A0A087XKQ4_POEFO Loading...

Bone morphogenetic protein 15

AlphaFold DB , UniProt , Accession A0A087XKQ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 437 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.8Very low36.3Very low244 Ų244164.1 Ų164.1100%1.20284%0.835SS**  0135.80-69.7177.5-167.900108.3
2R35.4Very low36.4Very low252 Ų252168.8 Ų168.895%0.95183%0.834SS**  trans19.3149.6165.4-78.8-177.6-1781741.1119.6
3A38Very low36.6Very low75 Ų75166.5 Ų166.562%0.6284%0.835SS**  cis-173.2151.2-7.700000102.7
4T41.5Very low36.6Very low147 Ų147162.7 Ų162.790%0.90283%0.83SS**  170154.897.438.70000107.9
5R35.8Very low36.6Very low243 Ų243160.7 Ų160.792%0.91783%0.828SS**  trans-110.6128-160-170.6-178.4-165.6172.74.4109.9
6A35.4Very low36.7Very low101 Ų101160.7 Ų160.784%0.83583%0.829SS**  trans-101.6147.5171.300000111
7K38.8Very low36.8Very low203 Ų203159.5 Ų159.588%0.88383%0.831SS**  trans-110.3115.4177.7-79.9-176175.8-179.50111
8H39.3Very low36.8Very low184 Ų184157.7 Ų157.785%0.85283%0.832SS**  trans-69.5164.8143.2-86.7-85.8000108.7
9G33.5Very low36.9Very low60 Ų60160.7 Ų160.762%0.61984%0.838SS**  cis173.7155.213.600000106.2
10F34.1Very low37.3Very low176 Ų176159.9 Ų159.977%0.77283%0.833SS**  102116.494.6-109.2-106.9000114.5
11L34.7Very low37Very low120 Ų120162.6 Ų162.663%0.62883%0.834SS**  95.4123.7127.1-124.977.3000123.3
12R37.4Very low37.2Very low221 Ų221158.6 Ų158.683%0.83482%0.817SS**  trans73.4132150-83.4168.9-172.4-171.90.6116.6
13V39.4Very low37.3Very low138 Ų138154 Ų15484%0.83681%0.81SS**  -157.813859.8164.10000111.5
14C36.4Very low37.1Very low114 Ų114156.2 Ų156.277%0.7782%0.82SS**  trans-62.9145.7167.2-58.70000112.8
15V37Very low36.7Very low133 Ų133154 Ų15481%0.80681%0.81SS**  trans163.4139.5142.6155.70000108.2
16L37.4Very low36.6Very low160 Ų160148 Ų14884%0.83880%0.801SS**  trans93.164.9172.8-65147.9000118.8
17T38.2Very low36.6Very low140 Ų140149.1 Ų149.186%0.85980%0.801SS**  trans-155.778.3147.649.10000110.7
18C38.1Very low36.4Very low127 Ų127146.3 Ų146.386%0.85880%0.801SS**  trans-172.367.3165.1-118.80000113.2
19F38.2Very low36Very low215 Ų215141.3 Ų141.394%0.94380%0.8SS**  trans-145.141.5171.5-111.7-75.2000113
20I43.7Very low35.9Very low145 Ų145144.9 Ų144.974%0.74481%0.809SS**SBendtrans-136.9128.6168.3-51.4-179.9000106.3
21Y31.8Very low35.9Very low217 Ų217144 Ų14485%0.85181%0.812SS**  trans94.8114.1179.1-64.6-81.6000117.1
22L36Very low35.8Very low159 Ų159145.3 Ų145.383%0.83283%0.825SS**  trans125.4113.7168.6-71.9167.2000108.7
23L39.3Very low35.4Very low155 Ų155138.3 Ų138.381%0.81282%0.822SS**  cis-162.3140.822.8-87.7136.7000109.7
24C32.3Very low34.9Very low123 Ų123144.1 Ų144.183%0.83183%0.828SS**  trans-65.6153.5152-76.40000110.7
25S33.1Very low34.5Very low99 Ų99148.1 Ų148.169%0.69283%0.833SS**  trans132.4116.1136.7-155.60000115.2
26T34.9Very low34.2Very low117 Ų117150.7 Ų150.772%0.71884%0.838SS**  trans54.8125.1134.960.20000120.9
27C34.5Very low33.7Very low125 Ų125148 Ų14885%0.84584%0.839SS**  177.9149.6102.7-92.80000113.6
28T34.6Very low33.5Very low144 Ų144147.4 Ų147.488%0.88384%0.84SS**  trans-69.3154.9177.646.20000114.8
29G32.1Very low33.1Very low80 Ų80144.3 Ų144.383%0.82583%0.83SS**  trans-174.8131.2164.800000113.8
30V30.8Very low32.8Very low134 Ų134143.5 Ų143.581%0.81283%0.829SS**  trans-103.1145.6-165163.50000113
31L35Very low32.2Very low158 Ų158144.8 Ų144.883%0.82784%0.837SS**  trans17.9132.8155.6-64.6161.1000122.2
32T32.6Very low32.3Very low148 Ų148138.5 Ų138.591%0.90883%0.83SS**  -163.3149.411545.50000111.2
33G28.1Very low32Very low74 Ų74136.9 Ų136.976%0.76383%0.829SS**  trans-91.3177.8-15900000118.3
34R29Very low31.7Very low259 Ų259141.2 Ų141.298%0.97783%0.834SS**  trans-170.3149.6134.1-104.1175176.3-174.1-1.3111.9
35K27.6Very low31.8Very low198 Ų198147.1 Ų147.186%0.86184%0.839SS**  trans-67.5146.9-169.2-89.5170.6167.2175.10115.5
36M30.8Very low31.7Very low188 Ų188147.1 Ų147.193%0.92684%0.839SS**  trans32.7125.2143.6-67.5-165.1172.600121
37A28Very low32Very low103 Ų103153.3 Ų153.385%0.85185%0.849SS**  trans-150.1133.1131.300000110.2
38S32.6Very low32Very low127 Ų127157.6 Ų157.689%0.88885%0.848SS**  trans-65.4134.6179.2179.50000111.7
39G29.8Very low32.2Very low62 Ų62155.5 Ų155.564%0.63984%0.839SS**  trans-150.7104.2170.900000109.6L41G39-L41 PolarHBondContact O-N 3.16Å; G39-L41 VanDerWaalsContact O-N 3.16Å
40Q32.8Very low32.5Very low199 Ų199160 Ų16093%0.9384%0.838SS**  trans-57.6112.8177.1-74.7177.8-25.400110.7
41L31.3Very low33Very low172 Ų172164.8 Ų164.890%0.90184%0.842SS**  trans-93.2125.5164.4-100122.6000109.4G39G39-L41 PolarHBondContact O-N 3.16Å; G39-L41 VanDerWaalsContact O-N 3.16Å
42A32.6Very low33.5Very low85 Ų85160 Ų16070%0.70283%0.831SS**  trans-48.8141.8176.400000112.6R44A42-R44 PolarHBondContact O-N 3.17Å
43P30.9Very low34Very low125 Ų125157 Ų15781%0.81282%0.821SS**  trans-69.2111.3176.427.7-30000108.8R45P43-R45 PolarHBondContact O-N 3.43Å
44R32.8Very low35.1Very low246 Ų246158.5 Ų158.593%0.92881%0.808SS**  trans-49.7106.1163.1-144.3175.8-175.7-176.90.8106.8A42 S46A42-R44 PolarHBondContact O-N 3.17Å; R44-S46 VanDerWaalsContact C-N 3.26Å; R44-S46 PolarHBondContact O-N 3.2Å
45R33.9Very low36.4Very low246 Ų246152.5 Ų152.593%0.92879%0.791SS**  trans-59.294.1172.1-98.8-178.7174.4173.5-1.8107.7P43 R47P43-R45 PolarHBondContact O-N 3.43Å; R45-R47 PolarHBondContact O-N 3.06Å
46S30.9Very low38.4Very low100 Ų100149.8 Ų149.870%0.69978%0.775SS**  trans-55.5110.7161.9174.60000106.5R44 R48R44-S46 VanDerWaalsContact C-N 3.26Å; R44-S46 PolarHBondContact O-N 3.2Å; S46-R48 PolarHBondContact O-N 2.64Å
47R42.1Very low40.6Very low247 Ų247145.6 Ų145.693%0.93276%0.762SS**  trans-6187.2159.6-93179.7169.6164.3-3.7106R45 S49R45-R47 PolarHBondContact O-N 3.06Å; R47-S49 PolarHBondContact O-N 3.23Å
48R34.6Very low43.2Very low214 Ų214142.3 Ų142.381%0.80873%0.73SS**  trans-62.895.1158.5-103.9-178.8174.5174.2-1.6105.8S46 H50S46-R48 PolarHBondContact O-N 2.64Å; R48-H50 VanDerWaalsContact C-N 3.28Å; R48-H50 PolarHBondContact O-N 3.01Å
49S38.7Very low45.7Very low100 Ų100138.8 Ų138.870%0.69970%0.703SS**  trans-55.6100.8154.91790000106.1R47 R51R47-S49 PolarHBondContact O-N 3.23Å; S49-R51 PolarHBondContact O-N 3.12Å
50H37.2Very low48.4Very low175 Ų175141.5 Ų141.581%0.8170%0.703SS**  trans-61.792.2166.2-86.5-85.1000107.2R48R48-H50 VanDerWaalsContact C-N 3.28Å; R48-H50 PolarHBondContact O-N 3.01Å
51R42.5Very low50.8Low234 Ų234139.9 Ų139.988%0.88370%0.695SS**  trans-64.9131.3166.6-88.7-176.2169.6-156.4-2.7107.8S49S49-R51 PolarHBondContact O-N 3.12Å
52G45.3Very low53.3Low59 Ų59134.4 Ų134.461%0.60867%0.665SS**  trans-62.6141.9-167.900000114.6
53A43.1Very low55.9Low84 Ų84135.4 Ų135.469%0.69465%0.653SS**  trans-130.526.1177.700000112.6
54H51.4Low58.5Low106 Ų106132 Ų13249%0.49164%0.636SS.*  trans-130.921178.3-61.3-51.8000114A345 N347 E348H54-A345 HydrophobicContact CB-CB 4.34Å; H54-N347 PolarHBondContact O-ND2 2.74Å; H54-E348 IonicContact CD2-OE1 3.16Å
55H56.3Low61.2Low132 Ų132122.4 Ų122.461%0.61160%0.603SS**  trans-87.4119177.4-59.8-51.2000110.9P57H55-P57 WeakPolarHBondContact O-CD 3.41Å
56R69.7Low63.8Low142 Ų142110.9 Ų110.954%0.53656%0.56SS.*  trans-87.5104.1161.5-174.5177.3180-177.10.5107.6R359R56-R359 PolarHBondContact O-NH2 3.34Å
57P77.1Confident66.7Low99 Ų99106.6 Ų106.664%0.64353%0.529SS*.PPolyproline II helixtrans-61.8155174.226-32.8000110.4H55H55-P57 WeakPolarHBondContact O-CD 3.41Å
58L82Confident69.1Low34 Ų3495.1 Ų95.118%0.17849%0.486CS..PPolyproline II helixtrans-59.1141.9170.2-66.9174.2000109.6Q62 K63 L68 L72 I356L58-Q62 HydrophobicContact CB-CB 4.04Å; L58-Q62 HydrophobicContact CD2-CB 4.19Å; L58-K63 HydrophobicContact CB-CG 4.1Å; L58-K63 VanDerWaalsContact O-CE 3.23Å; L58-K63 WeakPolarHBondContact O-CE 3.15Å; L58-L68 HydrophobicContact CD2-CD2 4.34Å; L58-L72 HydrophobicContact CD1-CD1 3.88Å; L58-I356 HydrophobicContact CD2-CG2 4.23Å
59T85.1Confident71.9Confident53 Ų5386.6 Ų86.633%0.32546%0.455SS..PPolyproline II helixtrans-66.3161.4171.466.10000110.2E61 Q62 K63T59-E61 VanDerWaalsContact C-N 3.26Å; T59-E61 PolarHBondContact O-N 3.39Å; T59-Q62 WeakPolarHBondContact O-CB 3.05Å; T59-Q62 PolarHBondContact O-N 3.28Å; T59-Q62 VanDerWaalsContact O-N 3.14Å; T59-Q62 WeakPolarHBondContact OG1-CB 3.41Å; T59-Q62 VanDerWaalsContact OG1-CG 3.29Å; T59-Q62 WeakPolarHBondContact OG1-CG 3.25Å; T59-Q62 PolarHBondContact OG1-N 3.49Å; T59-Q62 PolarHBondContact OG1-OE1 3.36Å; T59-K63 WeakPolarHBondContact O-CG 3.25Å; T59-K63 PolarHBondContact O-N 3.2Å
60D85.2Confident74.5Confident120 Ų12082 Ų8264%0.64242%0.423SS*.Hα-helixtrans-66.2-32.1179.2-62.3-35.9000112K63 A64D60-K63 PolarHBondContact O-N 3.34Å; D60-K63 IonicContact OD1-NZ 3.63Å; D60-K63 PolarHBondContact OD1-NZ 3.42Å; D60-A64 WeakPolarHBondContact O-CB 3.39Å; D60-A64 PolarHBondContact O-N 3.34Å
61E84.3Confident77.3Confident164 Ų16473.6 Ų73.677%0.76638%0.384SS*.Hα-helixtrans-58-47.3168.6-64.4174174.800111.9T59 K63 A64 D65T59-E61 VanDerWaalsContact C-N 3.26Å; T59-E61 PolarHBondContact O-N 3.39Å; E61-K63 VanDerWaalsContact C-N 3.3Å; E61-K63 PolarHBondContact O-N 2.95Å; E61-A64 PolarHBondContact O-N 3.2Å; E61-D65 WeakPolarHBondContact O-CB 3.42Å; E61-D65 PolarHBondContact O-N 3.37Å
62Q84.6Confident79.8Confident57 Ų5763 Ų6327%0.26634%0.344SS..Hα-helixtrans-65.1-33.6176.8-76177-36.700112.3L58 T59 A64 L68 Q69L58-Q62 HydrophobicContact CB-CB 4.04Å; L58-Q62 HydrophobicContact CD2-CB 4.19Å; T59-Q62 WeakPolarHBondContact O-CB 3.05Å; T59-Q62 PolarHBondContact O-N 3.28Å; T59-Q62 VanDerWaalsContact O-N 3.14Å; T59-Q62 WeakPolarHBondContact OG1-CB 3.41Å; T59-Q62 VanDerWaalsContact OG1-CG 3.29Å; T59-Q62 WeakPolarHBondContact OG1-CG 3.25Å; T59-Q62 PolarHBondContact OG1-N 3.49Å; T59-Q62 PolarHBondContact OG1-OE1 3.36Å; Q62-A64 VanDerWaalsContact C-N 3.33Å; Q62-L68 HydrophobicContact CB-CD2 3.65Å; Q62-L68 HydrophobicContact CG-CD2 3.97Å; Q62-L68 WeakPolarHBondContact O-CD2 3.42Å; Q62-Q69 PolarHBondContact O-NE2 2.97Å
63K86.1Confident82.2Confident106 Ų10662.5 Ų62.546%0.46133%0.332SS..Hα-helixtrans-69.6-33.6174.8-68174.2-160.71530111.9L58 T59 D60 E61 Q69L58-K63 HydrophobicContact CB-CG 4.1Å; L58-K63 VanDerWaalsContact O-CE 3.23Å; L58-K63 WeakPolarHBondContact O-CE 3.15Å; T59-K63 WeakPolarHBondContact O-CG 3.25Å; T59-K63 PolarHBondContact O-N 3.2Å; D60-K63 PolarHBondContact O-N 3.34Å; D60-K63 IonicContact OD1-NZ 3.63Å; D60-K63 PolarHBondContact OD1-NZ 3.42Å; E61-K63 VanDerWaalsContact C-N 3.3Å; E61-K63 PolarHBondContact O-N 2.95Å; K63-Q69 PolarHBondContact O-NE2 2.76Å
64A85.6Confident84.7Confident53 Ų5359.2 Ų59.244%0.43830%0.303SS..Hα-helixtrans-77.7-29.8179.600000113.4D60 E61 Q62 Q66D60-A64 WeakPolarHBondContact O-CB 3.39Å; D60-A64 PolarHBondContact O-N 3.34Å; E61-A64 PolarHBondContact O-N 3.2Å; Q62-A64 VanDerWaalsContact C-N 3.33Å; A64-Q66 PolarHBondContact O-N 3.05Å; A64-Q66 VanDerWaalsContact O-N 3.16Å; A64-Q66 PolarHBondContact O-NE2 3.31Å
65D88.8Confident86.9Confident45 Ų4554.6 Ų54.624%0.24128%0.281CS..  trans-61.4106.8-178.6-177.7-8.8000113.1E61 N67 L68 Q69 R100E61-D65 WeakPolarHBondContact O-CB 3.42Å; E61-D65 PolarHBondContact O-N 3.37Å; D65-N67 VanDerWaalsContact C-N 3.31Å; D65-N67 PolarHBondContact O-N 3.37Å; D65-N67 WeakPolarHBondContact OD1-CB 3.46Å; D65-N67 PolarHBondContact OD1-N 3.23Å; D65-N67 VanDerWaalsContact OD1-N 3.15Å; D65-L68 HydrophobicContact CB-CB 4.02Å; D65-L68 PolarHBondContact O-N 3.08Å; D65-L68 VanDerWaalsContact O-N 3.15Å; D65-L68 PolarHBondContact OD1-N 2.72Å; D65-Q69 WeakPolarHBondContact O-CG 3.45Å; D65-Q69 PolarHBondContact O-N 3.12Å; D65-R100 IonicContact OD1-NH2 3.08Å; D65-R100 PolarHBondContact OD1-NH2 3.3Å; D65-R100 IonicContact OD2-CZ 2.87Å; D65-R100 IonicContact OD2-NH2 3.93Å; D65-R100 PolarHBondContact OD2-NH2 3.31Å
66Q89.8Confident88.8Confident4 Ų455.8 Ų55.82%0.01928%0.28CS..Hα-helixtrans-64.5-33.5-177.1-66.7-60.1-62.200113.2A64 L68 Q69 F70 L141 R142 S144 E243A64-Q66 PolarHBondContact O-N 3.05Å; A64-Q66 VanDerWaalsContact O-N 3.16Å; A64-Q66 PolarHBondContact O-NE2 3.31Å; Q66-L68 VanDerWaalsContact C-N 3.31Å; Q66-L68 PolarHBondContact O-N 3.49Å; Q66-Q69 PolarHBondContact O-N 3.12Å; Q66-F70 WeakPolarHBondContact O-CB 3.31Å; Q66-F70 PolarHBondContact O-N 2.88Å; Q66-L141 HydrophobicContact CB-CD2 4.08Å; Q66-R142 WeakPolarHBondContact CG-O 3.47Å; Q66-S144 PolarHBondContact NE2-OG 3.07Å; Q66-E243 WeakPolarHBondContact CB-OE2 3.23Å; Q66-E243 WeakPolarHBondContact CG-OE1 3.33Å
67N91.7Very high90.1Very high11 Ų1151.1 Ų51.16%0.05927%0.269CS..Hα-helixtrans-62.8-41.6175.4-73.3-61.9000111.1D65 F70 M71 L98 L141 S246D65-N67 VanDerWaalsContact C-N 3.31Å; D65-N67 PolarHBondContact O-N 3.37Å; D65-N67 WeakPolarHBondContact OD1-CB 3.46Å; D65-N67 PolarHBondContact OD1-N 3.23Å; D65-N67 VanDerWaalsContact OD1-N 3.15Å; N67-F70 PolarHBondContact O-N 3.17Å; N67-M71 WeakPolarHBondContact O-CG 3.14Å; N67-M71 PolarHBondContact O-N 3.1Å; N67-L98 HydrophobicContact CB-CD1 3.95Å; N67-L98 HydrophobicContact CB-CD2 3.96Å; N67-L141 WeakPolarHBondContact OD1-CD1 3.41Å; N67-S246 VanDerWaalsContact OD1-CB 3.28Å; N67-S246 WeakPolarHBondContact OD1-CB 3.39Å; N67-S246 PolarHBondContact OD1-OG 3Å
68L92Very high91Very high5 Ų546.4 Ų46.43%0.02624%0.239CC..Hα-helixtrans-68.2-39.8176-176.159.1000111.6L58 Q62 D65 Q66 F70 M71 L72 I356 V421L58-L68 HydrophobicContact CD2-CD2 4.34Å; Q62-L68 HydrophobicContact CB-CD2 3.65Å; Q62-L68 HydrophobicContact CG-CD2 3.97Å; Q62-L68 WeakPolarHBondContact O-CD2 3.42Å; D65-L68 HydrophobicContact CB-CB 4.02Å; D65-L68 PolarHBondContact O-N 3.08Å; D65-L68 VanDerWaalsContact O-N 3.15Å; D65-L68 PolarHBondContact OD1-N 2.72Å; Q66-L68 VanDerWaalsContact C-N 3.31Å; Q66-L68 PolarHBondContact O-N 3.49Å; L68-F70 VanDerWaalsContact C-N 3.34Å; L68-M71 PolarHBondContact O-N 3.06Å; L68-L72 HydrophobicContact CD1-CG 4.45Å; L68-L72 HydrophobicContact CG-CD1 4.08Å; L68-L72 HydrophobicContact CG-CG 4.5Å; L68-L72 WeakPolarHBondContact O-CB 3.31Å; L68-L72 VanDerWaalsContact O-CG 3.32Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 3.04Å; L68-I356 HydrophobicContact CD1-CD1 3.67Å; L68-I356 HydrophobicContact CD1-CG2 4.46Å; L68-V421 HydrophobicContact CD1-CG1 4.19Å; L68-V421 HydrophobicContact CD1-CG2 4.41Å
69Q93.1Very high91.7Very high35 Ų3545 Ų4516%0.16423%0.232CC..Hα-helixtrans-63.3-40.3175.4-65.4-50.3-50.600112.2Q62 K63 D65 Q66 L72 S73 W180Q62-Q69 PolarHBondContact O-NE2 2.97Å; K63-Q69 PolarHBondContact O-NE2 2.76Å; D65-Q69 WeakPolarHBondContact O-CG 3.45Å; D65-Q69 PolarHBondContact O-N 3.12Å; Q66-Q69 PolarHBondContact O-N 3.12Å; Q69-L72 PolarHBondContact O-N 3.11Å; Q69-S73 WeakPolarHBondContact O-CB 3.22Å; Q69-S73 PolarHBondContact O-N 2.79Å; Q69-W180 HydrophobicContact CB-CZ3 4.45Å
70F94.7Very high92.2Very high3 Ų346.5 Ų46.51%0.01324%0.235CC..Hα-helixtrans-60.4-50.2173.4174.3-103.4000111.2Q66 N67 L68 L72 S73 L74 L98 V139 W180 E182 L248Q66-F70 WeakPolarHBondContact O-CB 3.31Å; Q66-F70 PolarHBondContact O-N 2.88Å; N67-F70 PolarHBondContact O-N 3.17Å; L68-F70 VanDerWaalsContact C-N 3.34Å; F70-L72 VanDerWaalsContact C-N 3.33Å; F70-L72 PolarHBondContact O-N 2.95Å; F70-S73 WeakPolarHBondContact O-CA 3.44Å; F70-S73 VanDerWaalsContact O-CB 3.25Å; F70-S73 WeakPolarHBondContact O-CB 3.44Å; F70-S73 PolarHBondContact O-N 3.22Å; F70-L74 HydrophobicContact CD1-CD1 3.93Å; F70-L74 HydrophobicContact CE1-CD1 3.33Å; F70-L74 HydrophobicContact CE1-CG 4.16Å; F70-L74 HydrophobicContact CE2-CD1 4.48Å; F70-L74 HydrophobicContact CZ-CD1 3.66Å; F70-L74 HydrophobicContact CZ-CD2 4.47Å; F70-L74 HydrophobicContact CZ-CG 4.1Å; F70-L74 PolarHBondContact O-N 3.18Å; F70-L98 HydrophobicContact CD1-CD1 3.99Å; F70-V139 HydrophobicContact CD1-CG1 4.38Å; F70-V139 HydrophobicContact CD2-CG1 4.33Å; F70-V139 HydrophobicContact CE1-CG1 4.21Å; F70-V139 HydrophobicContact CE1-CG2 4.03Å; F70-V139 HydrophobicContact CE2-CG1 4.17Å; F70-V139 HydrophobicContact CG-CG1 4.43Å; F70-V139 HydrophobicContact CZ-CG1 4.11Å; F70-V139 HydrophobicContact CZ-CG2 4.13Å; F70-W180 HydrophobicContact CB-CD2 4.38Å; F70-W180 HydrophobicContact CB-CE3 4.34Å; F70-W180 HydrophobicContact CD2-CB 4.32Å; F70-W180 AromaticContact CD2-CD1 3.48Å; F70-W180 VanDerWaalsContact CD2-CD1 3.48Å; F70-W180 AromaticContact CD2-CD2 3.75Å; F70-W180 HydrophobicContact CD2-CD2 3.75Å; F70-W180 AromaticContact CD2-CE2 3.78Å; F70-W180 AromaticContact CD2-CG 3.6Å; F70-W180 HydrophobicContact CD2-CG 3.6Å; F70-W180 AromaticContact CD2-NE1 3.58Å; F70-W180 AromaticContact CE2-CD1 3.64Å; F70-W180 HydrophobicContact CE2-CG 4.13Å; F70-W180 AromaticContact CE2-NE1 3.9Å; F70-E182 HydrophobicContact CZ-CG 4.31Å; F70-E182 WeakPolarHBondContact CZ-OE1 3.46Å; F70-L248 HydrophobicContact CE1-CD1 3.99Å; F70-L248 HydrophobicContact CE1-CD2 3.76Å; F70-L248 HydrophobicContact CE1-CG 4.43Å; F70-L248 HydrophobicContact CZ-CD2 3.88Å
71M95.9Very high92.5Very high0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-63.9-35.3177.6-71.6-60.7-70.700113.2N67 L68 S73 L74 Y75 L98 L248 L414 V421N67-M71 WeakPolarHBondContact O-CG 3.14Å; N67-M71 PolarHBondContact O-N 3.1Å; L68-M71 PolarHBondContact O-N 3.06Å; M71-S73 VanDerWaalsContact C-N 3.35Å; M71-L74 PolarHBondContact O-N 2.93Å; M71-L74 HydrophobicContact SD-CD1 3.72Å; M71-Y75 WeakPolarHBondContact O-CB 3.07Å; M71-Y75 PolarHBondContact O-N 3.07Å; M71-L98 HydrophobicContact CE-CB 4.42Å; M71-L98 HydrophobicContact CG-CB 3.96Å; M71-L98 HydrophobicContact CG-CD1 3.67Å; M71-L98 HydrophobicContact CG-CG 4.45Å; M71-L98 HydrophobicContact SD-CB 3.77Å; M71-L98 HydrophobicContact SD-CD1 4.02Å; M71-L248 HydrophobicContact SD-CD1 3.78Å; M71-L414 HydrophobicContact CB-CD1 4.02Å; M71-L414 HydrophobicContact CB-CD2 4.49Å; M71-L414 HydrophobicContact CE-CD1 3.99Å; M71-V421 HydrophobicContact CB-CG1 3.95Å; M71-V421 HydrophobicContact CE-CG1 4.4Å; M71-V421 HydrophobicContact CG-CB 4.49Å; M71-V421 HydrophobicContact CG-CG1 4Å
72L95.2Very high92.8Very high10 Ų1041.8 Ų41.85%0.05222%0.221CC..Hα-helixtrans-65.6-37.6171.5-79.3166000112L58 L68 Q69 F70 Y75 R76 I356 L414L58-L72 HydrophobicContact CD1-CD1 3.88Å; L68-L72 HydrophobicContact CD1-CG 4.45Å; L68-L72 HydrophobicContact CG-CD1 4.08Å; L68-L72 HydrophobicContact CG-CG 4.5Å; L68-L72 WeakPolarHBondContact O-CB 3.31Å; L68-L72 VanDerWaalsContact O-CG 3.32Å; L68-L72 WeakPolarHBondContact O-CG 3.41Å; L68-L72 PolarHBondContact O-N 3.04Å; Q69-L72 PolarHBondContact O-N 3.11Å; F70-L72 VanDerWaalsContact C-N 3.33Å; F70-L72 PolarHBondContact O-N 2.95Å; L72-Y75 PolarHBondContact O-N 3.42Å; L72-R76 WeakPolarHBondContact O-CB 3.45Å; L72-R76 VanDerWaalsContact O-CG 3.23Å; L72-R76 WeakPolarHBondContact O-CG 3.44Å; L72-R76 PolarHBondContact O-N 2.94Å; L72-I356 HydrophobicContact CD2-CG2 3.91Å; L72-L414 HydrophobicContact CD2-CD2 3.67Å; L72-L414 HydrophobicContact CG-CD2 3.93Å
73S95.3Very high93.3Very high49 Ų4939.1 Ų39.134%0.34321%0.208SC..Hα-helixtrans-62.8-47.4173.7-172.60000110.9Q69 F70 M71 Y75 R76 S77Q69-S73 WeakPolarHBondContact O-CB 3.22Å; Q69-S73 PolarHBondContact O-N 2.79Å; F70-S73 WeakPolarHBondContact O-CA 3.44Å; F70-S73 VanDerWaalsContact O-CB 3.25Å; F70-S73 WeakPolarHBondContact O-CB 3.44Å; F70-S73 PolarHBondContact O-N 3.22Å; M71-S73 VanDerWaalsContact C-N 3.35Å; S73-Y75 PolarHBondContact O-N 3.35Å; S73-R76 PolarHBondContact O-N 2.94Å; S73-S77 WeakPolarHBondContact O-CB 3.38Å; S73-S77 PolarHBondContact O-N 3.11Å
74L95.8Very high93.7Very high16 Ų1640.4 Ų40.48%0.08421%0.211CC..Hα-helixtrans-55.5-51173.9-77.8171.6000111.3F70 M71 R76 S77 A78 F91 L248F70-L74 HydrophobicContact CD1-CD1 3.93Å; F70-L74 HydrophobicContact CE1-CD1 3.33Å; F70-L74 HydrophobicContact CE1-CG 4.16Å; F70-L74 HydrophobicContact CE2-CD1 4.48Å; F70-L74 HydrophobicContact CZ-CD1 3.66Å; F70-L74 HydrophobicContact CZ-CD2 4.47Å; F70-L74 HydrophobicContact CZ-CG 4.1Å; F70-L74 PolarHBondContact O-N 3.18Å; M71-L74 PolarHBondContact O-N 2.93Å; M71-L74 HydrophobicContact SD-CD1 3.72Å; L74-R76 PolarHBondContact O-N 2.95Å; L74-S77 WeakPolarHBondContact O-CB 3.21Å; L74-S77 PolarHBondContact O-N 3.41Å; L74-S77 VanDerWaalsContact O-N 3.15Å; L74-S77 PolarHBondContact O-OG 3.08Å; L74-A78 PolarHBondContact O-N 3.35Å; L74-F91 HydrophobicContact CB-CZ 4.36Å; L74-F91 HydrophobicContact CD2-CE1 3.99Å; L74-F91 HydrophobicContact CD2-CZ 4.03Å; L74-L248 HydrophobicContact CD1-CD1 4.23Å; L74-L248 HydrophobicContact CD1-CD2 3.99Å
75Y97.1Very high94.2Very high9 Ų939 Ų394%0.03520%0.197CC..Hα-helixtrans-56.2-51177.2177-89.9000112.3M71 L72 S73 S77 A78 A79 E80 G83 A357 P358 S412 L414 Y423M71-Y75 WeakPolarHBondContact O-CB 3.07Å; M71-Y75 PolarHBondContact O-N 3.07Å; L72-Y75 PolarHBondContact O-N 3.42Å; S73-Y75 PolarHBondContact O-N 3.35Å; Y75-S77 PolarHBondContact O-N 3.16Å; Y75-A78 PolarHBondContact O-N 3.47Å; Y75-A79 HydrophobicContact CD2-CB 4.39Å; Y75-A79 HydrophobicContact CE1-CB 4.2Å; Y75-A79 HydrophobicContact CE2-CB 3.97Å; Y75-A79 PolarHBondContact O-N 3.28Å; Y75-E80 PolarHBondContact OH-O 3.47Å; Y75-G83 VanDerWaalsContact OH-CA 3.3Å; Y75-G83 WeakPolarHBondContact OH-CA 3.46Å; Y75-A357 HydrophobicContact CD1-CB 3.93Å; Y75-A357 HydrophobicContact CD2-CB 4.42Å; Y75-A357 HydrophobicContact CE1-CB 3.53Å; Y75-A357 HydrophobicContact CE2-CB 4.06Å; Y75-A357 HydrophobicContact CG-CB 4.37Å; Y75-P358 VanDerWaalsContact OH-CD 3.31Å; Y75-P358 WeakPolarHBondContact OH-CD 3.46Å; Y75-S412 WeakPolarHBondContact CE2-O 3.42Å; Y75-S412 PolarHBondContact OH-O 2.91Å; Y75-L414 HydrophobicContact CD2-CB 3.79Å; Y75-L414 HydrophobicContact CE2-CB 4.36Å; Y75-L414 HydrophobicContact CG-CB 4.2Å; Y75-Y423 AromaticContact CD2-CD2 3.92Å; Y75-Y423 HydrophobicContact CD2-CD2 3.92Å; Y75-Y423 HydrophobicContact CD2-CE2 4.11Å
76R96.2Very high94.5Very high156 Ų15642.2 Ų42.259%0.58921%0.209SC*.Hα-helixtrans-61.7-28.8179.6-73.1169.6-175.6161.54.2112.8L72 S73 L74 A78 K86L72-R76 WeakPolarHBondContact O-CB 3.45Å; L72-R76 VanDerWaalsContact O-CG 3.23Å; L72-R76 WeakPolarHBondContact O-CG 3.44Å; L72-R76 PolarHBondContact O-N 2.94Å; S73-R76 PolarHBondContact O-N 2.94Å; L74-R76 PolarHBondContact O-N 2.95Å; R76-A78 VanDerWaalsContact C-N 3.32Å; R76-K86 PolarHBondContact O-NZ 2.97Å
77S96.1Very high94.7Very high45 Ų4547.9 Ų47.932%0.31524%0.235SC..Hα-helixtrans-72-28.3175.591.40000112S73 L74 Y75 K90S73-S77 WeakPolarHBondContact O-CB 3.38Å; S73-S77 PolarHBondContact O-N 3.11Å; L74-S77 WeakPolarHBondContact O-CB 3.21Å; L74-S77 PolarHBondContact O-N 3.41Å; L74-S77 VanDerWaalsContact O-N 3.15Å; L74-S77 PolarHBondContact O-OG 3.08Å; Y75-S77 PolarHBondContact O-N 3.16Å; S77-K90 PolarHBondContact O-NZ 3.39Å; S77-K90 PolarHBondContact OG-NZ 3.17Å
78A96.8Very high94.6Very high0 Ų053 Ų530%026%0.258CS..Hα-helixtrans-102.5-26.5-17300000114.2L74 Y75 R76 K86 K90 F91 Y423L74-A78 PolarHBondContact O-N 3.35Å; Y75-A78 PolarHBondContact O-N 3.47Å; R76-A78 VanDerWaalsContact C-N 3.32Å; A78-K86 WeakPolarHBondContact O-CB 3.39Å; A78-K86 PolarHBondContact O-N 3.45Å; A78-K90 HydrophobicContact CB-CB 4.41Å; A78-K90 HydrophobicContact CB-CD 3.87Å; A78-F91 HydrophobicContact CB-CE2 3.73Å; A78-F91 HydrophobicContact CB-CZ 3.77Å; A78-Y423 HydrophobicContact CB-CE2 3.91Å
79A97.1Very high94.4Very high3 Ų355.6 Ų55.63%0.02527%0.268CS..BIsolated β-bridgetrans-135.8156.2-17000000113.4Y75 R84 K86 S412Y75-A79 HydrophobicContact CD2-CB 4.39Å; Y75-A79 HydrophobicContact CE1-CB 4.2Å; Y75-A79 HydrophobicContact CE2-CB 3.97Å; Y75-A79 PolarHBondContact O-N 3.28Å; A79-R84 WeakPolarHBondContact CA-O 3.44Å; A79-K86 VanDerWaalsContact O-CE 3.32Å; A79-K86 WeakPolarHBondContact O-CE 3.32Å; A79-S412 VanDerWaalsContact CB-CB 3.44Å
80E95Very high94.4Very high85 Ų8557.7 Ų57.740%0.39728%0.277SS..  trans-75.5162.9166.9-67.6-57.5148.500111.5Y75 D82 G83 R84 K86Y75-E80 PolarHBondContact OH-O 3.47Å; E80-D82 VanDerWaalsContact CB-OD1 3.27Å; E80-D82 WeakPolarHBondContact CB-OD1 3.01Å; E80-D82 PolarHBondContact O-N 3.17Å; E80-D82 VanDerWaalsContact O-N 3.12Å; E80-G83 PolarHBondContact O-N 2.88Å; E80-R84 HydrophobicContact CB-CB 4.31Å; E80-R84 PolarHBondContact N-O 2.97Å; E80-K86 HydrophobicContact CG-CG 4.29Å; E80-K86 WeakPolarHBondContact OE1-CE 3.47Å; E80-K86 WeakPolarHBondContact OE1-CG 3.31Å
81P92.1Very high94.4Very high108 Ų10859.4 Ų59.470%0.70128%0.284SS*.THydrogen-bonded Turntrans-60.4-21.1-179.5-25.335.2000115.5G83 P358P81-G83 VanDerWaalsContact C-N 3.33Å; P81-P358 VanDerWaalsContact O-CB 3.25Å; P81-P358 WeakPolarHBondContact O-CB 3.35Å
82D90.4Very high94.2Very high78 Ų7861.7 Ų61.742%0.41731%0.307SS..THydrogen-bonded Turntrans-89.31.9175.568.7-11.7000113.1E80 R84 P358 Y361E80-D82 VanDerWaalsContact CB-OD1 3.27Å; E80-D82 WeakPolarHBondContact CB-OD1 3.01Å; E80-D82 PolarHBondContact O-N 3.17Å; E80-D82 VanDerWaalsContact O-N 3.12Å; D82-R84 WeakPolarHBondContact OD1-CB 3.31Å; D82-R84 PolarHBondContact OD1-N 2.76Å; D82-P358 VanDerWaalsContact C-CB 3.47Å; D82-Y361 WeakPolarHBondContact O-CB 3.34Å
