G4VPP9_SCHMA Loading...

Bulb-type lectin domain-containing protein

AlphaFold DB , UniProt , Accession G4VPP9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 135 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
1M45Very low46.4Very low242 Ų242152.6 Ų152.6100%1.19285%0.846SS**  0135.10-62.3-168.4-154.300108.1
2S34.9Very low46.2Very low119 Ų119148.5 Ų148.583%0.83284%0.836SS**  trans-70.3137.9-174.1-20.60000111.6
3I49.9Very low45.7Very low145 Ų145150.5 Ų150.574%0.74483%0.834SS**  trans-133125.5162-51.7178.3000108.3F5I3-F5 HydrophobicContact CG2-CE2 4.24Å
4I47Very low45.8Very low143 Ų143149.6 Ų149.673%0.73383%0.825SS**  trans-86.4130.1-173.4-63.5159.1000107.7
5F58.1Low45.6Very low191 Ų191146.8 Ų146.884%0.83881%0.814SS**  trans-112.9129.8161.6-77.7-82.3000110.2I3I3-F5 HydrophobicContact CG2-CE2 4.24Å
6T52.9Low45.3Very low124 Ų124144.4 Ų144.476%0.76181%0.81SS**  trans-75.2143.7-165.345.20000112.9G8T6-G8 PolarHBondContact O-N 2.7Å
7V48.7Very low44.9Very low135 Ų135142.1 Ų142.182%0.81881%0.806SS**  trans-56.7106.1179.6-147.90000111.6K9V7-K9 PolarHBondContact O-N 3.11Å
8G42.3Very low44.8Very low80 Ų80141.3 Ų141.383%0.82581%0.805SS**  trans-78.885.2162.500000109.9T6 K10T6-G8 PolarHBondContact O-N 2.7Å; G8-K10 PolarHBondContact O-N 2.79Å
9K40.5Very low44.4Very low193 Ų193139.5 Ų139.584%0.83980%0.801SS**  trans-68.2108.3169.6-106.7-179.9162178.40109.5V7V7-K9 PolarHBondContact O-N 3.11Å
10K52.1Low44.2Very low207 Ų207136.6 Ų136.690%0.979%0.79SS**  trans-136.9100.8144.1-99.5-160.3170.9-169.50109.8G8G8-K10 PolarHBondContact O-N 2.79Å
11A39.6Very low43.9Very low100 Ų100136.1 Ų136.183%0.82679%0.791SS**  trans-61135.6161.600000109.7
12S43.8Very low43.9Very low103 Ų103131.3 Ų131.372%0.7277%0.77SS**  -170.793.8120.9-168.70000107.6I14S12-I14 PolarHBondContact O-N 2.69Å
13E39.7Very low44.4Very low174 Ų174130.8 Ų130.881%0.81376%0.764SS**  trans-63.2108.8163.8-178178.3-173.700108.4V15E13-V15 HydrophobicContact CG-CG2 4.08Å
14I46.7Very low44.2Very low139 Ų139133.1 Ų133.171%0.71377%0.768SS**  trans-120.3102.7154.2-62.9174.9000106S12 S16S12-I14 PolarHBondContact O-N 2.69Å; I14-S16 PolarHBondContact O-N 3.01Å; I14-S16 VanDerWaalsContact O-N 3.17Å
15V43Very low44Very low107 Ų107132 Ų13265%0.64877%0.768SS**  trans-49.4109.4175.1-177.10000109.4E13E13-V15 HydrophobicContact CG-CG2 4.08Å
16S40.1Very low43.3Very low108 Ų108131.4 Ų131.476%0.75577%0.768SS**  trans-139.960.5170.9-72.80000108.6I14I14-S16 PolarHBondContact O-N 3.01Å; I14-S16 VanDerWaalsContact O-N 3.17Å
