD1 4.43Å; R231-L236 HydrophobicContact CB-CB 4.47Å; R231-L236 HydrophobicContact CB-CD1 4.43Å; R231-L236 HydrophobicContact CG-CB 4.46Å; R231-L236 HydrophobicContact CG-CD1 4.01Å; R231-L236 PolarHBondContact O-N 2.97Å; M234-L236 VanDerWaalsContact C-N 3.3Å; M234-L236 HydrophobicContact CB-CD2 3.65Å; M234-L236 HydrophobicContact CB-CG 3.87Å; M234-L236 PolarHBondContact O-N 2.71Å; L236-C240 HydrophobicContact CB-CB 4.4Å; L236-V242 HydrophobicContact CD1-CG2 3.54Å; L236-L280 HydrophobicContact CD1-CD1 4.42Å; L236-L280 HydrophobicContact CD1-CD2 3.47Å; L236-L280 VanDerWaalsContact CD1-CD2 3.47Å; L236-L280 HydrophobicContact CD2-CD1 3.77Å; L236-L280 HydrophobicContact CD2-CD2 4.32Å
237S88.2Confident92.6Very high54 Ų5458.9 Ų58.938%0.37831%0.305SS..  trans-62.3156.8174.873.10000111.7R231 T239 C240R231-S237 PolarHBondContact NH2-O 3.32Å; S237-T239 PolarHBondContact O-N 3.24Å; S237-T239 PolarHBondContact OG-OG1 3.3Å; S237-T239 VanDerWaalsContact OG-OG1 3.05Å; S237-C240 PolarHBondContact O-N 2.86Å; S237-C240 WeakPolarHBondContact OG-CB 3.45Å; S237-C240 PolarHBondContact OG-N 3.36Å
238P85.6Confident92.1Very high122 Ų12265 Ų6579%0.79234%0.338SS*.SBendtrans-58.8-33.9176.3-24.634.5000113.2R231R231-P238 VanDerWaalsContact NH2-C 3.34Å; R231-P238 VanDerWaalsContact NH2-CA 3.29Å; R231-P238 PolarHBondContact NH2-O 3.28Å
239T85.2Confident91.8Very high89 Ų8966.6 Ų66.655%0.54634%0.344SS..SBendtrans-76.2-27.9-177.752.10000113.1S237 P283S237-T239 PolarHBondContact O-N 3.24Å; S237-T239 PolarHBondContact OG-OG1 3.3Å; S237-T239 VanDerWaalsContact OG-OG1 3.05Å; T239-P283 WeakPolarHBondContact O-CD 3.39Å; T239-P283 WeakPolarHBondContact O-CG 3.4Å
240C89.9Confident91.7Very high1 Ų169.1 Ų69.11%0.00736%0.359CS..  trans-68.9132.4177.5179.10000110.7R231 L236 S237R231-C240 PolarHBondContact NH1-O 2.96Å; R231-C240 PolarHBondContact NH2-O 2.87Å; L236-C240 HydrophobicContact CB-CB 4.4Å; S237-C240 PolarHBondContact O-N 2.86Å; S237-C240 WeakPolarHBondContact OG-CB 3.45Å; S237-C240 PolarHBondContact OG-N 3.36Å
241Q91.8Very high91.6Very high91 Ų9169.9 Ų69.943%0.42536%0.363SS..EExtended strand (participates in β ladder)trans-103.9158.4172.5-62.6-173.73.700110.2L280 V281Q241-L280 WeakPolarHBondContact O-CA 3.34Å; Q241-V281 HydrophobicContact CB-CG2 3.71Å; Q241-V281 PolarHBondContact N-O 2.72Å; Q241-V281 PolarHBondContact O-N 2.81Å
242V95.5Very high91.6Very high6 Ų671 Ų714%0.03637%0.374CS..EExtended strand (participates in β ladder)trans-121.4115.3179-179.60000106.8E227 I230 R231 L236 V244 F278 G279 L280E227-V242 HydrophobicContact CB-CB 4.43Å; E227-V242 HydrophobicContact CG-CB 4.39Å; I230-V242 HydrophobicContact CB-CG1 4.37Å; I230-V242 HydrophobicContact CD1-CG1 3.99Å; I230-V242 HydrophobicContact CG2-CG1 4.07Å; I230-V242 HydrophobicContact CG2-CG2 4.16Å; R231-V242 HydrophobicContact CG-CG2 3.71Å; L236-V242 HydrophobicContact CD1-CG2 3.54Å; V242-V244 HydrophobicContact CG1-CG2 4.16Å; V242-F278 HydrophobicContact CG1-CB 4.16Å; V242-F278 HydrophobicContact CG1-CD2 4.19Å; V242-G279 WeakPolarHBondContact CA-O 3.5Å; V242-L280 HydrophobicContact CG2-CD2 3.95Å