83G94.3Very high94.1Very high0 Ų061.2 Ų61.20%031%0.305CS..SBendtrans88.11.4-179.900000114.9Y75 E80 P81 P85 M411 S412Y75-G83 VanDerWaalsContact OH-CA 3.3Å; Y75-G83 WeakPolarHBondContact OH-CA 3.46Å; E80-G83 PolarHBondContact O-N 2.88Å; P81-G83 VanDerWaalsContact C-N 3.33Å; G83-P85 WeakPolarHBondContact O-CD 2.96Å; G83-M411 CarbonylContact O-C 3.59Å; G83-M411 WeakPolarHBondContact O-CA 3.02Å; G83-M411 WeakPolarHBondContact O-CG 3.49Å; G83-S412 WeakPolarHBondContact CA-O 3.47Å; G83-S412 PolarHBondContact O-N 2.9Å
84R94.3Very high93.9Very high134 Ų13459.8 Ų59.851%0.50629%0.294SS..  trans-67.2125.9176.4-165.5176-172.6-172.70.4110.3A79 E80 D82 K86 M409A79-R84 WeakPolarHBondContact CA-O 3.44Å; E80-R84 HydrophobicContact CB-CB 4.31Å; E80-R84 PolarHBondContact N-O 2.97Å; D82-R84 WeakPolarHBondContact OD1-CB 3.31Å; D82-R84 PolarHBondContact OD1-N 2.76Å; R84-K86 PolarHBondContact O-N 3.42Å; R84-M409 PolarHBondContact NH2-SD 3.46Å
85P95.8Very high93.8Very high23 Ų2359.1 Ų59.115%0.14929%0.29CS..BIsolated β-bridgetrans-63133.6176.6-20.632.2000110.8G83 P410 S412 E425G83-P85 WeakPolarHBondContact O-CD 2.96Å; P85-P410 VanDerWaalsContact CD-O 3.28Å; P85-P410 WeakPolarHBondContact CD-O 2.93Å; P85-P410 HydrophobicContact CG-CB 4.36Å; P85-P410 HydrophobicContact CG-CG 4.14Å; P85-S412 WeakPolarHBondContact CG-OG 3.03Å; P85-E425 HydrophobicContact CG-CG 4.34Å
86K95.7Very high93.7Very high113 Ų11358.8 Ų58.849%0.49129%0.289SS..SBendtrans-73.1-33.8174.7-70.2174.6173.7170.60111.7R76 A78 A79 E80 R84R76-K86 PolarHBondContact O-NZ 2.97Å; A78-K86 WeakPolarHBondContact O-CB 3.39Å; A78-K86 PolarHBondContact O-N 3.45Å; A79-K86 VanDerWaalsContact O-CE 3.32Å; A79-K86 WeakPolarHBondContact O-CE 3.32Å; E80-K86 HydrophobicContact CG-CG 4.29Å; E80-K86 WeakPolarHBondContact OE1-CE 3.47Å; E80-K86 WeakPolarHBondContact OE1-CG 3.31Å; R84-K86 PolarHBondContact O-N 3.42Å
87Q93.9Very high93.5Very high123 Ų12351.9 Ų51.958%0.57526%0.263SS*.SBendtrans-144.7131.9175.5-178.3178.47.400107.7R89 K90Q87-R89 PolarHBondContact O-N 3.18Å; Q87-K90 HydrophobicContact CB-CB 4.46Å
88H89.3Confident93.4Very high118 Ų11849.9 Ų49.955%0.54625%0.249SC..THydrogen-bonded Turntrans-60.5130.4175.5-178.560000110K90 E425 E427H88-K90 VanDerWaalsContact C-N 3.3Å; H88-K90 PolarHBondContact O-N 2.84Å; H88-E425 IonicContact CE1-OE1 2.95Å; H88-E425 IonicContact CG-OE1 3.61Å; H88-E425 IonicContact ND1-OE1 3.5Å; H88-E425 PolarHBondContact ND1-OE1 3.42Å; H88-E427 IonicContact CE1-OE1 3.62Å
89R88.9Confident93.2Very high59 Ų5950.2 Ų50.222%0.22325%0.251CS..THydrogen-bonded Turntrans49.647.2178.3-56-60.3-173.7115.7-0.6113.1Q87 F91 G92 E252 E425 E427Q87-R89 PolarHBondContact O-N 3.18Å; R89-F91 PolarHBondContact O-N 3.48Å; R89-G92 PolarHBondContact O-N 3.46Å; R89-E252 IonicContact CZ-OE1 3.7Å; R89-E252 IonicContact NH1-OE1 2.94Å; R89-E252 PolarHBondContact NH1-OE1 3.19Å; R89-E252 IonicContact NH1-OE2 3.9Å; R89-E252 PolarHBondContact NH1-OE2 3.5Å; R89-E252 IonicContact NH2-OE1 3.47Å; R89-E425 PolarHBondContact N-OE2 2.82Å; R89-E427 IonicContact NH2-OE1 3.58Å
90K92.6Very high92.9Very high80 Ų8054.5 Ų54.535%0.34827%0.266SS..THydrogen-bonded Turntrans-47.3-38.8-178.2180179.2178.2-175.40113.6S77 A78 Q87 H88S77-K90 PolarHBondContact O-NZ 3.39Å; S77-K90 PolarHBondContact OG-NZ 3.17Å; A78-K90 HydrophobicContact CB-CB 4.41Å; A78-K90 HydrophobicContact CB-CD 3.87Å; Q87-K90 HydrophobicContact CB-CB 4.46Å; H88-K90 VanDerWaalsContact C-N 3.3Å; H88-K90 PolarHBondContact O-N 2.84Å
91F93.8Very high92.9Very high38 Ų3851.9 Ų51.917%0.16726%0.256CS..THydrogen-bonded Turntrans-92.85.4-176.3-53.1-60.1000114L74 A78 R89 S93 V96 Y250 Y423L74-F91 HydrophobicContact CB-CZ 4.36Å; L74-F91 HydrophobicContact CD2-CE1 3.99Å; L74-F91 HydrophobicContact CD2-CZ 4.03Å; A78-F91 HydrophobicContact CB-CE2 3.73Å; A78-F91 HydrophobicContact CB-CZ 3.77Å; R89-F91 PolarHBondContact O-N 3.48Å; F91-S93 PolarHBondContact O-N 2.61Å; F91-V96 HydrophobicContact CB-CG2 4.27Å; F91-V96 HydrophobicContact CD2-CG2 3.62Å; F91-V96 HydrophobicContact CE2-CG2 4.22Å; F91-V96 HydrophobicContact CG-CG2 4.12Å; F91-Y250 HydrophobicContact CB-CD1 3.65Å; F91-Y250 HydrophobicContact CB-CE1 3.74Å; F91-Y250 HydrophobicContact CD1-CE1 4.06Å; F91-Y250 HydrophobicContact CG-CD1 4.28Å; F91-Y250 AromaticContact CG-CE1 3.93Å; F91-Y250 HydrophobicContact CG-CE1 3.93Å; F91-Y423 HydrophobicContact CD2-CD1 4.26Å; F91-Y423 AromaticContact CD2-CE1 4Å; F91-Y423 HydrophobicContact CD2-CE1 4Å; F91-Y423 HydrophobicContact CE2-CD1 4.13Å; F91-Y423 AromaticContact CE2-CE1 3.95Å; F91-Y423 HydrophobicContact CE2-CE1 3.95Å; F91-Y423 HydrophobicContact CE2-CE2 4.38Å; F91-Y423 HydrophobicContact CE2-CG 4.47Å
92G93Very high92.8Very high48 Ų4849.5 Ų49.550%0.49525%0.246SC..SBendtrans71.39.1-170.900000114R89R89-G92 PolarHBondContact O-N 3.46Å
93S93.2Very high92.9Very high1 Ų152.2 Ų52.21%0.00726%0.256CS..SBendtrans-141.3155.5-179.174.70000110.6F91 T95 L251F91-S93 PolarHBondContact O-N 2.61Å; S93-T95 PolarHBondContact OG-O 3.29Å; S93-L251 WeakPolarHBondContact CB-O 3.49Å
94N91.8Very high92.8Very high18 Ų1855 Ų5510%0.09628%0.276CS..SBendtrans-80.6-29.1168.750.17.4000112.6L251 E252 E253 R424 E425N94-L251 PolarHBondContact OD1-O 3.45Å; N94-E252 PolarHBondContact N-OE2 2.83Å; N94-E252 WeakPolarHBondContact OD1-CA 3.35Å; N94-E253 PolarHBondContact ND2-O 2.75Å; N94-E253 PolarHBondContact OD1-N 2.71Å; N94-R424 CarbonylContact O-C 3.56Å; N94-R424 VanDerWaalsContact O-CA 3.29Å; N94-R424 WeakPolarHBondContact O-CA 3.09Å; N94-E425 HydrophobicContact CB-CB 4.45Å; N94-E425 PolarHBondContact O-N 3.1Å
95T92.1Very high92.8Very high3 Ų351.2 Ų51.22%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-119.3137.9-174.7-66.80000110.4S93 L251 E253 Y423 R424S93-T95 PolarHBondContact OG-O 3.29Å; T95-L251 HydrophobicContact CG2-CB 4.41Å; T95-L251 HydrophobicContact CG2-CD1 4.49Å; T95-L251 PolarHBondContact N-O 3.11Å; T95-L251 PolarHBondContact O-N 3.09Å; T95-E253 PolarHBondContact OG1-OE2 2.86Å; T95-Y423 CarbonylContact C-O 3.54Å; T95-Y423 WeakPolarHBondContact CA-O 3.27Å; T95-R424 HydrophobicContact CG2-CG 4.22Å
96V94.6Very high92.5Very high1 Ų153.9 Ų53.91%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-127.3117.4167.4-173.80000108.1F91 L248 L249 Y250 D422 Y423F91-V96 HydrophobicContact CB-CG2 4.27Å; F91-V96 HydrophobicContact CD2-CG2 3.62Å; F91-V96 HydrophobicContact CE2-CG2 4.22Å; F91-V96 HydrophobicContact CG-CG2 4.12Å; V96-L248 HydrophobicContact CG1-CD1 3.56Å; V96-L248 HydrophobicContact CG1-CD2 4.11Å; V96-L248 HydrophobicContact CG1-CG 3.75Å; V96-L249 CarbonylContact C-O 3.54Å; V96-L249 VanDerWaalsContact CA-O 3.29Å; V96-L249 WeakPolarHBondContact CA-O 3.23Å; V96-Y250 HydrophobicContact CB-CD1 4.41Å; V96-Y250 HydrophobicContact CG1-CD1 4.1Å; V96-Y250 HydrophobicContact CG1-CE1 3.98Å; V96-Y250 HydrophobicContact CG2-CD1 3.52Å; V96-Y250 HydrophobicContact CG2-CE1 3.79Å; V96-Y250 HydrophobicContact CG2-CG 4.42Å; V96-D422 CarbonylContact O-C 3.53Å; V96-D422 WeakPolarHBondContact O-CA 3.14Å; V96-Y423 HydrophobicContact CB-CD1 4.28Å; V96-Y423 HydrophobicContact CG2-CD1 3.99Å; V96-Y423 PolarHBondContact N-O 2.86Å; V96-Y423 PolarHBondContact O-N 3.16Å
97R92.6Very high92.2Very high12 Ų1254.1 Ų54.15%0.04529%0.288CS..EExtended strand (participates in β ladder)trans-115.1125.9-173.8175.2167.4-58.9147.311.8110.3L99 E131 L249 L251 D422R97-L99 HydrophobicContact CG-CD2 3.85Å; R97-L99 HydrophobicContact CG-CG 4.34Å; R97-E131 IonicContact CZ-OE1 2.74Å; R97-E131 IonicContact CZ-OE2 2.84Å; R97-E131 VanDerWaalsContact NH1-CD 3.26Å; R97-E131 IonicContact NH1-OE1 3.78Å; R97-E131 PolarHBondContact NH1-OE1 2.78Å; R97-E131 IonicContact NH1-OE2 2.74Å; R97-E131 PolarHBondContact NH1-OE2 3.47Å; R97-E131 IonicContact NH2-OE1 2.89Å; R97-E131 PolarHBondContact NH2-OE1 3.1Å; R97-E131 IonicContact NH2-OE2 3.77Å; R97-L249 PolarHBondContact N-O 3.15Å; R97-L249 PolarHBondContact O-N 3.46Å; R97-L251 HydrophobicContact CB-CD1 4.1Å; R97-D422 VanDerWaalsContact CG-OD1 3.27Å; R97-D422 WeakPolarHBondContact CG-OD1 3.02Å; R97-D422 IonicContact CZ-OD2 3.51Å; R97-D422 IonicContact NE-OD1 3.74Å; R97-D422 PolarHBondContact NE-OD1 3.02Å; R97-D422 IonicContact NE-OD2 3.54Å; R97-D422 PolarHBondContact NE-OD2 3.37Å; R97-D422 IonicContact NH2-OD2 3.5Å; R97-D422 PolarHBondContact NH2-OD2 3.31Å
98L93.9Very high91.5Very high2 Ų254.6 Ų54.61%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-94.4120.5171.9-172.6149.9000110N67 F70 M71 R100 L248 V421N67-L98 HydrophobicContact CB-CD1 3.95Å; N67-L98 HydrophobicContact CB-CD2 3.96Å; F70-L98 HydrophobicContact CD1-CD1 3.99Å; M71-L98 HydrophobicContact CE-CB 4.42Å; M71-L98 HydrophobicContact CG-CB 3.96Å; M71-L98 HydrophobicContact CG-CD1 3.67Å; M71-L98 HydrophobicContact CG-CG 4.45Å; M71-L98 HydrophobicContact SD-CB 3.77Å; M71-L98 HydrophobicContact SD-CD1 4.02Å; L98-R100 HydrophobicContact CD2-CG 4.04Å; L98-L248 HydrophobicContact CB-CD1 4.12Å; L98-V421 PolarHBondContact N-O 3.1Å; L98-V421 VanDerWaalsContact N-O 3.14Å
99L92.3Very high90.9Very high8 Ų854.9 Ų54.94%0.04229%0.29CS..EExtended strand (participates in β ladder)trans-102.6120174.2-60.2-176.5000109.8R97 Y123 L247 L249 K420R97-L99 HydrophobicContact CG-CD2 3.85Å; R97-L99 HydrophobicContact CG-CG 4.34Å; L99-Y123 HydrophobicContact CB-CD1 4.37Å; L99-L247 HydrophobicContact CB-CB 4.22Å; L99-L247 HydrophobicContact CD1-CD2 4.24Å; L99-L247 PolarHBondContact N-O 3.18Å; L99-L247 PolarHBondContact O-N 3.5Å; L99-L249 HydrophobicContact CD1-CD1 3.51Å; L99-L249 HydrophobicContact CD1-CG 4.2Å; L99-L249 HydrophobicContact CG-CD1 4.21Å; L99-K420 HydrophobicContact CD2-CD 4.36Å
100R92.1Very high89.7Confident93 Ų9355.9 Ų55.935%0.35130%0.304SS..PPolyproline II helixtrans-77.7148163.9-68.7-172.9175.8109.1-3.1109.5D65 L98 K419D65-R100 IonicContact OD1-NH2 3.08Å; D65-R100 PolarHBondContact OD1-NH2 3.3Å; D65-R100 IonicContact OD2-CZ 2.87Å; D65-R100 IonicContact OD2-NH2 3.93Å; D65-R100 PolarHBondContact OD2-NH2 3.31Å; L98-R100 HydrophobicContact CD2-CG 4.04Å; R100-K419 PolarHBondContact NH1-O 3.39Å
101P93.2Very high88Confident29 Ų2954.7 Ų54.719%0.18831%0.31CS..PPolyproline II helixtrans-62.6140.9175.825-30000110.4V121 Q122 Y123 V244P101-V121 HydrophobicContact CB-CB 4.14Å; P101-V121 HydrophobicContact CB-CG1 4.31Å; P101-V121 HydrophobicContact CG-CG1 4.38Å; P101-Q122 CarbonylContact C-O 3.52Å; P101-Q122 VanDerWaalsContact CA-O 3.3Å; P101-Q122 WeakPolarHBondContact CA-O 3.5Å; P101-Y123 HydrophobicContact CB-CD1 4.16Å; P101-Y123 HydrophobicContact CB-CE1 3.83Å; P101-Y123 HydrophobicContact CG-CE1 4.3Å; P101-V244 HydrophobicContact CG-CG1 3.55Å
102A91.1Very high86.2Confident59 Ų5959.2 Ų59.249%0.48835%0.346SS..SBendtrans-74.2-32.9172.600000111.2Q122 K124A102-Q122 PolarHBondContact N-O 2.03Å; A102-K124 HydrophobicContact CB-CD 4.13Å; A102-K124 HydrophobicContact CB-CG 4Å
103E92.1Very high84.7Confident135 Ų13559.6 Ų59.663%0.63135%0.35SS*.EExtended strand (participates in β ladder)trans-141.8142.1175.3-172.6167.3177.800109.3Q122E103-Q122 HydrophobicContact CB-CB 4.32Å; E103-Q122 PolarHBondContact O-N 2.82Å
104S93.4Very high83.7Confident58 Ų5863.6 Ų63.641%0.40637%0.371SS..EExtended strand (participates in β ladder)trans-150.5140.2177.764.10000111.9T120S104-T120 CarbonylContact C-O 3.56Å; S104-T120 VanDerWaalsContact CA-O 3.25Å; S104-T120 WeakPolarHBondContact CA-O 2.99Å
105S92.9Very high83.2Confident54 Ų5463.5 Ų63.538%0.37837%0.37SS..EExtended strand (participates in β ladder)trans-127.5151.9168.566.20000110.6F119 T120S105-F119 WeakPolarHBondContact O-CA 3.27Å; S105-T120 PolarHBondContact N-O 2.95Å; S105-T120 PolarHBondContact O-N 3.5Å
106V90.5Very high83Confident79 Ų7964.7 Ų64.748%0.47938%0.378SS..EExtended strand (participates in β ladder)trans-128.1130.4177.463.60000109.9T118 F119V106-T118 WeakPolarHBondContact CA-O 3.41Å; V106-F119 HydrophobicContact CB-CD1 3.83Å; V106-F119 HydrophobicContact CB-CE1 3.72Å; V106-F119 HydrophobicContact CB-CZ 4.43Å; V106-F119 HydrophobicContact CG2-CD1 3.86Å; V106-F119 HydrophobicContact CG2-CD2 4.45Å; V106-F119 HydrophobicContact CG2-CE1 3.55Å; V106-F119 HydrophobicContact CG2-CE2 4.21Å; V106-F119 HydrophobicContact CG2-CG 4.32Å; V106-F119 HydrophobicContact CG2-CZ 3.76Å
107H87.8Confident82.7Confident119 Ų11965.1 Ų65.155%0.55138%0.38SS*.EExtended strand (participates in β ladder)trans-112.3130.9171.5-64.2-72.1000109.4T118H107-T118 PolarHBondContact N-O 3.38Å; H107-T118 PolarHBondContact O-N 2.72Å
108Y81Confident82.7Confident133 Ų13366 Ų6652%0.52239%0.386SS..EExtended strand (participates in β ladder)trans-115.3132.1179.3140.7-97000109.2P110 L115Y108-P110 HydrophobicContact CE1-CG 3.91Å; Y108-P110 HydrophobicContact CE2-CB 3.72Å; Y108-P110 HydrophobicContact CE2-CG 3.98Å; Y108-P110 VanDerWaalsContact CZ-CD 3.44Å; Y108-P110 VanDerWaalsContact CZ-CG 3.44Å; Y108-P110 VanDerWaalsContact OH-CB 3.24Å; Y108-P110 WeakPolarHBondContact OH-CB 3.24Å; Y108-P110 VanDerWaalsContact OH-CG 3.25Å; Y108-P110 WeakPolarHBondContact OH-CG 3.27Å; Y108-L115 HydrophobicContact CE2-CD2 4.12Å
109L74.9Confident82.8Confident123 Ų12366.1 Ų66.164%0.64439%0.387SS*.EExtended strand (participates in β ladder)trans-124.3111.7171.7-70.8171.5000108.5A111 T116L109-A111 PolarHBondContact O-N 2.88Å; L109-A111 VanDerWaalsContact O-N 3.08Å; L109-T116 PolarHBondContact N-O 2.03Å; L109-T116 VanDerWaalsContact N-O 3.16Å; L109-T116 PolarHBondContact O-N 2.82Å
110P63.8Low83Confident80 Ų8067.8 Ų67.852%0.51940%0.397SS..EExtended strand (participates in β ladder)trans-7596.8169.927-25.9000108.3Y108Y108-P110 HydrophobicContact CE1-CG 3.91Å; Y108-P110 HydrophobicContact CE2-CB 3.72Å; Y108-P110 HydrophobicContact CE2-CG 3.98Å; Y108-P110 VanDerWaalsContact CZ-CD 3.44Å; Y108-P110 VanDerWaalsContact CZ-CG 3.44Å; Y108-P110 VanDerWaalsContact OH-CB 3.24Å; Y108-P110 WeakPolarHBondContact OH-CB 3.24Å; Y108-P110 VanDerWaalsContact OH-CG 3.25Å; Y108-P110 WeakPolarHBondContact OH-CG 3.27Å
111A57.4Low83.2Confident56 Ų5663.4 Ų63.446%0.46338%0.381SS..  trans-76.5155.8159.900000108.3L109 G113 D114L109-A111 PolarHBondContact O-N 2.88Å; L109-A111 VanDerWaalsContact O-N 3.08Å; A111-G113 PolarHBondContact O-N 3.4Å; A111-D114 PolarHBondContact N-O 3.11Å
112S55.8Low83.2Confident132 Ų13264.6 Ų64.692%0.92338%0.384SS*.SBendtrans-62.791.4-179.555.90000111.3
113G62.9Low83.3Confident56 Ų5661.8 Ų61.858%0.57736%0.361SS*.SBendtrans110.6-37.7175.900000114.9A111A111-G113 PolarHBondContact O-N 3.4Å
114D71.1Confident83.1Confident86 Ų8660.9 Ų60.946%0.4636%0.355SS..  trans-105.2131.1-176.6-65.3-19.7000111.5A111A111-D114 PolarHBondContact N-O 3.11Å
115L81.4Confident82.7Confident15 Ų1558.4 Ų58.48%0.07934%0.337CS..EExtended strand (participates in β ladder)trans-86.4121.3174.9-67-179.2000110Y108 Y117 C213 L236Y108-L115 HydrophobicContact CE2-CD2 4.12Å; L115-Y117 HydrophobicContact CB-CE2 3.85Å; L115-Y117 HydrophobicContact CD1-CE2 4.44Å; L115-Y117 WeakPolarHBondContact CD1-OH 3.16Å; L115-C213 HydrophobicContact CB-CB 4.31Å; L115-C213 PolarHBondContact N-O 3.34Å; L115-C213 PolarHBondContact O-N 3.22Å; L115-L236 HydrophobicContact CD1-CB 3.77Å; L115-L236 HydrophobicContact CD1-CD2 3.31Å; L115-L236 HydrophobicContact CD1-CG 4.12Å; L115-L236 HydrophobicContact CD2-CB 4.45Å; L115-L236 HydrophobicContact CG-CB 4.29Å; L115-L236 HydrophobicContact CG-CD2 4.26Å
116T88Confident81.5Confident29 Ų2959.9 Ų59.918%0.17834%0.341CS..EExtended strand (participates in β ladder)trans-110.6125.8174.8-53.90000110.6L109 Y211L109-T116 PolarHBondContact N-O 2.03Å; L109-T116 VanDerWaalsContact N-O 3.16Å; L109-T116 PolarHBondContact O-N 2.82Å; T116-Y211 CarbonylContact C-O 3.59Å; T116-Y211 VanDerWaalsContact CA-O 3.26Å; T116-Y211 WeakPolarHBondContact CA-O 3.4Å
117Y88.7Confident80.1Confident10 Ų1059 Ų594%0.03934%0.335CS..EExtended strand (participates in β ladder)trans-116.3138.6174.9-53.3-93.2000110.2L115 Q210 Y211 P240 L242L115-Y117 HydrophobicContact CB-CE2 3.85Å; L115-Y117 HydrophobicContact CD1-CE2 4.44Å; L115-Y117 WeakPolarHBondContact CD1-OH 3.16Å; Y117-Q210 CarbonylContact O-C 3.55Å; Y117-Q210 WeakPolarHBondContact O-CA 3.37Å; Y117-Y211 PolarHBondContact N-O 2.86Å; Y117-Y211 PolarHBondContact O-N 3.41Å; Y117-P240 HydrophobicContact CE1-CB 4.47Å; Y117-L242 HydrophobicContact CD2-CD1 3.8Å; Y117-L242 HydrophobicContact CE2-CD1 4.16Å; Y117-L242 HydrophobicContact CG-CD1 4.32Å
118T93.3Very high79Confident30 Ų3054.2 Ų54.218%0.18431%0.314CS..EExtended strand (participates in β ladder)trans-123.8113.7169.3-58.50000108.7V106 H107 I208 A209 Q210V106-T118 WeakPolarHBondContact CA-O 3.41Å; H107-T118 PolarHBondContact N-O 3.38Å; H107-T118 PolarHBondContact O-N 2.72Å; T118-I208 HydrophobicContact CG2-CG2 3.73Å; T118-A209 WeakPolarHBondContact CA-O 3.32Å; T118-Q210 HydrophobicContact CG2-CG 4.3Å
119F94.9Very high78Confident5 Ų553.3 Ų53.32%0.02232%0.324CS..EExtended strand (participates in β ladder)trans-98.7128.2174.4-72.1-86.2000109.8S105 V106 V121 I208 A209 Y211 L242 V244S105-F119 WeakPolarHBondContact O-CA 3.27Å; V106-F119 HydrophobicContact CB-CD1 3.83Å; V106-F119 HydrophobicContact CB-CE1 3.72Å; V106-F119 HydrophobicContact CB-CZ 4.43Å; V106-F119 HydrophobicContact CG2-CD1 3.86Å; V106-F119 HydrophobicContact CG2-CD2 4.45Å; V106-F119 HydrophobicContact CG2-CE1 3.55Å; V106-F119 HydrophobicContact CG2-CE2 4.21Å; V106-F119 HydrophobicContact CG2-CG 4.32Å; V106-F119 HydrophobicContact CG2-CZ 3.76Å; F119-V121 HydrophobicContact CB-CG1 4.48Å; F119-I208 CarbonylContact O-C 3.56Å; F119-I208 WeakPolarHBondContact O-CA 3.3Å; F119-A209 PolarHBondContact N-O 3.46Å; F119-A209 PolarHBondContact O-N 2.99Å; F119-Y211 AromaticContact CD2-CD2 3.74Å; F119-Y211 HydrophobicContact CD2-CD2 3.74Å; F119-Y211 AromaticContact CD2-CE2 3.49Å; F119-Y211 HydrophobicContact CD2-CE2 3.49Å; F119-Y211 VanDerWaalsContact CD2-CE2 3.49Å; F119-Y211 HydrophobicContact CE2-CD2 4.15Å; F119-Y211 HydrophobicContact CE2-CE2 4.07Å; F119-Y211 HydrophobicContact CG-CE2 4.48Å; F119-L242 HydrophobicContact CE2-CB 4.22Å; F119-L242 HydrophobicContact CZ-CB 4.3Å; F119-V244 HydrophobicContact CD1-CG2 4.5Å; F119-V244 HydrophobicContact CE1-CG2 4.18Å
120T96.1Very high77.1Confident43 Ų4350.5 Ų50.526%0.26432%0.315SS..EExtended strand (participates in β ladder)trans-107.4120.6166.1-57.80000107.2S104 S105 T206 I208S104-T120 CarbonylContact C-O 3.56Å; S104-T120 VanDerWaalsContact CA-O 3.25Å; S104-T120 WeakPolarHBondContact CA-O 2.99Å; S105-T120 PolarHBondContact N-O 2.95Å; S105-T120 PolarHBondContact O-N 3.5Å; T120-T206 HydrophobicContact CG2-CG2 4.29Å; T120-I208 HydrophobicContact CG2-CG1 4.23Å
121V95.9Very high77.6Confident1 Ų147.4 Ų47.41%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-130140.5-173-70.90000110.8P101 F119 Y123 F138 T206 L207 V244P101-V121 HydrophobicContact CB-CB 4.14Å; P101-V121 HydrophobicContact CB-CG1 4.31Å; P101-V121 HydrophobicContact CG-CG1 4.38Å; F119-V121 HydrophobicContact CB-CG1 4.48Å; V121-Y123 HydrophobicContact CB-CE2 4.02Å; V121-Y123 HydrophobicContact CG2-CE2 3.55Å; V121-Y123 WeakPolarHBondContact CG2-OH 3.38Å; V121-F138 HydrophobicContact CG2-CE2 3.88Å; V121-F138 HydrophobicContact CG2-CZ 4.03Å; V121-T206 CarbonylContact O-C 3.47Å; V121-T206 WeakPolarHBondContact O-CA 3.47Å; V121-L207 HydrophobicContact CG2-CB 4.03Å; V121-L207 WeakPolarHBondContact CG2-O 3.45Å; V121-L207 PolarHBondContact N-O 3.36Å; V121-L207 PolarHBondContact O-N 2.9Å; V121-V244 HydrophobicContact CG1-CG1 3.61Å
122Q94.8Very high78.9Confident54 Ų5451.3 Ų51.325%0.25230%0.302SS..EExtended strand (participates in β ladder)trans-123.1127.4178.4-169.1-179.811.500110.5P101 A102 E103 H204 L205P101-Q122 CarbonylContact C-O 3.52Å; P101-Q122 VanDerWaalsContact CA-O 3.3Å; P101-Q122 WeakPolarHBondContact CA-O 3.5Å; A102-Q122 PolarHBondContact N-O 2.03Å; E103-Q122 HydrophobicContact CB-CB 4.32Å; E103-Q122 PolarHBondContact O-N 2.82Å; Q122-H204 HydrophobicContact CG-CB 3.92Å; Q122-H204 PolarHBondContact NE2-CD2 2.03Å; Q122-L205 CarbonylContact C-O 3.58Å; Q122-L205 WeakPolarHBondContact CA-O 3.25Å
123Y92.3Very high80.6Confident0 Ų046.6 Ų46.60%027%0.266CS..EExtended strand (participates in β ladder)trans-114.9140.9-179.5-55.7-82.9000111L99 P101 V121 F138 H204 L205 L207 P245 L247L99-Y123 HydrophobicContact CB-CD1 4.37Å; P101-Y123 HydrophobicContact CB-CD1 4.16Å; P101-Y123 HydrophobicContact CB-CE1 3.83Å; P101-Y123 HydrophobicContact CG-CE1 4.3Å; V121-Y123 HydrophobicContact CB-CE2 4.02Å; V121-Y123 HydrophobicContact CG2-CE2 3.55Å; V121-Y123 WeakPolarHBondContact CG2-OH 3.38Å; Y123-F138 HydrophobicContact CE2-CE2 4.04Å; Y123-F138 WeakPolarHBondContact OH-CE2 3.32Å; Y123-H204 CarbonylContact O-C 3.54Å; Y123-H204 VanDerWaalsContact O-CA 3.29Å; Y123-H204 WeakPolarHBondContact O-CA 3.46Å; Y123-L205 PolarHBondContact N-O 2.86Å; Y123-L205 PolarHBondContact O-N 3.48Å; Y123-L207 HydrophobicContact CE2-CD1 4.24Å; Y123-P245 VanDerWaalsContact OH-C 3.32Å; Y123-P245 PolarHBondContact OH-O 3.16Å; Y123-L247 HydrophobicContact CD1-CB 3.69Å; Y123-L247 HydrophobicContact CD1-CD2 4.38Å; Y123-L247 HydrophobicContact CD2-CB 4.22Å; Y123-L247 HydrophobicContact CD2-CD2 4.11Å; Y123-L247 HydrophobicContact CE1-CB 3.66Å; Y123-L247 HydrophobicContact CE2-CB 4.18Å; Y123-L247 HydrophobicContact CG-CB 3.98Å; Y123-L247 HydrophobicContact CG-CD2 3.9Å
124K88.4Confident82.1Confident116 Ų11646.9 Ų46.950%0.50426%0.257SS..EExtended strand (participates in β ladder)trans-86.9109.6172.4-70.5-179.5176.8-174.60109.9A102 H204A102-K124 HydrophobicContact CB-CD 4.13Å; A102-K124 HydrophobicContact CB-CG 4Å; K124-H204 VanDerWaalsContact CE-NE2 3.33Å; K124-H204 WeakPolarHBondContact CE-NE2 3.11Å
125V85.3Confident83.2Confident5 Ų547.1 Ų47.13%0.0325%0.251CS..  trans-105.6-9.7-174.9-169.70000112.3T127 L128 I193 G203 L205 L247V125-T127 PolarHBondContact O-N 3.42Å; V125-L128 HydrophobicContact CG1-CD1 3.55Å; V125-L128 HydrophobicContact CG1-CG 4.31Å; V125-L128 WeakPolarHBondContact O-CG 3.42Å; V125-L128 PolarHBondContact O-N 3.02Å; V125-I193 HydrophobicContact CG1-CD1 3.87Å; V125-I193 HydrophobicContact CG1-CG1 3.8Å; V125-G203 PolarHBondContact N-O 2.91Å; V125-L205 HydrophobicContact CG2-CB 3.67Å; V125-L247 HydrophobicContact CG2-CD2 4.49Å
126D67.3Low83.9Confident85 Ų8546.4 Ų46.446%0.45525%0.248SC..THydrogen-bonded Turntrans-45.6-20.2175.2-73.4-47.7000117.2L128 G203D126-L128 VanDerWaalsContact C-N 3.28Å; D126-L128 PolarHBondContact O-N 3.08Å; D126-G203 VanDerWaalsContact CG-CA 3.41Å; D126-G203 PolarHBondContact N-O 3.42Å; D126-G203 WeakPolarHBondContact OD1-CA 3.29Å; D126-G203 PolarHBondContact OD1-N 3.31Å; D126-G203 PolarHBondContact OD2-N 3.37Å
127T60.2Low84.3Confident60 Ų6045 Ų4537%0.36824%0.239SC..THydrogen-bonded Turntrans-86.118.3-172.460.40000114.7V125 P129V125-T127 PolarHBondContact O-N 3.42Å; T127-P129 WeakPolarHBondContact O-CD 3.47Å
128L65.9Low84.7Confident19 Ų1944.6 Ų44.610%0.09924%0.237CC..  trans-102.923.9-177.2-58.3178.6000117V125 D126 S130 E131 I193 L249 L251V125-L128 HydrophobicContact CG1-CD1 3.55Å; V125-L128 HydrophobicContact CG1-CG 4.31Å; V125-L128 WeakPolarHBondContact O-CG 3.42Å; V125-L128 PolarHBondContact O-N 3.02Å; D126-L128 VanDerWaalsContact C-N 3.28Å; D126-L128 PolarHBondContact O-N 3.08Å; L128-S130 PolarHBondContact O-N 2.94Å; L128-E131 HydrophobicContact CD2-CB 4.29Å; L128-E131 WeakPolarHBondContact CD2-OE2 3.27Å; L128-E131 PolarHBondContact O-N 2.93Å; L128-I193 HydrophobicContact CD1-CD1 3.58Å; L128-L249 HydrophobicContact CD1-CD1 4.19Å; L128-L249 HydrophobicContact CD2-CD1 4.14Å; L128-L251 HydrophobicContact CD2-CD1 3.77Å; L128-L251 HydrophobicContact CD2-CD2 3.75Å; L128-L251 HydrophobicContact CD2-CG 4.43Å
129P59.2Low84.8Confident115 Ų11543.1 Ų43.175%0.74723%0.229SC*.THydrogen-bonded Turntrans-70.9-26-170.628.9-34.4000114.8T127T127-P129 WeakPolarHBondContact O-CD 3.47Å
130S57.4Low84.8Confident63 Ų6342.9 Ų42.944%0.44123%0.228SC..THydrogen-bonded Turntrans-107.48.617754.60000113.7L128L128-S130 PolarHBondContact O-N 2.94Å
131E73.8Confident84.7Confident15 Ų1540.9 Ų40.97%0.0722%0.215CC..EExtended strand (participates in β ladder)trans-121.7125.2-170.8-64.8171173.300109.2R97 L128 L251 E253 R255R97-E131 IonicContact CZ-OE1 2.74Å; R97-E131 IonicContact CZ-OE2 2.84Å; R97-E131 VanDerWaalsContact NH1-CD 3.26Å; R97-E131 IonicContact NH1-OE1 3.78Å; R97-E131 PolarHBondContact NH1-OE1 2.78Å; R97-E131 IonicContact NH1-OE2 2.74Å; R97-E131 PolarHBondContact NH1-OE2 3.47Å; R97-E131 IonicContact NH2-OE1 2.89Å; R97-E131 PolarHBondContact NH2-OE1 3.1Å; R97-E131 IonicContact NH2-OE2 3.77Å; L128-E131 HydrophobicContact CD2-CB 4.29Å; L128-E131 WeakPolarHBondContact CD2-OE2 3.27Å; L128-E131 PolarHBondContact O-N 2.93Å; E131-L251 HydrophobicContact CB-CB 4.43Å; E131-L251 HydrophobicContact CB-CD2 4.47Å; E131-L251 WeakPolarHBondContact OE2-CD1 3.47Å; E131-E253 HydrophobicContact CG-CB 4.35Å; E131-E253 HydrophobicContact CG-CG 4.08Å; E131-R255 IonicContact OE1-NH2 3.09Å