17S39Very low42.8Very low106 Ų106135.7 Ų135.774%0.74177%0.77SS**  trans-170.669.8174.139.90000111.3
18T42.6Very low42.4Very low128 Ų128133.5 Ų133.579%0.78577%0.766SS**  trans-87.392.7141.843.50000105.8
19S37.4Very low42.5Very low106 Ų106137.9 Ų137.974%0.74176%0.764SS**  46.682.797.467.30000112.8
20S40.3Very low42.6Very low81 Ų81132.6 Ų132.657%0.56676%0.757SS**  trans169.6119131.1175.20000109.8L22S20-L22 VanDerWaalsContact C-N 3.28Å; S20-L22 PolarHBondContact O-N 3.14Å
21P39.3Very low42Very low127 Ų127134.3 Ų134.383%0.82576%0.758SS**  trans-76.384.6166.632.6-28.9000107.9P23P21-P23 WeakPolarHBondContact O-CD 3.45Å
22L43.9Very low42.3Very low142 Ų142137.2 Ų137.274%0.74376%0.758SS**  trans-87.2110.2157.6-86.3142.4000106.4S20 K24S20-L22 VanDerWaalsContact C-N 3.28Å; S20-L22 PolarHBondContact O-N 3.14Å; L22-K24 PolarHBondContact O-N 2.9Å
23P45.1Very low42Very low108 Ų108135 Ų13570%0.70175%0.751SS**  trans-6391.2162.426.4-29.9000105.5P21 V25P21-P23 WeakPolarHBondContact O-CD 3.45Å; P23-V25 PolarHBondContact O-N 2.83Å
24K46.1Very low42Very low194 Ų194136.3 Ų136.384%0.84376%0.755SS**  trans-69.286.8166.2-148.9170.5-170.9176.30103.1L22 Q26L22-K24 PolarHBondContact O-N 2.9Å; K24-Q26 PolarHBondContact O-N 2.77Å
25V43.6Very low41.8Very low120 Ų120136 Ų13673%0.72776%0.755SS**  trans-52.490.5159.5177.60000103.1P23 R27P23-V25 PolarHBondContact O-N 2.83Å; V25-R27 PolarHBondContact O-N 2.73Å
26Q41.9Very low41.9Very low177 Ų177138.3 Ų138.383%0.82776%0.762SS**  trans-6692.5172.5-167.6171.610.700101.3K24 A28K24-Q26 PolarHBondContact O-N 2.77Å; Q26-A28 PolarHBondContact O-N 3.17Å
27R43.2Very low42.2Very low215 Ų215138.2 Ų138.281%0.81176%0.761SS**  trans-48.1104.4162.3-107.9-178.1-174.8169.11.4102.5V25 H29V25-R27 PolarHBondContact O-N 2.73Å; R27-H29 PolarHBondContact O-N 2.88Å
28A40.6Very low42.9Very low88 Ų88136 Ų13673%0.72774%0.74SS**  trans-54.2103.1164.800000102.3Q26 A30Q26-A28 PolarHBondContact O-N 3.17Å; A28-A30 PolarHBondContact O-N 2.99Å
29H44.2Very low43.9Very low172 Ų172133.2 Ų133.280%0.79673%0.726SS**  trans-56.194.5157.6-79.7-91.9000102.2R27 R31R27-H29 PolarHBondContact O-N 2.88Å; H29-R31 PolarHBondContact O-N 3.29Å
30A43.4Very low45.5Very low82 Ų82130.5 Ų130.568%0.67870%0.7SS**  trans-53.4101.5167.200000102.8A28 L32A28-A30 PolarHBondContact O-N 2.99Å; A30-L32 PolarHBondContact O-N 2.95Å
31R39.2Very low47.2Very low244 Ų244134.9 Ų134.992%0.92171%0.711SS**  trans-69.263.8165.7-71.1-179.3167.2-168.9-2.9104.9H29 G33H29-R31 PolarHBondContact O-N 3.29Å; R31-G33 PolarHBondContact O-N 3.01Å; R31-G33 VanDerWaalsContact O-N 3.13Å