243D95.1Very high91.6Very high60 Ų6065.2 Ų65.232%0.32135%0.352SS..EExtended strand (participates in β ladder)trans-93.1135.6171.9-75.3-10.2000108.7L250 F278 G279D243-L250 HydrophobicContact CB-CD1 4.04Å; D243-F278 CarbonylContact O-C 3.49Å; D243-F278 WeakPolarHBondContact O-CA 3.03Å; D243-F278 WeakPolarHBondContact O-CB 3.49Å; D243-G279 PolarHBondContact N-O 3.43Å; D243-G279 PolarHBondContact O-N 2.93Å
244V96.1Very high91.7Very high2 Ų266.8 Ų66.81%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-121.4129-178.9-171.50000108.9V223 E227 V242 L251 L276 H277 F278V223-V244 HydrophobicContact CG1-CB 3.98Å; V223-V244 HydrophobicContact CG1-CG2 4.18Å; E227-V244 HydrophobicContact CG-CG2 4.09Å; V242-V244 HydrophobicContact CG1-CG2 4.16Å; V244-L251 HydrophobicContact CG1-CD1 4.15Å; V244-L251 WeakPolarHBondContact O-CB 3.28Å; V244-L251 PolarHBondContact O-N 2.93Å; V244-L276 HydrophobicContact CG1-CB 3.99Å; V244-L276 HydrophobicContact CG1-CD1 4.16Å; V244-L276 HydrophobicContact CG1-CG 4.46Å; V244-H277 CarbonylContact C-O 3.59Å; V244-H277 WeakPolarHBondContact CA-O 3.39Å; V244-F278 HydrophobicContact CG2-CB 4.4Å
245V94.3Very high91.8Very high40 Ų4069.6 Ų69.624%0.24237%0.369CS..EExtended strand (participates in β ladder)trans-127.2143.2-175.1-175.20000108.8G247 H249 L250 H277V245-G247 VanDerWaalsContact CG1-O 3.28Å; V245-G247 WeakPolarHBondContact CG1-O 3.44Å; V245-H249 VanDerWaalsContact CA-O 3.31Å; V245-H249 WeakPolarHBondContact CA-O 3.35Å; V245-H249 WeakPolarHBondContact CG1-O 3.35Å; V245-L250 HydrophobicContact CG2-CD1 3.9Å; V245-H277 HydrophobicContact CB-CB 4.43Å; V245-H277 PolarHBondContact N-O 2.94Å; V245-H277 PolarHBondContact O-N 2.99Å
246C92.6Very high91.9Very high1 Ų164.7 Ų64.71%0.00735%0.348CS..EExtended strand (participates in β ladder)trans-125.4119.9168.8-170.30000109.3D248 H249 L251 V260 L264 A268 V275 L276C246-D248 PolarHBondContact O-N 2.85Å; C246-H249 PolarHBondContact N-O 2.91Å; C246-H249 PolarHBondContact O-N 2.93Å; C246-L251 HydrophobicContact CB-CD1 4.08Å; C246-L251 HydrophobicContact CB-CD2 4.12Å; C246-L251 HydrophobicContact CB-CG 4.35Å; C246-V260 HydrophobicContact CB-CG1 4.36Å; C246-L264 HydrophobicContact CB-CD1 3.53Å; C246-L264 VanDerWaalsContact SG-CD1 3.6Å; C246-A268 VanDerWaalsContact SG-CB 3.5Å; C246-V275 PolarHBondContact SG-O 2.99Å; C246-L276 HydrophobicContact CB-CD2 3.77Å
247G87.1Confident92Very high51 Ų5163.7 Ų63.753%0.52634%0.342SS..THydrogen-bonded Turntrans56.8-119-164.300000110.6V245V245-G247 VanDerWaalsContact CG1-O 3.28Å; V245-G247 WeakPolarHBondContact CG1-O 3.44Å
248D85.1Confident92.2Very high162 Ų16266.8 Ų66.887%0.86635%0.346SS*.THydrogen-bonded Turntrans-101.38177.7-62.1-40.7000113.7C246C246-D248 PolarHBondContact O-N 2.85Å
249H89.8Confident92.5Very high112 Ų11266.2 Ų66.252%0.51933%0.333SS..EExtended strand (participates in β ladder)trans-104.8117.1-173.7-59.787.1000111.6V245 C246 L251 L264V245-H249 VanDerWaalsContact CA-O 3.31Å; V245-H249 WeakPolarHBondContact CA-O 3.35Å; V245-H249 WeakPolarHBondContact CG1-O 3.35Å; C246-H249 PolarHBondContact N-O 2.91Å; C246-H249 PolarHBondContact O-N 2.93Å; H249-L251 PolarHBondContact O-N 2.98Å; H249-L264 HydrophobicContact CB-CD2 4.07Å; H249-L264 WeakPolarHBondContact ND1-CD2 3.43Å
250L92.5Very high92.8Very high117 Ų11762 Ų6261%0.61331%0.307SS*.EExtended strand (participates in β ladder)trans-68124.3168-176.767.7000109.1D243 V245D243-L250 HydrophobicContact CB-CD1 4.04Å; V245-L250 HydrophobicContact CG2-CD1 3.9Å