132Q85.3Confident84.4Confident139 Ų13941.7 Ų41.765%0.6522%0.218SC*.EExtended strand (participates in β ladder)trans-87.8122.3175.7-178.4178.46.200110V134 L251 E252Q132-V134 PolarHBondContact O-N 3.17Å; Q132-L251 CarbonylContact O-C 3.54Å; Q132-L251 WeakPolarHBondContact O-CA 3.42Å; Q132-E252 HydrophobicContact CB-CB 4.26Å; Q132-E252 PolarHBondContact N-O 3.12Å; Q132-E252 PolarHBondContact O-N 3.4Å
133L91.1Very high83.9Confident32 Ų3241.8 Ų41.817%0.16822%0.222CC..EExtended strand (participates in β ladder)trans-70.5117.6175.8-176.666.2000110.8R135 A136 V189 I193 L249 L251L133-R135 WeakPolarHBondContact CD1-O 3.35Å; L133-A136 HydrophobicContact CD1-CB 4.31Å; L133-A136 HydrophobicContact CD2-CB 4.47Å; L133-V189 HydrophobicContact CD2-CB 4.13Å; L133-V189 HydrophobicContact CD2-CG1 3.71Å; L133-I193 HydrophobicContact CD2-CD1 3.96Å; L133-L249 HydrophobicContact CD1-CB 4.42Å; L133-L249 HydrophobicContact CD1-CD2 4.1Å; L133-L251 HydrophobicContact CB-CD2 4.41Å; L133-L251 HydrophobicContact CD1-CD2 3.8Å
134V93.4Very high82.8Confident63 Ų6344.3 Ų44.338%0.38224%0.24SC..EExtended strand (participates in β ladder)trans-92.2-45175.2179.50000110.7Q132 Y250 E252Q132-V134 PolarHBondContact O-N 3.17Å; V134-Y250 WeakPolarHBondContact CB-O 3.17Å; V134-Y250 PolarHBondContact N-O 3.18Å; V134-E252 HydrophobicContact CG2-CB 3.96Å
135R94.9Very high81.4Confident91 Ų9144 Ų4434%0.34325%0.253SS..EExtended strand (participates in β ladder)trans-153.8148.4-179.6173.6-174.9167.8110.8-7.8110.1L133 S137 E182 D184 T186 Y250L133-R135 WeakPolarHBondContact CD1-O 3.35Å; R135-S137 PolarHBondContact NE-OG 3.14Å; R135-S137 VanDerWaalsContact NE-OG 3.11Å; R135-S137 PolarHBondContact NH2-OG 3.27Å; R135-E182 IonicContact NH2-OE2 3.78Å; R135-D184 IonicContact CZ-OD2 3.35Å; R135-D184 IonicContact NH1-OD2 2.99Å; R135-D184 PolarHBondContact NH1-OD2 3.21Å; R135-D184 VanDerWaalsContact NH1-OD2 3.09Å; R135-T186 WeakPolarHBondContact CA-OG1 3.44Å; R135-Y250 HydrophobicContact CB-CD2 3.74Å; R135-Y250 HydrophobicContact CB-CG 4.05Å; R135-Y250 HydrophobicContact CG-CD2 3.73Å; R135-Y250 HydrophobicContact CG-CE2 4.12Å; R135-Y250 HydrophobicContact CG-CG 4.46Å; R135-Y250 PolarHBondContact N-O 2.78Å; R135-Y250 WeakPolarHBondContact O-CB 3.2Å; R135-Y250 WeakPolarHBondContact O-CD2 3.24Å; R135-Y250 PolarHBondContact O-N 2.95Å
136A95.6Very high79.6Confident0 Ų049.5 Ų49.50%029%0.287CS..EExtended strand (participates in β ladder)trans-127.1139.7168.700000110.7L133 I185 T186 V189 L248 L249L133-A136 HydrophobicContact CD1-CB 4.31Å; L133-A136 HydrophobicContact CD2-CB 4.47Å; A136-I185 HydrophobicContact CB-CG1 4.07Å; A136-I185 PolarHBondContact O-N 2.7Å; A136-T186 PolarHBondContact N-OG1 2.81Å; A136-T186 PolarHBondContact O-N 3.15Å; A136-T186 PolarHBondContact O-OG1 2.83Å; A136-V189 HydrophobicContact CB-CB 3.95Å; A136-V189 HydrophobicContact CB-CG1 4.28Å; A136-V189 HydrophobicContact CB-CG2 3.73Å; A136-L248 CarbonylContact C-O 3.59Å; A136-L248 WeakPolarHBondContact CA-O 3.42Å; A136-L249 HydrophobicContact CB-CD2 3.84Å
137S96.8Very high78.7Confident0 Ų051.5 Ų51.50%030%0.304CS..EExtended strand (participates in β ladder)trans-136.6134.4179.9-58.30000111.3R135 T183 L248R135-S137 PolarHBondContact NE-OG 3.14Å; R135-S137 VanDerWaalsContact NE-OG 3.11Å; R135-S137 PolarHBondContact NH2-OG 3.27Å; S137-T183 CarbonylContact C-O 3.44Å; S137-T183 VanDerWaalsContact CA-O 3.28Å; S137-T183 WeakPolarHBondContact CA-O 3.38Å; S137-L248 PolarHBondContact N-O 3.4Å; S137-L248 PolarHBondContact O-N 3.02Å
138F96.8Very high77.7Confident0 Ų053.7 Ų53.70%032%0.322CS..EExtended strand (participates in β ladder)trans-87.2119173-164.8-98.8000108.7V121 Y123 H140 I163 E182 T183 I185 L207 A209 P245V121-F138 HydrophobicContact CG2-CE2 3.88Å; V121-F138 HydrophobicContact CG2-CZ 4.03Å; Y123-F138 HydrophobicContact CE2-CE2 4.04Å; Y123-F138 WeakPolarHBondContact OH-CE2 3.32Å; F138-H140 AromaticContact CD1-CE1 3.42Å; F138-H140 VanDerWaalsContact CD1-CE1 3.42Å; F138-H140 WeakPolarHBondContact CD1-CE1 3.46Å; F138-H140 AromaticContact CD1-ND1 3.87Å; F138-H140 AromaticContact CD1-NE2 3.66Å; F138-H140 AromaticContact CE1-CE1 3.73Å; F138-H140 AromaticContact CE1-ND1 3.93Å; F138-I163 HydrophobicContact CB-CD1 3.84Å; F138-I163 HydrophobicContact CD1-CD1 4Å; F138-I163 HydrophobicContact CD1-CG1 4.38Å; F138-I163 HydrophobicContact CD2-CD1 4.41Å; F138-I163 HydrophobicContact CG-CD1 3.85Å; F138-E182 WeakPolarHBondContact O-CA 3.44Å; F138-T183 PolarHBondContact N-O 3.46Å; F138-T183 PolarHBondContact O-N 3.22Å; F138-I185 HydrophobicContact CB-CD1 4.08Å; F138-I185 HydrophobicContact CB-CG1 4.45Å; F138-I185 HydrophobicContact CB-CG2 4.01Å; F138-I185 HydrophobicContact CD2-CD1 4.4Å; F138-L207 HydrophobicContact CD2-CD1 3.62Å; F138-L207 HydrophobicContact CE2-CB 4.23Å; F138-L207 HydrophobicContact CE2-CD1 3.73Å; F138-A209 HydrophobicContact CE1-CB 3.79Å; F138-A209 HydrophobicContact CZ-CB 3.88Å; F138-P245 HydrophobicContact CD1-CB 4.08Å; F138-P245 HydrophobicContact CE1-CB 3.27Å; F138-P245 HydrophobicContact CE1-CG 3.67Å; F138-P245 HydrophobicContact CE2-CB 3.97Å; F138-P245 HydrophobicContact CZ-CB 3.22Å; F138-P245 HydrophobicContact CZ-CG 3.71Å
139V96.5Very high76.6Confident0 Ų055.3 Ų55.30%034%0.343CS..EExtended strand (participates in β ladder)trans-99.1112.9-173.6-170.20000109.3F70 L141 W180 E182 P245 S246 L248F70-V139 HydrophobicContact CD1-CG1 4.38Å; F70-V139 HydrophobicContact CD2-CG1 4.33Å; F70-V139 HydrophobicContact CE1-CG1 4.21Å; F70-V139 HydrophobicContact CE1-CG2 4.03Å; F70-V139 HydrophobicContact CE2-CG1 4.17Å; F70-V139 HydrophobicContact CG-CG1 4.43Å; F70-V139 HydrophobicContact CZ-CG1 4.11Å; F70-V139 HydrophobicContact CZ-CG2 4.13Å; V139-L141 HydrophobicContact CG1-CD2 4.09Å; V139-L141 HydrophobicContact CG1-CG 4.1Å; V139-W180 HydrophobicContact CG1-CB 4.41Å; V139-E182 HydrophobicContact CG2-CG 4.47Å; V139-P245 WeakPolarHBondContact O-CA 3.43Å; V139-P245 WeakPolarHBondContact O-CB 3.38Å; V139-S246 PolarHBondContact N-O 3.16Å; V139-S246 PolarHBondContact O-N 2.84Å; V139-L248 HydrophobicContact CG2-CB 3.76Å; V139-L248 HydrophobicContact CG2-CD2 4.49Å
140H94.9Very high75.9Confident0 Ų057.4 Ų57.40%035%0.354CS..EExtended strand (participates in β ladder)trans-86.8126.1174.9-53.7-88.7000108.7F138 W180 T181 T183 Y211F138-H140 AromaticContact CD1-CE1 3.42Å; F138-H140 VanDerWaalsContact CD1-CE1 3.42Å; F138-H140 WeakPolarHBondContact CD1-CE1 3.46Å; F138-H140 AromaticContact CD1-ND1 3.87Å; F138-H140 AromaticContact CD1-NE2 3.66Å; F138-H140 AromaticContact CE1-CE1 3.73Å; F138-H140 AromaticContact CE1-ND1 3.93Å; H140-W180 CarbonylContact O-C 3.56Å; H140-W180 WeakPolarHBondContact O-CA 3.49Å; H140-W180 WeakPolarHBondContact O-CB 3.23Å; H140-T181 HydrophobicContact CB-CG2 3.85Å; H140-T181 PolarHBondContact CD2-O 2.76Å; H140-T181 PolarHBondContact N-O 3.03Å; H140-T181 PolarHBondContact O-N 3.4Å; H140-T183 PolarHBondContact NE2-OG1 2.99Å; H140-Y211 HydrophobicContact CB-CE1 4.25Å; H140-Y211 AromaticContact ND1-CE1 3.45Å; H140-Y211 WeakPolarHBondContact ND1-CE1 3.28Å; H140-Y211 AromaticContact ND1-CZ 3.4Å; H140-Y211 PolarHBondContact ND1-OH 2.95Å
141L92.6Very high75.5Confident1 Ų160.2 Ų60.21%0.00537%0.368CS..EExtended strand (participates in β ladder)trans-123.2139.1-170.4-68154000111.2Q66 N67 V139 W180 L242 E243Q66-L141 HydrophobicContact CB-CD2 4.08Å; N67-L141 WeakPolarHBondContact OD1-CD1 3.41Å; V139-L141 HydrophobicContact CG1-CD2 4.09Å; V139-L141 HydrophobicContact CG1-CG 4.1Å; L141-W180 HydrophobicContact CD2-CB 4.03Å; L141-L242 WeakPolarHBondContact O-CA 3.48Å; L141-E243 HydrophobicContact CB-CB 3.91Å; L141-E243 PolarHBondContact O-N 3.36Å
142R89.6Confident74.4Confident17 Ų1768.4 Ų68.46%0.06441%0.407CS..EExtended strand (participates in β ladder)trans-97.8139.3172-163.9-179.7-68.6-87.513110.1Q66 P157 L174 E175 Q178 R179 Q241Q66-R142 WeakPolarHBondContact CG-O 3.47Å; R142-P157 PolarHBondContact NH1-O 2.83Å; R142-P157 PolarHBondContact NH2-O 2.84Å; R142-L174 HydrophobicContact CB-CD2 4.31Å; R142-L174 PolarHBondContact NH2-O 2.98Å; R142-E175 PolarHBondContact NH2-O 3.4Å; R142-E175 VanDerWaalsContact NH2-O 3.13Å; R142-Q178 PolarHBondContact NE-O 2.73Å; R142-R179 WeakPolarHBondContact CB-O 3.11Å; R142-R179 PolarHBondContact N-O 2.86Å; R142-Q241 VanDerWaalsContact CG-O 3.27Å; R142-Q241 WeakPolarHBondContact CG-O 3.43Å
143T84.1Confident72.9Confident56 Ų5666.8 Ų66.834%0.34442%0.417SS..  trans-60.2138.5177.5-47.10000111S145 P240 Q241 L242T143-S145 PolarHBondContact O-N 3.48Å; T143-P240 PolarHBondContact OG1-O 3.48Å; T143-Q241 PolarHBondContact N-O 2.84Å; T143-Q241 PolarHBondContact OG1-O 3.49Å; T143-L242 PolarHBondContact OG1-N 3.13Å
144S69.7Low71.6Confident53 Ų5371.2 Ų71.237%0.37145%0.445SS..  trans-67.3113.1173.6-156.20000110.7Q66 T146Q66-S144 PolarHBondContact NE2-OG 3.07Å; S144-T146 PolarHBondContact O-N 3.37Å
145S58.1Low70.6Confident111 Ų11174 Ų7478%0.77645%0.454SS*.  trans-82.4105.4167.951.90000109.7T143 P147T143-S145 PolarHBondContact O-N 3.48Å; S145-P147 WeakPolarHBondContact O-CD 3.22Å
146T48.1Very low69.8Low120 Ų12071.7 Ų71.774%0.73645%0.451SS*.  trans-70.3121.9163.4-10.90000107.3S144 S148S144-T146 PolarHBondContact O-N 3.37Å; T146-S148 VanDerWaalsContact C-N 3.26Å; T146-S148 PolarHBondContact O-N 3.32Å
147P47.8Very low69.2Low127 Ų12772 Ų7283%0.82545%0.453SS*.  trans-72.586.617727.9-31.2000108.7S145 G149S145-P147 WeakPolarHBondContact O-CD 3.22Å; P147-G149 PolarHBondContact O-N 3.32Å
148S40.3Very low68.9Low105 Ų10574.3 Ų74.373%0.73447%0.465SS*.  trans-74.3101.6165.956.10000107.9T146T146-S148 VanDerWaalsContact C-N 3.26Å; T146-S148 PolarHBondContact O-N 3.32Å
149G43.1Very low68.6Low53 Ų5374.3 Ų74.355%0.54647%0.465SS..SBendtrans43.2114.3154.800000119.2P147 T151P147-G149 PolarHBondContact O-N 3.32Å; G149-T151 PolarHBondContact O-N 3.06Å; G149-T151 VanDerWaalsContact O-N 3.15Å
150T45.2Very low68.4Low159 Ų15981 Ų8198%0.97549%0.49SS*.SBendtrans68.84.8148.355.50000120.7
151T48.6Very low68.4Low122 Ų12281 Ų8175%0.74849%0.491SS*.SBendtrans-106.4136.7167.1430000110.4G149 A153G149-T151 PolarHBondContact O-N 3.06Å; G149-T151 VanDerWaalsContact O-N 3.15Å; T151-A153 PolarHBondContact O-N 2.78Å
152Q49.2Very low68.5Low188 Ų18883.1 Ų83.188%0.87950%0.5SS*.  trans-44.3126175.8-101.3167.3-26.600109.5V154Q152-V154 PolarHBondContact O-N 3.48Å
153A53.7Low68.8Low104 Ų10482.3 Ų82.386%0.8650%0.497SS*.  trans-62.9100.9175.200000108.1T151 E155T151-A153 PolarHBondContact O-N 2.78Å; A153-E155 PolarHBondContact O-N 3.28Å
154V65.6Low69.3Low126 Ų12683 Ų8376%0.76450%0.501SS*.PPolyproline II helixtrans-65.3123.6172.9-179.80000106.8Q152Q152-V154 PolarHBondContact O-N 3.48Å
155E70.7Confident70.3Confident121 Ų12183.8 Ų83.857%0.56551%0.507SS*.PPolyproline II helixtrans-63.4131.8178.1-165.9172.2-176.900108.9A153 P176A153-E155 PolarHBondContact O-N 3.28Å; E155-P176 HydrophobicContact CG-CB 3.86Å; E155-P176 WeakPolarHBondContact OE1-CB 3.48Å
156P79.3Confident72Confident42 Ų4280.4 Ų80.427%0.27348%0.48SS..PPolyproline II helixtrans-66.1147.3-17628.1-36.8000111.2P176P156-P176 HydrophobicContact CG-CB 4.24Å; P156-P176 WeakPolarHBondContact CG-O 3.37Å; P156-P176 WeakPolarHBondContact O-CB 3.4Å; P156-P176 WeakPolarHBondContact O-CG 3.46Å
157P83.8Confident74.1Confident6 Ų675.8 Ų75.84%0.03946%0.456CS..PPolyproline II helixtrans-67.5152.7-176.228.7-34.7000111.7R142 C159 C213 A214 L236R142-P157 PolarHBondContact NH1-O 2.83Å; R142-P157 PolarHBondContact NH2-O 2.84Å; P157-C159 PolarHBondContact O-N 3.37Å; P157-C213 HydrophobicContact CB-CB 4.31Å; P157-C213 HydrophobicContact CG-CB 4.17Å; P157-A214 WeakPolarHBondContact CB-O 3.41Å; P157-L236 HydrophobicContact CG-CD2 4.34Å
158L88.8Confident76.1Confident50 Ų5073.7 Ų73.726%0.26245%0.449SS..EExtended strand (participates in β ladder)trans-70.1126.7168.7-178.6152000108.2R160 T173 C213 A214L158-R160 HydrophobicContact CD2-CG 4.18Å; L158-T173 HydrophobicContact CD1-CG2 4.05Å; L158-T173 HydrophobicContact CD2-CG2 3.76Å; L158-T173 HydrophobicContact CG-CG2 3.83Å; L158-C213 VanDerWaalsContact O-CA 3.3Å; L158-C213 WeakPolarHBondContact O-CA 3.19Å; L158-A214 PolarHBondContact N-O 2.83Å; L158-A214 PolarHBondContact O-N 3Å
159C90.9Very high78.4Confident0 Ų073.8 Ų73.80%045%0.45CS..EExtended strand (participates in β ladder)trans-118.3129-179.4-66.30000110.3P157 L174 W212 C213P157-C159 PolarHBondContact O-N 3.37Å; C159-L174 HydrophobicContact CB-CB 4.34Å; C159-L174 PolarHBondContact N-O 2.9Å; C159-L174 VanDerWaalsContact N-O 3.1Å; C159-L174 PolarHBondContact O-N 2.92Å; C159-W212 CarbonylContact C-O 3.53Å; C159-W212 WeakPolarHBondContact CA-O 3.45Å; C159-C213 HydrophobicContact CB-CB 4.15Å; C159-C213 WeakPolarHBondContact CB-SG 3.4Å; C159-C213 WeakPolarHBondContact SG-CB 3.27Å; C159-C213 CovalentContact SG-SG 2.04Å; C159-C213 PolarHBondContact SG-SG 3.21Å
160R92.8Very high80.8Confident140 Ų14071.3 Ų71.353%0.52842%0.424SS..EExtended strand (participates in β ladder)trans-97138.1166.6-66.7-177.2-177.1138.63109.1L158 L171 V172 T173 Y211 W212L158-R160 HydrophobicContact CD2-CG 4.18Å; R160-L171 HydrophobicContact CB-CD1 4.44Å; R160-V172 CarbonylContact C-O 3.55Å; R160-V172 WeakPolarHBondContact CA-O 3.43Å; R160-T173 HydrophobicContact CG-CG2 4.39Å; R160-Y211 CarbonylContact O-C 3.59Å; R160-Y211 WeakPolarHBondContact O-CA 3.46Å; R160-W212 HydrophobicContact CB-CE3 4.29Å; R160-W212 PolarHBondContact N-O 2.89Å; R160-W212 PolarHBondContact O-N 2.86Å
161A94.1Very high83.2Confident1 Ų168.2 Ų68.21%0.00840%0.401CS..EExtended strand (participates in β ladder)trans-125.5143.7179.500000110.5L171 V172 Q210 Y211A161-L171 WeakPolarHBondContact O-CA 3.13Å; A161-V172 HydrophobicContact CB-CG1 3.91Å; A161-V172 PolarHBondContact N-O 3.46Å; A161-V172 PolarHBondContact O-N 2.86Å; A161-Q210 CarbonylContact C-O 3.49Å; A161-Q210 VanDerWaalsContact CA-O 3.29Å; A161-Q210 WeakPolarHBondContact CA-O 3.44Å; A161-Y211 HydrophobicContact CB-CD1 3.44Å; A161-Y211 VanDerWaalsContact CB-CD1 3.44Å; A161-Y211 HydrophobicContact CB-CE1 3.34Å; A161-Y211 HydrophobicContact CB-CG 4.22Å
162Q95.7Very high85.5Confident45 Ų4563.6 Ų63.621%0.2137%0.373CS..EExtended strand (participates in β ladder)trans-144.4140.8177.2-174.2177.724.200110.2G167 L171 A209 Q210 W212Q162-G167 WeakPolarHBondContact CG-O 3.49Å; Q162-G167 PolarHBondContact NE2-O 3.43Å; Q162-L171 HydrophobicContact CB-CD1 4.14Å; Q162-A209 CarbonylContact O-C 3.52Å; Q162-A209 WeakPolarHBondContact O-CA 3.3Å; Q162-Q210 PolarHBondContact N-O 2.82Å; Q162-Q210 PolarHBondContact O-N 3.02Å; Q162-W212 HydrophobicContact CB-CH2 3.96Å; Q162-W212 HydrophobicContact CB-CZ3 3.7Å
163I96.1Very high87.6Confident0 Ų057 Ų570%035%0.346CS..EExtended strand (participates in β ladder)trans-94.8118.3174-52.9172.6000108.4F138 S165 L166 G167 S170 T183 I185 L207 I208F138-I163 HydrophobicContact CB-CD1 3.84Å; F138-I163 HydrophobicContact CD1-CD1 4Å; F138-I163 HydrophobicContact CD1-CG1 4.38Å; F138-I163 HydrophobicContact CD2-CD1 4.41Å; F138-I163 HydrophobicContact CG-CD1 3.85Å; I163-S165 VanDerWaalsContact C-N 3.29Å; I163-S165 PolarHBondContact O-N 3.11Å; I163-L166 HydrophobicContact CB-CB 4.42Å; I163-L166 HydrophobicContact CB-CD1 4.1Å; I163-L166 HydrophobicContact CG2-CD1 3.65Å; I163-L166 PolarHBondContact O-N 2.86Å; I163-G167 PolarHBondContact O-N 3.46Å; I163-S170 PolarHBondContact N-OG 2.85Å; I163-S170 PolarHBondContact O-OG 2.79Å; I163-S170 VanDerWaalsContact O-OG 3.14Å; I163-T183 HydrophobicContact CD1-CG2 4.05Å; I163-I185 HydrophobicContact CD1-CG2 3.47Å; I163-I185 VanDerWaalsContact CD1-CG2 3.47Å; I163-L207 HydrophobicContact CG2-CD2 4.3Å; I163-I208 WeakPolarHBondContact CA-O 3.46Å
164T94Very high89.4Confident69 Ų6952.1 Ų52.142%0.42331%0.305SS..THydrogen-bonded Turntrans-57.4-40.4-169.9-51.90000112.6L166 I208T164-L166 VanDerWaalsContact C-N 3.31Å; T164-L166 PolarHBondContact O-N 2.91Å; T164-I208 PolarHBondContact N-O 3.06Å; T164-I208 PolarHBondContact OG1-O 3.11Å
165S91.6Very high90.6Very high70 Ų7049.2 Ų49.249%0.4928%0.283SS..THydrogen-bonded Turntrans-71.4-20.6-179.8510000114.2I163I163-S165 VanDerWaalsContact C-N 3.29Å; I163-S165 PolarHBondContact O-N 3.11Å
166L92.7Very high91.3Very high40 Ų4044.4 Ų44.421%0.20926%0.263CS..THydrogen-bonded Turntrans-99.6-18.4179-76.583.9000112.5I163 T164 S169 I185 H188I163-L166 HydrophobicContact CB-CB 4.42Å; I163-L166 HydrophobicContact CB-CD1 4.1Å; I163-L166 HydrophobicContact CG2-CD1 3.65Å; I163-L166 PolarHBondContact O-N 2.86Å; T164-L166 VanDerWaalsContact C-N 3.31Å; T164-L166 PolarHBondContact O-N 2.91Å; L166-S169 PolarHBondContact O-OG 3.08Å; L166-I185 HydrophobicContact CD2-CB 4.34Å; L166-I185 HydrophobicContact CD2-CG2 3.88Å; L166-H188 HydrophobicContact CD1-CB 4.29Å
167G91.5Very high91.7Very high24 Ų2449.3 Ų49.325%0.24728%0.282CS..G310 helixtrans66.6-147.6178.800000112.4Q162 I163 S169 S170Q162-G167 WeakPolarHBondContact CG-O 3.49Å; Q162-G167 PolarHBondContact NE2-O 3.43Å; I163-G167 PolarHBondContact O-N 3.46Å; G167-S169 PolarHBondContact O-N 3.37Å; G167-S170 PolarHBondContact O-N 2.82Å; G167-S170 VanDerWaalsContact O-N 3.15Å; G167-S170 PolarHBondContact O-OG 2.8Å
168A90.1Very high91.9Very high82 Ų8252 Ų5268%0.67829%0.294SS*.G310 helixtrans-64.4-22.7-16800000114.6S170 L171A168-S170 PolarHBondContact O-N 2.87Å; A168-L171 WeakPolarHBondContact O-CB 3.25Å; A168-L171 PolarHBondContact O-N 2.77Å
169S90Very high92Very high107 Ų10756.8 Ų56.875%0.74831%0.308SS*.G310 helixtrans-66.9-18.7176.857.30000113.4L166 G167L166-S169 PolarHBondContact O-OG 3.08Å; G167-S169 PolarHBondContact O-N 3.37Å
170S93.2Very high92.2Very high1 Ų159.7 Ų59.71%0.00732%0.319CS..G310 helixtrans-985.7178.468.80000114I163 G167 A168 V172I163-S170 PolarHBondContact N-OG 2.85Å; I163-S170 PolarHBondContact O-OG 2.79Å; I163-S170 VanDerWaalsContact O-OG 3.14Å; G167-S170 PolarHBondContact O-N 2.82Å; G167-S170 VanDerWaalsContact O-N 3.15Å; G167-S170 PolarHBondContact O-OG 2.8Å; A168-S170 PolarHBondContact O-N 2.87Å; S170-V172 PolarHBondContact O-N 3.12Å
171L95.6Very high92.3Very high94 Ų9454.1 Ų54.149%0.49230%0.301SS..  trans-72.1117.2-178.8-175.570.3000110.2R160 A161 Q162 A168R160-L171 HydrophobicContact CB-CD1 4.44Å; A161-L171 WeakPolarHBondContact O-CA 3.13Å; Q162-L171 HydrophobicContact CB-CD1 4.14Å; A168-L171 WeakPolarHBondContact O-CB 3.25Å; A168-L171 PolarHBondContact O-N 2.77Å
172V95.5Very high92.3Very high26 Ų2657 Ų5716%0.15831%0.314CS..EExtended strand (participates in β ladder)trans-127151.3177.269.50000110.5R160 A161 S170 T181 T183R160-V172 CarbonylContact C-O 3.55Å; R160-V172 WeakPolarHBondContact CA-O 3.43Å; A161-V172 HydrophobicContact CB-CG1 3.91Å; A161-V172 PolarHBondContact N-O 3.46Å; A161-V172 PolarHBondContact O-N 2.86Å; S170-V172 PolarHBondContact O-N 3.12Å; V172-T181 HydrophobicContact CB-CG2 4.45Å; V172-T181 HydrophobicContact CG1-CG2 3.83Å; V172-T181 HydrophobicContact CG2-CG2 3.71Å; V172-T181 WeakPolarHBondContact CG2-OG1 3.22Å; V172-T183 WeakPolarHBondContact CG1-OG1 3.31Å
173T93.9Very high92.4Very high48 Ų4855.2 Ų55.229%0.29431%0.306SS..EExtended strand (participates in β ladder)trans-109.6128.4173.8-55.10000109.2L158 R160 E175L158-T173 HydrophobicContact CD1-CG2 4.05Å; L158-T173 HydrophobicContact CD2-CG2 3.76Å; L158-T173 HydrophobicContact CG-CG2 3.83Å; R160-T173 HydrophobicContact CG-CG2 4.39Å; T173-E175 WeakPolarHBondContact CG2-OE1 3.37Å
174L91.6Very high92.4Very high2 Ų259 Ų591%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-100.6102.1171.9-17769.8000108R142 C159 Q178 W180 T181 L242R142-L174 HydrophobicContact CB-CD2 4.31Å; R142-L174 PolarHBondContact NH2-O 2.98Å; C159-L174 HydrophobicContact CB-CB 4.34Å; C159-L174 PolarHBondContact N-O 2.9Å; C159-L174 VanDerWaalsContact N-O 3.1Å; C159-L174 PolarHBondContact O-N 2.92Å; L174-Q178 HydrophobicContact CD1-CB 3.71Å; L174-W180 VanDerWaalsContact CD1-C 3.47Å; L174-T181 HydrophobicContact CB-CG2 4.07Å; L174-T181 HydrophobicContact CD1-CG2 3.87Å; L174-L242 HydrophobicContact CD2-CD2 4.03Å
175E90Very high92.5Very high65 Ų6555.8 Ų55.830%0.30431%0.307SS..  trans-66.8159.4-179.3-64.1-62.3151.100111.7R142 T173 H177 Q178R142-E175 PolarHBondContact NH2-O 3.4Å; R142-E175 VanDerWaalsContact NH2-O 3.13Å; T173-E175 WeakPolarHBondContact CG2-OE1 3.37Å; E175-H177 VanDerWaalsContact C-N 3.31Å; E175-H177 WeakPolarHBondContact CB-CE1 3.38Å; E175-H177 PolarHBondContact O-N 3.02Å; E175-Q178 HydrophobicContact CB-CB 4.34Å; E175-Q178 HydrophobicContact CB-CG 3.96Å; E175-Q178 WeakPolarHBondContact O-CB 3.35Å; E175-Q178 PolarHBondContact O-N 3.26Å
176P87Confident92.6Very high21 Ų2153.7 Ų53.714%0.13629%0.291CS..THydrogen-bonded Turntrans-54.5-42.3177.6-31.538.4000114.5E155 P156 Q178E155-P176 HydrophobicContact CG-CB 3.86Å; E155-P176 WeakPolarHBondContact OE1-CB 3.48Å; P156-P176 HydrophobicContact CG-CB 4.24Å; P156-P176 WeakPolarHBondContact CG-O 3.37Å; P156-P176 WeakPolarHBondContact O-CB 3.4Å; P156-P176 WeakPolarHBondContact O-CG 3.46Å; P176-Q178 VanDerWaalsContact C-N 3.25Å; P176-Q178 PolarHBondContact O-N 2.88Å
177H86.3Confident92.6Very high144 Ų14455.8 Ų55.867%0.66731%0.314SS*.THydrogen-bonded Turntrans-76-12.9179.664.6-84.4000113.4E175E175-H177 VanDerWaalsContact C-N 3.31Å; E175-H177 WeakPolarHBondContact CB-CE1 3.38Å; E175-H177 PolarHBondContact O-N 3.02Å
178Q89.7Confident92.6Very high63 Ų6357.5 Ų57.529%0.29432%0.316SS..  trans-88.4127.1179.9-69175.7-16.400110.4R142 L174 E175 P176R142-Q178 PolarHBondContact NE-O 2.73Å; L174-Q178 HydrophobicContact CD1-CB 3.71Å; E175-Q178 HydrophobicContact CB-CB 4.34Å; E175-Q178 HydrophobicContact CB-CG 3.96Å; E175-Q178 WeakPolarHBondContact O-CB 3.35Å; E175-Q178 PolarHBondContact O-N 3.26Å; P176-Q178 VanDerWaalsContact C-N 3.25Å; P176-Q178 PolarHBondContact O-N 2.88Å
179R90.7Very high92.7Very high151 Ų15153.6 Ų53.657%0.5728%0.283SS*.SBendtrans-83.5-24.3173.4-65.2-174.7-173178.40.3112.7R142R142-R179 WeakPolarHBondContact CB-O 3.11Å; R142-R179 PolarHBondContact N-O 2.86Å
180W94Very high92.7Very high60 Ų6050.5 Ų50.523%0.22726%0.261CS..EExtended strand (participates in β ladder)trans-154.3156.4-179.749.376.9000110.9Q69 F70 V139 H140 L141 L174Q69-W180 HydrophobicContact CB-CZ3 4.45Å; F70-W180 HydrophobicContact CB-CD2 4.38Å; F70-W180 HydrophobicContact CB-CE3 4.34Å; F70-W180 HydrophobicContact CD2-CB 4.32Å; F70-W180 AromaticContact CD2-CD1 3.48Å; F70-W180 VanDerWaalsContact CD2-CD1 3.48Å; F70-W180 AromaticContact CD2-CD2 3.75Å; F70-W180 HydrophobicContact CD2-CD2 3.75Å; F70-W180 AromaticContact CD2-CE2 3.78Å; F70-W180 AromaticContact CD2-CG 3.6Å; F70-W180 HydrophobicContact CD2-CG 3.6Å; F70-W180 AromaticContact CD2-NE1 3.58Å; F70-W180 AromaticContact CE2-CD1 3.64Å; F70-W180 HydrophobicContact CE2-CG 4.13Å; F70-W180 AromaticContact CE2-NE1 3.9Å; V139-W180 HydrophobicContact CG1-CB 4.41Å; H140-W180 CarbonylContact O-C 3.56Å; H140-W180 WeakPolarHBondContact O-CA 3.49Å; H140-W180 WeakPolarHBondContact O-CB 3.23Å; L141-W180 HydrophobicContact CD2-CB 4.03Å; L174-W180 VanDerWaalsContact CD1-C 3.47Å
181T94.8Very high92.5Very high24 Ų2452.7 Ų52.715%0.14728%0.28CS..EExtended strand (participates in β ladder)trans-144.4158.8169.3-167.30000109.7H140 V172 L174H140-T181 HydrophobicContact CB-CG2 3.85Å; H140-T181 PolarHBondContact CD2-O 2.76Å; H140-T181 PolarHBondContact N-O 3.03Å; H140-T181 PolarHBondContact O-N 3.4Å; V172-T181 HydrophobicContact CB-CG2 4.45Å; V172-T181 HydrophobicContact CG1-CG2 3.83Å; V172-T181 HydrophobicContact CG2-CG2 3.71Å; V172-T181 WeakPolarHBondContact CG2-OG1 3.22Å; L174-T181 HydrophobicContact CB-CG2 4.07Å; L174-T181 HydrophobicContact CD1-CG2 3.87Å
182E95.4Very high92.1Very high62 Ų6250 Ų5029%0.2926%0.264SS..EExtended strand (participates in β ladder)trans-118.2137.8-174-66.5174.8-142.600110.4F70 R135 F138 V139F70-E182 HydrophobicContact CZ-CG 4.31Å; F70-E182 WeakPolarHBondContact CZ-OE1 3.46Å; R135-E182 IonicContact NH2-OE2 3.78Å; F138-E182 WeakPolarHBondContact O-CA 3.44Å; V139-E182 HydrophobicContact CG2-CG 4.47Å
183T96.5Very high91.5Very high7 Ų750.3 Ų50.34%0.04327%0.265CS..EExtended strand (participates in β ladder)trans-114.2125.7169.8-62.60000109.2S137 F138 H140 I163 V172 I185S137-T183 CarbonylContact C-O 3.44Å; S137-T183 VanDerWaalsContact CA-O 3.28Å; S137-T183 WeakPolarHBondContact CA-O 3.38Å; F138-T183 PolarHBondContact N-O 3.46Å; F138-T183 PolarHBondContact O-N 3.22Å; H140-T183 PolarHBondContact NE2-OG1 2.99Å; I163-T183 HydrophobicContact CD1-CG2 4.05Å; V172-T183 WeakPolarHBondContact CG1-OG1 3.31Å; T183-I185 HydrophobicContact CG2-CG2 4.29Å; T183-I185 PolarHBondContact O-N 3.21Å