32L44.5Very low49.2Very low160 Ų160131.1 Ų131.184%0.83869%0.687SS**  trans-73.5108.6174.9-151.371.6000104.2A30 K34A30-L32 PolarHBondContact O-N 2.95Å; L32-K34 PolarHBondContact O-N 2.99Å
33G37.2Very low51.1Low56 Ų56128.1 Ų128.158%0.57768%0.678SS**  trans-60.1129-163.700000111.7R31 N35R31-G33 PolarHBondContact O-N 3.01Å; R31-G33 VanDerWaalsContact O-N 3.13Å; G33-N35 PolarHBondContact O-N 3.31Å
34K40.6Very low52.8Low203 Ų203131.7 Ų131.788%0.88369%0.685SS**SBend36.6-1.2127.4-69.3-174.9174.9-176.80121.7L32 L36L32-K34 PolarHBondContact O-N 2.99Å; K34-L36 PolarHBondContact O-N 3.19Å
35N42.2Very low54.8Low133 Ų133124.4 Ų124.471%0.71166%0.655SS**  trans-90.486.8162.2-74.7-50.3000106.6G33 S37G33-N35 PolarHBondContact O-N 3.31Å; N35-S37 PolarHBondContact O-N 3.12Å
36L44.9Very low57Low155 Ų155120.5 Ų120.581%0.81263%0.632SS**  trans-58.515.3170.5-76.9153.3000113.7K34 M38K34-L36 PolarHBondContact O-N 3.19Å; L36-M38 PolarHBondContact O-N 2.99Å
37S47.3Very low59.2Low105 Ų105112.6 Ų112.673%0.73460%0.595SS**  trans-75.835.5166.3-46.40000111N35 S39N35-S37 PolarHBondContact O-N 3.12Å; S37-S39 PolarHBondContact O-N 3.44Å
38M53.4Low61.5Low59 Ų59102.4 Ų102.429%0.29156%0.557SS.*  trans-73.565.4178.1-61.6-161.6-37.500109.7L36 Y40 S59 N72 D73L36-M38 PolarHBondContact O-N 2.99Å; M38-Y40 PolarHBondContact O-N 3.41Å; M38-S59 WeakPolarHBondContact O-CB 3.11Å; M38-N72 HydrophobicContact CE-CB 3.55Å; M38-N72 WeakPolarHBondContact CE-O 3.36Å; M38-D73 HydrophobicContact CE-CB 4.23Å; M38-D73 VanDerWaalsContact CE-CG 3.41Å; M38-D73 VanDerWaalsContact CE-OD2 3.29Å; M38-D73 WeakPolarHBondContact CE-OD2 3.44Å
39S62.8Low63.8Low70 Ų7098.3 Ų98.349%0.4952%0.523SS..  trans-71.5111.8155.4-175.40000104.7S37 E41S37-S39 PolarHBondContact O-N 3.44Å; S39-E41 PolarHBondContact O-N 3.17Å
40Y71.7Confident65.9Low49 Ų4992.9 Ų92.919%0.19250%0.5CS..PPolyproline II helixtrans-51.9143163.8-63.9-87.8000108.7M38 P42 V48 S59 A61 W70 N72M38-Y40 PolarHBondContact O-N 3.41Å; Y40-P42 WeakPolarHBondContact O-CD 3.36Å; Y40-V48 VanDerWaalsContact CB-CG2 3.41Å; Y40-V48 HydrophobicContact CD2-CG1 4.4Å; Y40-V48 HydrophobicContact CG-CG2 4.49Å; Y40-S59 WeakPolarHBondContact CD2-OG 3.36Å; Y40-S59 WeakPolarHBondContact CE2-O 3.38Å; Y40-A61 HydrophobicContact CD1-CB 3.69Å; Y40-A61 HydrophobicContact CD2-CB 3.53Å; Y40-A61 HydrophobicContact CE1-CB 3.84Å; Y40-A61 HydrophobicContact CE2-CB 3.71Å; Y40-A61 HydrophobicContact CG-CB 3.51Å; Y40-W70 HydrophobicContact CE1-CB 4.43Å; Y40-W70 WeakPolarHBondContact OH-CB 3.21Å; Y40-N72 WeakPolarHBondContact OH-CA 3.45Å; Y40-N72 PolarHBondContact OH-N 3.35Å; Y40-N72 PolarHBondContact OH-O 2.94Å