251L94.3Very high92.7Very high16 Ų1664 Ų648%0.08432%0.316CS..PPolyproline II helixtrans-88.2140.1-174.1-55.7-176.8000111.4V223 V244 C246 H249 V260 L264 L276V223-L251 HydrophobicContact CG1-CB 4.1Å; V223-L251 HydrophobicContact CG2-CB 3.81Å; V223-L251 HydrophobicContact CG2-CD1 4.01Å; V244-L251 HydrophobicContact CG1-CD1 4.15Å; V244-L251 WeakPolarHBondContact O-CB 3.28Å; V244-L251 PolarHBondContact O-N 2.93Å; C246-L251 HydrophobicContact CB-CD1 4.08Å; C246-L251 HydrophobicContact CB-CD2 4.12Å; C246-L251 HydrophobicContact CB-CG 4.35Å; H249-L251 PolarHBondContact O-N 2.98Å; L251-V260 HydrophobicContact CD1-CG1 3.88Å; L251-V260 HydrophobicContact CD1-CG2 4.05Å; L251-V260 HydrophobicContact CD2-CG1 3.99Å; L251-V260 HydrophobicContact CD2-CG2 4.18Å; L251-L264 HydrophobicContact CD2-CD1 4.38Å; L251-L276 HydrophobicContact CD1-CD2 3.8Å
252D93.6Very high92.3Very high86 Ų8662.9 Ų62.946%0.4633%0.328SS..PPolyproline II helixtrans-80.8135.8174-178.6-71.2000110.3V223 Y254 Q255V223-D252 WeakPolarHBondContact CB-O 3.42Å; V223-D252 WeakPolarHBondContact CG2-O 3.34Å; D252-Y254 PolarHBondContact O-N 3.02Å; D252-Y254 WeakPolarHBondContact OD1-CB 3.48Å; D252-Y254 VanDerWaalsContact OD1-CD2 3.25Å; D252-Y254 WeakPolarHBondContact OD1-CD2 3.39Å; D252-Y254 PolarHBondContact OD1-N 2.92Å; D252-Q255 HydrophobicContact CB-CG 4.04Å; D252-Q255 WeakPolarHBondContact O-CB 3.49Å; D252-Q255 PolarHBondContact O-N 3.45Å
253R94.9Very high91.7Very high97 Ų9766.4 Ų66.437%0.36635%0.353SS..THydrogen-bonded Turntrans-55.6-23-176.471.3-168.5-52.6-124.66.8115T222 R224 E227T222-R253 WeakPolarHBondContact CB-O 3.15Å; T222-R253 PolarHBondContact OG1-O 3.19Å; R224-R253 HydrophobicContact CB-CB 4.2Å; R224-R253 WeakPolarHBondContact CB-O 3.28Å; R224-R253 PolarHBondContact N-O 3.41Å; E227-R253 WeakPolarHBondContact OE1-CB 3.39Å
254Y95.8Very high90.8Very high157 Ų15765 Ų6562%0.61635%0.346SS*.THydrogen-bonded Turntrans-92.2-12.6-179.6-59.2-75.1000113.5T222 D252T222-Y254 WeakPolarHBondContact CG2-O 3.36Å; D252-Y254 PolarHBondContact O-N 3.02Å; D252-Y254 WeakPolarHBondContact OD1-CB 3.48Å; D252-Y254 VanDerWaalsContact OD1-CD2 3.25Å; D252-Y254 WeakPolarHBondContact OD1-CD2 3.39Å; D252-Y254 PolarHBondContact OD1-N 2.92Å
255Q94.8Very high89.4Confident61 Ų6166.5 Ų66.529%0.28536%0.361SS..  trans-65.7134.9176.4-70.8175.3-45.500110.8T222 V223 D252 E259 V260T222-Q255 CarbonylContact C-O 3.6Å; T222-Q255 WeakPolarHBondContact CA-O 3.22Å; T222-Q255 VanDerWaalsContact CB-O 3.28Å; T222-Q255 WeakPolarHBondContact CB-O 3.43Å; V223-Q255 HydrophobicContact CG2-CB 4.27Å; V223-Q255 PolarHBondContact N-O 2.9Å; D252-Q255 HydrophobicContact CB-CG 4.04Å; D252-Q255 WeakPolarHBondContact O-CB 3.49Å; D252-Q255 PolarHBondContact O-N 3.45Å; Q255-E259 WeakPolarHBondContact CA-OE2 3.28Å; Q255-V260 HydrophobicContact CB-CG2 4.06Å
256S96Very high88.1Confident13 Ų1371.2 Ų71.29%0.09139%0.385CS..BIsolated β-bridgetrans-75.8152.5170.871.80000111.1R258 E259 V260S256-R258 PolarHBondContact O-N 3.3Å; S256-E259 PolarHBondContact N-OE2 3.4Å; S256-E259 WeakPolarHBondContact O-CB 3.43Å; S256-E259 PolarHBondContact O-N 2.82Å; S256-E259 VanDerWaalsContact O-N 3.07Å; S256-E259 WeakPolarHBondContact OG-CB 3.39Å; S256-E259 VanDerWaalsContact OG-CD 3.27Å; S256-E259 WeakPolarHBondContact OG-CG 3.42Å; S256-E259 PolarHBondContact OG-N 2.97Å; S256-E259 VanDerWaalsContact OG-N 3.12Å; S256-E259 PolarHBondContact OG-OE2 3.23Å; S256-V260 WeakPolarHBondContact O-CG2 3.07Å; S256-V260 PolarHBondContact O-N 2.84Å