184D96Very high90.9Very high78 Ų7851.5 Ų51.542%0.41728%0.275SS..EExtended strand (participates in β ladder)trans-70.8121.3177-164.9-32.1000110.1R135 T186R135-D184 IonicContact CZ-OD2 3.35Å; R135-D184 IonicContact NH1-OD2 2.99Å; R135-D184 PolarHBondContact NH1-OD2 3.21Å; R135-D184 VanDerWaalsContact NH1-OD2 3.09Å; D184-T186 WeakPolarHBondContact OD1-CB 3.4Å; D184-T186 PolarHBondContact OD1-N 3.31Å; D184-T186 PolarHBondContact OD1-OG1 2.94Å
185I95.8Very high90.2Very high2 Ų257.2 Ų57.21%0.0130%0.302CS..  trans-123.817.8178.963.4166.7000111.9A136 F138 I163 L166 T183 A187 H188 V189 L207 L247A136-I185 HydrophobicContact CB-CG1 4.07Å; A136-I185 PolarHBondContact O-N 2.7Å; F138-I185 HydrophobicContact CB-CD1 4.08Å; F138-I185 HydrophobicContact CB-CG1 4.45Å; F138-I185 HydrophobicContact CB-CG2 4.01Å; F138-I185 HydrophobicContact CD2-CD1 4.4Å; I163-I185 HydrophobicContact CD1-CG2 3.47Å; I163-I185 VanDerWaalsContact CD1-CG2 3.47Å; L166-I185 HydrophobicContact CD2-CB 4.34Å; L166-I185 HydrophobicContact CD2-CG2 3.88Å; T183-I185 HydrophobicContact CG2-CG2 4.29Å; T183-I185 PolarHBondContact O-N 3.21Å; I185-A187 PolarHBondContact O-N 2.82Å; I185-H188 PolarHBondContact O-N 2.75Å; I185-H188 VanDerWaalsContact O-N 3.07Å; I185-V189 HydrophobicContact CD1-CG2 3.66Å; I185-V189 HydrophobicContact CG1-CG2 3.82Å; I185-V189 WeakPolarHBondContact O-CG2 3.34Å; I185-V189 PolarHBondContact O-N 2.93Å; I185-V189 VanDerWaalsContact O-N 3.08Å; I185-L207 HydrophobicContact CD1-CD1 3.83Å; I185-L247 HydrophobicContact CD1-CD1 3.44Å; I185-L247 VanDerWaalsContact CD1-CD1 3.44Å; I185-L247 HydrophobicContact CG1-CD1 4.29Å
186T94.3Very high89.4Confident26 Ų2655.9 Ų55.916%0.1630%0.296CS..Hα-helixtrans-52-52-171.9-55.80000112R135 A136 D184 H188 V189 S190R135-T186 WeakPolarHBondContact CA-OG1 3.44Å; A136-T186 PolarHBondContact N-OG1 2.81Å; A136-T186 PolarHBondContact O-N 3.15Å; A136-T186 PolarHBondContact O-OG1 2.83Å; D184-T186 WeakPolarHBondContact OD1-CB 3.4Å; D184-T186 PolarHBondContact OD1-N 3.31Å; D184-T186 PolarHBondContact OD1-OG1 2.94Å; T186-H188 VanDerWaalsContact C-N 3.27Å; T186-H188 PolarHBondContact O-N 3.45Å; T186-V189 PolarHBondContact O-N 3.46Å; T186-S190 WeakPolarHBondContact O-CB 3.47Å; T186-S190 PolarHBondContact O-N 2.94Å; T186-S190 PolarHBondContact O-OG 2.84Å; T186-S190 VanDerWaalsContact O-OG 3.07Å
187A92.5Very high88.4Confident84 Ų8463 Ų6369%0.69433%0.325SS*.Hα-helixtrans-59.3-37.1-178.300000113I185 A191I185-A187 PolarHBondContact O-N 2.82Å; A187-A191 WeakPolarHBondContact O-CB 3.38Å; A187-A191 PolarHBondContact O-N 3.07Å; A187-A191 VanDerWaalsContact O-N 3.11Å
188H92.1Very high87.2Confident61 Ų6163 Ų6328%0.28233%0.329SS..Hα-helixtrans-71.2-44.4-179.8-173.468.8000111.6L166 I185 T186 A191 H192L166-H188 HydrophobicContact CD1-CB 4.29Å; I185-H188 PolarHBondContact O-N 2.75Å; I185-H188 VanDerWaalsContact O-N 3.07Å; T186-H188 VanDerWaalsContact C-N 3.27Å; T186-H188 PolarHBondContact O-N 3.45Å; H188-A191 PolarHBondContact O-N 3.11Å; H188-H192 PolarHBondContact O-N 3.18Å; H188-H192 VanDerWaalsContact O-N 3.1Å
189V91.6Very high85.9Confident0 Ų066.6 Ų66.60%035%0.346CS..Hα-helixtrans-66.3-43.8177.8-179.30000111.1L133 A136 I185 T186 A191 H192 I193 L205L133-V189 HydrophobicContact CD2-CB 4.13Å; L133-V189 HydrophobicContact CD2-CG1 3.71Å; A136-V189 HydrophobicContact CB-CB 3.95Å; A136-V189 HydrophobicContact CB-CG1 4.28Å; A136-V189 HydrophobicContact CB-CG2 3.73Å; I185-V189 HydrophobicContact CD1-CG2 3.66Å; I185-V189 HydrophobicContact CG1-CG2 3.82Å; I185-V189 WeakPolarHBondContact O-CG2 3.34Å; I185-V189 PolarHBondContact O-N 2.93Å; I185-V189 VanDerWaalsContact O-N 3.08Å; T186-V189 PolarHBondContact O-N 3.46Å; V189-A191 VanDerWaalsContact C-N 3.33Å; V189-A191 PolarHBondContact O-N 2.91Å; V189-H192 PolarHBondContact O-N 3.41Å; V189-I193 HydrophobicContact CG1-CD1 3.74Å; V189-I193 HydrophobicContact CG1-CG1 4.38Å; V189-I193 WeakPolarHBondContact O-CG1 3.2Å; V189-I193 PolarHBondContact O-N 2.79Å; V189-L205 HydrophobicContact CG2-CD2 3.79Å
190S90.1Very high84.4Confident41 Ų4163 Ų6329%0.28736%0.356SS..Hα-helixtrans-60.7-40.9176.9-63.60000112.5T186 S194T186-S190 WeakPolarHBondContact O-CB 3.47Å; T186-S190 PolarHBondContact O-N 2.94Å; T186-S190 PolarHBondContact O-OG 2.84Å; T186-S190 VanDerWaalsContact O-OG 3.07Å; S190-S194 WeakPolarHBondContact O-CB 3.33Å; S190-S194 PolarHBondContact O-N 3.18Å; S190-S194 VanDerWaalsContact O-N 3.13Å; S190-S194 PolarHBondContact O-OG 3.03Å
191A88.6Confident82.6Confident47 Ų4767.1 Ų67.139%0.38838%0.378SS..Hα-helixtrans-64.4-43.2176.800000111.7A187 H188 V189 S194 Q195A187-A191 WeakPolarHBondContact O-CB 3.38Å; A187-A191 PolarHBondContact O-N 3.07Å; A187-A191 VanDerWaalsContact O-N 3.11Å; H188-A191 PolarHBondContact O-N 3.11Å; V189-A191 VanDerWaalsContact C-N 3.33Å; V189-A191 PolarHBondContact O-N 2.91Å; A191-S194 PolarHBondContact O-N 3.36Å; A191-Q195 WeakPolarHBondContact O-CG 3.35Å; A191-Q195 PolarHBondContact O-N 3.18Å; A191-Q195 VanDerWaalsContact O-N 3.11Å
192H87Confident80.8Confident37 Ų3773.2 Ų73.217%0.17141%0.405CS..Hα-helixtrans-63.7-47.9178.5-177.665.8000112.4H188 V189 S194 Q195 E196 H204 L205H188-H192 PolarHBondContact O-N 3.18Å; H188-H192 VanDerWaalsContact O-N 3.1Å; V189-H192 PolarHBondContact O-N 3.41Å; H192-S194 PolarHBondContact O-N 3.38Å; H192-Q195 PolarHBondContact O-N 3.35Å; H192-Q195 VanDerWaalsContact O-N 3.14Å; H192-E196 IonicContact CE1-OE1 3.01Å; H192-E196 PolarHBondContact CE1-OE1 3.37Å; H192-E196 IonicContact NE2-OE1 2.61Å; H192-E196 PolarHBondContact NE2-OE1 2.94Å; H192-E196 VanDerWaalsContact NE2-OE1 3.09Å; H192-E196 IonicContact NE2-OE2 3.74Å; H192-E196 PolarHBondContact O-N 2.76Å; H192-E196 VanDerWaalsContact O-N 3.1Å; H192-H204 PolarHBondContact NE2-O 2.93Å; H192-L205 HydrophobicContact CB-CD1 4.22Å; H192-L205 WeakPolarHBondContact NE2-CA 3.49Å; H192-L205 PolarHBondContact NE2-N 2.79Å
193I83.9Confident79.9Confident34 Ų3470.3 Ų70.317%0.17439%0.391CS..Hα-helixtrans-59.4-36176.6-66.5165.1000111.4V125 L128 L133 V189V125-I193 HydrophobicContact CG1-CD1 3.87Å; V125-I193 HydrophobicContact CG1-CG1 3.8Å; L128-I193 HydrophobicContact CD1-CD1 3.58Å; L133-I193 HydrophobicContact CD2-CD1 3.96Å; V189-I193 HydrophobicContact CG1-CD1 3.74Å; V189-I193 HydrophobicContact CG1-CG1 4.38Å; V189-I193 WeakPolarHBondContact O-CG1 3.2Å; V189-I193 PolarHBondContact O-N 2.79Å
194S80.8Confident79.4Confident73 Ų7371.7 Ų71.751%0.5140%0.397SS..Hα-helixtrans-70.2-37.2179.3-56.50000112.1S190 A191 H192S190-S194 WeakPolarHBondContact O-CB 3.33Å; S190-S194 PolarHBondContact O-N 3.18Å; S190-S194 VanDerWaalsContact O-N 3.13Å; S190-S194 PolarHBondContact O-OG 3.03Å; A191-S194 PolarHBondContact O-N 3.36Å; H192-S194 PolarHBondContact O-N 3.38Å
195Q77.9Confident79.2Confident122 Ų12268.1 Ų68.157%0.5738%0.378SS*.Hα-helixtrans-72.6-36.6179.3-73.9176.2-10.500113A191 H192 D198A191-Q195 WeakPolarHBondContact O-CG 3.35Å; A191-Q195 PolarHBondContact O-N 3.18Å; A191-Q195 VanDerWaalsContact O-N 3.11Å; H192-Q195 PolarHBondContact O-N 3.35Å; H192-Q195 VanDerWaalsContact O-N 3.14Å; Q195-D198 PolarHBondContact O-N 2.81Å
196E71.6Confident79.1Confident37 Ų3771.5 Ų71.517%0.17340%0.399CS..Hα-helixtrans-70.6-31.7-178.7-74.8-176.2155.500113.5H192 D198 Q199 G200 G203 H204H192-E196 IonicContact CE1-OE1 3.01Å; H192-E196 PolarHBondContact CE1-OE1 3.37Å; H192-E196 IonicContact NE2-OE1 2.61Å; H192-E196 PolarHBondContact NE2-OE1 2.94Å; H192-E196 VanDerWaalsContact NE2-OE1 3.09Å; H192-E196 IonicContact NE2-OE2 3.74Å; H192-E196 PolarHBondContact O-N 2.76Å; H192-E196 VanDerWaalsContact O-N 3.1Å; E196-D198 PolarHBondContact O-N 2.99Å; E196-D198 VanDerWaalsContact O-N 3.1Å; E196-Q199 PolarHBondContact O-N 2.68Å; E196-Q199 VanDerWaalsContact O-N 3.08Å; E196-G200 PolarHBondContact O-N 2.83Å; E196-G200 VanDerWaalsContact O-N 3.11Å; E196-G203 WeakPolarHBondContact OE1-CA 3.38Å; E196-G203 WeakPolarHBondContact OE2-CA 3.48Å; E196-H204 PolarHBondContact OE1-N 3.05Å
197K66.2Low79.2Confident170 Ų17070.3 Ų70.374%0.73939%0.391SS*.Hα-helixtrans-55-27.8172-80.7-174.8178.6-177.70112.5
198D61.3Low79.3Confident143 Ų14369.5 Ų69.577%0.76538%0.375SS*.Hα-helixtrans-89.7-20.1-178.6-64.2-22.9000113.3Q195 E196Q195-D198 PolarHBondContact O-N 2.81Å; E196-D198 PolarHBondContact O-N 2.99Å; E196-D198 VanDerWaalsContact O-N 3.1Å
199Q62.6Low79.5Confident139 Ų13966.6 Ų66.665%0.6536%0.361SS*.Hα-helixtrans-112.6-16-169.3-66.7-176.19.100115.1E196 E201E196-Q199 PolarHBondContact O-N 2.68Å; E196-Q199 VanDerWaalsContact O-N 3.08Å; Q199-E201 PolarHBondContact O-N 3.03Å; Q199-E201 VanDerWaalsContact O-N 3.16Å
200G58.4Low79.6Confident75 Ų7569.6 Ų69.677%0.77338%0.375SS*.  trans66.712.7173.600000115.5E196E196-G200 PolarHBondContact O-N 2.83Å; E196-G200 VanDerWaalsContact O-N 3.11Å
201E56.7Low79.7Confident147 Ų14767.8 Ų67.869%0.68736%0.362SS*.  trans-83.9157.8171.8-71.6-168.7155.500111.7Q199 G203Q199-E201 PolarHBondContact O-N 3.03Å; Q199-E201 VanDerWaalsContact O-N 3.16Å; E201-G203 PolarHBondContact O-N 3.03Å
202Q58Low79.8Confident153 Ų15369.9 Ų69.972%0.71536%0.36SS*.  trans-64122.8-176.5-71.1175.7-14.400111.5H204Q202-H204 WeakPolarHBondContact CB-ND1 3.18Å; Q202-H204 PolarHBondContact O-N 3.38Å; Q202-H204 PolarHBondContact O-ND1 3.12Å
203G75.3Confident79.9Confident0 Ų068.3 Ų68.30%035%0.353CS..  trans-72.777.1-166.800000116.1V125 D126 E196 E201V125-G203 PolarHBondContact N-O 2.91Å; D126-G203 VanDerWaalsContact CG-CA 3.41Å; D126-G203 PolarHBondContact N-O 3.42Å; D126-G203 WeakPolarHBondContact OD1-CA 3.29Å; D126-G203 PolarHBondContact OD1-N 3.31Å; D126-G203 PolarHBondContact OD2-N 3.37Å; E196-G203 WeakPolarHBondContact OE1-CA 3.38Å; E196-G203 WeakPolarHBondContact OE2-CA 3.48Å; E201-G203 PolarHBondContact O-N 3.03Å
204H87.4Confident79.8Confident36 Ų3668.5 Ų68.517%0.16736%0.36CS..EExtended strand (participates in β ladder)trans-113.3112.3-176.2-6685.1000111.6Q122 Y123 K124 H192 E196 Q202 T206Q122-H204 HydrophobicContact CG-CB 3.92Å; Q122-H204 PolarHBondContact NE2-CD2 2.03Å; Y123-H204 CarbonylContact O-C 3.54Å; Y123-H204 VanDerWaalsContact O-CA 3.29Å; Y123-H204 WeakPolarHBondContact O-CA 3.46Å; K124-H204 VanDerWaalsContact CE-NE2 3.33Å; K124-H204 WeakPolarHBondContact CE-NE2 3.11Å; H192-H204 PolarHBondContact NE2-O 2.93Å; E196-H204 PolarHBondContact OE1-N 3.05Å; Q202-H204 WeakPolarHBondContact CB-ND1 3.18Å; Q202-H204 PolarHBondContact O-N 3.38Å; Q202-H204 PolarHBondContact O-ND1 3.12Å; H204-T206 PolarHBondContact O-N 3.33Å
205L90.9Very high79.2Confident3 Ų370.2 Ų70.22%0.01636%0.36CS..EExtended strand (participates in β ladder)trans-83.7117.3173.5179.369.9000110.3Q122 Y123 V125 V189 H192 L207 L247Q122-L205 CarbonylContact C-O 3.58Å; Q122-L205 WeakPolarHBondContact CA-O 3.25Å; Y123-L205 PolarHBondContact N-O 2.86Å; Y123-L205 PolarHBondContact O-N 3.48Å; V125-L205 HydrophobicContact CG2-CB 3.67Å; V189-L205 HydrophobicContact CG2-CD2 3.79Å; H192-L205 HydrophobicContact CB-CD1 4.22Å; H192-L205 WeakPolarHBondContact NE2-CA 3.49Å; H192-L205 PolarHBondContact NE2-N 2.79Å; L205-L207 HydrophobicContact CD1-CD2 4.36Å; L205-L207 HydrophobicContact CD2-CD1 4.11Å; L205-L207 HydrophobicContact CD2-CG 4.37Å; L205-L207 HydrophobicContact CG-CD1 4.46Å; L205-L207 HydrophobicContact CG-CD2 4.48Å; L205-L207 HydrophobicContact CG-CG 4.18Å; L205-L247 HydrophobicContact CD2-CD2 4Å
206T93.8Very high78.3Confident74 Ų7467.6 Ų67.645%0.45435%0.353SS..EExtended strand (participates in β ladder)trans-104.4128.6175-55.70000110.9T120 V121 H204T120-T206 HydrophobicContact CG2-CG2 4.29Å; V121-T206 CarbonylContact O-C 3.47Å; V121-T206 WeakPolarHBondContact O-CA 3.47Å; H204-T206 PolarHBondContact O-N 3.33Å
207L95.8Very high77.3Confident1 Ų170.5 Ų70.51%0.00538%0.384CS..EExtended strand (participates in β ladder)trans-129146.2178.2-62.1174.2000110.9V121 Y123 F138 I163 I185 L205V121-L207 HydrophobicContact CG2-CB 4.03Å; V121-L207 WeakPolarHBondContact CG2-O 3.45Å; V121-L207 PolarHBondContact N-O 3.36Å; V121-L207 PolarHBondContact O-N 2.9Å; Y123-L207 HydrophobicContact CE2-CD1 4.24Å; F138-L207 HydrophobicContact CD2-CD1 3.62Å; F138-L207 HydrophobicContact CE2-CB 4.23Å; F138-L207 HydrophobicContact CE2-CD1 3.73Å; I163-L207 HydrophobicContact CG2-CD2 4.3Å; I185-L207 HydrophobicContact CD1-CD1 3.83Å; L205-L207 HydrophobicContact CD1-CD2 4.36Å; L205-L207 HydrophobicContact CD2-CD1 4.11Å; L205-L207 HydrophobicContact CD2-CG 4.37Å; L205-L207 HydrophobicContact CG-CD1 4.46Å; L205-L207 HydrophobicContact CG-CD2 4.48Å; L205-L207 HydrophobicContact CG-CG 4.18Å
208I96.1Very high76.4Confident66 Ų6670.4 Ų70.434%0.33839%0.391SS..EExtended strand (participates in β ladder)trans-117.5121.2173.9-56.8174000108.1T118 F119 T120 I163 T164T118-I208 HydrophobicContact CG2-CG2 3.73Å; F119-I208 CarbonylContact O-C 3.56Å; F119-I208 WeakPolarHBondContact O-CA 3.3Å; T120-I208 HydrophobicContact CG2-CG1 4.23Å; I163-I208 WeakPolarHBondContact CA-O 3.46Å; T164-I208 PolarHBondContact N-O 3.06Å; T164-I208 PolarHBondContact OG1-O 3.11Å
209A95.5Very high75.7Confident0 Ų066.8 Ų66.80%039%0.388CS..EExtended strand (participates in β ladder)trans-117.1123.5179.800000110.7T118 F119 F138 Q162 Y211T118-A209 WeakPolarHBondContact CA-O 3.32Å; F119-A209 PolarHBondContact N-O 3.46Å; F119-A209 PolarHBondContact O-N 2.99Å; F138-A209 HydrophobicContact CE1-CB 3.79Å; F138-A209 HydrophobicContact CZ-CB 3.88Å; Q162-A209 CarbonylContact O-C 3.52Å; Q162-A209 WeakPolarHBondContact O-CA 3.3Å; A209-Y211 HydrophobicContact CB-CE2 3.64Å
210Q94.1Very high74.6Confident64 Ų6467.8 Ų67.830%0.29940%0.397SS..EExtended strand (participates in β ladder)trans-100.7138176.4-67.3-177.3-19.700110Y117 T118 A161 Q162 W212Y117-Q210 CarbonylContact O-C 3.55Å; Y117-Q210 WeakPolarHBondContact O-CA 3.37Å; T118-Q210 HydrophobicContact CG2-CG 4.3Å; A161-Q210 CarbonylContact C-O 3.49Å; A161-Q210 VanDerWaalsContact CA-O 3.29Å; A161-Q210 WeakPolarHBondContact CA-O 3.44Å; Q162-Q210 PolarHBondContact N-O 2.82Å; Q162-Q210 PolarHBondContact O-N 3.02Å; Q210-W212 HydrophobicContact CB-CH2 3.69Å; Q210-W212 HydrophobicContact CB-CZ2 3.89Å; Q210-W212 HydrophobicContact CB-CZ3 4.23Å
211Y92.6Very high73.6Confident2 Ų268.8 Ų68.81%0.00840%0.399CS..EExtended strand (participates in β ladder)trans-128.6138.3179.6-61.5-104.7000110.5T116 Y117 F119 H140 R160 A161 A209 L242 P245T116-Y211 CarbonylContact C-O 3.59Å; T116-Y211 VanDerWaalsContact CA-O 3.26Å; T116-Y211 WeakPolarHBondContact CA-O 3.4Å; Y117-Y211 PolarHBondContact N-O 2.86Å; Y117-Y211 PolarHBondContact O-N 3.41Å; F119-Y211 AromaticContact CD2-CD2 3.74Å; F119-Y211 HydrophobicContact CD2-CD2 3.74Å; F119-Y211 AromaticContact CD2-CE2 3.49Å; F119-Y211 HydrophobicContact CD2-CE2 3.49Å; F119-Y211 VanDerWaalsContact CD2-CE2 3.49Å; F119-Y211 HydrophobicContact CE2-CD2 4.15Å; F119-Y211 HydrophobicContact CE2-CE2 4.07Å; F119-Y211 HydrophobicContact CG-CE2 4.48Å; H140-Y211 HydrophobicContact CB-CE1 4.25Å; H140-Y211 AromaticContact ND1-CE1 3.45Å; H140-Y211 WeakPolarHBondContact ND1-CE1 3.28Å; H140-Y211 AromaticContact ND1-CZ 3.4Å; H140-Y211 PolarHBondContact ND1-OH 2.95Å; R160-Y211 CarbonylContact O-C 3.59Å; R160-Y211 WeakPolarHBondContact O-CA 3.46Å; A161-Y211 HydrophobicContact CB-CD1 3.44Å; A161-Y211 VanDerWaalsContact CB-CD1 3.44Å; A161-Y211 HydrophobicContact CB-CE1 3.34Å; A161-Y211 HydrophobicContact CB-CG 4.22Å; A209-Y211 HydrophobicContact CB-CE2 3.64Å; Y211-L242 HydrophobicContact CD1-CD1 3.54Å; Y211-L242 HydrophobicContact CD2-CD1 4.41Å; Y211-L242 HydrophobicContact CE1-CD1 4.16Å; Y211-L242 HydrophobicContact CG-CD1 3.68Å; Y211-P245 HydrophobicContact CE2-CG 4.44Å; Y211-P245 WeakPolarHBondContact OH-CG 3.49Å
212W90.8Very high72.6Confident92 Ų9265.8 Ų65.835%0.34839%0.394SS..EExtended strand (participates in β ladder)trans-123.8112.6172.9-56.1-86.9000108.7C159 R160 Q162 Q210C159-W212 CarbonylContact C-O 3.53Å; C159-W212 WeakPolarHBondContact CA-O 3.45Å; R160-W212 HydrophobicContact CB-CE3 4.29Å; R160-W212 PolarHBondContact N-O 2.89Å; R160-W212 PolarHBondContact O-N 2.86Å; Q162-W212 HydrophobicContact CB-CH2 3.96Å; Q162-W212 HydrophobicContact CB-CZ3 3.7Å; Q210-W212 HydrophobicContact CB-CH2 3.69Å; Q210-W212 HydrophobicContact CB-CZ2 3.89Å; Q210-W212 HydrophobicContact CB-CZ3 4.23Å
213C87.9Confident71.7Confident4 Ų464.6 Ų64.63%0.02740%0.399CS..EExtended strand (participates in β ladder)trans-112.6124.2-179.7-58.80000110.3L115 P157 L158 C159L115-C213 HydrophobicContact CB-CB 4.31Å; L115-C213 PolarHBondContact N-O 3.34Å; L115-C213 PolarHBondContact O-N 3.22Å; P157-C213 HydrophobicContact CB-CB 4.31Å; P157-C213 HydrophobicContact CG-CB 4.17Å; L158-C213 VanDerWaalsContact O-CA 3.3Å; L158-C213 WeakPolarHBondContact O-CA 3.19Å; C159-C213 HydrophobicContact CB-CB 4.15Å; C159-C213 WeakPolarHBondContact CB-SG 3.4Å; C159-C213 WeakPolarHBondContact SG-CB 3.27Å; C159-C213 CovalentContact SG-SG 2.04Å; C159-C213 PolarHBondContact SG-SG 3.21Å
214A82.8Confident69.8Low37 Ų3769 Ų6931%0.30643%0.431SS..EExtended strand (participates in β ladder)trans-118.8145.5177.800000110.2P157 L158P157-A214 WeakPolarHBondContact CB-O 3.41Å; L158-A214 PolarHBondContact N-O 2.83Å; L158-A214 PolarHBondContact O-N 3Å
215E66.3Low67.4Low110 Ų11076 Ų7651%0.51446%0.455SS..PPolyproline II helixtrans-63144.2172.7-73-168.6144.500110.7A217 L236E215-A217 PolarHBondContact O-N 2.84Å; E215-A217 VanDerWaalsContact O-N 3.16Å; E215-L236 HydrophobicContact CG-CD1 3.35Å; E215-L236 WeakPolarHBondContact OE1-CD1 3.44Å
216P59Low64.6Low67 Ų6785.6 Ų85.644%0.43549%0.492SS..PPolyproline II helixtrans-57.8123.2168.424.8-30.8000108.3D218P216-D218 PolarHBondContact O-N 2.85Å; P216-D218 VanDerWaalsContact O-N 3.13Å
217A51.5Low61.6Low98 Ų9891.4 Ų91.481%0.8151%0.505SS*.PPolyproline II helixtrans-63.5116.8174.400000108.2E215 G219E215-A217 PolarHBondContact O-N 2.84Å; E215-A217 VanDerWaalsContact O-N 3.16Å; A217-G219 PolarHBondContact O-N 3.49Å
218D48.2Very low58.7Low167 Ų16795.6 Ų95.689%0.89353%0.531SS*.  trans-53.8100.7171.4-91.6-28.2000109.1P216 D220P216-D218 PolarHBondContact O-N 2.85Å; P216-D218 VanDerWaalsContact O-N 3.13Å; D218-D220 PolarHBondContact O-N 3.12Å; D218-D220 VanDerWaalsContact O-N 3.12Å
219G46.7Very low55.9Low68 Ų6897.4 Ų97.470%0.70155%0.547SS*.  trans-77.388.8168.100000108.6A217A217-G219 PolarHBondContact O-N 3.49Å
220D38.9Very low53.1Low159 Ų159106 Ų10685%0.8559%0.592SS**  trans172.680.5143.6-88.4-20.1000110.4D218 S222D218-D220 PolarHBondContact O-N 3.12Å; D218-D220 VanDerWaalsContact O-N 3.12Å; D220-S222 VanDerWaalsContact C-N 3.31Å; D220-S222 PolarHBondContact O-N 3.27Å
221A38Very low50.1Low97 Ų97114.3 Ų114.380%0.80262%0.621SS**  trans-77.882.7166.100000109.9
222S34.3Very low47.2Very low83 Ų83117.1 Ų117.158%0.5865%0.65SS**  trans-77.8133.7165-159.30000110D220 S224D220-S222 VanDerWaalsContact C-N 3.31Å; D220-S222 PolarHBondContact O-N 3.27Å; S222-S224 PolarHBondContact O-N 3.38Å
223P39.8Very low44.5Very low128 Ų128124.5 Ų124.583%0.83168%0.678SS**SBendtrans-88.258.8-159.535.6-36.6000113.8
224S35.3Very low42.2Very low94 Ų94135.4 Ų135.466%0.65772%0.719SS**  trans-133.721.6-177.871.90000116.7S222S222-S224 PolarHBondContact O-N 3.38Å
225W36.9Very low40.2Very low181 Ų181136.4 Ų136.469%0.68673%0.732SS**  trans-123.130.3-171.968.3-73.4000115.2W227W225-W227 PolarHBondContact O-N 2.94Å
226W31.7Very low39.3Very low206 Ų206133.4 Ų133.478%0.7872%0.719SS**THydrogen-bonded Turntrans-60.4-1.6168.157.4-42.9000115.6
227W30.7Very low38.7Very low196 Ų196136.2 Ų136.274%0.74274%0.741SS**THydrogen-bonded Turntrans-12659.1176.1-3988.3000111.9W225W225-W227 PolarHBondContact O-N 2.94Å
228T36.3Very low38.5Very low88 Ų88133.9 Ų133.954%0.5473%0.726SS.*SBendtrans-126.5131.5157.1350000109.3
229P36.3Very low38.7Very low105 Ų105134.1 Ų134.168%0.68272%0.722SS**  trans-62.5145.8179.9-619.9000109.3W231P229-W231 PolarHBondContact O-N 3.41Å
230L36Very low39.5Very low181 Ų181134.9 Ų134.995%0.94872%0.715SS**  trans-59.379.2166.6-96.481.7000109.8
231W31.5Very low41.3Very low238 Ų238129.8 Ų129.890%0.90269%0.686SS**  trans-112.989.6169-8750.9000107.7P229P229-W231 PolarHBondContact O-N 3.41Å
232G33.1Very low43.7Very low60 Ų60125.5 Ų125.562%0.61965%0.649SS**  trans64.592155.800000116.3R234G232-R234 PolarHBondContact O-N 3.21Å
233R34.1Very low46.3Very low247 Ų247123.9 Ų123.993%0.93263%0.632SS**  trans-52.8100.5137.6-84.9-171.6179.5-142.70.6105.6G235R233-G235 VanDerWaalsContact C-N 3.26Å; R233-G235 PolarHBondContact O-N 3.14Å
234R39.6Very low48.8Very low234 Ų234120.1 Ų120.188%0.88361%0.607SS**  trans-65.5100.2166.5-71.4-176.3-164.4-161.23.6104.1G232G232-R234 PolarHBondContact O-N 3.21Å
235G40.6Very low51.7Low57 Ų57115.6 Ų115.659%0.58858%0.576SS**  trans-53.2155.4166.200000108.6R233 S237R233-G235 VanDerWaalsContact C-N 3.26Å; R233-G235 PolarHBondContact O-N 3.14Å; G235-S237 PolarHBondContact O-N 3.4Å
236L47.3Very low54.5Low47 Ų47107 Ų10725%0.24654%0.543CS..  trans-57.582.2165.1-86.585000109L115 P157 E215L115-L236 HydrophobicContact CD1-CB 3.77Å; L115-L236 HydrophobicContact CD1-CD2 3.31Å; L115-L236 HydrophobicContact CD1-CG 4.12Å; L115-L236 HydrophobicContact CD2-CB 4.45Å; L115-L236 HydrophobicContact CG-CB 4.29Å; L115-L236 HydrophobicContact CG-CD2 4.26Å; P157-L236 HydrophobicContact CG-CD2 4.34Å; E215-L236 HydrophobicContact CG-CD1 3.35Å; E215-L236 WeakPolarHBondContact OE1-CD1 3.44Å
237S45.5Very low57.5Low127 Ų12797.2 Ų97.289%0.88851%0.506SS*.  trans-94.184.1161.3178.10000103.9G235G235-S237 PolarHBondContact O-N 3.4Å
238G47.7Very low60.6Low49 Ų4987.9 Ų87.951%0.50547%0.471SS..  trans-155.6143-174.700000109.8
239E53.4Low63.4Low171 Ų17183.8 Ų83.880%0.79945%0.445SS*.  trans-43154.2177-70.4175.8146.900113.5Q241E239-Q241 WeakPolarHBondContact O-CG 2.91Å; E239-Q241 PolarHBondContact O-N 3.33Å
240P61.4Low66.2Low84 Ų8479.4 Ų79.455%0.54542%0.415SS..  trans-52.5117.7178.520.5-32000111.4Y117 T143 L242Y117-P240 HydrophobicContact CE1-CB 4.47Å; T143-P240 PolarHBondContact OG1-O 3.48Å; P240-L242 VanDerWaalsContact C-N 3.27Å; P240-L242 PolarHBondContact O-N 3.05Å
241Q78.1Confident68.9Low53 Ų5370.8 Ų70.825%0.24837%0.37CS..  trans-86.3-0.8-176.1-59.3-174.5-4.400113.3R142 T143 E239R142-Q241 VanDerWaalsContact CG-O 3.27Å; R142-Q241 WeakPolarHBondContact CG-O 3.43Å; T143-Q241 PolarHBondContact N-O 2.84Å; T143-Q241 PolarHBondContact OG1-O 3.49Å; E239-Q241 WeakPolarHBondContact O-CG 2.91Å; E239-Q241 PolarHBondContact O-N 3.33Å
242L87.6Confident71.7Confident7 Ų762 Ų624%0.03734%0.34CS..EExtended strand (participates in β ladder)trans-118.3140.3178.4-64.7173.2000109.5Y117 F119 L141 T143 L174 Y211 P240Y117-L242 HydrophobicContact CD2-CD1 3.8Å; Y117-L242 HydrophobicContact CE2-CD1 4.16Å; Y117-L242 HydrophobicContact CG-CD1 4.32Å; F119-L242 HydrophobicContact CE2-CB 4.22Å; F119-L242 HydrophobicContact CZ-CB 4.3Å; L141-L242 WeakPolarHBondContact O-CA 3.48Å; T143-L242 PolarHBondContact OG1-N 3.13Å; L174-L242 HydrophobicContact CD2-CD2 4.03Å; Y211-L242 HydrophobicContact CD1-CD1 3.54Å; Y211-L242 HydrophobicContact CD2-CD1 4.41Å; Y211-L242 HydrophobicContact CE1-CD1 4.16Å; Y211-L242 HydrophobicContact CG-CD1 3.68Å; P240-L242 VanDerWaalsContact C-N 3.27Å; P240-L242 PolarHBondContact O-N 3.05Å
243E90Very high74.1Confident48 Ų4859.8 Ų59.822%0.22431%0.313CS..EExtended strand (participates in β ladder)trans-90.6159.4171.6-75-172.8-165.400111Q66 L141 P245Q66-E243 WeakPolarHBondContact CB-OE2 3.23Å; Q66-E243 WeakPolarHBondContact CG-OE1 3.33Å; L141-E243 HydrophobicContact CB-CB 3.91Å; L141-E243 PolarHBondContact O-N 3.36Å; E243-P245 WeakPolarHBondContact O-CD 3.44Å
244V92.4Very high75.9Confident49 Ų4956.6 Ų56.630%0.29731%0.309SS..EExtended strand (participates in β ladder)trans-59.4125.6175.4-172.40000109P101 F119 V121P101-V244 HydrophobicContact CG-CG1 3.55Å; F119-V244 HydrophobicContact CD1-CG2 4.5Å; F119-V244 HydrophobicContact CE1-CG2 4.18Å; V121-V244 HydrophobicContact CG1-CG1 3.61Å
245P95.2Very high77.1Confident0 Ų049.4 Ų49.40%028%0.281CS..EExtended strand (participates in β ladder)trans-62.4149.1-176.5-26.938000112.9Y123 F138 V139 Y211 E243Y123-P245 VanDerWaalsContact OH-C 3.32Å; Y123-P245 PolarHBondContact OH-O 3.16Å; F138-P245 HydrophobicContact CD1-CB 4.08Å; F138-P245 HydrophobicContact CE1-CB 3.27Å; F138-P245 HydrophobicContact CE1-CG 3.67Å; F138-P245 HydrophobicContact CE2-CB 3.97Å; F138-P245 HydrophobicContact CZ-CB 3.22Å; F138-P245 HydrophobicContact CZ-CG 3.71Å; V139-P245 WeakPolarHBondContact O-CA 3.43Å; V139-P245 WeakPolarHBondContact O-CB 3.38Å; Y211-P245 HydrophobicContact CE2-CG 4.44Å; Y211-P245 WeakPolarHBondContact OH-CG 3.49Å; E243-P245 WeakPolarHBondContact O-CD 3.44Å