257L94.9Very high87.1Confident0 Ų079 Ų790%043%0.427CS..Hα-helixtrans-62.5-29.6177.4-69.3168.6000112.2V191 L193 V217 G219 A221 V226 V260 Q261 L274 L276V191-L257 HydrophobicContact CG1-CB 4.33Å; V191-L257 HydrophobicContact CG1-CD1 4.49Å; L193-L257 HydrophobicContact CD1-CD1 3.89Å; L193-L257 HydrophobicContact CD1-CD2 4.35Å; L193-L257 HydrophobicContact CD2-CD1 4.13Å; L193-L257 HydrophobicContact CD2-CD2 4Å; L193-L257 HydrophobicContact CG-CD1 4.41Å; V217-L257 HydrophobicContact CG1-CD1 3.29Å; G219-L257 PolarHBondContact O-N 3.4Å; A221-L257 HydrophobicContact CB-CD1 4.15Å; A221-L257 VanDerWaalsContact O-CG 3.25Å; A221-L257 WeakPolarHBondContact O-CG 3.39Å; A221-L257 PolarHBondContact O-N 3.17Å; V226-L257 HydrophobicContact CG2-CD1 4.34Å; V226-L257 HydrophobicContact CG2-CD2 4.11Å; L257-V260 PolarHBondContact O-N 2.96Å; L257-Q261 WeakPolarHBondContact O-CG 3.38Å; L257-Q261 PolarHBondContact O-N 2.78Å; L257-L274 HydrophobicContact CD2-CD2 4.01Å; L257-L276 HydrophobicContact CD2-CD1 4.01Å
258R92Very high86.3Confident119 Ų11977 Ų7745%0.44941%0.405SS..Hα-helixtrans-67.9-40.1172.4-172179.6-73157.22.5112.2D190 G219 E220 S256 Q261 G262D190-R258 IonicContact OD2-CZ 3.93Å; D190-R258 IonicContact OD2-NH2 2.88Å; D190-R258 PolarHBondContact OD2-NH2 3.01Å; G219-R258 PolarHBondContact O-N 2.82Å; E220-R258 IonicContact OE1-CZ 3.35Å; E220-R258 IonicContact OE1-NH1 2.73Å; E220-R258 PolarHBondContact OE1-NH1 2.77Å; E220-R258 IonicContact OE1-NH2 3.73Å; S256-R258 PolarHBondContact O-N 3.3Å; R258-Q261 PolarHBondContact O-N 2.84Å; R258-G262 PolarHBondContact O-N 2.65Å
259E92.1Very high86.1Confident110 Ų11071.9 Ų71.951%0.51438%0.378SS..Hα-helixtrans-64.5-41.6173.6-75.5162.5179.200111.5Q255 S256 Q261 G262 S263Q255-E259 WeakPolarHBondContact CA-OE2 3.28Å; S256-E259 PolarHBondContact N-OE2 3.4Å; S256-E259 WeakPolarHBondContact O-CB 3.43Å; S256-E259 PolarHBondContact O-N 2.82Å; S256-E259 VanDerWaalsContact O-N 3.07Å; S256-E259 WeakPolarHBondContact OG-CB 3.39Å; S256-E259 VanDerWaalsContact OG-CD 3.27Å; S256-E259 WeakPolarHBondContact OG-CG 3.42Å; S256-E259 PolarHBondContact OG-N 2.97Å; S256-E259 VanDerWaalsContact OG-N 3.12Å; S256-E259 PolarHBondContact OG-OE2 3.23Å; E259-Q261 PolarHBondContact O-N 2.78Å; E259-G262 PolarHBondContact O-N 2.86Å; E259-S263 VanDerWaalsContact O-CB 3.27Å; E259-S263 WeakPolarHBondContact O-CB 3.42Å; E259-S263 PolarHBondContact O-N 3.27Å; E259-S263 PolarHBondContact O-OG 2.91Å
260V91.1Very high85.8Confident0 Ų071.8 Ų71.80%038%0.378CS..Hα-helixtrans-58.8-49.2175.8175.80000110.2V223 C246 L251 Q255 S256 L257 G262 S263 L264 L274V223-V260 HydrophobicContact CG2-CG2 4.21Å; C246-V260 HydrophobicContact CB-CG1 4.36Å; L251-V260 HydrophobicContact CD1-CG1 3.88Å; L251-V260 HydrophobicContact CD1-CG2 4.05Å; L251-V260 HydrophobicContact CD2-CG1 3.99Å; L251-V260 HydrophobicContact CD2-CG2 4.18Å; Q255-V260 HydrophobicContact CB-CG2 4.06Å; S256-V260 WeakPolarHBondContact O-CG2 3.07Å; S256-V260 PolarHBondContact O-N 2.84Å; L257-V260 PolarHBondContact O-N 2.96Å; V260-G262 PolarHBondContact O-N 3.5Å; V260-S263 PolarHBondContact O-N 3.18Å; V260-S263 PolarHBondContact O-OG 3.31Å; V260-L264 HydrophobicContact CG1-CD1 3.8Å; V260-L264 PolarHBondContact O-N 3.3Å; V260-L274 HydrophobicContact CG1-CD1 4.34Å; V260-L274 HydrophobicContact CG1-CD2 4.23Å
261Q88.1Confident85.3Confident43 Ų4373.8 Ų73.820%0.20139%0.389CS..Hα-helixtrans-58.7-43.8174.5-73.2176.3-27.700113L257 R258 E259 G265 L274L257-Q261 WeakPolarHBondContact O-CG 3.38Å; L257-Q261 PolarHBondContact O-N 2.78Å; R258-Q261 PolarHBondContact O-N 2.84Å; E259-Q261 PolarHBondContact O-N 2.78Å; Q261-G265 PolarHBondContact O-N 3.1Å; Q261-L274 HydrophobicContact CG-CB 4.49Å; Q261-L274 HydrophobicContact CG-CD1 4.11Å; Q261-L274 HydrophobicContact CG-CD2 3.98Å; Q261-L274 HydrophobicContact CG-CG 4.43Å
262G83.8Confident84.7Confident67 Ų6775.6 Ų75.669%0.69141%0.411SS*.Hα-helixtrans-69.7-32.7-178.400000113.9R258 E259 V260R258-G262 PolarHBondContact O-N 2.65Å; E259-G262 PolarHBondContact O-N 2.86Å; V260-G262 PolarHBondContact O-N 3.5Å
263S81.1Confident84.5Confident80 Ų8073.6 Ų73.656%0.55940%0.4SS*.Hα-helixtrans-80.5-32.5-176.464.60000113.7E259 V260E259-S263 VanDerWaalsContact O-CB 3.27Å; E259-S263 WeakPolarHBondContact O-CB 3.42Å; E259-S263 PolarHBondContact O-N 3.27Å; E259-S263 PolarHBondContact O-OG 2.91Å; V260-S263 PolarHBondContact O-N 3.18Å; V260-S263 PolarHBondContact O-OG 3.31Å
264L76.1Confident84.4Confident31 Ų3169 Ų6916%0.16238%0.383CS..Hα-helixtrans-100.5-12.3-175.2-63.5168.6000113.7C246 H249 L251 V260 A268C246-L264 HydrophobicContact CB-CD1 3.53Å; C246-L264 VanDerWaalsContact SG-CD1 3.6Å; H249-L264 HydrophobicContact CB-CD2 4.07Å; H249-L264 WeakPolarHBondContact ND1-CD2 3.43Å; L251-L264 HydrophobicContact CD2-CD1 4.38Å; V260-L264 HydrophobicContact CG1-CD1 3.8Å; V260-L264 PolarHBondContact O-N 3.3Å; L264-A268 HydrophobicContact CB-CB 3.61Å; L264-A268 HydrophobicContact CD1-CB 4.2Å
265G68.1Low84.3Confident33 Ų3362.3 Ų62.334%0.3436%0.358SS..G310 helixtrans65.9-155.7176.800000113.8Q261 D267 A268Q261-G265 PolarHBondContact O-N 3.1Å; G265-D267 PolarHBondContact O-N 3.48Å; G265-A268 PolarHBondContact O-N 3.02Å
266D67.3Low84.4Confident139 Ų13959.5 Ų59.574%0.74335%0.345SS*.G310 helixtrans-65.2-21.8-175.4-71.4-18000113.1A268 L269D266-A268 PolarHBondContact O-N 2.84Å; D266-L269 PolarHBondContact O-N 2.94Å; D266-L269 VanDerWaalsContact O-N 3.08Å
267D69.9Low84.4Confident165 Ų16561.8 Ų61.888%0.88235%0.354SS*.G310 helixtrans-67.2-21.7-179.7-67.3-26.1000112.9G265G265-D267 PolarHBondContact O-N 3.48Å
268A70.9Confident84.4Confident8 Ų861.9 Ų61.97%0.06636%0.355CS..G310 helixtrans-85.1-11.4175.700000113.6C246 L264 G265 D266 L274 V275C246-A268 VanDerWaalsContact SG-CB 3.5Å; L264-A268 HydrophobicContact CB-CB 3.61Å; L264-A268 HydrophobicContact CD1-CB 4.2Å; G265-A268 PolarHBondContact O-N 3.02Å; D266-A268 PolarHBondContact O-N 2.84Å; A268-L274 HydrophobicContact CB-CD1 3.79Å; A268-V275 PolarHBondContact O-N 3.03Å
269L81.9Confident84.6Confident55 Ų5557 Ų5729%0.28834%0.342SS..EExtended strand (participates in β ladder)trans-111.2119.3-171.7-76.1153.7000110.8D266 I273 L274D266-L269 PolarHBondContact O-N 2.94Å; D266-L269 VanDerWaalsContact O-N 3.08Å; L269-I273 CarbonylContact C-O 3.24Å; L269-I273 WeakPolarHBondContact CA-O 3.35Å; L269-L274 HydrophobicContact CD2-CB 4.5Å