246S95.3Very high77.8Confident1 Ų154.1 Ų54.11%0.00729%0.288CS..EExtended strand (participates in β ladder)trans-115.5156.1177.7-67.90000111.5N67 V139N67-S246 VanDerWaalsContact OD1-CB 3.28Å; N67-S246 WeakPolarHBondContact OD1-CB 3.39Å; N67-S246 PolarHBondContact OD1-OG 3Å; V139-S246 PolarHBondContact N-O 3.16Å; V139-S246 PolarHBondContact O-N 2.84Å
247L95.3Very high77.9Confident0 Ų057.2 Ų57.20%031%0.309CS..EExtended strand (participates in β ladder)trans-102.6123.7179.4176.863.7000109.4L99 Y123 V125 I185 L205 L249L99-L247 HydrophobicContact CB-CB 4.22Å; L99-L247 HydrophobicContact CD1-CD2 4.24Å; L99-L247 PolarHBondContact N-O 3.18Å; L99-L247 PolarHBondContact O-N 3.5Å; Y123-L247 HydrophobicContact CD1-CB 3.69Å; Y123-L247 HydrophobicContact CD1-CD2 4.38Å; Y123-L247 HydrophobicContact CD2-CB 4.22Å; Y123-L247 HydrophobicContact CD2-CD2 4.11Å; Y123-L247 HydrophobicContact CE1-CB 3.66Å; Y123-L247 HydrophobicContact CE2-CB 4.18Å; Y123-L247 HydrophobicContact CG-CB 3.98Å; Y123-L247 HydrophobicContact CG-CD2 3.9Å; V125-L247 HydrophobicContact CG2-CD2 4.49Å; I185-L247 HydrophobicContact CD1-CD1 3.44Å; I185-L247 VanDerWaalsContact CD1-CD1 3.44Å; I185-L247 HydrophobicContact CG1-CD1 4.29Å; L205-L247 HydrophobicContact CD2-CD2 4Å; L247-L249 HydrophobicContact CD1-CD2 4.15Å; L247-L249 HydrophobicContact CD2-CD2 4.07Å; L247-L249 HydrophobicContact CG-CD2 3.88Å; L247-L249 HydrophobicContact CG-CG 4.32Å
248L96Very high78Confident0 Ų058.5 Ų58.50%030%0.298CS..EExtended strand (participates in β ladder)trans-104.6124.2177.6-165.770.8000109.7F70 M71 L74 V96 L98 A136 S137 V139 Y250F70-L248 HydrophobicContact CE1-CD1 3.99Å; F70-L248 HydrophobicContact CE1-CD2 3.76Å; F70-L248 HydrophobicContact CE1-CG 4.43Å; F70-L248 HydrophobicContact CZ-CD2 3.88Å; M71-L248 HydrophobicContact SD-CD1 3.78Å; L74-L248 HydrophobicContact CD1-CD1 4.23Å; L74-L248 HydrophobicContact CD1-CD2 3.99Å; V96-L248 HydrophobicContact CG1-CD1 3.56Å; V96-L248 HydrophobicContact CG1-CD2 4.11Å; V96-L248 HydrophobicContact CG1-CG 3.75Å; L98-L248 HydrophobicContact CB-CD1 4.12Å; A136-L248 CarbonylContact C-O 3.59Å; A136-L248 WeakPolarHBondContact CA-O 3.42Å; S137-L248 PolarHBondContact N-O 3.4Å; S137-L248 PolarHBondContact O-N 3.02Å; V139-L248 HydrophobicContact CG2-CB 3.76Å; V139-L248 HydrophobicContact CG2-CD2 4.49Å; L248-Y250 HydrophobicContact CD2-CE2 3.67Å; L248-Y250 VanDerWaalsContact CD2-OH 3.23Å; L248-Y250 WeakPolarHBondContact CD2-OH 3.4Å; L248-Y250 HydrophobicContact CG-CE2 4.07Å
249L94.6Very high78.4Confident1 Ų160.8 Ų60.81%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-114.4126.1179.6-57.2-178.1000109.8V96 R97 L99 L128 L133 A136 L247 L251V96-L249 CarbonylContact C-O 3.54Å; V96-L249 VanDerWaalsContact CA-O 3.29Å; V96-L249 WeakPolarHBondContact CA-O 3.23Å; R97-L249 PolarHBondContact N-O 3.15Å; R97-L249 PolarHBondContact O-N 3.46Å; L99-L249 HydrophobicContact CD1-CD1 3.51Å; L99-L249 HydrophobicContact CD1-CG 4.2Å; L99-L249 HydrophobicContact CG-CD1 4.21Å; L128-L249 HydrophobicContact CD1-CD1 4.19Å; L128-L249 HydrophobicContact CD2-CD1 4.14Å; L133-L249 HydrophobicContact CD1-CB 4.42Å; L133-L249 HydrophobicContact CD1-CD2 4.1Å; A136-L249 HydrophobicContact CB-CD2 3.84Å; L247-L249 HydrophobicContact CD1-CD2 4.15Å; L247-L249 HydrophobicContact CD2-CD2 4.07Å; L247-L249 HydrophobicContact CG-CD2 3.88Å; L247-L249 HydrophobicContact CG-CG 4.32Å; L249-L251 HydrophobicContact CB-CD1 4.08Å; L249-L251 HydrophobicContact CB-CD2 4.03Å; L249-L251 HydrophobicContact CB-CG 3.94Å
250Y95Very high78.6Confident13 Ų1354.8 Ų54.85%0.05127%0.266CS..EExtended strand (participates in β ladder)trans-98.7115.9170.8-60.7-97.8000107.5F91 V96 V134 R135 L248F91-Y250 HydrophobicContact CB-CD1 3.65Å; F91-Y250 HydrophobicContact CB-CE1 3.74Å; F91-Y250 HydrophobicContact CD1-CE1 4.06Å; F91-Y250 HydrophobicContact CG-CD1 4.28Å; F91-Y250 AromaticContact CG-CE1 3.93Å; F91-Y250 HydrophobicContact CG-CE1 3.93Å; V96-Y250 HydrophobicContact CB-CD1 4.41Å; V96-Y250 HydrophobicContact CG1-CD1 4.1Å; V96-Y250 HydrophobicContact CG1-CE1 3.98Å; V96-Y250 HydrophobicContact CG2-CD1 3.52Å; V96-Y250 HydrophobicContact CG2-CE1 3.79Å; V96-Y250 HydrophobicContact CG2-CG 4.42Å; V134-Y250 WeakPolarHBondContact CB-O 3.17Å; V134-Y250 PolarHBondContact N-O 3.18Å; R135-Y250 HydrophobicContact CB-CD2 3.74Å; R135-Y250 HydrophobicContact CB-CG 4.05Å; R135-Y250 HydrophobicContact CG-CD2 3.73Å; R135-Y250 HydrophobicContact CG-CE2 4.12Å; R135-Y250 HydrophobicContact CG-CG 4.46Å; R135-Y250 PolarHBondContact N-O 2.78Å; R135-Y250 WeakPolarHBondContact O-CB 3.2Å; R135-Y250 WeakPolarHBondContact O-CD2 3.24Å; R135-Y250 PolarHBondContact O-N 2.95Å; L248-Y250 HydrophobicContact CD2-CE2 3.67Å; L248-Y250 VanDerWaalsContact CD2-OH 3.23Å; L248-Y250 WeakPolarHBondContact CD2-OH 3.4Å; L248-Y250 HydrophobicContact CG-CE2 4.07Å
251L92.1Very high78.5Confident0 Ų053 Ų530%025%0.251CS..EExtended strand (participates in β ladder)trans-126.6135.1-165.2-58.8170.4000109.5S93 N94 T95 R97 L128 E131 Q132 L133 L249S93-L251 WeakPolarHBondContact CB-O 3.49Å; N94-L251 PolarHBondContact OD1-O 3.45Å; T95-L251 HydrophobicContact CG2-CB 4.41Å; T95-L251 HydrophobicContact CG2-CD1 4.49Å; T95-L251 PolarHBondContact N-O 3.11Å; T95-L251 PolarHBondContact O-N 3.09Å; R97-L251 HydrophobicContact CB-CD1 4.1Å; L128-L251 HydrophobicContact CD2-CD1 3.77Å; L128-L251 HydrophobicContact CD2-CD2 3.75Å; L128-L251 HydrophobicContact CD2-CG 4.43Å; E131-L251 HydrophobicContact CB-CB 4.43Å; E131-L251 HydrophobicContact CB-CD2 4.47Å; E131-L251 WeakPolarHBondContact OE2-CD1 3.47Å; Q132-L251 CarbonylContact O-C 3.54Å; Q132-L251 WeakPolarHBondContact O-CA 3.42Å; L133-L251 HydrophobicContact CB-CD2 4.41Å; L133-L251 HydrophobicContact CD1-CD2 3.8Å; L249-L251 HydrophobicContact CB-CD1 4.08Å; L249-L251 HydrophobicContact CB-CD2 4.03Å; L249-L251 HydrophobicContact CB-CG 3.94Å
252E90.8Very high77.6Confident55 Ų5550.6 Ų50.626%0.25724%0.24SC..EExtended strand (participates in β ladder)trans-94.1108.3165.5-170.562.2-14900108.1R89 N94 Q132 V134R89-E252 IonicContact CZ-OE1 3.7Å; R89-E252 IonicContact NH1-OE1 2.94Å; R89-E252 PolarHBondContact NH1-OE1 3.19Å; R89-E252 IonicContact NH1-OE2 3.9Å; R89-E252 PolarHBondContact NH1-OE2 3.5Å; R89-E252 IonicContact NH2-OE1 3.47Å; N94-E252 PolarHBondContact N-OE2 2.83Å; N94-E252 WeakPolarHBondContact OD1-CA 3.35Å; Q132-E252 HydrophobicContact CB-CB 4.26Å; Q132-E252 PolarHBondContact N-O 3.12Å; Q132-E252 PolarHBondContact O-N 3.4Å; V134-E252 HydrophobicContact CG2-CB 3.96Å
253E83.9Confident76.1Confident12 Ų1253.7 Ų53.76%0.05626%0.257CS..EExtended strand (participates in β ladder)trans-101.9110.6-175.3-173.9168.7-164.300109.2N94 T95 E131 R255 R424N94-E253 PolarHBondContact ND2-O 2.75Å; N94-E253 PolarHBondContact OD1-N 2.71Å; T95-E253 PolarHBondContact OG1-OE2 2.86Å; E131-E253 HydrophobicContact CG-CB 4.35Å; E131-E253 HydrophobicContact CG-CG 4.08Å; E253-R255 HydrophobicContact CG-CG 3.78Å; E253-R255 PolarHBondContact O-N 3.48Å; E253-R255 IonicContact OE1-CZ 4Å; E253-R255 IonicContact OE1-NE 3.51Å; E253-R255 PolarHBondContact OE1-NE 2.86Å; E253-R255 IonicContact OE1-NH1 2.66Å; E253-R255 IonicContact OE1-NH2 3.8Å; E253-R255 PolarHBondContact OE1-NH2 2.89Å; E253-R424 IonicContact OE1-CZ 2.76Å; E253-R424 IonicContact OE1-NH1 2.78Å; E253-R424 PolarHBondContact OE1-NH1 2.95Å; E253-R424 IonicContact OE1-NH2 2.76Å; E253-R424 IonicContact OE2-CZ 3.7Å; E253-R424 IonicContact OE2-NH1 2.68Å; E253-R424 PolarHBondContact OE2-NH1 2.92Å; E253-R424 IonicContact OE2-NH2 3.72Å
254E72.4Confident74.4Confident181 Ų18151.9 Ų51.985%0.84625%0.249SC*.  trans-91.996.3179.5-151.5174-158.200107.4
255R63.4Low72.7Confident82 Ų8249.7 Ų49.731%0.30924%0.236SC..  trans-132.9146.2-176.8-74.3-168.6-167.3-16210.4113.7E131 E253 D263E131-R255 IonicContact OE1-NH2 3.09Å; E253-R255 HydrophobicContact CG-CG 3.78Å; E253-R255 PolarHBondContact O-N 3.48Å; E253-R255 IonicContact OE1-CZ 4Å; E253-R255 IonicContact OE1-NE 3.51Å; E253-R255 PolarHBondContact OE1-NE 2.86Å; E253-R255 IonicContact OE1-NH1 2.66Å; E253-R255 IonicContact OE1-NH2 3.8Å; E253-R255 PolarHBondContact OE1-NH2 2.89Å; R255-D263 IonicContact CZ-OD2 2.79Å; R255-D263 IonicContact NH1-OD2 2.8Å; R255-D263 PolarHBondContact NH1-OD2 2.82Å
256E56.1Low71.1Confident157 Ų15750.2 Ų50.273%0.73424%0.241SC*.  trans-74.8136170.4-67.1-171.1171.200111K258 E259E256-K258 PolarHBondContact O-N 3.02Å; E256-E259 PolarHBondContact O-N 2.93Å
257V50.1Low69.2Low111 Ų11153.4 Ų53.467%0.67327%0.267SS*.Hα-helixtrans-51.5-26.9-175178.70000114.2
258K46.8Very low67.3Low154 Ų15458.9 Ų58.967%0.6729%0.293SS*.Hα-helixtrans-72.1-26.2-179.7-79-176176.1-179.60114.2E256E256-K258 PolarHBondContact O-N 3.02Å
259E55.6Low65.5Low98 Ų9858.9 Ų58.946%0.45829%0.293SS..Hα-helixtrans-82.5-32.6-173.1-157.5171.8-158.400111.6E256 M261 G262 D263E256-E259 PolarHBondContact O-N 2.93Å; E259-M261 PolarHBondContact O-N 3.13Å; E259-G262 PolarHBondContact O-N 2.86Å; E259-D263 WeakPolarHBondContact O-CB 3.42Å; E259-D263 PolarHBondContact O-N 2.88Å
260W58.7Low63.8Low44 Ų4462.5 Ų62.517%0.16731%0.31CS..Hα-helixtrans-62-42.5-175.2170.874.3000113.9L264 F355 L426 M429W260-L264 HydrophobicContact CH2-CD2 4.31Å; W260-L264 HydrophobicContact CZ2-CD2 3.5Å; W260-L264 VanDerWaalsContact CZ2-CD2 3.5Å; W260-L264 HydrophobicContact CZ2-CG 4.45Å; W260-L264 WeakPolarHBondContact O-CB 3.38Å; W260-L264 PolarHBondContact O-N 3.47Å; W260-F355 HydrophobicContact CH2-CZ 4.23Å; W260-F355 HydrophobicContact CZ2-CE1 4.45Å; W260-F355 HydrophobicContact CZ2-CZ 4.06Å; W260-L426 HydrophobicContact CD2-CD1 4.47Å; W260-L426 HydrophobicContact CD2-CD2 4.11Å; W260-L426 HydrophobicContact CG-CD2 4.31Å; W260-L426 HydrophobicContact CH2-CD1 3.54Å; W260-L426 HydrophobicContact CZ2-CD1 3.07Å; W260-L426 HydrophobicContact CZ2-CD2 4.02Å; W260-L426 HydrophobicContact CZ2-CG 4.15Å; W260-L426 HydrophobicContact CZ3-CD1 4.38Å; W260-L426 VanDerWaalsContact NE1-CD2 3.33Å; W260-M429 HydrophobicContact CH2-CE 4.13Å; W260-M429 HydrophobicContact CH2-SD 4.3Å; W260-M429 HydrophobicContact CZ3-CE 4.46Å; W260-M429 HydrophobicContact CZ3-SD 4.18Å
261M58.2Low62.1Low46 Ų4666.5 Ų66.523%0.22733%0.332CS..Hα-helixtrans-71.8-30.6179.1-79-178.670.600113.3E259 L265 M273 W278E259-M261 PolarHBondContact O-N 3.13Å; M261-L265 HydrophobicContact CB-CD1 4.49Å; M261-L265 HydrophobicContact CE-CD1 4.42Å; M261-L265 VanDerWaalsContact O-CB 3.24Å; M261-L265 WeakPolarHBondContact O-CB 3.29Å; M261-L265 WeakPolarHBondContact O-CD1 3.38Å; M261-L265 WeakPolarHBondContact O-CG 3.4Å; M261-M273 HydrophobicContact CB-CE 3.75Å; M261-M273 HydrophobicContact CB-SD 4.5Å; M261-M273 HydrophobicContact CE-CE 3.77Å; M261-M273 HydrophobicContact CE-CG 4.23Å; M261-M273 HydrophobicContact CE-SD 3.27Å; M261-M273 WeakPolarHBondContact CE-SD 3.45Å; M261-M273 HydrophobicContact CG-CE 4.34Å; M261-M273 HydrophobicContact SD-CE 3.7Å; M261-M273 HydrophobicContact SD-SD 4.03Å; M261-W278 HydrophobicContact SD-CZ3 4.09Å
262G59.5Low60.6Low3 Ų369 Ų693%0.03135%0.345CS..Hα-helixtrans-70.7-45.8174.700000111.3E259 G266E259-G262 PolarHBondContact O-N 2.86Å; G262-G266 WeakPolarHBondContact O-CA 3.09Å; G262-G266 PolarHBondContact O-N 3.4Å
263D56.5Low59.2Low73 Ų7366.5 Ų66.539%0.3933%0.333SS..Hα-helixtrans-71.2-42.9-177.9-80.5-5.1000113.4R255 E259 L265 Y417R255-D263 IonicContact CZ-OD2 2.79Å; R255-D263 IonicContact NH1-OD2 2.8Å; R255-D263 PolarHBondContact NH1-OD2 2.82Å; E259-D263 WeakPolarHBondContact O-CB 3.42Å; E259-D263 PolarHBondContact O-N 2.88Å; D263-L265 VanDerWaalsContact C-N 3.31Å; D263-L265 PolarHBondContact O-N 3.16Å; D263-Y417 VanDerWaalsContact O-CE2 3.3Å; D263-Y417 WeakPolarHBondContact O-CE2 3.42Å
264L54.6Low58.2Low10 Ų1073.5 Ų73.55%0.05236%0.359CS..Hα-helixtrans-67.2-35.4-177.4-164.790.8000112W260 Y354 F355 V415W260-L264 HydrophobicContact CH2-CD2 4.31Å; W260-L264 HydrophobicContact CZ2-CD2 3.5Å; W260-L264 VanDerWaalsContact CZ2-CD2 3.5Å; W260-L264 HydrophobicContact CZ2-CG 4.45Å; W260-L264 WeakPolarHBondContact O-CB 3.38Å; W260-L264 PolarHBondContact O-N 3.47Å; L264-Y354 VanDerWaalsContact O-CD1 3.25Å; L264-Y354 WeakPolarHBondContact O-CD1 3.42Å; L264-Y354 WeakPolarHBondContact O-CE1 3.23Å; L264-F355 HydrophobicContact CD2-CE1 4.01Å; L264-F355 HydrophobicContact CD2-CE2 3.65Å; L264-F355 HydrophobicContact CD2-CZ 3.27Å; L264-V415 HydrophobicContact CD1-CB 4.05Å; L264-V415 HydrophobicContact CD1-CG1 3.98Å; L264-V415 HydrophobicContact CD1-CG2 3.84Å; L264-V415 HydrophobicContact CD2-CG1 4.36Å
265L57.2Low57.6Low3 Ų372.9 Ų72.92%0.01636%0.356CS..Hα-helixtrans-102.9-4.8-170.7-52.1-178.3000112.9M261 D263 G269 L351 Y354 F355M261-L265 HydrophobicContact CB-CD1 4.49Å; M261-L265 HydrophobicContact CE-CD1 4.42Å; M261-L265 VanDerWaalsContact O-CB 3.24Å; M261-L265 WeakPolarHBondContact O-CB 3.29Å; M261-L265 WeakPolarHBondContact O-CD1 3.38Å; M261-L265 WeakPolarHBondContact O-CG 3.4Å; D263-L265 VanDerWaalsContact C-N 3.31Å; D263-L265 PolarHBondContact O-N 3.16Å; L265-G269 PolarHBondContact O-N 3.24Å; L265-L351 HydrophobicContact CB-CD2 4.48Å; L265-L351 HydrophobicContact CD1-CD1 3.55Å; L265-L351 HydrophobicContact CD1-CD2 3.71Å; L265-L351 HydrophobicContact CD1-CG 4.21Å; L265-L351 HydrophobicContact CD2-CB 4.07Å; L265-L351 HydrophobicContact CD2-CD1 3.75Å; L265-L351 HydrophobicContact CD2-CD2 3.77Å; L265-L351 HydrophobicContact CD2-CG 4.01Å; L265-L351 HydrophobicContact CG-CD1 4.27Å; L265-L351 HydrophobicContact CG-CD2 4.15Å; L265-Y354 HydrophobicContact CB-CE2 4.26Å; L265-Y354 HydrophobicContact CD2-CD2 3.76Å; L265-Y354 HydrophobicContact CD2-CE2 4.24Å; L265-Y354 HydrophobicContact CD2-CG 4.36Å; L265-Y354 PolarHBondContact O-OH 3.13Å; L265-F355 HydrophobicContact CD2-CE2 4.36Å
266G60.6Low57.5Low11 Ų1173.1 Ų73.111%0.11337%0.367CS..Hα-helixtrans53.4-150.3-177.100000113G262 E268 G269 E270G262-G266 WeakPolarHBondContact O-CA 3.09Å; G262-G266 PolarHBondContact O-N 3.4Å; G266-E268 PolarHBondContact O-N 2.83Å; G266-E268 VanDerWaalsContact O-N 3.14Å; G266-G269 PolarHBondContact O-N 3.33Å; G266-E270 PolarHBondContact O-N 2.79Å
267A56.1Low57.4Low67 Ų6767.5 Ų67.555%0.55435%0.351SS*.Hα-helixtrans-59-27.3-17800000114.2N271A267-N271 PolarHBondContact O-N 2.66Å; A267-N271 VanDerWaalsContact O-N 3.12Å; A267-N271 PolarHBondContact O-ND2 3.1Å
268E55.2Low57Low116 Ų11670.1 Ų70.154%0.54235%0.349SS..Hα-helixtrans-73.6-42.8177.8-75.2-178.615600112.2G266 N271 L272 H353G266-E268 PolarHBondContact O-N 2.83Å; G266-E268 VanDerWaalsContact O-N 3.14Å; E268-N271 PolarHBondContact O-N 3.45Å; E268-L272 PolarHBondContact O-N 3.04Å; E268-H353 IonicContact OE2-CE1 3.9Å; E268-H353 PolarHBondContact OE2-CE1 2.97Å; E268-H353 IonicContact OE2-NE2 3.09Å; E268-H353 PolarHBondContact OE2-NE2 2.85Å
269G57.4Low57Low0 Ų068.1 Ų68.10%034%0.337CS..Hα-helixtrans-73.6-30.917400000113.1L265 G266 N271 L272 M273L265-G269 PolarHBondContact O-N 3.24Å; G266-G269 PolarHBondContact O-N 3.33Å; G269-N271 VanDerWaalsContact C-N 3.26Å; G269-N271 PolarHBondContact O-N 3.06Å; G269-L272 PolarHBondContact O-N 2.84Å; G269-M273 WeakPolarHBondContact O-CB 3.41Å; G269-M273 WeakPolarHBondContact O-CG 3.35Å; G269-M273 PolarHBondContact O-N 2.8Å
270E59.5Low56.2Low76 Ų7671.6 Ų71.636%0.35535%0.353SS..Hα-helixtrans-57.5-41.9168-75.4-172.9160.200111.4G266 M273 R274G266-E270 PolarHBondContact O-N 2.79Å; E270-M273 PolarHBondContact O-N 2.94Å; E270-R274 WeakPolarHBondContact O-CB 3.39Å; E270-R274 VanDerWaalsContact O-CG 3.24Å; E270-R274 WeakPolarHBondContact O-CG 3.46Å; E270-R274 PolarHBondContact O-N 3.01Å
271N59.7Low55.2Low97 Ų9777 Ų7752%0.51938%0.381SS..Hα-helixtrans-66.8-42.7176-78-30.6000112.7A267 E268 G269 M273 R274 Q275A267-N271 PolarHBondContact O-N 2.66Å; A267-N271 VanDerWaalsContact O-N 3.12Å; A267-N271 PolarHBondContact O-ND2 3.1Å; E268-N271 PolarHBondContact O-N 3.45Å; G269-N271 VanDerWaalsContact C-N 3.26Å; G269-N271 PolarHBondContact O-N 3.06Å; N271-M273 VanDerWaalsContact C-N 3.3Å; N271-M273 PolarHBondContact O-N 3.28Å; N271-R274 PolarHBondContact O-N 2.88Å; N271-Q275 WeakPolarHBondContact O-CB 3.27Å; N271-Q275 PolarHBondContact O-N 2.8Å
272L59.9Low54Low52 Ų5280.9 Ų80.927%0.27241%0.409SS..Hα-helixtrans-59.1-44.2173.7-179.166000110.8E268 G269 Q275 V276 L351E268-L272 PolarHBondContact O-N 3.04Å; G269-L272 PolarHBondContact O-N 2.84Å; L272-Q275 WeakPolarHBondContact O-CB 3.45Å; L272-Q275 PolarHBondContact O-N 2.7Å; L272-Q275 VanDerWaalsContact O-N 3.16Å; L272-V276 WeakPolarHBondContact O-CG2 3.38Å; L272-V276 PolarHBondContact O-N 3.01Å; L272-L351 HydrophobicContact CD2-CD2 4.39Å
273M61.7Low52.6Low4 Ų486.2 Ų86.22%0.0244%0.441CS..Hα-helixtrans-70.3-32.4-178.4-68.5-72.2-91.300113M261 G269 E270 N271 V276 G277 W278 W279M261-M273 HydrophobicContact CB-CE 3.75Å; M261-M273 HydrophobicContact CB-SD 4.5Å; M261-M273 HydrophobicContact CE-CE 3.77Å; M261-M273 HydrophobicContact CE-CG 4.23Å; M261-M273 HydrophobicContact CE-SD 3.27Å; M261-M273 WeakPolarHBondContact CE-SD 3.45Å; M261-M273 HydrophobicContact CG-CE 4.34Å; M261-M273 HydrophobicContact SD-CE 3.7Å; M261-M273 HydrophobicContact SD-SD 4.03Å; G269-M273 WeakPolarHBondContact O-CB 3.41Å; G269-M273 WeakPolarHBondContact O-CG 3.35Å; G269-M273 PolarHBondContact O-N 2.8Å; E270-M273 PolarHBondContact O-N 2.94Å; N271-M273 VanDerWaalsContact C-N 3.3Å; N271-M273 PolarHBondContact O-N 3.28Å; M273-V276 HydrophobicContact SD-CG2 4.37Å; M273-G277 PolarHBondContact O-N 3.37Å; M273-W278 HydrophobicContact CE-CB 4.35Å; M273-W278 HydrophobicContact CE-CD2 4.12Å; M273-W278 HydrophobicContact CE-CE3 3.21Å; M273-W278 HydrophobicContact CE-CZ3 3.74Å; M273-W278 PolarHBondContact O-N 3.39Å; M273-W278 VanDerWaalsContact O-N 3.12Å; M273-W278 HydrophobicContact SD-CB 4.49Å; M273-W278 HydrophobicContact SD-CD2 4.46Å; M273-W278 HydrophobicContact SD-CE3 4Å; M273-W279 VanDerWaalsContact CB-CD1 3.45Å; M273-W279 HydrophobicContact CB-CG 4.48Å
274R63.4Low51.7Low159 Ų15990 Ų9060%0.646%0.46SS*.Hα-helixtrans-67.1-41.6167.3-75.3174.7-173.3-138.65.7111.6E270 N271 V276 G277 W279E270-R274 WeakPolarHBondContact O-CB 3.39Å; E270-R274 VanDerWaalsContact O-CG 3.24Å; E270-R274 WeakPolarHBondContact O-CG 3.46Å; E270-R274 PolarHBondContact O-N 3.01Å; N271-R274 PolarHBondContact O-N 2.88Å; R274-V276 VanDerWaalsContact C-N 3.34Å; R274-V276 PolarHBondContact O-N 3.15Å; R274-G277 PolarHBondContact O-N 3.45Å; R274-W279 HydrophobicContact CG-CB 4.46Å
275Q59.9Low50.6Low167 Ų167100.8 Ų100.878%0.7850%0.5SS*.Hα-helixtrans-63.2-36.7177.6-96.5-178.3-30.400113.1N271 L272 G277N271-Q275 WeakPolarHBondContact O-CB 3.27Å; N271-Q275 PolarHBondContact O-N 2.8Å; L272-Q275 WeakPolarHBondContact O-CB 3.45Å; L272-Q275 PolarHBondContact O-N 2.7Å; L272-Q275 VanDerWaalsContact O-N 3.16Å; Q275-G277 VanDerWaalsContact C-N 3.28Å; Q275-G277 PolarHBondContact O-N 3.25Å
276V61.3Low49.3Very low87 Ų87111.6 Ų111.653%0.52754%0.54SS..THydrogen-bonded Turntrans-86.46.8176.8-58.30000113.7L272 M273 R274 W278L272-V276 WeakPolarHBondContact O-CG2 3.38Å; L272-V276 PolarHBondContact O-N 3.01Å; M273-V276 HydrophobicContact SD-CG2 4.37Å; R274-V276 VanDerWaalsContact C-N 3.34Å; R274-V276 PolarHBondContact O-N 3.15Å; V276-W278 VanDerWaalsContact C-N 3.27Å; V276-W278 HydrophobicContact CG2-CB 4.33Å; V276-W278 HydrophobicContact CG2-CG 4.34Å; V276-W278 PolarHBondContact O-N 2.92Å
277G52.5Low48Very low39 Ų39122.8 Ų122.840%0.40258%0.579SS.*THydrogen-bonded Turntrans70.912.7173.700000115.5M273 R274 Q275 W279M273-G277 PolarHBondContact O-N 3.37Å; R274-G277 PolarHBondContact O-N 3.45Å; Q275-G277 VanDerWaalsContact C-N 3.28Å; Q275-G277 PolarHBondContact O-N 3.25Å; G277-W279 PolarHBondContact O-N 2.94Å
278W43.2Very low46.6Very low167 Ų167130.7 Ų130.763%0.63360%0.595SS**THydrogen-bonded Turntrans-72.4-17.8178.5-94.431.3000113.5M261 M273 V276M261-W278 HydrophobicContact SD-CZ3 4.09Å; M273-W278 HydrophobicContact CE-CB 4.35Å; M273-W278 HydrophobicContact CE-CD2 4.12Å; M273-W278 HydrophobicContact CE-CE3 3.21Å; M273-W278 HydrophobicContact CE-CZ3 3.74Å; M273-W278 PolarHBondContact O-N 3.39Å; M273-W278 VanDerWaalsContact O-N 3.12Å; M273-W278 HydrophobicContact SD-CB 4.49Å; M273-W278 HydrophobicContact SD-CD2 4.46Å; M273-W278 HydrophobicContact SD-CE3 4Å; V276-W278 VanDerWaalsContact C-N 3.27Å; V276-W278 HydrophobicContact CG2-CB 4.33Å; V276-W278 HydrophobicContact CG2-CG 4.34Å; V276-W278 PolarHBondContact O-N 2.92Å
279W45.7Very low45.6Very low112 Ų112130.5 Ų130.542%0.42461%0.606SS.*THydrogen-bonded Turntrans-118.458.1177.9-60.960.2000109.5M273 R274 G277 Q281M273-W279 VanDerWaalsContact CB-CD1 3.45Å; M273-W279 HydrophobicContact CB-CG 4.48Å; R274-W279 HydrophobicContact CG-CB 4.46Å; G277-W279 PolarHBondContact O-N 2.94Å; W279-Q281 PolarHBondContact O-N 3.02Å
280E40Very low44.3Very low170 Ų170135.6 Ų135.679%0.79464%0.642SS**  trans-66.3121.3160.2-80.1-170.9167.400108.1
281Q36Very low42.8Very low159 Ų159140.9 Ų140.974%0.74366%0.664SS**  trans-50.8143.5167-70.7-171.6-23.700108.4W279 T283W279-Q281 PolarHBondContact O-N 3.02Å; Q281-T283 PolarHBondContact O-N 3.27Å
282P33.9Very low41.3Very low126 Ų126145.6 Ų145.682%0.81868%0.682SS**  trans-61.595.1164.925.9-29.3000106.2I284P282-I284 VanDerWaalsContact C-N 3.35Å; P282-I284 PolarHBondContact O-N 3.23Å
283T31Very low39.8Very low115 Ų115149.3 Ų149.371%0.70671%0.707SS**  trans-58112.2164.446.70000103.9Q281 R285Q281-T283 PolarHBondContact O-N 3.27Å; T283-R285 VanDerWaalsContact C-N 3.27Å; T283-R285 PolarHBondContact O-N 3.27Å
284I36.8Very low38.2Very low153 Ų153159 Ų15979%0.78575%0.749SS**  trans-47.1103.7167.4-67.9169.1000104.5P282 R286P282-I284 VanDerWaalsContact C-N 3.35Å; P282-I284 PolarHBondContact O-N 3.23Å; I284-R286 PolarHBondContact O-N 3.34Å
285R32.1Very low36.7Very low236 Ų236158 Ų15889%0.89176%0.756SS**  trans-63.489.4165.6-83.7-173.4176.81790.1104.2T283 R287T283-R285 VanDerWaalsContact C-N 3.27Å; T283-R285 PolarHBondContact O-N 3.27Å; R285-R287 PolarHBondContact O-N 3.35Å
286R29.3Very low35.5Very low230 Ų230155.1 Ų155.187%0.86875%0.754SS**  trans-48.8110.7163.6-107-179.1173170.2-1.2104.7I284 R288I284-R286 PolarHBondContact O-N 3.34Å; R286-R288 PolarHBondContact O-N 3.15Å
287R32.3Very low34.9Very low247 Ų247153.7 Ų153.793%0.93275%0.747SS**  trans-52.890.7175.2-162.6178.4-171.1-177.22.5107.1R285 S289R285-R287 PolarHBondContact O-N 3.35Å; R287-S289 PolarHBondContact O-N 3.16Å; R287-S289 VanDerWaalsContact O-N 3.12Å
288R28.6Very low34.4Very low233 Ų233158.6 Ų158.688%0.87976%0.764SS**  trans-76.8101.6169.3-150.7173-167171.92.5103.9R286 S290R286-R288 PolarHBondContact O-N 3.15Å; R288-S290 PolarHBondContact O-N 3.31Å
289S34.2Very low34.2Very low111 Ų111156.2 Ų156.278%0.77676%0.764SS**  trans-49.3101.4170.5-179.10000108.5R287R287-S289 PolarHBondContact O-N 3.16Å; R287-S289 VanDerWaalsContact O-N 3.12Å
290S28.8Very low34Very low107 Ų107158.2 Ų158.275%0.74878%0.777SS**  trans-91.9106.4166.550.70000106.5R288 E292R288-S290 PolarHBondContact O-N 3.31Å; S290-E292 PolarHBondContact O-N 3.01Å
291K27.5Very low34.2Very low188 Ų188156 Ų15682%0.81777%0.77SS**  trans-46.1132.2165.7-85.4175.6169.5177.80109.5V293K291-V293 PolarHBondContact O-N 2.61Å
292E28.5Very low34.5Very low196 Ų196155.6 Ų155.692%0.91677%0.766SS**  trans-53.4122.2165.8-70.2-179.6139.300109.6S290S290-E292 PolarHBondContact O-N 3.01Å
293V29.7Very low34.9Very low129 Ų129155.3 Ų155.378%0.78276%0.758SS**  trans-111.8115.9157.9178.90000105.2K291K291-V293 PolarHBondContact O-N 2.61Å
294K28.4Very low35.5Very low208 Ų208152.7 Ų152.790%0.90475%0.748SS**  trans-82.2110.6-178.9-174.9172.4-177.7175.70107.7
295D30.8Very low35.9Very low139 Ų139151 Ų15174%0.74374%0.74SS**  trans-98.9124.3177.5-125.7-14.6000110.7S297D295-S297 PolarHBondContact O-N 3.45Å
296S35.7Very low36.4Very low106 Ų106142.8 Ų142.874%0.74172%0.722SS**  trans-83.628.2-175.454.50000113.6
297S47.1Very low36.9Very low56 Ų56136 Ų13639%0.39271%0.71SS.*THydrogen-bonded Turntrans-92-2.3-167.91650000114.7D295D295-S297 PolarHBondContact O-N 3.45Å
298L43.4Very low37.5Very low143 Ų143127.8 Ų127.875%0.74969%0.691SS**THydrogen-bonded Turntrans-80.3-17-175.3-152.784.2000114
299D38.8Very low38.1Very low117 Ų117123.2 Ų123.263%0.62668%0.683SS**THydrogen-bonded Turntrans-89.1-27.7-179-68.6-40.6000112.4K302D299-K302 PolarHBondContact O-N 3.3Å
300E41.8Very low38.5Very low153 Ų153122.9 Ų122.972%0.71568%0.68SS**Hα-helixtrans-74.4-26.2177-71.4-179.5148.700113.4
301L43.9Very low39.3Very low123 Ų123122.3 Ų122.364%0.64468%0.676SS**Hα-helixtrans-78.3-19.9177.5-74.3165.3000113.1
302K42.4Very low40.1Very low152 Ų152116.1 Ų116.166%0.66166%0.657SS**Hα-helixtrans-79.3-37.9177.8-115.9178.5175.4-179.40112D299 L305 A306D299-K302 PolarHBondContact O-N 3.3Å; K302-L305 PolarHBondContact O-N 2.8Å; K302-A306 PolarHBondContact O-N 3.18Å
303D41.8Very low40.8Very low119 Ų119114.1 Ų114.164%0.63666%0.658SS**Hα-helixtrans-75.2-30.1-177.8-70.7-20.6000112.7L305 A306 S307D303-L305 VanDerWaalsContact C-N 3.34Å; D303-A306 PolarHBondContact O-N 2.96Å; D303-S307 PolarHBondContact O-N 3.01Å; D303-S307 VanDerWaalsContact O-N 3.17Å
304A44.4Very low41.6Very low60 Ų60112.7 Ų112.750%0.49665%0.654SS.*Hα-helixtrans-67.3-33.3172.500000113S308A304-S308 PolarHBondContact O-N 3.36Å; A304-S308 PolarHBondContact O-OG 2.87Å
305L44Very low42.4Very low119 Ų119104.9 Ų104.962%0.62363%0.626SS**Hα-helixtrans-76.3-35.8178.2-16668.9000111.8K302 D303 S308 L309K302-L305 PolarHBondContact O-N 2.8Å; D303-L305 VanDerWaalsContact C-N 3.34Å; L305-S308 PolarHBondContact O-N 3.04Å; L305-L309 WeakPolarHBondContact O-CD1 3.37Å; L305-L309 WeakPolarHBondContact O-CG 3.37Å
306A42.3Very low42.9Very low63 Ų63102.9 Ų102.952%0.52162%0.619SS.*Hα-helixtrans-69.8-36.317700000112.8K302 D303 S308 L309K302-A306 PolarHBondContact O-N 3.18Å; D303-A306 PolarHBondContact O-N 2.96Å; A306-S308 VanDerWaalsContact C-N 3.3Å; A306-S308 PolarHBondContact O-N 3.22Å; A306-L309 PolarHBondContact O-N 3.31Å
307S40.4Very low43.1Very low87 Ų87101.2 Ų101.261%0.60861%0.611SS**Hα-helixtrans-73-22.5178.2-151.80000113.2D303 S310D303-S307 PolarHBondContact O-N 3.01Å; D303-S307 VanDerWaalsContact O-N 3.17Å; S307-S310 PolarHBondContact O-OG 3.17Å
308S45Very low43.1Very low75 Ų75101.4 Ų101.452%0.52461%0.612SS.*Hα-helixtrans-81.7-17.1178.1-590000113.6A304 L305 A306A304-S308 PolarHBondContact O-N 3.36Å; A304-S308 PolarHBondContact O-OG 2.87Å; L305-S308 PolarHBondContact O-N 3.04Å; A306-S308 VanDerWaalsContact C-N 3.3Å; A306-S308 PolarHBondContact O-N 3.22Å
309L42Very low43.3Very low137 Ų13799.6 Ų99.672%0.71760%0.602SS**SBendtrans-91.6-7.7-176.6-74.7163.2000114.1L305 A306L305-L309 WeakPolarHBondContact O-CD1 3.37Å; L305-L309 WeakPolarHBondContact O-CG 3.37Å; A306-L309 PolarHBondContact O-N 3.31Å
310S41.5Very low43.6Very low103 Ų103100.9 Ų100.972%0.7260%0.602SS**SBendtrans-95.6-5.5-179.661.90000114.6S307S307-S310 PolarHBondContact O-OG 3.17Å
311S46.7Very low43.8Very low95 Ų9596.3 Ų96.366%0.66459%0.588SS**SBendtrans-121.311.6-170.361.40000116.4
312S42.6Very low44Very low59 Ų5995.3 Ų95.341%0.41358%0.583SS.*  trans-133.471-174.460.10000115.1S314 S315S312-S314 VanDerWaalsContact C-N 3.27Å; S312-S315 WeakPolarHBondContact CB-OG 3.09Å
313T43.7Very low44.5Very low154 Ų15492.5 Ų92.595%0.94557%0.574SS**SBendtrans-87.316.4162.148.20000113.6
314S46.2Very low44.8Very low99 Ų9989.2 Ų89.269%0.69256%0.561SS**SBendtrans-131.50.6176.967.40000116S312S312-S314 VanDerWaalsContact C-N 3.27Å
315S45.7Very low44.9Very low44 Ų4490.2 Ų90.231%0.30856%0.557SS.*  trans-90.7-6.7-17259.10000115.6S312 A317 S318S312-S315 WeakPolarHBondContact CB-OG 3.09Å; S315-A317 PolarHBondContact O-N 2.98Å; S315-S318 PolarHBondContact O-N 3.29Å; S315-S318 PolarHBondContact O-OG 3.2Å
316T41.9Very low45.2Very low97 Ų9788.3 Ų88.360%0.59554%0.544SS*.Hα-helixtrans-65.2-31.6174.5370000111.6S318 F320T316-S318 VanDerWaalsContact C-N 3.34Å; T316-S318 PolarHBondContact O-N 3.4Å; T316-F320 WeakPolarHBondContact O-CD2 3.5Å; T316-F320 PolarHBondContact O-N 3.37Å
317A40.3Very low45.4Very low70 Ų7093.7 Ų93.758%0.57956%0.556SS**Hα-helixtrans-66.5-31178.100000113.5S315 S321S315-A317 PolarHBondContact O-N 2.98Å; A317-S321 PolarHBondContact O-N 2.89Å; A317-S321 VanDerWaalsContact O-N 3.12Å; A317-S321 PolarHBondContact O-OG 2.82Å
318S45.8Very low45.7Very low60 Ų6097.9 Ų97.942%0.4256%0.558SS.*Hα-helixtrans-75.8-37.9-17961.50000112.6S315 T316 F320 S321 D322S315-S318 PolarHBondContact O-N 3.29Å; S315-S318 PolarHBondContact O-OG 3.2Å; T316-S318 VanDerWaalsContact C-N 3.34Å; T316-S318 PolarHBondContact O-N 3.4Å; S318-F320 PolarHBondContact O-N 2.87Å; S318-S321 VanDerWaalsContact CA-OG 3.25Å; S318-S321 WeakPolarHBondContact CA-OG 3.47Å; S318-S321 PolarHBondContact O-N 3.12Å; S318-S321 PolarHBondContact O-OG 3.3Å; S318-D322 PolarHBondContact O-N 2.9Å; S318-D322 VanDerWaalsContact O-N 3.08Å
319I49Very low45.9Very low106 Ų106102.2 Ų102.254%0.54457%0.568SS.*Hα-helixtrans-64.1-41.4175.8-58.6172.1000110.5D322 I323I319-D322 PolarHBondContact O-N 3Å; I319-I323 WeakPolarHBondContact O-CG1 3.14Å; I319-I323 PolarHBondContact O-N 3.31Å
320F44.7Very low46.3Very low143 Ų143101.3 Ų101.363%0.62757%0.568SS**Hα-helixtrans-70-30.3175.5-72.7-66.8000113.4T316 S318 I323 S324T316-F320 WeakPolarHBondContact O-CD2 3.5Å; T316-F320 PolarHBondContact O-N 3.37Å; S318-F320 PolarHBondContact O-N 2.87Å; F320-I323 HydrophobicContact CD1-CD1 3.77Å; F320-I323 HydrophobicContact CE1-CD1 4.2Å; F320-I323 PolarHBondContact O-N 3.45Å; F320-S324 PolarHBondContact O-N 3.39Å
321S46Very low46.8Very low58 Ų58104.8 Ų104.841%0.40657%0.573SS.*Hα-helixtrans-70.2-30.4172.753.80000113.2A317 S318 S324 N325A317-S321 PolarHBondContact O-N 2.89Å; A317-S321 VanDerWaalsContact O-N 3.12Å; A317-S321 PolarHBondContact O-OG 2.82Å; S318-S321 VanDerWaalsContact CA-OG 3.25Å; S318-S321 WeakPolarHBondContact CA-OG 3.47Å; S318-S321 PolarHBondContact O-N 3.12Å; S318-S321 PolarHBondContact O-OG 3.3Å; S321-S324 WeakPolarHBondContact O-CB 3.43Å; S321-S324 PolarHBondContact O-N 2.78Å; S321-S324 PolarHBondContact O-OG 2.6Å; S321-N325 PolarHBondContact O-N 2.9Å
322D48.5Very low47.2Very low101 Ų101104.3 Ų104.354%0.5457%0.566SS.*Hα-helixtrans-72.8-30.5172.4-80.1-30.4000113S318 I319 S324 N325 F326S318-D322 PolarHBondContact O-N 2.9Å; S318-D322 VanDerWaalsContact O-N 3.08Å; I319-D322 PolarHBondContact O-N 3Å; D322-S324 PolarHBondContact O-N 3.34Å; D322-N325 PolarHBondContact O-N 2.81Å; D322-N325 VanDerWaalsContact O-N 3.12Å; D322-F326 PolarHBondContact O-N 2.89Å
323I51.6Low47.9Very low94 Ų94103.9 Ų103.948%0.48256%0.562SS.*Hα-helixtrans-62.1-34.1169-65166.2000111I319 F320 N325 F326I319-I323 WeakPolarHBondContact O-CG1 3.14Å; I319-I323 PolarHBondContact O-N 3.31Å; F320-I323 HydrophobicContact CD1-CD1 3.77Å; F320-I323 HydrophobicContact CE1-CD1 4.2Å; F320-I323 PolarHBondContact O-N 3.45Å; I323-N325 VanDerWaalsContact C-N 3.32Å; I323-N325 PolarHBondContact O-N 3.27Å; I323-F326 VanDerWaalsContact O-CB 3.25Å; I323-F326 WeakPolarHBondContact O-CB 3.3Å; I323-F326 PolarHBondContact O-N 3.38Å
324S48Very low49Very low50 Ų50106.3 Ų106.335%0.3556%0.559SS.*Hα-helixtrans-71.1-26175.487.80000113.4F320 S321 D322 R328F320-S324 PolarHBondContact O-N 3.39Å; S321-S324 WeakPolarHBondContact O-CB 3.43Å; S321-S324 PolarHBondContact O-N 2.78Å; S321-S324 PolarHBondContact O-OG 2.6Å; D322-S324 PolarHBondContact O-N 3.34Å; S324-R328 PolarHBondContact O-NE 3.01Å; S324-R328 PolarHBondContact OG-NH2 2.84Å
325N47.3Very low50.8Low80 Ų80106.9 Ų106.943%0.42856%0.555SS.*Hα-helixtrans-79.5-25.8173.3-77.5-32.3000112.1S321 D322 I323 K327 R328S321-N325 PolarHBondContact O-N 2.9Å; D322-N325 PolarHBondContact O-N 2.81Å; D322-N325 VanDerWaalsContact O-N 3.12Å; I323-N325 VanDerWaalsContact C-N 3.32Å; I323-N325 PolarHBondContact O-N 3.27Å; N325-K327 PolarHBondContact O-N 2.82Å; N325-R328 PolarHBondContact O-N 3.29Å; N325-R328 PolarHBondContact OD1-NH2 3.29Å; N325-R328 VanDerWaalsContact OD1-NH2 3.17Å
326F49.5Very low52.8Low79 Ų79111 Ų11135%0.34656%0.563SS.*Hα-helixtrans-58.1-33170.9-119.4-90.5000113D322 I323 R372 V373 E392D322-F326 PolarHBondContact O-N 2.89Å; I323-F326 VanDerWaalsContact O-CB 3.25Å; I323-F326 WeakPolarHBondContact O-CB 3.3Å; I323-F326 PolarHBondContact O-N 3.38Å; F326-R372 HydrophobicContact CE1-CB 4.04Å; F326-V373 HydrophobicContact CD1-CG2 3.72Å; F326-V373 HydrophobicContact CE1-CG2 3.77Å; F326-E392 HydrophobicContact CE2-CB 4.43Å; F326-E392 HydrophobicContact CZ-CB 4.03Å; F326-E392 HydrophobicContact CZ-CG 4.06Å
327K47.3Very low55.3Low177 Ų177106.6 Ų106.677%0.7754%0.537SS*.THydrogen-bonded Turntrans-75.1-19.5175.5-97.1-177.5176.2179.10114.4N325N325-K327 PolarHBondContact O-N 2.82Å
328R46.6Very low57.8Low174 Ų174108.3 Ų108.366%0.65753%0.531SS*.THydrogen-bonded Turntrans-95-1.6-167.7-87.8-177-84.2176-5.5115.4S324 N325S324-R328 PolarHBondContact O-NE 3.01Å; S324-R328 PolarHBondContact OG-NH2 2.84Å; N325-R328 PolarHBondContact O-N 3.29Å; N325-R328 PolarHBondContact OD1-NH2 3.29Å; N325-R328 VanDerWaalsContact OD1-NH2 3.17Å
329K48.2Very low60.2Low166 Ų166107.9 Ų107.972%0.72252%0.524SS*.  trans-124.456.7170.7-70.6-173.1179.4179.70111.6E331K329-E331 PolarHBondContact O-N 2.85Å
330T52Low62.4Low118 Ų118105 Ų10572%0.72451%0.508SS*.  trans-78.157.9160.844.80000110.1V332T330-V332 VanDerWaalsContact C-N 3.28Å; T330-V332 PolarHBondContact O-N 2.82Å; T330-V332 VanDerWaalsContact O-N 3.11Å
331E52.2Low64.9Low176 Ų176102.5 Ų102.582%0.82251%0.508SS*.  trans-71.4101.7151.3-88.4-163.2150.800105.4K329 P333K329-E331 PolarHBondContact O-N 2.85Å; E331-P333 WeakPolarHBondContact O-CD 3.31Å
332V55.3Low67.1Low85 Ų85104.5 Ų104.552%0.51551%0.51SS..  trans-57.2115.4173.1-178.60000106.7T330 K334 R336T330-V332 VanDerWaalsContact C-N 3.28Å; T330-V332 PolarHBondContact O-N 2.82Å; T330-V332 VanDerWaalsContact O-N 3.11Å; V332-K334 PolarHBondContact O-N 2.83Å; V332-K334 VanDerWaalsContact O-N 3.12Å; V332-R336 VanDerWaalsContact CG1-CZ 3.48Å
333P56.9Low69.2Low51 Ų51105.1 Ų105.133%0.33151%0.513SS..  trans-55.7125.8-176.7-24.833.7000109E331 N335 R336E331-P333 WeakPolarHBondContact O-CD 3.31Å; P333-N335 PolarHBondContact O-N 2.9Å; P333-N335 VanDerWaalsContact O-N 3.1Å; P333-R336 PolarHBondContact O-N 2.77Å
334K65.8Low71.1Confident205 Ų205101.5 Ų101.589%0.89150%0.495SS*.THydrogen-bonded Turntrans-57.6-25.6177.7-69.7179.1-178172.20111.2V332V332-K334 PolarHBondContact O-N 2.83Å; V332-K334 VanDerWaalsContact O-N 3.12Å
335N84.3Confident73.1Confident111 Ų11199.6 Ų99.659%0.59448%0.482SS*.THydrogen-bonded Turntrans-110.639.1-179.9-67.6-10.3000113.6P333 G368 D369P333-N335 PolarHBondContact O-N 2.9Å; P333-N335 VanDerWaalsContact O-N 3.1Å; N335-G368 CarbonylContact O-C 3.39Å; N335-G368 WeakPolarHBondContact O-CA 3.13Å; N335-D369 PolarHBondContact O-N 2.81Å
336R88.8Confident74.9Confident129 Ų12996 Ų9649%0.48746%0.463SS..BIsolated β-bridgetrans-54.6146.8177.775.6-178.381.8162.511.7112.9V332 P333 K338V332-R336 VanDerWaalsContact CG1-CZ 3.48Å; P333-R336 PolarHBondContact O-N 2.77Å; R336-K338 PolarHBondContact O-N 2.81Å; R336-K338 VanDerWaalsContact O-N 3.17Å
337C93.2Very high76.6Confident6 Ų694.8 Ų94.84%0.04146%0.459CS..SBendtrans-50.5119.6172.71750000111.1D369 Y378 C403C337-D369 PolarHBondContact N-O 2.87Å; C337-Y378 HydrophobicContact CB-CE1 4.11Å; C337-C403 WeakPolarHBondContact CA-SG 3.24Å; C337-C403 HydrophobicContact CB-CB 3.61Å; C337-C403 WeakPolarHBondContact CB-SG 3.5Å; C337-C403 VanDerWaalsContact SG-CA 3.58Å; C337-C403 WeakPolarHBondContact SG-CB 3.49Å; C337-C403 CovalentContact SG-SG 2.03Å; C337-C403 PolarHBondContact SG-SG 2.84Å
338K92.9Very high78.4Confident106 Ų10691.3 Ų91.346%0.46145%0.446SS..EExtended strand (participates in β ladder)trans-156.6168.7179.769.1-175.6-178.7-178.80111.1R336 H340 Q367 C434R336-K338 PolarHBondContact O-N 2.81Å; R336-K338 VanDerWaalsContact O-N 3.17Å; K338-H340 WeakPolarHBondContact CE-CE1 3.37Å; K338-H340 WeakPolarHBondContact CG-NE2 3.25Å; K338-H340 PolarHBondContact O-CD2 3.38Å; K338-H340 PolarHBondContact O-NE2 3.03Å; K338-Q367 PolarHBondContact N-O 2.7Å; K338-Q367 PolarHBondContact O-N 3.19Å; K338-Q367 VanDerWaalsContact O-N 3.1Å; K338-C434 PolarHBondContact O-SG 3.08Å
339L95.7Very high80.1Confident51 Ų5186.6 Ų86.627%0.26743%0.433SS..EExtended strand (participates in β ladder)trans-81.6136.1174.8-166.271.2000110.6R364 A431 E432 C434L339-R364 HydrophobicContact CD1-CB 3.88Å; L339-R364 HydrophobicContact CD2-CB 4.38Å; L339-R364 HydrophobicContact CG-CB 4.07Å; L339-A431 HydrophobicContact CD1-CB 3.76Å; L339-E432 WeakPolarHBondContact CD2-O 3.41Å; L339-C434 WeakPolarHBondContact CA-SG 3.25Å; L339-C434 PolarHBondContact N-SG 2.87Å; L339-C434 VanDerWaalsContact N-SG 3.38Å
340H96.1Very high81.7Confident46 Ų4680.7 Ų80.721%0.21342%0.42CS..EExtended strand (participates in β ladder)trans-120.4148.5177.4-61.1-98.8000109.6K338 R364 Y365 Q367K338-H340 WeakPolarHBondContact CE-CE1 3.37Å; K338-H340 WeakPolarHBondContact CG-NE2 3.25Å; K338-H340 PolarHBondContact O-CD2 3.38Å; K338-H340 PolarHBondContact O-NE2 3.03Å; H340-R364 CarbonylContact O-C 3.54Å; H340-R364 WeakPolarHBondContact O-CA 3.01Å; H340-R364 VanDerWaalsContact O-CB 3.27Å; H340-R364 WeakPolarHBondContact O-CB 3.2Å; H340-Y365 HydrophobicContact CB-CD1 3.97Å; H340-Y365 HydrophobicContact CB-CE1 3.52Å; H340-Y365 HydrophobicContact CB-CE2 4.14Å; H340-Y365 HydrophobicContact CB-CG 4.45Å; H340-Y365 PolarHBondContact N-O 2.04Å; H340-Y365 PolarHBondContact O-N 3.18Å; H340-Q367 PolarHBondContact NE2-O 3.19Å
341S95.9Very high83.1Confident90 Ų9075.7 Ų75.763%0.62939%0.389SS*.  trans-88.9141.2174.6-690000110.5N362S341-N362 WeakPolarHBondContact CB-ND2 3.48Å; S341-N362 PolarHBondContact OG-ND2 2.77Å
342F93.8Very high84.5Confident99 Ų9967.6 Ų67.643%0.43435%0.352SS..  trans-142.8123.4175.2177.7-109.4000107.6L344 N362 P363 Y365F342-L344 HydrophobicContact CD1-CB 4.14Å; F342-L344 HydrophobicContact CE1-CB 3.81Å; F342-L344 HydrophobicContact CE1-CD1 4.09Å; F342-L344 HydrophobicContact CE1-CG 4.36Å; F342-N362 PolarHBondContact N-OD1 3.04Å; F342-N362 WeakPolarHBondContact O-CA 3.39Å; F342-N362 PolarHBondContact O-OD1 2.68Å; F342-P363 HydrophobicContact CD1-CG 3.87Å; F342-P363 VanDerWaalsContact O-CD 3.24Å; F342-P363 WeakPolarHBondContact O-CD 3.29Å; F342-Y365 HydrophobicContact CB-CD1 3.78Å; F342-Y365 HydrophobicContact CB-CE1 3.93Å
343N92.4Very high85.7Confident115 Ų11567 Ų6762%0.61534%0.344SS*.  trans-96.9125.9178.6-173.837.5000108.8Y361N343-Y361 PolarHBondContact OD1-O 3.2Å
344L90.5Very high87Confident18 Ų1866 Ų669%0.09433%0.334CS..EExtended strand (participates in β ladder)trans-125.8120.7-175176.362000109.7F342 E348 L349 A360 Y361 P363F342-L344 HydrophobicContact CD1-CB 4.14Å; F342-L344 HydrophobicContact CE1-CB 3.81Å; F342-L344 HydrophobicContact CE1-CD1 4.09Å; F342-L344 HydrophobicContact CE1-CG 4.36Å; L344-E348 HydrophobicContact CD1-CB 4.47Å; L344-L349 HydrophobicContact CD1-CD1 4.44Å; L344-L349 HydrophobicContact CD1-CD2 4.2Å; L344-L349 HydrophobicContact CD1-CG 4.06Å; L344-L349 HydrophobicContact CD2-CD1 3.91Å; L344-L349 HydrophobicContact CD2-CG 4.43Å; L344-L349 HydrophobicContact CG-CD1 4.48Å; L344-A360 CarbonylContact O-C 3.5Å; L344-A360 WeakPolarHBondContact O-CA 3.48Å; L344-A360 WeakPolarHBondContact O-CB 3.5Å; L344-Y361 HydrophobicContact CB-CE1 4.28Å; L344-Y361 HydrophobicContact CD2-CE1 3.73Å; L344-Y361 HydrophobicContact CG-CE1 4.21Å; L344-Y361 PolarHBondContact N-O 2.86Å; L344-Y361 PolarHBondContact O-N 2.94Å; L344-P363 HydrophobicContact CB-CG 4.37Å
345A90Very high88Confident10 Ų1056.4 Ų56.48%0.08329%0.292CS..EExtended strand (participates in β ladder)trans-87.7135.5166.800000110.4H54 N347 E348 A360H54-A345 HydrophobicContact CB-CB 4.34Å; A345-N347 PolarHBondContact O-N 2.84Å; A345-N347 VanDerWaalsContact O-N 3.11Å; A345-E348 HydrophobicContact CB-CG 4.16Å; A345-E348 WeakPolarHBondContact CB-OE1 3.5Å; A345-E348 WeakPolarHBondContact O-CB 3.48Å; A345-E348 PolarHBondContact O-N 3.14Å; A345-A360 HydrophobicContact CB-CB 4.11Å
346F86.6Confident88.4Confident5 Ų551.7 Ų51.72%0.02227%0.266CS..G310 helixtrans-61.5-24.4178.4-69.5-70000113.3E348 L349 G350 L351 G352 F355 P358 R359 Y361 M411F346-E348 VanDerWaalsContact C-N 3.26Å; F346-E348 PolarHBondContact O-N 2.76Å; F346-L349 PolarHBondContact O-N 2.97Å; F346-G350 PolarHBondContact O-N 3.35Å; F346-L351 HydrophobicContact CB-CB 4.49Å; F346-L351 PolarHBondContact O-N 2.99Å; F346-G352 PolarHBondContact O-N 3.47Å; F346-F355 HydrophobicContact CB-CB 4.35Å; F346-F355 HydrophobicContact CB-CD2 4.02Å; F346-F355 HydrophobicContact CB-CG 4.37Å; F346-F355 AromaticContact CD1-CD2 3.71Å; F346-F355 HydrophobicContact CD1-CD2 3.71Å; F346-F355 AromaticContact CD1-CE2 3.7Å; F346-F355 HydrophobicContact CD1-CE2 3.7Å; F346-F355 HydrophobicContact CD1-CG 4.13Å; F346-F355 HydrophobicContact CD1-CZ 4.11Å; F346-F355 HydrophobicContact CD2-CB 3.83Å; F346-F355 HydrophobicContact CD2-CD1 4.14Å; F346-F355 HydrophobicContact CD2-CD2 4.12Å; F346-F355 AromaticContact CD2-CG 3.76Å; F346-F355 HydrophobicContact CD2-CG 3.76Å; F346-F355 HydrophobicContact CE1-CD1 4.3Å; F346-F355 HydrophobicContact CE1-CD2 4.18Å; F346-F355 HydrophobicContact CE1-CE1 4.03Å; F346-F355 AromaticContact CE1-CE2 3.91Å; F346-F355 HydrophobicContact CE1-CE2 3.91Å; F346-F355 HydrophobicContact CE1-CG 4.37Å; F346-F355 AromaticContact CE1-CZ 3.82Å; F346-F355 HydrophobicContact CE1-CZ 3.82Å; F346-F355 HydrophobicContact CE2-CB 4.36Å; F346-F355 AromaticContact CE2-CD1 3.89Å; F346-F355 HydrophobicContact CE2-CD1 3.89Å; F346-F355 HydrophobicContact CE2-CE1 4.32Å; F346-F355 HydrophobicContact CE2-CG 4.02Å; F346-F355 HydrophobicContact CG-CB 4.12Å; F346-F355 HydrophobicContact CG-CD1 4.44Å; F346-F355 AromaticContact CG-CD2 3.68Å; F346-F355 HydrophobicContact CG-CD2 3.68Å; F346-F355 HydrophobicContact CG-CE2 4.18Å; F346-F355 AromaticContact CG-CG 3.82Å; F346-F355 HydrophobicContact CG-CG 3.82Å; F346-F355 AromaticContact CZ-CD1 3.99Å; F346-F355 HydrophobicContact CZ-CD1 3.99Å; F346-F355 AromaticContact CZ-CE1 3.94Å; F346-F355 HydrophobicContact CZ-CE1 3.94Å; F346-F355 HydrophobicContact CZ-CG 4.32Å; F346-F355 HydrophobicContact CZ-CZ 4.21Å; F346-P358 WeakPolarHBondContact CD2-O 3.46Å; F346-P358 HydrophobicContact CE2-CG 4.16Å; F346-P358 WeakPolarHBondContact CE2-O 3.38Å; F346-R359 PolarHBondContact N-O 2.85Å; F346-Y361 HydrophobicContact CE1-CD1 4.07Å; F346-Y361 AromaticContact CE1-CE1 3.65Å; F346-Y361 HydrophobicContact CE1-CE1 3.65Å; F346-Y361 AromaticContact CE2-CD1 3.92Å; F346-Y361 HydrophobicContact CE2-CD1 3.92Å; F346-Y361 HydrophobicContact CE2-CE1 4.35Å; F346-Y361 AromaticContact CZ-CD1 3.51Å; F346-Y361 HydrophobicContact CZ-CD1 3.51Å; F346-Y361 AromaticContact CZ-CE1 3.55Å; F346-Y361 HydrophobicContact CZ-CE1 3.55Å; F346-Y361 HydrophobicContact CZ-CG 4.43Å; F346-M411 HydrophobicContact CE2-CE 4.49Å; F346-M411 HydrophobicContact CZ-CE 3.71Å
347N84.7Confident88.6Confident52 Ų5246.1 Ų46.128%0.27825%0.248SC..G310 helixtrans-63.2-31.4173.5-69.816.4000112.6H54 A345 L349 G350 G352H54-N347 PolarHBondContact O-ND2 2.74Å; A345-N347 PolarHBondContact O-N 2.84Å; A345-N347 VanDerWaalsContact O-N 3.11Å; N347-L349 PolarHBondContact O-N 3.42Å; N347-G350 PolarHBondContact O-N 2.74Å; N347-G352 WeakPolarHBondContact OD1-CA 3.4Å
348E85.4Confident88.6Confident105 Ų10545.9 Ų45.949%0.49125%0.247SC..G310 helixtrans-69.2-23.2177.6-64.8169-148.100111.7H54 L344 A345 F346H54-E348 IonicContact CD2-OE1 3.16Å; L344-E348 HydrophobicContact CD1-CB 4.47Å; A345-E348 HydrophobicContact CB-CG 4.16Å; A345-E348 WeakPolarHBondContact CB-OE1 3.5Å; A345-E348 WeakPolarHBondContact O-CB 3.48Å; A345-E348 PolarHBondContact O-N 3.14Å; F346-E348 VanDerWaalsContact C-N 3.26Å; F346-E348 PolarHBondContact O-N 2.76Å
349L82.4Confident88.4Confident74 Ų7443.5 Ų43.539%0.38724%0.235SC..G310 helixtrans-90.30.2171.7-59.4-176.3000113.1L344 F346 N347 L351L344-L349 HydrophobicContact CD1-CD1 4.44Å; L344-L349 HydrophobicContact CD1-CD2 4.2Å; L344-L349 HydrophobicContact CD1-CG 4.06Å; L344-L349 HydrophobicContact CD2-CD1 3.91Å; L344-L349 HydrophobicContact CD2-CG 4.43Å; L344-L349 HydrophobicContact CG-CD1 4.48Å; F346-L349 PolarHBondContact O-N 2.97Å; N347-L349 PolarHBondContact O-N 3.42Å; L349-L351 HydrophobicContact CB-CD1 3.94Å; L349-L351 HydrophobicContact CB-CG 3.76Å; L349-L351 HydrophobicContact CD1-CD1 4.13Å; L349-L351 WeakPolarHBondContact O-CG 3.24Å; L349-L351 PolarHBondContact O-N 3.06Å
350G80.1Confident88.2Confident43 Ų4342.2 Ų42.244%0.44323%0.232SC..THydrogen-bonded Turntrans69.714.9-17200000114F346 N347 H353F346-G350 PolarHBondContact O-N 3.35Å; N347-G350 PolarHBondContact O-N 2.74Å; G350-H353 PolarHBondContact O-CE1 3.29Å; G350-H353 PolarHBondContact O-ND1 3.47Å
351L81.6Confident88.1Confident13 Ų1341.3 Ų41.37%0.06823%0.226CC..  trans-102.94.9-176-47.9-179.2000112.8L265 L272 F346 L349 H353 Y354 F355L265-L351 HydrophobicContact CB-CD2 4.48Å; L265-L351 HydrophobicContact CD1-CD1 3.55Å; L265-L351 HydrophobicContact CD1-CD2 3.71Å; L265-L351 HydrophobicContact CD1-CG 4.21Å; L265-L351 HydrophobicContact CD2-CB 4.07Å; L265-L351 HydrophobicContact CD2-CD1 3.75Å; L265-L351 HydrophobicContact CD2-CD2 3.77Å; L265-L351 HydrophobicContact CD2-CG 4.01Å; L265-L351 HydrophobicContact CG-CD1 4.27Å; L265-L351 HydrophobicContact CG-CD2 4.15Å; L272-L351 HydrophobicContact CD2-CD2 4.39Å; F346-L351 HydrophobicContact CB-CB 4.49Å; F346-L351 PolarHBondContact O-N 2.99Å; L349-L351 HydrophobicContact CB-CD1 3.94Å; L349-L351 HydrophobicContact CB-CG 3.76Å; L349-L351 HydrophobicContact CD1-CD1 4.13Å; L349-L351 WeakPolarHBondContact O-CG 3.24Å; L349-L351 PolarHBondContact O-N 3.06Å; L351-H353 PolarHBondContact O-N 3.32Å; L351-H353 VanDerWaalsContact O-N 3.13Å; L351-Y354 PolarHBondContact O-N 2.97Å; L351-F355 HydrophobicContact CB-CD2 4.24Å; L351-F355 HydrophobicContact CB-CE2 4.17Å; L351-F355 WeakPolarHBondContact O-CD2 3.35Å; L351-F355 PolarHBondContact O-N 2.89Å
352G81.3Confident88Confident5 Ų539.5 Ų39.55%0.05221%0.21CC..THydrogen-bonded Turntrans-56.7-27-17400000117.1F346 N347 R359F346-G352 PolarHBondContact O-N 3.47Å; N347-G352 WeakPolarHBondContact OD1-CA 3.4Å; G352-R359 PolarHBondContact O-NH1 2.98Å
353H80.9Confident88.1Confident73 Ų7335.8 Ų35.834%0.33820%0.195SC..THydrogen-bonded Turntrans-74.9-25.9178.153.8-63.2000113E268 G350 L351 V416E268-H353 IonicContact OE2-CE1 3.9Å; E268-H353 PolarHBondContact OE2-CE1 2.97Å; E268-H353 IonicContact OE2-NE2 3.09Å; E268-H353 PolarHBondContact OE2-NE2 2.85Å; G350-H353 PolarHBondContact O-CE1 3.29Å; G350-H353 PolarHBondContact O-ND1 3.47Å; L351-H353 PolarHBondContact O-N 3.32Å; L351-H353 VanDerWaalsContact O-N 3.13Å; H353-V416 VanDerWaalsContact O-CG1 3.3Å; H353-V416 WeakPolarHBondContact O-CG1 3.46Å
354Y84.1Confident88.3Confident31 Ų3133.2 Ų33.212%0.12218%0.177CC..THydrogen-bonded Turntrans-81.4-39.4176.9-62.5-66.6000111.9L264 L265 L351 V415 V416 Y417L264-Y354 VanDerWaalsContact O-CD1 3.25Å; L264-Y354 WeakPolarHBondContact O-CD1 3.42Å; L264-Y354 WeakPolarHBondContact O-CE1 3.23Å; L265-Y354 HydrophobicContact CB-CE2 4.26Å; L265-Y354 HydrophobicContact CD2-CD2 3.76Å; L265-Y354 HydrophobicContact CD2-CE2 4.24Å; L265-Y354 HydrophobicContact CD2-CG 4.36Å; L265-Y354 PolarHBondContact O-OH 3.13Å; L351-Y354 PolarHBondContact O-N 2.97Å; Y354-V415 CarbonylContact O-C 3.53Å; Y354-V415 WeakPolarHBondContact O-CA 3.21Å; Y354-V416 PolarHBondContact O-N 2.74Å; Y354-Y417 HydrophobicContact CD1-CD2 4.31Å; Y354-Y417 AromaticContact CE1-CD2 3.99Å; Y354-Y417 HydrophobicContact CE1-CD2 3.99Å; Y354-Y417 HydrophobicContact CE1-CE2 4.49Å
355F88.4Confident88.5Confident3 Ų336.8 Ų36.81%0.01319%0.19CC..EExtended strand (participates in β ladder)trans-90.3109.4-176.2-68-90.5000112.4W260 L264 L265 F346 L351 R359 V413 V415W260-F355 HydrophobicContact CH2-CZ 4.23Å; W260-F355 HydrophobicContact CZ2-CE1 4.45Å; W260-F355 HydrophobicContact CZ2-CZ 4.06Å; L264-F355 HydrophobicContact CD2-CE1 4.01Å; L264-F355 HydrophobicContact CD2-CE2 3.65Å; L264-F355 HydrophobicContact CD2-CZ 3.27Å; L265-F355 HydrophobicContact CD2-CE2 4.36Å; F346-F355 HydrophobicContact CB-CB 4.35Å; F346-F355 HydrophobicContact CB-CD2 4.02Å; F346-F355 HydrophobicContact CB-CG 4.37Å; F346-F355 AromaticContact CD1-CD2 3.71Å; F346-F355 HydrophobicContact CD1-CD2 3.71Å; F346-F355 AromaticContact CD1-CE2 3.7Å; F346-F355 HydrophobicContact CD1-CE2 3.7Å; F346-F355 HydrophobicContact CD1-CG 4.13Å; F346-F355 HydrophobicContact CD1-CZ 4.11Å; F346-F355 HydrophobicContact CD2-CB 3.83Å; F346-F355 HydrophobicContact CD2-CD1 4.14Å; F346-F355 HydrophobicContact CD2-CD2 4.12Å; F346-F355 AromaticContact CD2-CG 3.76Å; F346-F355 HydrophobicContact CD2-CG 3.76Å; F346-F355 HydrophobicContact CE1-CD1 4.3Å; F346-F355 HydrophobicContact CE1-CD2 4.18Å; F346-F355 HydrophobicContact CE1-CE1 4.03Å; F346-F355 AromaticContact CE1-CE2 3.91Å; F346-F355 HydrophobicContact CE1-CE2 3.91Å; F346-F355 HydrophobicContact CE1-CG 4.37Å; F346-F355 AromaticContact CE1-CZ 3.82Å; F346-F355 HydrophobicContact CE1-CZ 3.82Å; F346-F355 HydrophobicContact CE2-CB 4.36Å; F346-F355 AromaticContact CE2-CD1 3.89Å; F346-F355 HydrophobicContact CE2-CD1 3.89Å; F346-F355 HydrophobicContact CE2-CE1 4.32Å; F346-F355 HydrophobicContact CE2-CG 4.02Å; F346-F355 HydrophobicContact CG-CB 4.12Å; F346-F355 HydrophobicContact CG-CD1 4.44Å; F346-F355 AromaticContact CG-CD2 3.68Å; F346-F355 HydrophobicContact CG-CD2 3.68Å; F346-F355 HydrophobicContact CG-CE2 4.18Å; F346-F355 AromaticContact CG-CG 3.82Å; F346-F355 HydrophobicContact CG-CG 3.82Å; F346-F355 AromaticContact CZ-CD1 3.99Å; F346-F355 HydrophobicContact CZ-CD1 3.99Å; F346-F355 AromaticContact CZ-CE1 3.94Å; F346-F355 HydrophobicContact CZ-CE1 3.94Å; F346-F355 HydrophobicContact CZ-CG 4.32Å; F346-F355 HydrophobicContact CZ-CZ 4.21Å; L351-F355 HydrophobicContact CB-CD2 4.24Å; L351-F355 HydrophobicContact CB-CE2 4.17Å; L351-F355 WeakPolarHBondContact O-CD2 3.35Å; L351-F355 PolarHBondContact O-N 2.89Å; F355-R359 PolarHBondContact O-NH1 2.89Å; F355-V413 HydrophobicContact CD1-CB 4.17Å; F355-V413 HydrophobicContact CD1-CG1 4.24Å; F355-V413 HydrophobicContact CE1-CB 4.09Å; F355-V413 HydrophobicContact CE1-CG1 3.93Å; F355-V413 HydrophobicContact CE1-CG2 4.42Å; F355-V415 HydrophobicContact CD1-CG1 3.75Å; F355-V415 HydrophobicContact CE1-CG1 3.87Å; F355-V415 HydrophobicContact CG-CG1 4.38Å