270Q81.7Confident84.7Confident111 Ų11151.9 Ų51.952%0.51932%0.318SS..EExtended strand (participates in β ladder)trans-104.9113.8168.8-171.1172.9-300109.2G272 I273 V275Q270-G272 PolarHBondContact O-N 3.12Å; Q270-G272 VanDerWaalsContact O-N 3.12Å; Q270-I273 PolarHBondContact N-O 2.77Å; Q270-I273 WeakPolarHBondContact O-CA 3.18Å; Q270-I273 VanDerWaalsContact O-CB 3.28Å; Q270-I273 WeakPolarHBondContact O-CB 3.36Å; Q270-I273 PolarHBondContact O-N 3.23Å; Q270-V275 HydrophobicContact CB-CG2 3.82Å
271D82.2Confident84.8Confident158 Ų15853.5 Ų53.585%0.84533%0.328SS*.THydrogen-bonded Turntrans52.633.5-177.9-61.4-46.1000113.7
272G82.4Confident84.8Confident54 Ų5454.7 Ų54.756%0.55734%0.335SS*.THydrogen-bonded Turntrans8111.7-176.900000114.9Q270Q270-G272 PolarHBondContact O-N 3.12Å; Q270-G272 VanDerWaalsContact O-N 3.12Å
273I90.1Very high84.6Confident45 Ų4554 Ų5423%0.23132%0.318CS..EExtended strand (participates in β ladder)trans-108.1126.9176.4-53.9175.5000108.8Q194 Y214 L269 Q270 V275Q194-I273 HydrophobicContact CB-CG2 3.72Å; Y214-I273 HydrophobicContact CE1-CD1 4.34Å; L269-I273 CarbonylContact C-O 3.24Å; L269-I273 WeakPolarHBondContact CA-O 3.35Å; Q270-I273 PolarHBondContact N-O 2.77Å; Q270-I273 WeakPolarHBondContact O-CA 3.18Å; Q270-I273 VanDerWaalsContact O-CB 3.28Å; Q270-I273 WeakPolarHBondContact O-CB 3.36Å; Q270-I273 PolarHBondContact O-N 3.23Å; I273-V275 PolarHBondContact O-N 2.81Å
274L92.8Very high84Confident0 Ų054.6 Ų54.60%033%0.328CS..EExtended strand (participates in β ladder)trans-76.3115175.3178.966.1000109.2S192 L193 Q194 L257 V260 Q261 A268 L269 L276S192-L274 PolarHBondContact O-N 3.01Å; L193-L274 WeakPolarHBondContact CA-O 3.38Å; L193-L274 HydrophobicContact CD2-CB 3.89Å; L193-L274 HydrophobicContact CD2-CD2 3.69Å; L193-L274 HydrophobicContact CD2-CG 4.12Å; Q194-L274 PolarHBondContact N-O 3.08Å; L257-L274 HydrophobicContact CD2-CD2 4.01Å; V260-L274 HydrophobicContact CG1-CD1 4.34Å; V260-L274 HydrophobicContact CG1-CD2 4.23Å; Q261-L274 HydrophobicContact CG-CB 4.49Å; Q261-L274 HydrophobicContact CG-CD1 4.11Å; Q261-L274 HydrophobicContact CG-CD2 3.98Å; Q261-L274 HydrophobicContact CG-CG 4.43Å; A268-L274 HydrophobicContact CB-CD1 3.79Å; L269-L274 HydrophobicContact CD2-CB 4.5Å; L274-L276 HydrophobicContact CD1-CD2 4.39Å; L274-L276 HydrophobicContact CD2-CD2 4.08Å; L274-L276 HydrophobicContact CD2-CG 4.4Å; L274-L276 HydrophobicContact CG-CD2 3.93Å; L274-L276 HydrophobicContact CG-CG 4.21Å
275V93.6Very high83.2Confident17 Ų1762.5 Ų62.510%0.10336%0.364CS..EExtended strand (participates in β ladder)trans-90.5118-179-174.20000109.3Q194 E196 C246 A268 Q270 I273Q194-V275 HydrophobicContact CB-CG2 4.42Å; E196-V275 HydrophobicContact CG-CG1 4.13Å; C246-V275 PolarHBondContact SG-O 2.99Å; A268-V275 PolarHBondContact O-N 3.03Å; Q270-V275 HydrophobicContact CB-CG2 3.82Å; I273-V275 PolarHBondContact O-N 2.81Å
276L95.9Very high81.8Confident1 Ų172.9 Ų72.91%0.00541%0.407CS..EExtended strand (participates in β ladder)trans-116.7122.6178.1-58.3-178.2000109.5L193 Q194 L195 E196 V226 V244 C246 L251 L257 L274L193-L276 HydrophobicContact CD1-CD1 4.3Å; L193-L276 HydrophobicContact CD2-CD1 4.14Å; Q194-L276 PolarHBondContact O-N 3.23Å; L195-L276 CarbonylContact C-O 3.6Å; L195-L276 WeakPolarHBondContact CA-O 3.26Å; L195-L276 HydrophobicContact CD2-CB 4.03Å; L195-L276 HydrophobicContact CD2-CD1 4.27Å; E196-L276 PolarHBondContact N-O 3.29Å; V226-L276 HydrophobicContact CG1-CD1 4.35Å; V226-L276 HydrophobicContact CG2-CD1 4.48Å; V244-L276 HydrophobicContact CG1-CB 3.99Å; V244-L276 HydrophobicContact CG1-CD1 4.16Å; V244-L276 HydrophobicContact CG1-CG 4.46Å; C246-L276 HydrophobicContact CB-CD2 3.77Å; L251-L276 HydrophobicContact CD1-CD2 3.8Å; L257-L276 HydrophobicContact CD2-CD1 4.01Å; L274-L276 HydrophobicContact CD1-CD2 4.39Å; L274-L276 HydrophobicContact CD2-CD2 4.08Å; L274-L276 HydrophobicContact CD2-CG 4.4Å; L274-L276 HydrophobicContact CG-CD2 3.93Å; L274-L276 HydrophobicContact CG-CG 4.21Å
277H95.7Very high82.6Confident61 Ų6169.6 Ų69.628%0.28239%0.39SS..EExtended strand (participates in β ladder)trans-88.9139.5172.2-66.694.4000109E196 V198 V244 V245E196-H277 CarbonylContact O-C 3.58Å; E196-H277 WeakPolarHBondContact O-CA 3.26Å; E196-H277 IonicContact OE2-CD2 3.79Å; E196-H277 IonicContact OE2-NE2 3.3Å; E196-H277 PolarHBondContact OE2-NE2 3.38Å; V198-H277 HydrophobicContact CG2-CB 3.62Å; V244-H277 CarbonylContact C-O 3.59Å; V244-H277 WeakPolarHBondContact CA-O 3.39Å; V245-H277 HydrophobicContact CB-CB 4.43Å; V245-H277 PolarHBondContact N-O 2.94Å; V245-H277 PolarHBondContact O-N 2.99Å
278F96.4Very high83.2Confident2 Ų264.6 Ų64.61%0.00936%0.364CS..EExtended strand (participates in β ladder)trans-136.3146.3176.274-85.6000112.7L195 E196 F197 V198 L210 I230 M234 V242 D243 V244L195-F278 HydrophobicContact CB-CD1 4.22Å; L195-F278 HydrophobicContact CB-CE1 3.99Å; E196-F278 VanDerWaalsContact O-CD1 3.28Å; E196-F278 WeakPolarHBondContact O-CD1 3.49Å; E196-F278 PolarHBondContact O-N 3.05Å; F197-F278 HydrophobicContact CB-CE1 3.95Å; F197-F278 HydrophobicContact CB-CE2 4.2Å; F197-F278 HydrophobicContact CB-CZ 3.66Å; F197-F278 AromaticContact CD2-CD2 3.93Å; F197-F278 HydrophobicContact CD2-CD2 3.93Å; F197-F278 AromaticContact CD2-CE2 3.41Å; F197-F278 HydrophobicContact CD2-CE2 3.41Å; F197-F278 VanDerWaalsContact CD2-CE2 3.41Å; F197-F278 AromaticContact CD2-CZ 3.79Å; F197-F278 HydrophobicContact CD2-CZ 3.79Å; F197-F278 HydrophobicContact CE2-CE2 4.19Å; F197-F278 HydrophobicContact CG-CE2 4.19Å; F197-F278 HydrophobicContact CG-CZ 4.11Å; V198-F278 PolarHBondContact N-O 3.27Å; L210-F278 HydrophobicContact CD2-CE1 4.1Å; L210-F278 HydrophobicContact CD2-CZ 4.12Å; I230-F278 HydrophobicContact CD1-CB 4Å; I230-F278 HydrophobicContact CD1-CD1 3.93Å; I230-F278 HydrophobicContact CD1-CD2 3.98Å; I230-F278 HydrophobicContact CD1-CE1 4.4Å; I230-F278 HydrophobicContact CD1-CE2 4.44Å; I230-F278 HydrophobicContact CD1-CG 3.69Å; I230-F278 HydrophobicContact CG2-CD2 3.82Å; I230-F278 HydrophobicContact CG2-CE2 3.58Å; I230-F278 HydrophobicContact CG2-CZ 4.2Å; M234-F278 HydrophobicContact CE-CE2 4.37Å; M234-F278 HydrophobicContact SD-CE2 3.5Å; M234-F278 VanDerWaalsContact SD-CE2 3.5Å; M234-F278 HydrophobicContact SD-CZ 3.73Å; V242-F278 HydrophobicContact CG1-CB 4.16Å; V242-F278 HydrophobicContact CG1-CD2 4.19Å; D243-F278 CarbonylContact O-C 3.49Å; D243-F278 WeakPolarHBondContact O-CA 3.03Å; D243-F278 WeakPolarHBondContact O-CB 3.49Å; V244-F278 HydrophobicContact CG2-CB 4.4Å