356I90.9Very high88.8Confident11 Ų1137.2 Ų37.26%0.05619%0.192CC..EExtended strand (participates in β ladder)trans-75.5-44.7170.1-64.5157.6000110L58 L68 L72 R359 L414 V416 V421L58-I356 HydrophobicContact CD2-CG2 4.23Å; L68-I356 HydrophobicContact CD1-CD1 3.67Å; L68-I356 HydrophobicContact CD1-CG2 4.46Å; L72-I356 HydrophobicContact CD2-CG2 3.91Å; I356-R359 WeakPolarHBondContact O-CD 3.35Å; I356-R359 VanDerWaalsContact O-CZ 3.32Å; I356-R359 PolarHBondContact O-NE 2.74Å; I356-L414 WeakPolarHBondContact CA-O 3.26Å; I356-L414 HydrophobicContact CB-CB 4.42Å; I356-L414 HydrophobicContact CB-CD2 4.16Å; I356-L414 HydrophobicContact CB-CG 4.22Å; I356-L414 WeakPolarHBondContact CB-O 3.07Å; I356-L414 HydrophobicContact CD1-CD2 4.42Å; I356-L414 HydrophobicContact CD1-CG 4.27Å; I356-L414 HydrophobicContact CG2-CD2 3.85Å; I356-L414 HydrophobicContact CG2-CG 4.45Å; I356-L414 PolarHBondContact N-O 2.87Å; I356-V416 HydrophobicContact CD1-CB 3.84Å; I356-V416 HydrophobicContact CD1-CG1 4.16Å; I356-V416 HydrophobicContact CG1-CB 4.41Å; I356-V416 HydrophobicContact CG1-CG1 4.18Å; I356-V421 HydrophobicContact CD1-CG1 4.12Å
357A93.3Very high89.3Confident13 Ų1341.8 Ų41.811%0.10721%0.214CC..EExtended strand (participates in β ladder)trans-150.8147.8174.900000111.2Y75 V413 L414Y75-A357 HydrophobicContact CD1-CB 3.93Å; Y75-A357 HydrophobicContact CD2-CB 4.42Å; Y75-A357 HydrophobicContact CE1-CB 3.53Å; Y75-A357 HydrophobicContact CE2-CB 4.06Å; Y75-A357 HydrophobicContact CG-CB 4.37Å; A357-V413 CarbonylContact O-C 3.45Å; A357-V413 WeakPolarHBondContact O-CA 3.28Å; A357-L414 HydrophobicContact CB-CB 4.2Å; A357-L414 PolarHBondContact N-O 2.89Å; A357-L414 PolarHBondContact O-N 2.71Å
358P93.9Very high89.7Confident1 Ų140.4 Ų40.41%0.00621%0.212CC..  cis-69.9161.8-13.335.4-35.8000110Y75 P81 D82 F346 M411 S412Y75-P358 VanDerWaalsContact OH-CD 3.31Å; Y75-P358 WeakPolarHBondContact OH-CD 3.46Å; P81-P358 VanDerWaalsContact O-CB 3.25Å; P81-P358 WeakPolarHBondContact O-CB 3.35Å; D82-P358 VanDerWaalsContact C-CB 3.47Å; F346-P358 WeakPolarHBondContact CD2-O 3.46Å; F346-P358 HydrophobicContact CE2-CG 4.16Å; F346-P358 WeakPolarHBondContact CE2-O 3.38Å; P358-M411 HydrophobicContact CG-SD 4.13Å; P358-S412 WeakPolarHBondContact CD-O 3.42Å
359R88.4Confident90Very high56 Ų5639.9 Ų39.921%0.21121%0.212CC..SBendtrans-84.6-28.2178-64.7-62.6-170.8169.94.2112.7R56 F346 G352 F355 I356R56-R359 PolarHBondContact O-NH2 3.34Å; F346-R359 PolarHBondContact N-O 2.85Å; G352-R359 PolarHBondContact O-NH1 2.98Å; F355-R359 PolarHBondContact O-NH1 2.89Å; I356-R359 WeakPolarHBondContact O-CD 3.35Å; I356-R359 VanDerWaalsContact O-CZ 3.32Å; I356-R359 PolarHBondContact O-NE 2.74Å
360A90.9Very high90.4Very high24 Ų2437.5 Ų37.520%0.19820%0.202CC..EExtended strand (participates in β ladder)trans-146.9152.4175.300000108.4L344 A345L344-A360 CarbonylContact O-C 3.5Å; L344-A360 WeakPolarHBondContact O-CA 3.48Å; L344-A360 WeakPolarHBondContact O-CB 3.5Å; A345-A360 HydrophobicContact CB-CB 4.11Å
361Y93.7Very high90.8Very high26 Ų2636.5 Ų36.510%0.10219%0.187CC..EExtended strand (participates in β ladder)trans-144.6166.6177.977.4-68.3000110.1D82 N343 L344 F346 P363 M411 M429 V430D82-Y361 WeakPolarHBondContact O-CB 3.34Å; N343-Y361 PolarHBondContact OD1-O 3.2Å; L344-Y361 HydrophobicContact CB-CE1 4.28Å; L344-Y361 HydrophobicContact CD2-CE1 3.73Å; L344-Y361 HydrophobicContact CG-CE1 4.21Å; L344-Y361 PolarHBondContact N-O 2.86Å; L344-Y361 PolarHBondContact O-N 2.94Å; F346-Y361 HydrophobicContact CE1-CD1 4.07Å; F346-Y361 AromaticContact CE1-CE1 3.65Å; F346-Y361 HydrophobicContact CE1-CE1 3.65Å; F346-Y361 AromaticContact CE2-CD1 3.92Å; F346-Y361 HydrophobicContact CE2-CD1 3.92Å; F346-Y361 HydrophobicContact CE2-CE1 4.35Å; F346-Y361 AromaticContact CZ-CD1 3.51Å; F346-Y361 HydrophobicContact CZ-CD1 3.51Å; F346-Y361 AromaticContact CZ-CE1 3.55Å; F346-Y361 HydrophobicContact CZ-CE1 3.55Å; F346-Y361 HydrophobicContact CZ-CG 4.43Å; Y361-P363 HydrophobicContact CD2-CB 4.28Å; Y361-P363 HydrophobicContact CE2-CB 3.51Å; Y361-P363 HydrophobicContact CE2-CG 4Å; Y361-P363 WeakPolarHBondContact O-CD 3.4Å; Y361-M411 HydrophobicContact CD1-SD 4.28Å; Y361-M411 HydrophobicContact CD2-CE 4.37Å; Y361-M411 HydrophobicContact CD2-SD 3.49Å; Y361-M411 WeakPolarHBondContact CD2-SD 3.33Å; Y361-M411 HydrophobicContact CE2-SD 4.12Å; Y361-M411 HydrophobicContact CG-CE 4.41Å; Y361-M411 HydrophobicContact CG-SD 3.59Å; Y361-M411 VanDerWaalsContact CG-SD 3.59Å; Y361-M429 HydrophobicContact CE2-CE 4.38Å; Y361-V430 HydrophobicContact CD2-CG2 4.23Å
362N95Very high90.8Very high53 Ų5342.5 Ų42.528%0.28321%0.209SC..  trans-106.189.9174.7-178-0.7000109.7S341 F342 R364 V430S341-N362 WeakPolarHBondContact CB-ND2 3.48Å; S341-N362 PolarHBondContact OG-ND2 2.77Å; F342-N362 PolarHBondContact N-OD1 3.04Å; F342-N362 WeakPolarHBondContact O-CA 3.39Å; F342-N362 PolarHBondContact O-OD1 2.68Å; N362-R364 PolarHBondContact O-N 3.13Å; N362-R364 VanDerWaalsContact O-N 3.11Å; N362-R364 WeakPolarHBondContact OD1-CG 3.42Å; N362-R364 PolarHBondContact OD1-N 2.9Å; N362-R364 VanDerWaalsContact OD1-N 3.11Å; N362-V430 WeakPolarHBondContact O-CG1 3.43Å
363P94.6Very high90.9Very high20 Ų2045.7 Ų45.713%0.1323%0.227CC..  trans-57-26.1176.719.8-33.6000112.7F342 L344 Y361 V430 A431F342-P363 HydrophobicContact CD1-CG 3.87Å; F342-P363 VanDerWaalsContact O-CD 3.24Å; F342-P363 WeakPolarHBondContact O-CD 3.29Å; L344-P363 HydrophobicContact CB-CG 4.37Å; Y361-P363 HydrophobicContact CD2-CB 4.28Å; Y361-P363 HydrophobicContact CE2-CB 3.51Å; Y361-P363 HydrophobicContact CE2-CG 4Å; Y361-P363 WeakPolarHBondContact O-CD 3.4Å; P363-V430 CarbonylContact O-C 3.57Å; P363-V430 WeakPolarHBondContact O-CA 3.37Å; P363-A431 PolarHBondContact O-N 3.1Å
364R96.7Very high90.9Very high62 Ų6243 Ų4323%0.23422%0.215CC..  trans55.5164.6-165.4-59.3-173.6-76.1172.4-4111.3L339 H340 N362 V430 A431L339-R364 HydrophobicContact CD1-CB 3.88Å; L339-R364 HydrophobicContact CD2-CB 4.38Å; L339-R364 HydrophobicContact CG-CB 4.07Å; H340-R364 CarbonylContact O-C 3.54Å; H340-R364 WeakPolarHBondContact O-CA 3.01Å; H340-R364 VanDerWaalsContact O-CB 3.27Å; H340-R364 WeakPolarHBondContact O-CB 3.2Å; N362-R364 PolarHBondContact O-N 3.13Å; N362-R364 VanDerWaalsContact O-N 3.11Å; N362-R364 WeakPolarHBondContact OD1-CG 3.42Å; N362-R364 PolarHBondContact OD1-N 2.9Å; N362-R364 VanDerWaalsContact OD1-N 3.11Å; R364-V430 HydrophobicContact CG-CG1 4.45Å; R364-A431 HydrophobicContact CB-CB 4.33Å; R364-A431 PolarHBondContact NE-O 3.21Å; R364-A431 PolarHBondContact NH2-O 3.14Å
365Y96.6Very high90.5Very high92 Ų9247.6 Ų47.636%0.36124%0.238SC..EExtended strand (participates in β ladder)trans-155.815717669.8-79.2000111.2H340 F342 Q367H340-Y365 HydrophobicContact CB-CD1 3.97Å; H340-Y365 HydrophobicContact CB-CE1 3.52Å; H340-Y365 HydrophobicContact CB-CE2 4.14Å; H340-Y365 HydrophobicContact CB-CG 4.45Å; H340-Y365 PolarHBondContact N-O 2.04Å; H340-Y365 PolarHBondContact O-N 3.18Å; F342-Y365 HydrophobicContact CB-CD1 3.78Å; F342-Y365 HydrophobicContact CB-CE1 3.93Å; Y365-Q367 HydrophobicContact CD2-CB 4.08Å; Y365-Q367 HydrophobicContact CE2-CB 3.72Å; Y365-Q367 HydrophobicContact CE2-CG 4.45Å; Y365-Q367 VanDerWaalsContact CE2-OE1 3.24Å; Y365-Q367 PolarHBondContact OH-OE1 3.25Å
366C96.1Very high89.7Confident19 Ų1958.2 Ų58.213%0.12828%0.279CS..EExtended strand (participates in β ladder)trans-96.2131179.3-66.50000110.2V404 P405 C434C366-V404 VanDerWaalsContact SG-C 3.56Å; C366-P405 HydrophobicContact CB-CG 4.43Å; C366-P405 WeakPolarHBondContact SG-CA 3.19Å; C366-P405 VanDerWaalsContact SG-N 3.41Å; C366-C434 WeakPolarHBondContact CA-SG 3.37Å; C366-C434 HydrophobicContact CB-CB 3.8Å; C366-C434 WeakPolarHBondContact CB-SG 2.98Å; C366-C434 WeakPolarHBondContact SG-CA 3.29Å; C366-C434 WeakPolarHBondContact SG-CB 3.24Å; C366-C434 CovalentContact SG-SG 2.03Å; C366-C434 PolarHBondContact SG-SG 3.34Å
367Q95.9Very high88.9Confident102 Ų10260.9 Ų60.948%0.47731%0.309SS..EExtended strand (participates in β ladder)trans-153.6144.1177.5-178.4-175.212.100110.4K338 H340 Y365K338-Q367 PolarHBondContact N-O 2.7Å; K338-Q367 PolarHBondContact O-N 3.19Å; K338-Q367 VanDerWaalsContact O-N 3.1Å; H340-Q367 PolarHBondContact NE2-O 3.19Å; Y365-Q367 HydrophobicContact CD2-CB 4.08Å; Y365-Q367 HydrophobicContact CE2-CB 3.72Å; Y365-Q367 HydrophobicContact CE2-CG 4.45Å; Y365-Q367 VanDerWaalsContact CE2-OE1 3.24Å; Y365-Q367 PolarHBondContact OH-OE1 3.25Å
368G93.6Very high88.3Confident23 Ų2362.4 Ų62.424%0.23731%0.313CS..SBendtrans133.6177.5173.100000111.9N335 C403N335-G368 CarbonylContact O-C 3.39Å; N335-G368 WeakPolarHBondContact O-CA 3.13Å; G368-C403 VanDerWaalsContact O-CB 3.24Å; G368-C403 WeakPolarHBondContact O-CB 3.43Å
369D91.6Very high87.9Confident94 Ų9467.6 Ų67.650%0.50334%0.336SS..BIsolated β-bridgetrans-86.2136.2-176.7-54.1-45.9000110.7N335 C337N335-D369 PolarHBondContact O-N 2.81Å; C337-D369 PolarHBondContact N-O 2.87Å
370C91.6Very high88Confident24 Ų2465.9 Ų65.916%0.16233%0.333CS..PPolyproline II helixtrans-75.2128.8172.8-75.90000110.3L374 P401 C436C370-L374 HydrophobicContact CB-CD2 4.39Å; C370-P401 HydrophobicContact CB-CB 4.41Å; C370-P401 PolarHBondContact SG-O 3.27Å; C370-C436 WeakPolarHBondContact CA-SG 3.45Å; C370-C436 HydrophobicContact CB-CB 3.82Å; C370-C436 WeakPolarHBondContact CB-SG 3.47Å; C370-C436 VanDerWaalsContact SG-CA 3.56Å; C370-C436 WeakPolarHBondContact SG-CB 3.33Å; C370-C436 CovalentContact SG-SG 2.03Å; C370-C436 PolarHBondContact SG-SG 2.97Å
371P87.2Confident88.1Confident21 Ų2167 Ų6714%0.13634%0.338CS..PPolyproline II helixtrans-69.1151.9-177.128.5-33.1000110.8V373 L374 Y378P371-V373 PolarHBondContact O-N 3Å; P371-V373 VanDerWaalsContact O-N 3.17Å; P371-L374 HydrophobicContact CG-CD2 4.05Å; P371-L374 WeakPolarHBondContact O-CD2 3.3Å; P371-Y378 HydrophobicContact CG-CD2 4.33Å; P371-Y378 HydrophobicContact CG-CE2 3.66Å
372R82.6Confident88Confident139 Ų13972 Ų7253%0.52537%0.367SS..SBendtrans-56.1-31.9176.4-62.3-172.9161.6177.9-3.8114F326 T388 E392F326-R372 HydrophobicContact CE1-CB 4.04Å; R372-T388 WeakPolarHBondContact O-CG2 3.32Å; R372-E392 HydrophobicContact CB-CG 4.49Å; R372-E392 VanDerWaalsContact CD-CD 3.49Å; R372-E392 WeakPolarHBondContact CD-OE1 3.14Å; R372-E392 VanDerWaalsContact CD-OE2 3.23Å; R372-E392 WeakPolarHBondContact CD-OE2 3.09Å; R372-E392 HydrophobicContact CG-CG 4.39Å; R372-E392 WeakPolarHBondContact CG-OE1 3.13Å; R372-E392 IonicContact CZ-OE1 3.32Å; R372-E392 IonicContact CZ-OE2 3.36Å; R372-E392 VanDerWaalsContact NE-CD 3.27Å; R372-E392 IonicContact NE-OE1 2.97Å; R372-E392 PolarHBondContact NE-OE1 3.11Å; R372-E392 IonicContact NE-OE2 2.7Å; R372-E392 PolarHBondContact NE-OE2 3.31Å; R372-E392 IonicContact NH1-OE2 3.73Å; R372-E392 IonicContact NH2-OE1 2.76Å; R372-E392 IonicContact NH2-OE2 3.56Å
373V82.3Confident88Confident72 Ų7275.6 Ų75.644%0.43638%0.382SS..SBendtrans-114101.3175.2-176.40000107.5F326 P371 H375F326-V373 HydrophobicContact CD1-CG2 3.72Å; F326-V373 HydrophobicContact CE1-CG2 3.77Å; P371-V373 PolarHBondContact O-N 3Å; P371-V373 VanDerWaalsContact O-N 3.17Å; V373-H375 PolarHBondContact O-N 2.75Å; V373-H375 PolarHBondContact O-ND1 3.15Å
374L81.9Confident87.9Confident18 Ų1874.6 Ų74.69%0.09438%0.375CS..  trans-72.797.4173.1-61.8-179000108.6C370 P371 A384 I385 P401 C436C370-L374 HydrophobicContact CB-CD2 4.39Å; P371-L374 HydrophobicContact CG-CD2 4.05Å; P371-L374 WeakPolarHBondContact O-CD2 3.3Å; L374-A384 HydrophobicContact CD1-CB 3.85Å; L374-I385 HydrophobicContact CB-CG1 4.32Å; L374-I385 HydrophobicContact CD1-CG1 4.39Å; L374-P401 HydrophobicContact CD1-CG 4.44Å; L374-C436 HydrophobicContact CD1-CB 4.25Å; L374-C436 HydrophobicContact CD2-CB 3.6Å
375H75.9Confident87.7Confident127 Ų12775.2 Ų75.259%0.58838%0.382SS*.  trans-70.7155.1175.7-67.767.5000110.1V373 G377 Y378V373-H375 PolarHBondContact O-N 2.75Å; V373-H375 PolarHBondContact O-ND1 3.15Å; H375-G377 PolarHBondContact O-N 3.07Å; H375-Y378 PolarHBondContact O-N 3.11Å
376Y71.2Confident87.5Confident225 Ų22575.4 Ų75.488%0.88239%0.389SS*.G310 helixtrans-50.3-27.5177.7-69.5-74.5000114.2Y378 H379Y376-Y378 PolarHBondContact O-N 2.95Å; Y376-H379 PolarHBondContact O-N 3.25Å; Y376-H379 VanDerWaalsContact O-N 3.11Å
377G73Confident87.3Confident67 Ų6775.8 Ų75.869%0.69139%0.389SS*.G310 helixtrans-64.1-13.4175.900000115.7H375H375-G377 PolarHBondContact O-N 3.07Å
378Y80.6Confident87Confident46 Ų4671.5 Ų71.518%0.1837%0.369CS..G310 helixtrans-85.2-11173.4-82.2-86.4000113.5C337 P371 H375 Y376 S380 T435C337-Y378 HydrophobicContact CB-CE1 4.11Å; P371-Y378 HydrophobicContact CG-CD2 4.33Å; P371-Y378 HydrophobicContact CG-CE2 3.66Å; H375-Y378 PolarHBondContact O-N 3.11Å; Y376-Y378 PolarHBondContact O-N 2.95Å; Y378-S380 PolarHBondContact O-N 3.3Å; Y378-S380 VanDerWaalsContact O-N 3.1Å; Y378-T435 WeakPolarHBondContact O-CB 3.06Å; Y378-T435 PolarHBondContact O-OG1 3.33Å
379H86.4Confident86.8Confident109 Ų10974.4 Ų74.451%0.50538%0.379SS..  trans50.831.2-173.8-60.6-76.1000113.9Y376 Y406Y376-H379 PolarHBondContact O-N 3.25Å; Y376-H379 VanDerWaalsContact O-N 3.11Å; H379-Y406 HydrophobicContact CB-CD1 4.14Å; H379-Y406 HydrophobicContact CB-CE1 3.6Å; H379-Y406 HydrophobicContact CB-CE2 4.11Å; H379-Y406 AromaticContact CD2-CE1 3.78Å; H379-Y406 AromaticContact CG-CE1 3.68Å
380S90.6Very high86.8Confident20 Ų2072.5 Ų72.514%0.1437%0.368CS..  trans-71.4140.5178.8-70.20000111.1Y378 C436Y378-S380 PolarHBondContact O-N 3.3Å; Y378-S380 VanDerWaalsContact O-N 3.1Å; S380-C436 VanDerWaalsContact CB-O 3.31Å; S380-C436 WeakPolarHBondContact CB-O 3.45Å; S380-C436 PolarHBondContact OG-O 3.26Å
381P92Very high86.7Confident47 Ų4775.2 Ų75.231%0.30538%0.377SS..  trans-67.6157174.129.9-34.3000110.5H383 A384 I385 R437P381-H383 PolarHBondContact O-N 2.91Å; P381-H383 VanDerWaalsContact O-N 3.07Å; P381-A384 HydrophobicContact CG-CB 4.09Å; P381-A384 PolarHBondContact O-N 3.07Å; P381-I385 PolarHBondContact O-N 2.89Å; P381-R437 HydrophobicContact CG-CG 4.06Å
382N92.5Very high86.7Confident132 Ų13277.3 Ų77.371%0.70639%0.385SS*.Hα-helixtrans-52.5-34.4175.8-69.3-16.2000112.3A384 I385 I386N382-A384 PolarHBondContact O-N 3.14Å; N382-I385 WeakPolarHBondContact O-CB 3.27Å; N382-I385 PolarHBondContact O-N 3.08Å; N382-I386 WeakPolarHBondContact O-CG1 3.35Å; N382-I386 PolarHBondContact O-N 2.85Å
383H94.1Very high87.1Confident128 Ų12875.9 Ų75.959%0.59339%0.388SS*.Hα-helixtrans-54.6-47.9174.5-177-86.3000112.6P381 I385 I386 Q387P381-H383 PolarHBondContact O-N 2.91Å; P381-H383 VanDerWaalsContact O-N 3.07Å; H383-I385 VanDerWaalsContact C-N 3.29Å; H383-I385 PolarHBondContact O-N 2.82Å; H383-I386 PolarHBondContact O-N 3.28Å; H383-Q387 PolarHBondContact CE1-OE1 2.79Å; H383-Q387 VanDerWaalsContact O-CB 3.27Å; H383-Q387 WeakPolarHBondContact O-CB 3.41Å; H383-Q387 PolarHBondContact O-N 3.48Å
384A94.5Very high87.4Confident0 Ų075.2 Ų75.20%040%0.395CS..Hα-helixtrans-66.5-3318000000112L374 P381 N382 T388 P401L374-A384 HydrophobicContact CD1-CB 3.85Å; P381-A384 HydrophobicContact CG-CB 4.09Å; P381-A384 PolarHBondContact O-N 3.07Å; N382-A384 PolarHBondContact O-N 3.14Å; A384-T388 WeakPolarHBondContact O-CB 3.28Å; A384-T388 PolarHBondContact O-N 2.97Å; A384-T388 PolarHBondContact O-OG1 2.86Å; A384-P401 HydrophobicContact CB-CB 4.33Å; A384-P401 HydrophobicContact CB-CG 4.19Å
385I91.4Very high87.7Confident74 Ų7479 Ų7938%0.37942%0.419SS..Hα-helixtrans-64.7-50.7174.8-57.6175.7000109.8L374 P381 N382 H383 T388 L389L374-I385 HydrophobicContact CB-CG1 4.32Å; L374-I385 HydrophobicContact CD1-CG1 4.39Å; P381-I385 PolarHBondContact O-N 2.89Å; N382-I385 WeakPolarHBondContact O-CB 3.27Å; N382-I385 PolarHBondContact O-N 3.08Å; H383-I385 VanDerWaalsContact C-N 3.29Å; H383-I385 PolarHBondContact O-N 2.82Å; I385-T388 PolarHBondContact O-N 2.86Å; I385-L389 PolarHBondContact O-N 3.35Å; I385-L389 VanDerWaalsContact O-N 3.1Å
386I91.7Very high88.2Confident96 Ų9675.5 Ų75.549%0.49242%0.417SS..Hα-helixtrans-63.8-41.7178.3-63.6-61000111.2N382 H383 T388 L389 I390N382-I386 WeakPolarHBondContact O-CG1 3.35Å; N382-I386 PolarHBondContact O-N 2.85Å; H383-I386 PolarHBondContact O-N 3.28Å; I386-T388 VanDerWaalsContact C-N 3.29Å; I386-T388 PolarHBondContact O-N 3.47Å; I386-L389 WeakPolarHBondContact O-CB 3.49Å; I386-L389 PolarHBondContact O-N 2.94Å; I386-L389 VanDerWaalsContact O-N 3.11Å; I386-I390 HydrophobicContact CG2-CD1 3.84Å; I386-I390 HydrophobicContact CG2-CG1 4.27Å; I386-I390 WeakPolarHBondContact O-CG1 2.98Å; I386-I390 PolarHBondContact O-N 2.93Å
387Q92.8Very high89.2Confident28 Ų2872.3 Ų72.313%0.13142%0.415CS..Hα-helixtrans-59.1-41.4176.4-176.2176.7-19.100111.9H383 L389 I390 K391 V398 P399 P401H383-Q387 PolarHBondContact CE1-OE1 2.79Å; H383-Q387 VanDerWaalsContact O-CB 3.27Å; H383-Q387 WeakPolarHBondContact O-CB 3.41Å; H383-Q387 PolarHBondContact O-N 3.48Å; Q387-L389 VanDerWaalsContact C-N 3.34Å; Q387-I390 PolarHBondContact O-N 2.62Å; Q387-K391 WeakPolarHBondContact O-CB 3.39Å; Q387-K391 PolarHBondContact O-N 3.03Å; Q387-V398 HydrophobicContact CG-CG1 3.57Å; Q387-P399 PolarHBondContact NE2-O 2.78Å; Q387-P401 HydrophobicContact CG-CG 4.48Å
388T90.5Very high90.1Very high12 Ų1271 Ų717%0.07439%0.394CS..Hα-helixtrans-63.9-41.6175.8-53.20000111R372 A384 I385 I386 K391 E392 P401R372-T388 WeakPolarHBondContact O-CG2 3.32Å; A384-T388 WeakPolarHBondContact O-CB 3.28Å; A384-T388 PolarHBondContact O-N 2.97Å; A384-T388 PolarHBondContact O-OG1 2.86Å; I385-T388 PolarHBondContact O-N 2.86Å; I386-T388 VanDerWaalsContact C-N 3.29Å; I386-T388 PolarHBondContact O-N 3.47Å; T388-K391 PolarHBondContact O-N 2.95Å; T388-E392 HydrophobicContact CG2-CG 4.44Å; T388-E392 WeakPolarHBondContact O-CB 3.3Å; T388-E392 VanDerWaalsContact O-CG 3.31Å; T388-E392 WeakPolarHBondContact O-CG 3.44Å; T388-E392 PolarHBondContact O-N 2.77Å; T388-P401 WeakPolarHBondContact OG1-CG 3.43Å
389L89.1Confident90.8Very high83 Ų8372.8 Ų72.844%0.43541%0.411SS..Hα-helixtrans-63.1-45.8176.1-177.865.2000112I385 I386 Q387 K391 E392 L393I385-L389 PolarHBondContact O-N 3.35Å; I385-L389 VanDerWaalsContact O-N 3.1Å; I386-L389 WeakPolarHBondContact O-CB 3.49Å; I386-L389 PolarHBondContact O-N 2.94Å; I386-L389 VanDerWaalsContact O-N 3.11Å; Q387-L389 VanDerWaalsContact C-N 3.34Å; L389-K391 VanDerWaalsContact C-N 3.31Å; L389-K391 PolarHBondContact O-N 2.7Å; L389-E392 PolarHBondContact O-N 2.71Å; L389-L393 HydrophobicContact CD1-CD1 3.82Å; L389-L393 HydrophobicContact CD1-CG 4.01Å; L389-L393 HydrophobicContact CD2-CD1 4.48Å; L389-L393 HydrophobicContact CG-CD1 3.83Å; L389-L393 HydrophobicContact CG-CG 4.34Å; L389-L393 WeakPolarHBondContact O-CB 3.14Å; L389-L393 VanDerWaalsContact O-CG 3.31Å; L389-L393 WeakPolarHBondContact O-CG 3.37Å; L389-L393 PolarHBondContact O-N 3.12Å
390I91.3Very high91Very high55 Ų5571.2 Ų71.228%0.28241%0.41SS..Hα-helixtrans-57.8-46.1177.5-69.1169.2000110.5I386 Q387 L393 G394 V395 V398I386-I390 HydrophobicContact CG2-CD1 3.84Å; I386-I390 HydrophobicContact CG2-CG1 4.27Å; I386-I390 WeakPolarHBondContact O-CG1 2.98Å; I386-I390 PolarHBondContact O-N 2.93Å; Q387-I390 PolarHBondContact O-N 2.62Å; I390-L393 PolarHBondContact O-N 3.43Å; I390-G394 PolarHBondContact O-N 3.42Å; I390-G394 VanDerWaalsContact O-N 3.08Å; I390-V395 HydrophobicContact CG2-CB 4.26Å; I390-V395 WeakPolarHBondContact CG2-O 3.39Å; I390-V395 PolarHBondContact O-N 3.21Å; I390-V395 VanDerWaalsContact O-N 3.08Å; I390-V398 HydrophobicContact CG2-CB 3.97Å; I390-V398 HydrophobicContact CG2-CG1 4.47Å; I390-V398 HydrophobicContact CG2-CG2 3.68Å
391K89.5Confident91.2Very high80 Ų8070.6 Ų70.635%0.34841%0.406SS..Hα-helixtrans-62.4-46.9177.5176.946.3146.4-154.20112.1Q387 T388 L389 L393 G394 V398Q387-K391 WeakPolarHBondContact O-CB 3.39Å; Q387-K391 PolarHBondContact O-N 3.03Å; T388-K391 PolarHBondContact O-N 2.95Å; L389-K391 VanDerWaalsContact C-N 3.31Å; L389-K391 PolarHBondContact O-N 2.7Å; K391-L393 VanDerWaalsContact C-N 3.33Å; K391-L393 PolarHBondContact O-N 3.43Å; K391-G394 PolarHBondContact O-N 3.01Å; K391-G394 VanDerWaalsContact O-N 3.16Å; K391-V398 WeakPolarHBondContact CD-O 3.44Å; K391-V398 VanDerWaalsContact CE-O 3.27Å; K391-V398 WeakPolarHBondContact CE-O 3.35Å; K391-V398 PolarHBondContact NZ-O 3.25Å
392E87.7Confident91.3Very high65 Ų6572 Ų7230%0.30442%0.417SS..Hα-helixtrans-68.1-32.1-178.6-72.6-69.2140.200112.9F326 R372 T388 L389 G394F326-E392 HydrophobicContact CE2-CB 4.43Å; F326-E392 HydrophobicContact CZ-CB 4.03Å; F326-E392 HydrophobicContact CZ-CG 4.06Å; R372-E392 HydrophobicContact CB-CG 4.49Å; R372-E392 VanDerWaalsContact CD-CD 3.49Å; R372-E392 WeakPolarHBondContact CD-OE1 3.14Å; R372-E392 VanDerWaalsContact CD-OE2 3.23Å; R372-E392 WeakPolarHBondContact CD-OE2 3.09Å; R372-E392 HydrophobicContact CG-CG 4.39Å; R372-E392 WeakPolarHBondContact CG-OE1 3.13Å; R372-E392 IonicContact CZ-OE1 3.32Å; R372-E392 IonicContact CZ-OE2 3.36Å; R372-E392 VanDerWaalsContact NE-CD 3.27Å; R372-E392 IonicContact NE-OE1 2.97Å; R372-E392 PolarHBondContact NE-OE1 3.11Å; R372-E392 IonicContact NE-OE2 2.7Å; R372-E392 PolarHBondContact NE-OE2 3.31Å; R372-E392 IonicContact NH1-OE2 3.73Å; R372-E392 IonicContact NH2-OE1 2.76Å; R372-E392 IonicContact NH2-OE2 3.56Å; T388-E392 HydrophobicContact CG2-CG 4.44Å; T388-E392 WeakPolarHBondContact O-CB 3.3Å; T388-E392 VanDerWaalsContact O-CG 3.31Å; T388-E392 WeakPolarHBondContact O-CG 3.44Å; T388-E392 PolarHBondContact O-N 2.77Å; L389-E392 PolarHBondContact O-N 2.71Å; E392-G394 VanDerWaalsContact C-N 3.31Å
393L90.1Very high91.5Very high110 Ų11066.8 Ų66.858%0.57639%0.39SS*.Hα-helixtrans-81.1-8.6174-65.2176.9000113.3L389 I390 K391 V395L389-L393 HydrophobicContact CD1-CD1 3.82Å; L389-L393 HydrophobicContact CD1-CG 4.01Å; L389-L393 HydrophobicContact CD2-CD1 4.48Å; L389-L393 HydrophobicContact CG-CD1 3.83Å; L389-L393 HydrophobicContact CG-CG 4.34Å; L389-L393 WeakPolarHBondContact O-CB 3.14Å; L389-L393 VanDerWaalsContact O-CG 3.31Å; L389-L393 WeakPolarHBondContact O-CG 3.37Å; L389-L393 PolarHBondContact O-N 3.12Å; I390-L393 PolarHBondContact O-N 3.43Å; K391-L393 VanDerWaalsContact C-N 3.33Å; K391-L393 PolarHBondContact O-N 3.43Å; L393-V395 HydrophobicContact CB-CG2 3.72Å; L393-V395 PolarHBondContact O-N 3.13Å
394G88.5Confident91.6Very high57 Ų5763 Ų6359%0.58838%0.376SS*.THydrogen-bonded Turntrans65.724.6-177.100000113.7I390 K391 E392 G396I390-G394 PolarHBondContact O-N 3.42Å; I390-G394 VanDerWaalsContact O-N 3.08Å; K391-G394 PolarHBondContact O-N 3.01Å; K391-G394 VanDerWaalsContact O-N 3.16Å; E392-G394 VanDerWaalsContact C-N 3.31Å; G394-G396 PolarHBondContact O-N 2.9Å
395V88.6Confident91.7Very high98 Ų9864.8 Ų64.859%0.59439%0.388SS*.  trans-80.976.1-179-1770000108.5I390 L393I390-V395 HydrophobicContact CG2-CB 4.26Å; I390-V395 WeakPolarHBondContact CG2-O 3.39Å; I390-V395 PolarHBondContact O-N 3.21Å; I390-V395 VanDerWaalsContact O-N 3.08Å; L393-V395 HydrophobicContact CB-CG2 3.72Å; L393-V395 PolarHBondContact O-N 3.13Å
396G85.8Confident91.8Very high54 Ų5465 Ų6556%0.55738%0.384SS*.SBendtrans90.7172.9-177.200000114.3G394 V398G394-G396 PolarHBondContact O-N 2.9Å; G396-V398 PolarHBondContact O-N 3.1Å; G396-V398 VanDerWaalsContact O-N 3.14Å
397D92.1Very high92Very high157 Ų15765.4 Ų65.484%0.8438%0.383SS*.SBendtrans-88.974.2-177.5-16923.3000111.6
398V93.1Very high92.1Very high41 Ų4168.9 Ų68.925%0.24840%0.395CS..  trans-104131.2178.4178.10000109.9Q387 I390 K391 G396Q387-V398 HydrophobicContact CG-CG1 3.57Å; I390-V398 HydrophobicContact CG2-CB 3.97Å; I390-V398 HydrophobicContact CG2-CG1 4.47Å; I390-V398 HydrophobicContact CG2-CG2 3.68Å; K391-V398 WeakPolarHBondContact CD-O 3.44Å; K391-V398 VanDerWaalsContact CE-O 3.27Å; K391-V398 WeakPolarHBondContact CE-O 3.35Å; K391-V398 PolarHBondContact NZ-O 3.25Å; G396-V398 PolarHBondContact O-N 3.1Å; G396-V398 VanDerWaalsContact O-N 3.14Å