279G94.8Very high83.9Confident18 Ų1867.7 Ų67.719%0.18638%0.38CS..EExtended strand (participates in β ladder)trans-127.1156.3176.800000111.6G199 V242 D243G199-G279 VanDerWaalsContact O-CA 3.28Å; G199-G279 WeakPolarHBondContact O-CA 3.5Å; V242-G279 WeakPolarHBondContact CA-O 3.5Å; D243-G279 PolarHBondContact N-O 3.43Å; D243-G279 PolarHBondContact O-N 2.93Å
280L95.6Very high84Confident2 Ų268.5 Ų68.51%0.0139%0.386CS..EExtended strand (participates in β ladder)trans-100.7127.2173-52.5-174.9000109.6F197 G199 A200 E201 I204 Y207 L236 Q241 V242F197-L280 HydrophobicContact CE2-CD1 4.4Å; F197-L280 HydrophobicContact CE2-CG 3.97Å; G199-L280 PolarHBondContact O-N 3.11Å; A200-L280 WeakPolarHBondContact CA-O 3.35Å; A200-L280 HydrophobicContact CB-CB 3.83Å; A200-L280 HydrophobicContact CB-CD1 4.11Å; A200-L280 HydrophobicContact CB-CG 4.21Å; E201-L280 PolarHBondContact N-O 3.15Å; I204-L280 HydrophobicContact CD1-CB 3.75Å; I204-L280 HydrophobicContact CG2-CB 4.27Å; I204-L280 HydrophobicContact CG2-CD1 3.89Å; Y207-L280 HydrophobicContact CD1-CD1 3.63Å; Y207-L280 HydrophobicContact CD2-CD1 4.24Å; Y207-L280 HydrophobicContact CE1-CD1 3.86Å; Y207-L280 HydrophobicContact CE2-CD1 4.44Å; Y207-L280 HydrophobicContact CG-CD1 3.82Å; L236-L280 HydrophobicContact CD1-CD1 4.42Å; L236-L280 HydrophobicContact CD1-CD2 3.47Å; L236-L280 VanDerWaalsContact CD1-CD2 3.47Å; L236-L280 HydrophobicContact CD2-CD1 3.77Å; L236-L280 HydrophobicContact CD2-CD2 4.32Å; Q241-L280 WeakPolarHBondContact O-CA 3.34Å; V242-L280 HydrophobicContact CG2-CD2 3.95Å
281V92.3Very high84.2Confident33 Ų3365.8 Ų65.820%0.238%0.378CS..EExtended strand (participates in β ladder)trans-128.7150.4-178.6-57.90000111.2E201 Q241E201-V281 WeakPolarHBondContact OE2-CA 3.42Å; Q241-V281 HydrophobicContact CB-CG2 3.71Å; Q241-V281 PolarHBondContact N-O 2.72Å; Q241-V281 PolarHBondContact O-N 2.81Å
282L87.4Confident84.3Confident68 Ų6859.7 Ų59.736%0.35635%0.346SS..PPolyproline II helixtrans-81.7150.1172.1-69.1176.2000109.4E201 I204 A284E201-L282 PolarHBondContact OE2-N 2.85Å; I204-L282 HydrophobicContact CD1-CD2 4.11Å; I204-L282 HydrophobicContact CD1-CG 4.11Å; I204-L282 HydrophobicContact CG1-CD2 3.78Å; I204-L282 HydrophobicContact CG1-CG 4.01Å; L282-A284 PolarHBondContact O-N 3Å
283P80.3Confident84.5Confident53 Ų5360.1 Ų60.134%0.34433%0.331SS..PPolyproline II helixtrans-66.7125175.720.4-14.1000107.9T239 H285T239-P283 WeakPolarHBondContact O-CD 3.39Å; T239-P283 WeakPolarHBondContact O-CG 3.4Å; P283-H285 PolarHBondContact O-N 3.13Å; P283-H285 VanDerWaalsContact O-N 3.12Å
284A69.2Low84Confident92 Ų9261.2 Ų61.276%0.7634%0.339SS*.PPolyproline II helixtrans-54.9121.617400000109.2L282 M286L282-A284 PolarHBondContact O-N 3Å; A284-M286 PolarHBondContact O-N 3.25Å
285H58.1Low83.3Confident197 Ų19766.3 Ų66.391%0.91237%0.367SS*.  trans-62.3107.3169.8-81.7-81000108P283P283-H285 PolarHBondContact O-N 3.13Å; P283-H285 VanDerWaalsContact O-N 3.12Å
286M40.4Very low82.4Confident252 Ų25270.8 Ų70.8100%1.24139%0.391SS*.  trans-83.70161.3-68.6-16682.200110.2A284A284-M286 PolarHBondContact O-N 3.25Å

Retrieved 286 of 286 residues in 581.5 ms (Link to these results)