399P93.7Very high92.3Very high82 Ų8269.5 Ų69.553%0.53240%0.398SS..PPolyproline II helixtrans-75.2157.5175.430.4-34.6000111.7Q387Q387-P399 PolarHBondContact NE2-O 2.78Å
400P91.5Very high92.5Very high76 Ų7666.8 Ų66.849%0.49439%0.385SS..PPolyproline II helixtrans-64.1156.7170.630.3-35.3000111.2
401P94.1Very high92.6Very high8 Ų864.3 Ų64.35%0.05237%0.372CS..PPolyproline II helixtrans-57.8152.8170.9-23.233.9000112.3C370 L374 A384 Q387 T388 C436C370-P401 HydrophobicContact CB-CB 4.41Å; C370-P401 PolarHBondContact SG-O 3.27Å; L374-P401 HydrophobicContact CD1-CG 4.44Å; A384-P401 HydrophobicContact CB-CB 4.33Å; A384-P401 HydrophobicContact CB-CG 4.19Å; Q387-P401 HydrophobicContact CG-CG 4.48Å; T388-P401 WeakPolarHBondContact OG1-CG 3.43Å; P401-C436 HydrophobicContact CB-CB 4.25Å
402S95.4Very high92.9Very high76 Ų7660.5 Ų60.553%0.53136%0.356SS..PPolyproline II helixtrans-94.2144.6-179.5-67.50000111.9V404 C436 R437S402-V404 PolarHBondContact O-N 2.99Å; S402-C436 WeakPolarHBondContact O-CA 2.97Å; S402-R437 PolarHBondContact N-O 3.16Å; S402-R437 PolarHBondContact O-N 3.38Å
403C95.7Very high93.2Very high22 Ų2257.4 Ų57.415%0.14934%0.341CS..EExtended strand (participates in β ladder)trans-80.1108172.7-175.30000110.2C337 G368 T435C337-C403 WeakPolarHBondContact CA-SG 3.24Å; C337-C403 HydrophobicContact CB-CB 3.61Å; C337-C403 WeakPolarHBondContact CB-SG 3.5Å; C337-C403 VanDerWaalsContact SG-CA 3.58Å; C337-C403 WeakPolarHBondContact SG-CB 3.49Å; C337-C403 CovalentContact SG-SG 2.03Å; C337-C403 PolarHBondContact SG-SG 2.84Å; G368-C403 VanDerWaalsContact O-CB 3.24Å; G368-C403 WeakPolarHBondContact O-CB 3.43Å; C403-T435 WeakPolarHBondContact CA-O 3.18Å
404V96.7Very high93.4Very high48 Ų4852.1 Ų52.129%0.29131%0.314SS..EExtended strand (participates in β ladder)trans-130.2159.6-173.4-61.10000111.2C366 S402 C434 T435 R437C366-V404 VanDerWaalsContact SG-C 3.56Å; S402-V404 PolarHBondContact O-N 2.99Å; V404-C434 CarbonylContact O-C 3.57Å; V404-C434 VanDerWaalsContact O-CA 3.31Å; V404-C434 WeakPolarHBondContact O-CA 3.3Å; V404-T435 HydrophobicContact CG2-CG2 3.88Å; V404-T435 PolarHBondContact N-O 2.68Å; V404-T435 PolarHBondContact O-N 2.97Å; V404-R437 HydrophobicContact CG2-CB 3.89Å; V404-R437 HydrophobicContact CG2-CG 4.35Å
405P96.1Very high93.5Very high38 Ų3849.6 Ų49.625%0.24729%0.287CS..EExtended strand (participates in β ladder)trans-61.6144.5172.8-19.331.6000112C366 Y408 A431 S433C366-P405 HydrophobicContact CB-CG 4.43Å; C366-P405 WeakPolarHBondContact SG-CA 3.19Å; C366-P405 VanDerWaalsContact SG-N 3.41Å; P405-Y408 HydrophobicContact CB-CD1 4.4Å; P405-Y408 HydrophobicContact CB-CE1 3.61Å; P405-Y408 HydrophobicContact CB-CE2 4.13Å; P405-Y408 VanDerWaalsContact CB-CZ 3.46Å; P405-Y408 WeakPolarHBondContact CB-OH 3.29Å; P405-Y408 HydrophobicContact CG-CE1 3.97Å; P405-A431 HydrophobicContact CB-CB 4.05Å; P405-A431 HydrophobicContact CG-CB 4.14Å; P405-S433 CarbonylContact C-O 3.5Å; P405-S433 WeakPolarHBondContact CA-O 3.25Å
406Y94.3Very high93.3Very high78 Ų7846.6 Ų46.631%0.30627%0.269SS..EExtended strand (participates in β ladder)trans-109-41.8178.1178.4-128.7000112.5H379 S433 T435H379-Y406 HydrophobicContact CB-CD1 4.14Å; H379-Y406 HydrophobicContact CB-CE1 3.6Å; H379-Y406 HydrophobicContact CB-CE2 4.11Å; H379-Y406 AromaticContact CD2-CE1 3.78Å; H379-Y406 AromaticContact CG-CE1 3.68Å; Y406-S433 PolarHBondContact N-O 3.32Å; Y406-T435 HydrophobicContact CD2-CG2 4.1Å; Y406-T435 HydrophobicContact CG-CG2 4.22Å
407K94.8Very high92.8Very high106 Ų10647.6 Ų47.646%0.46126%0.256SS..EExtended strand (participates in β ladder)trans-128.8153175.9-63.7-179.8177.7-175.70109.1E432 S433K407-E432 HydrophobicContact CB-CB 4.06Å; K407-E432 WeakPolarHBondContact O-CB 3.41Å; K407-E432 PolarHBondContact O-N 3.11Å; K407-S433 PolarHBondContact N-OG 3.09Å; K407-S433 PolarHBondContact O-N 3.48Å
408Y95.1Very high91.9Very high100 Ų10047.8 Ų47.839%0.39225%0.249SC..EExtended strand (participates in β ladder)trans-128.2161.9176.4-56.7-96.4000110.3P405 D428 V430P405-Y408 HydrophobicContact CB-CD1 4.4Å; P405-Y408 HydrophobicContact CB-CE1 3.61Å; P405-Y408 HydrophobicContact CB-CE2 4.13Å; P405-Y408 VanDerWaalsContact CB-CZ 3.46Å; P405-Y408 WeakPolarHBondContact CB-OH 3.29Å; P405-Y408 HydrophobicContact CG-CE1 3.97Å; Y408-D428 WeakPolarHBondContact CB-OD1 3.37Å; Y408-D428 HydrophobicContact CD1-CB 4.37Å; Y408-D428 HydrophobicContact CD2-CB 4.42Å; Y408-D428 HydrophobicContact CG-CB 4.09Å; Y408-V430 CarbonylContact C-O 3.58Å; Y408-V430 VanDerWaalsContact CA-O 3.22Å; Y408-V430 WeakPolarHBondContact CA-O 3.45Å
409M94.4Very high91Very high25 Ų2554.5 Ų54.512%0.12328%0.275CS..EExtended strand (participates in β ladder)trans-118.1147.6169.2-59.8-174.3-46.800109.7R84 M429 V430 E432R84-M409 PolarHBondContact NH2-SD 3.46Å; M409-M429 PolarHBondContact O-N 3.38Å; M409-V430 HydrophobicContact CB-CB 4.41Å; M409-V430 HydrophobicContact CE-CB 4.4Å; M409-V430 HydrophobicContact CE-CG1 3.98Å; M409-V430 PolarHBondContact N-O 3.27Å; M409-V430 PolarHBondContact O-N 2.84Å; M409-V430 VanDerWaalsContact O-N 3.08Å; M409-E432 HydrophobicContact CG-CB 4.01Å; M409-E432 HydrophobicContact CG-CG 3.94Å; M409-E432 HydrophobicContact SD-CG 4.11Å
410P94.1Very high90.4Very high27 Ų2754 Ų5418%0.17527%0.265CS..EExtended strand (participates in β ladder)trans-70165.8173.726.5-32.4000112.5P85 E425 L426P85-P410 VanDerWaalsContact CD-O 3.28Å; P85-P410 WeakPolarHBondContact CD-O 2.93Å; P85-P410 HydrophobicContact CG-CB 4.36Å; P85-P410 HydrophobicContact CG-CG 4.14Å; P410-E425 HydrophobicContact CB-CG 3.93Å; P410-L426 CarbonylContact C-O 3.55Å; P410-L426 WeakPolarHBondContact CA-O 3.32Å; P410-L426 WeakPolarHBondContact CB-O 3.38Å
411M93.9Very high90.3Very high2 Ų250.8 Ų50.81%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-133128.4172.9-174.717675.100110.8G83 F346 P358 Y361 V413 L426 M429G83-M411 CarbonylContact O-C 3.59Å; G83-M411 WeakPolarHBondContact O-CA 3.02Å; G83-M411 WeakPolarHBondContact O-CG 3.49Å; F346-M411 HydrophobicContact CE2-CE 4.49Å; F346-M411 HydrophobicContact CZ-CE 3.71Å; P358-M411 HydrophobicContact CG-SD 4.13Å; Y361-M411 HydrophobicContact CD1-SD 4.28Å; Y361-M411 HydrophobicContact CD2-CE 4.37Å; Y361-M411 HydrophobicContact CD2-SD 3.49Å; Y361-M411 WeakPolarHBondContact CD2-SD 3.33Å; Y361-M411 HydrophobicContact CE2-SD 4.12Å; Y361-M411 HydrophobicContact CG-CE 4.41Å; Y361-M411 HydrophobicContact CG-SD 3.59Å; Y361-M411 VanDerWaalsContact CG-SD 3.59Å; M411-V413 HydrophobicContact CE-CG1 3.4Å; M411-V413 HydrophobicContact CG-CG1 4.21Å; M411-V413 HydrophobicContact SD-CG1 4.49Å; M411-L426 PolarHBondContact N-O 3.14Å; M411-L426 PolarHBondContact O-N 2.9Å; M411-M429 HydrophobicContact CB-CB 3.61Å; M411-M429 HydrophobicContact CB-CG 3.97Å; M411-M429 HydrophobicContact CE-CE 3.49Å; M411-M429 VanDerWaalsContact CE-CE 3.49Å; M411-M429 HydrophobicContact CE-CG 4.41Å
412S95.6Very high90.1Very high0 Ų051 Ų510%024%0.244CC..EExtended strand (participates in β ladder)trans-79.3131.2169.6-62.10000110.6Y75 A79 G83 P85 P358 Y423 R424Y75-S412 WeakPolarHBondContact CE2-O 3.42Å; Y75-S412 PolarHBondContact OH-O 2.91Å; A79-S412 VanDerWaalsContact CB-CB 3.44Å; G83-S412 WeakPolarHBondContact CA-O 3.47Å; G83-S412 PolarHBondContact O-N 2.9Å; P85-S412 WeakPolarHBondContact CG-OG 3.03Å; P358-S412 WeakPolarHBondContact CD-O 3.42Å; S412-Y423 PolarHBondContact OG-OH 2.85Å; S412-R424 CarbonylContact C-O 3.44Å; S412-R424 WeakPolarHBondContact CA-O 3.37Å
413V94Very high90.1Very high0 Ų047.4 Ų47.40%022%0.219CC..EExtended strand (participates in β ladder)trans-129.3147.8178-56.10000110.9F355 A357 M411 V415 Y423 R424 L426F355-V413 HydrophobicContact CD1-CB 4.17Å; F355-V413 HydrophobicContact CD1-CG1 4.24Å; F355-V413 HydrophobicContact CE1-CB 4.09Å; F355-V413 HydrophobicContact CE1-CG1 3.93Å; F355-V413 HydrophobicContact CE1-CG2 4.42Å; A357-V413 CarbonylContact O-C 3.45Å; A357-V413 WeakPolarHBondContact O-CA 3.28Å; M411-V413 HydrophobicContact CE-CG1 3.4Å; M411-V413 HydrophobicContact CG-CG1 4.21Å; M411-V413 HydrophobicContact SD-CG1 4.49Å; V413-V415 HydrophobicContact CB-CG1 4.11Å; V413-V415 HydrophobicContact CG2-CG1 3.79Å; V413-Y423 CarbonylContact O-C 3.52Å; V413-Y423 VanDerWaalsContact O-CA 3.3Å; V413-Y423 WeakPolarHBondContact O-CA 3.41Å; V413-R424 HydrophobicContact CG2-CB 3.87Å; V413-R424 PolarHBondContact N-O 2.91Å; V413-R424 PolarHBondContact O-N 2.86Å; V413-L426 HydrophobicContact CB-CD1 4.36Å; V413-L426 HydrophobicContact CG1-CD1 3.71Å; V413-L426 HydrophobicContact CG1-CG 4.43Å; V413-L426 HydrophobicContact CG2-CD1 3.67Å; V413-L426 HydrophobicContact CG2-CG 3.96Å
414L94.6Very high89.9Confident0 Ų047.6 Ų47.60%022%0.217CC..EExtended strand (participates in β ladder)trans-115.3115.8167.6-173.870.2000107.7M71 L72 Y75 I356 A357 V421 D422M71-L414 HydrophobicContact CB-CD1 4.02Å; M71-L414 HydrophobicContact CB-CD2 4.49Å; M71-L414 HydrophobicContact CE-CD1 3.99Å; L72-L414 HydrophobicContact CD2-CD2 3.67Å; L72-L414 HydrophobicContact CG-CD2 3.93Å; Y75-L414 HydrophobicContact CD2-CB 3.79Å; Y75-L414 HydrophobicContact CE2-CB 4.36Å; Y75-L414 HydrophobicContact CG-CB 4.2Å; I356-L414 WeakPolarHBondContact CA-O 3.26Å; I356-L414 HydrophobicContact CB-CB 4.42Å; I356-L414 HydrophobicContact CB-CD2 4.16Å; I356-L414 HydrophobicContact CB-CG 4.22Å; I356-L414 WeakPolarHBondContact CB-O 3.07Å; I356-L414 HydrophobicContact CD1-CD2 4.42Å; I356-L414 HydrophobicContact CD1-CG 4.27Å; I356-L414 HydrophobicContact CG2-CD2 3.85Å; I356-L414 HydrophobicContact CG2-CG 4.45Å; I356-L414 PolarHBondContact N-O 2.87Å; A357-L414 HydrophobicContact CB-CB 4.2Å; A357-L414 PolarHBondContact N-O 2.89Å; A357-L414 PolarHBondContact O-N 2.71Å; L414-V421 HydrophobicContact CD1-CG1 3.79Å; L414-V421 HydrophobicContact CG-CG1 4.22Å; L414-D422 WeakPolarHBondContact CA-O 3.39Å
415V90.3Very high89.7Confident3 Ų345.7 Ų45.72%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-123.7150.5-169.8-64.10000111.1L264 Y354 F355 V413 V421 D422L264-V415 HydrophobicContact CD1-CB 4.05Å; L264-V415 HydrophobicContact CD1-CG1 3.98Å; L264-V415 HydrophobicContact CD1-CG2 3.84Å; L264-V415 HydrophobicContact CD2-CG1 4.36Å; Y354-V415 CarbonylContact O-C 3.53Å; Y354-V415 WeakPolarHBondContact O-CA 3.21Å; F355-V415 HydrophobicContact CD1-CG1 3.75Å; F355-V415 HydrophobicContact CE1-CG1 3.87Å; F355-V415 HydrophobicContact CG-CG1 4.38Å; V413-V415 HydrophobicContact CB-CG1 4.11Å; V413-V415 HydrophobicContact CG2-CG1 3.79Å; V415-V421 WeakPolarHBondContact O-CA 3.43Å; V415-D422 HydrophobicContact CG2-CB 3.94Å; V415-D422 WeakPolarHBondContact CG2-O 3.34Å; V415-D422 PolarHBondContact N-O 2.82Å; V415-D422 PolarHBondContact O-N 3.48Å
416V84.8Confident89.4Confident36 Ų3644.7 Ų44.722%0.21820%0.197CC..EExtended strand (participates in β ladder)trans-118.2124.7172.260.70000110H353 Y354 I356 K420 V421H353-V416 VanDerWaalsContact O-CG1 3.3Å; H353-V416 WeakPolarHBondContact O-CG1 3.46Å; Y354-V416 PolarHBondContact O-N 2.74Å; I356-V416 HydrophobicContact CD1-CB 3.84Å; I356-V416 HydrophobicContact CD1-CG1 4.16Å; I356-V416 HydrophobicContact CG1-CB 4.41Å; I356-V416 HydrophobicContact CG1-CG1 4.18Å; V416-K420 VanDerWaalsContact CA-O 3.31Å; V416-K420 WeakPolarHBondContact CA-O 3.44Å; V416-V421 HydrophobicContact CG2-CG2 4.33Å
417Y74.8Confident89.2Confident75 Ų7545 Ų4529%0.29420%0.201SC..EExtended strand (participates in β ladder)trans-143.7130.3177.7-177.9-101.1000110.3D263 Y354 K419 K420D263-Y417 VanDerWaalsContact O-CE2 3.3Å; D263-Y417 WeakPolarHBondContact O-CE2 3.42Å; Y354-Y417 HydrophobicContact CD1-CD2 4.31Å; Y354-Y417 AromaticContact CE1-CD2 3.99Å; Y354-Y417 HydrophobicContact CE1-CD2 3.99Å; Y354-Y417 HydrophobicContact CE1-CE2 4.49Å; Y417-K419 PolarHBondContact O-N 3.45Å; Y417-K419 VanDerWaalsContact O-N 3.13Å; Y417-K420 PolarHBondContact N-O 3.08Å; Y417-K420 WeakPolarHBondContact O-CB 3.46Å; Y417-K420 PolarHBondContact O-N 2.89Å
418K73.7Confident89Confident160 Ų16044.3 Ų44.370%0.69620%0.203SC*.THydrogen-bonded Turntrans4742.4-177.2-66.8177.6178.6159.80113.4K420K418-K420 PolarHBondContact O-N 2.82Å
419K72.9Confident88.8Confident182 Ų18241.1 Ų41.179%0.79119%0.192SC*.THydrogen-bonded Turntrans64.97-176.7-50.4-179.1179.2-178.90115.8R100 Y417R100-K419 PolarHBondContact NH1-O 3.39Å; Y417-K419 PolarHBondContact O-N 3.45Å; Y417-K419 VanDerWaalsContact O-N 3.13Å
420K81.1Confident88.9Confident72 Ų7240.6 Ų40.631%0.31319%0.19SC..EExtended strand (participates in β ladder)trans-92.1144169.2-58.6-174.8179.3-1740109.5L99 V416 Y417 K418L99-K420 HydrophobicContact CD2-CD 4.36Å; V416-K420 VanDerWaalsContact CA-O 3.31Å; V416-K420 WeakPolarHBondContact CA-O 3.44Å; Y417-K420 PolarHBondContact N-O 3.08Å; Y417-K420 WeakPolarHBondContact O-CB 3.46Å; Y417-K420 PolarHBondContact O-N 2.89Å; K418-K420 PolarHBondContact O-N 2.82Å
421V89.2Confident89Confident8 Ų839.6 Ų39.65%0.04818%0.184CC..EExtended strand (participates in β ladder)trans-116.6121178.5-179.90000108L68 M71 L98 I356 L414 V415 V416L68-V421 HydrophobicContact CD1-CG1 4.19Å; L68-V421 HydrophobicContact CD1-CG2 4.41Å; M71-V421 HydrophobicContact CB-CG1 3.95Å; M71-V421 HydrophobicContact CE-CG1 4.4Å; M71-V421 HydrophobicContact CG-CB 4.49Å; M71-V421 HydrophobicContact CG-CG1 4Å; L98-V421 PolarHBondContact N-O 3.1Å; L98-V421 VanDerWaalsContact N-O 3.14Å; I356-V421 HydrophobicContact CD1-CG1 4.12Å; L414-V421 HydrophobicContact CD1-CG1 3.79Å; L414-V421 HydrophobicContact CG-CG1 4.22Å; V415-V421 WeakPolarHBondContact O-CA 3.43Å; V416-V421 HydrophobicContact CG2-CG2 4.33Å
422D90.8Very high89.1Confident13 Ų1343.6 Ų43.67%0.0720%0.203CC..EExtended strand (participates in β ladder)trans-123.9133-175.6-67.48.5000109.7V96 R97 L414 V415 R424V96-D422 CarbonylContact O-C 3.53Å; V96-D422 WeakPolarHBondContact O-CA 3.14Å; R97-D422 VanDerWaalsContact CG-OD1 3.27Å; R97-D422 WeakPolarHBondContact CG-OD1 3.02Å; R97-D422 IonicContact CZ-OD2 3.51Å; R97-D422 IonicContact NE-OD1 3.74Å; R97-D422 PolarHBondContact NE-OD1 3.02Å; R97-D422 IonicContact NE-OD2 3.54Å; R97-D422 PolarHBondContact NE-OD2 3.37Å; R97-D422 IonicContact NH2-OD2 3.5Å; R97-D422 PolarHBondContact NH2-OD2 3.31Å; L414-D422 WeakPolarHBondContact CA-O 3.39Å; V415-D422 HydrophobicContact CG2-CB 3.94Å; V415-D422 WeakPolarHBondContact CG2-O 3.34Å; V415-D422 PolarHBondContact N-O 2.82Å; V415-D422 PolarHBondContact O-N 3.48Å; D422-R424 HydrophobicContact CB-CG 4.31Å; D422-R424 IonicContact OD2-CZ 3.51Å; D422-R424 IonicContact OD2-NE 3.67Å; D422-R424 IonicContact OD2-NH2 3.54Å; D422-R424 PolarHBondContact OD2-NH2 2.76Å
423Y94.7Very high89Confident1 Ų145.2 Ų45.20%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-87.3137.1158.2166.5-80.4000108.6Y75 A78 F91 T95 V96 S412 V413Y75-Y423 AromaticContact CD2-CD2 3.92Å; Y75-Y423 HydrophobicContact CD2-CD2 3.92Å; Y75-Y423 HydrophobicContact CD2-CE2 4.11Å; A78-Y423 HydrophobicContact CB-CE2 3.91Å; F91-Y423 HydrophobicContact CD2-CD1 4.26Å; F91-Y423 AromaticContact CD2-CE1 4Å; F91-Y423 HydrophobicContact CD2-CE1 4Å; F91-Y423 HydrophobicContact CE2-CD1 4.13Å; F91-Y423 AromaticContact CE2-CE1 3.95Å; F91-Y423 HydrophobicContact CE2-CE1 3.95Å; F91-Y423 HydrophobicContact CE2-CE2 4.38Å; F91-Y423 HydrophobicContact CE2-CG 4.47Å; T95-Y423 CarbonylContact C-O 3.54Å; T95-Y423 WeakPolarHBondContact CA-O 3.27Å; V96-Y423 HydrophobicContact CB-CD1 4.28Å; V96-Y423 HydrophobicContact CG2-CD1 3.99Å; V96-Y423 PolarHBondContact N-O 2.86Å; V96-Y423 PolarHBondContact O-N 3.16Å; S412-Y423 PolarHBondContact OG-OH 2.85Å; V413-Y423 CarbonylContact O-C 3.52Å; V413-Y423 VanDerWaalsContact O-CA 3.3Å; V413-Y423 WeakPolarHBondContact O-CA 3.41Å
424R92.3Very high89.1Confident26 Ų2646.3 Ų46.310%0.09822%0.222CC..EExtended strand (participates in β ladder)trans-141141178.1-62.3176.8179-110.8-0.3111.1N94 T95 E253 S412 V413 D422 L426N94-R424 CarbonylContact O-C 3.56Å; N94-R424 VanDerWaalsContact O-CA 3.29Å; N94-R424 WeakPolarHBondContact O-CA 3.09Å; T95-R424 HydrophobicContact CG2-CG 4.22Å; E253-R424 IonicContact OE1-CZ 2.76Å; E253-R424 IonicContact OE1-NH1 2.78Å; E253-R424 PolarHBondContact OE1-NH1 2.95Å; E253-R424 IonicContact OE1-NH2 2.76Å; E253-R424 IonicContact OE2-CZ 3.7Å; E253-R424 IonicContact OE2-NH1 2.68Å; E253-R424 PolarHBondContact OE2-NH1 2.92Å; E253-R424 IonicContact OE2-NH2 3.72Å; S412-R424 CarbonylContact C-O 3.44Å; S412-R424 WeakPolarHBondContact CA-O 3.37Å; V413-R424 HydrophobicContact CG2-CB 3.87Å; V413-R424 PolarHBondContact N-O 2.91Å; V413-R424 PolarHBondContact O-N 2.86Å; D422-R424 HydrophobicContact CB-CG 4.31Å; D422-R424 IonicContact OD2-CZ 3.51Å; D422-R424 IonicContact OD2-NE 3.67Å; D422-R424 IonicContact OD2-NH2 3.54Å; D422-R424 PolarHBondContact OD2-NH2 2.76Å; R424-L426 HydrophobicContact CB-CD2 4.12Å
425E92.5Very high89.1Confident8 Ų846.3 Ų46.34%0.03722%0.222CC..EExtended strand (participates in β ladder)trans-99.6112.4166.4-169.2169.8153.500108.6P85 H88 R89 N94 P410P85-E425 HydrophobicContact CG-CG 4.34Å; H88-E425 IonicContact CE1-OE1 2.95Å; H88-E425 IonicContact CG-OE1 3.61Å; H88-E425 IonicContact ND1-OE1 3.5Å; H88-E425 PolarHBondContact ND1-OE1 3.42Å; R89-E425 PolarHBondContact N-OE2 2.82Å; N94-E425 HydrophobicContact CB-CB 4.45Å; N94-E425 PolarHBondContact O-N 3.1Å; P410-E425 HydrophobicContact CB-CG 3.93Å
426L89.9Confident89.4Confident16 Ų1646.2 Ų46.28%0.08422%0.221CC..EExtended strand (participates in β ladder)trans-101119.8-175.5-55.9175.2000109.7W260 P410 M411 V413 R424 M429W260-L426 HydrophobicContact CD2-CD1 4.47Å; W260-L426 HydrophobicContact CD2-CD2 4.11Å; W260-L426 HydrophobicContact CG-CD2 4.31Å; W260-L426 HydrophobicContact CH2-CD1 3.54Å; W260-L426 HydrophobicContact CZ2-CD1 3.07Å; W260-L426 HydrophobicContact CZ2-CD2 4.02Å; W260-L426 HydrophobicContact CZ2-CG 4.15Å; W260-L426 HydrophobicContact CZ3-CD1 4.38Å; W260-L426 VanDerWaalsContact NE1-CD2 3.33Å; P410-L426 CarbonylContact C-O 3.55Å; P410-L426 WeakPolarHBondContact CA-O 3.32Å; P410-L426 WeakPolarHBondContact CB-O 3.38Å; M411-L426 PolarHBondContact N-O 3.14Å; M411-L426 PolarHBondContact O-N 2.9Å; V413-L426 HydrophobicContact CB-CD1 4.36Å; V413-L426 HydrophobicContact CG1-CD1 3.71Å; V413-L426 HydrophobicContact CG1-CG 4.43Å; V413-L426 HydrophobicContact CG2-CD1 3.67Å; V413-L426 HydrophobicContact CG2-CG 3.96Å; R424-L426 HydrophobicContact CB-CD2 4.12Å; L426-M429 HydrophobicContact CB-CG 3.55Å; L426-M429 HydrophobicContact CB-SD 4.3Å; L426-M429 HydrophobicContact CD1-CE 4.44Å; L426-M429 HydrophobicContact CD1-CG 4.35Å; L426-M429 HydrophobicContact CD1-SD 4.37Å; L426-M429 WeakPolarHBondContact O-CG 3.43Å
427E89.9Confident89.8Confident84 Ų8451.1 Ų51.139%0.39324%0.236SC..EExtended strand (participates in β ladder)trans-71.2160.2177.1-58.3-63166.700111.5H88 R89 M429H88-E427 IonicContact CE1-OE1 3.62Å; R89-E427 IonicContact NH2-OE1 3.58Å; E427-M429 PolarHBondContact O-N 3.1Å
428D90.4Very high90.6Very high92 Ų9250 Ų5049%0.49223%0.233SC..EExtended strand (participates in β ladder)trans58.619.7172.9-58.4-35.5000117.4Y408Y408-D428 WeakPolarHBondContact CB-OD1 3.37Å; Y408-D428 HydrophobicContact CD1-CB 4.37Å; Y408-D428 HydrophobicContact CD2-CB 4.42Å; Y408-D428 HydrophobicContact CG-CB 4.09Å
429M92Very high91.4Very high33 Ų3344.2 Ų44.216%0.16321%0.208CC..EExtended strand (participates in β ladder)trans-80-24.8-175.8-71.5-60.4-69.900115W260 Y361 M409 M411 L426 E427W260-M429 HydrophobicContact CH2-CE 4.13Å; W260-M429 HydrophobicContact CH2-SD 4.3Å; W260-M429 HydrophobicContact CZ3-CE 4.46Å; W260-M429 HydrophobicContact CZ3-SD 4.18Å; Y361-M429 HydrophobicContact CE2-CE 4.38Å; M409-M429 PolarHBondContact O-N 3.38Å; M411-M429 HydrophobicContact CB-CB 3.61Å; M411-M429 HydrophobicContact CB-CG 3.97Å; M411-M429 HydrophobicContact CE-CE 3.49Å; M411-M429 VanDerWaalsContact CE-CE 3.49Å; M411-M429 HydrophobicContact CE-CG 4.41Å; L426-M429 HydrophobicContact CB-CG 3.55Å; L426-M429 HydrophobicContact CB-SD 4.3Å; L426-M429 HydrophobicContact CD1-CE 4.44Å; L426-M429 HydrophobicContact CD1-CG 4.35Å; L426-M429 HydrophobicContact CD1-SD 4.37Å; L426-M429 WeakPolarHBondContact O-CG 3.43Å; E427-M429 PolarHBondContact O-N 3.1Å
430V94.9Very high92.5Very high15 Ų1536.5 Ų36.59%0.09118%0.176CC..EExtended strand (participates in β ladder)trans-129.8118-176.5-1800000111.1Y361 N362 P363 R364 Y408 M409 E432Y361-V430 HydrophobicContact CD2-CG2 4.23Å; N362-V430 WeakPolarHBondContact O-CG1 3.43Å; P363-V430 CarbonylContact O-C 3.57Å; P363-V430 WeakPolarHBondContact O-CA 3.37Å; R364-V430 HydrophobicContact CG-CG1 4.45Å; Y408-V430 CarbonylContact C-O 3.58Å; Y408-V430 VanDerWaalsContact CA-O 3.22Å; Y408-V430 WeakPolarHBondContact CA-O 3.45Å; M409-V430 HydrophobicContact CB-CB 4.41Å; M409-V430 HydrophobicContact CE-CB 4.4Å; M409-V430 HydrophobicContact CE-CG1 3.98Å; M409-V430 PolarHBondContact N-O 3.27Å; M409-V430 PolarHBondContact O-N 2.84Å; M409-V430 VanDerWaalsContact O-N 3.08Å; V430-E432 PolarHBondContact O-N 3.08Å
431A96.7Very high93.1Very high6 Ų634.4 Ų34.45%0.0517%0.168CC..EExtended strand (participates in β ladder)trans-63124.1175.400000110.8L339 P363 R364 P405L339-A431 HydrophobicContact CD1-CB 3.76Å; P363-A431 PolarHBondContact O-N 3.1Å; R364-A431 HydrophobicContact CB-CB 4.33Å; R364-A431 PolarHBondContact NE-O 3.21Å; R364-A431 PolarHBondContact NH2-O 3.14Å; P405-A431 HydrophobicContact CB-CB 4.05Å; P405-A431 HydrophobicContact CG-CB 4.14Å
432E95.5Very high93.4Very high85 Ų8536.1 Ų36.140%0.39718%0.175SC..EExtended strand (participates in β ladder)trans-96-38-177.5-164-169.6-166.500113L339 K407 M409 V430L339-E432 WeakPolarHBondContact CD2-O 3.41Å; K407-E432 HydrophobicContact CB-CB 4.06Å; K407-E432 WeakPolarHBondContact O-CB 3.41Å; K407-E432 PolarHBondContact O-N 3.11Å; M409-E432 HydrophobicContact CG-CB 4.01Å; M409-E432 HydrophobicContact CG-CG 3.94Å; M409-E432 HydrophobicContact SD-CG 4.11Å; V430-E432 PolarHBondContact O-N 3.08Å
433S95.1Very high93.6Very high35 Ų3537.6 Ų37.625%0.24518%0.182CC..EExtended strand (participates in β ladder)trans-149.3162.3-179.359.10000110.9P405 Y406 K407P405-S433 CarbonylContact C-O 3.5Å; P405-S433 WeakPolarHBondContact CA-O 3.25Å; Y406-S433 PolarHBondContact N-O 3.32Å; K407-S433 PolarHBondContact N-OG 3.09Å; K407-S433 PolarHBondContact O-N 3.48Å
434C95.1Very high93.5Very high23 Ų2340.2 Ų40.216%0.15520%0.195CC..EExtended strand (participates in β ladder)trans-117.8151.1-179.8-56.40000111.2K338 L339 C366 V404K338-C434 PolarHBondContact O-SG 3.08Å; L339-C434 WeakPolarHBondContact CA-SG 3.25Å; L339-C434 PolarHBondContact N-SG 2.87Å; L339-C434 VanDerWaalsContact N-SG 3.38Å; C366-C434 WeakPolarHBondContact CA-SG 3.37Å; C366-C434 HydrophobicContact CB-CB 3.8Å; C366-C434 WeakPolarHBondContact CB-SG 2.98Å; C366-C434 WeakPolarHBondContact SG-CA 3.29Å; C366-C434 WeakPolarHBondContact SG-CB 3.24Å; C366-C434 CovalentContact SG-SG 2.03Å; C366-C434 PolarHBondContact SG-SG 3.34Å; V404-C434 CarbonylContact O-C 3.57Å; V404-C434 VanDerWaalsContact O-CA 3.31Å; V404-C434 WeakPolarHBondContact O-CA 3.3Å
435T95.4Very high93.6Very high0 Ų041.3 Ų41.30%020%0.203CC..EExtended strand (participates in β ladder)trans-135.7170.8174.7-174.10000110.2Y378 C403 V404 Y406 R437Y378-T435 WeakPolarHBondContact O-CB 3.06Å; Y378-T435 PolarHBondContact O-OG1 3.33Å; C403-T435 WeakPolarHBondContact CA-O 3.18Å; V404-T435 HydrophobicContact CG2-CG2 3.88Å; V404-T435 PolarHBondContact N-O 2.68Å; V404-T435 PolarHBondContact O-N 2.97Å; Y406-T435 HydrophobicContact CD2-CG2 4.1Å; Y406-T435 HydrophobicContact CG-CG2 4.22Å; T435-R437 HydrophobicContact CG2-CG 3.83Å
436C94.9Very high93.7Very high0 Ų044.1 Ų44.10%022%0.216CC..EExtended strand (participates in β ladder)trans-105.7118.6170.1-73.90000109C370 L374 S380 P401 S402C370-C436 WeakPolarHBondContact CA-SG 3.45Å; C370-C436 HydrophobicContact CB-CB 3.82Å; C370-C436 WeakPolarHBondContact CB-SG 3.47Å; C370-C436 VanDerWaalsContact SG-CA 3.56Å; C370-C436 WeakPolarHBondContact SG-CB 3.33Å; C370-C436 CovalentContact SG-SG 2.03Å; C370-C436 PolarHBondContact SG-SG 2.97Å; L374-C436 HydrophobicContact CD1-CB 4.25Å; L374-C436 HydrophobicContact CD2-CB 3.6Å; S380-C436 VanDerWaalsContact CB-O 3.31Å; S380-C436 WeakPolarHBondContact CB-O 3.45Å; S380-C436 PolarHBondContact OG-O 3.26Å; P401-C436 HydrophobicContact CB-CB 4.25Å; S402-C436 WeakPolarHBondContact O-CA 2.97Å
437R94.1Very high94Very high140 Ų14046.6 Ų46.653%0.52823%0.228SC..  trans-134.70-177.6-79.2-169.3176.4-163.5-0.7113.8P381 S402 V404 T435P381-R437 HydrophobicContact CG-CG 4.06Å; S402-R437 PolarHBondContact N-O 3.16Å; S402-R437 PolarHBondContact O-N 3.38Å; V404-R437 HydrophobicContact CG2-CB 3.89Å; V404-R437 HydrophobicContact CG2-CG 4.35Å; T435-R437 HydrophobicContact CG2-CG 3.83Å

Retrieved 437 of 437 residues in 826.2 ms (Link to these results)