41E76.3Confident68Low173 Ų17389 Ų8981%0.80847%0.467SS*.PPolyproline II helixtrans-82.2118.4174-168.4173.917600108.4S39 S43S39-E41 PolarHBondContact O-N 3.17Å; E41-S43 PolarHBondContact O-N 2.87Å
42P80.8Confident70.3Confident49 Ų4982.3 Ų82.332%0.31845%0.45SS..PPolyproline II helixtrans-62.2136.7175.326.3-32.6000109.6Y40 V48Y40-P42 WeakPolarHBondContact O-CD 3.36Å; P42-V48 HydrophobicContact CB-CB 4.44Å; P42-V48 HydrophobicContact CB-CG2 4.23Å
43S83.6Confident72.2Confident79 Ų7976.7 Ų76.755%0.55242%0.42SS*.  trans-134.3173.3-179.5-1750000109.7E41 N45 V46E41-S43 PolarHBondContact O-N 2.87Å; S43-N45 PolarHBondContact O-N 2.73Å; S43-N45 VanDerWaalsContact O-N 3.12Å; S43-V46 PolarHBondContact N-O 2.86Å; S43-V46 PolarHBondContact O-N 2.7Å
44E82.2Confident74.3Confident182 Ų18277.4 Ų77.485%0.8543%0.428SS*.SBendtrans-54.9-34.5177.5-65.7-176.7177.600111.9K64E44-K64 PolarHBondContact O-NZ 2.92Å
45N87.2Confident76.2Confident41 Ų4172.6 Ų72.622%0.21942%0.42CS..SBendtrans-100.1-13-178.6-167.624.9000114.4S43 K64 D65S43-N45 PolarHBondContact O-N 2.73Å; S43-N45 VanDerWaalsContact O-N 3.12Å; N45-K64 WeakPolarHBondContact O-CG 3.4Å; N45-K64 PolarHBondContact O-N 3.32Å; N45-K64 WeakPolarHBondContact OD1-CB 3.37Å; N45-K64 PolarHBondContact OD1-N 3.26Å; N45-D65 VanDerWaalsContact CG-CG 3.42Å; N45-D65 VanDerWaalsContact CG-OD2 3.25Å; N45-D65 PolarHBondContact ND2-OD2 2.8Å; N45-D65 PolarHBondContact OD1-N 3.48Å; N45-D65 PolarHBondContact OD1-OD1 2.9Å; N45-D65 PolarHBondContact OD1-OD2 3.36Å
46V88.7Confident78.1Confident39 Ų3969.7 Ų69.724%0.23640%0.404CS..EExtended strand (participates in β ladder)trans-122.4121.4-174-177.80000110.3S43 V48 A61 Y62S43-V46 PolarHBondContact N-O 2.86Å; S43-V46 PolarHBondContact O-N 2.7Å; V46-V48 HydrophobicContact CG1-CG2 4.08Å; V46-A61 HydrophobicContact CG1-CB 4.03Å; V46-Y62 WeakPolarHBondContact CA-O 3.49Å
47I89.4Confident80.1Confident10 Ų1068 Ų685%0.05139%0.392CS..EExtended strand (participates in β ladder)trans-100.3133.3175.6-52.2179.5000108.6W49 A61 Y62 Y113 C124I47-W49 HydrophobicContact CB-CH2 3.66Å; I47-W49 HydrophobicContact CB-CZ2 4.33Å; I47-W49 HydrophobicContact CB-CZ3 3.78Å; I47-W49 HydrophobicContact CD1-CH2 4.32Å; I47-W49 HydrophobicContact CG2-CD2 4.22Å; I47-W49 HydrophobicContact CG2-CE3 4.07Å; I47-W49 HydrophobicContact CG2-CH2 3.28Å; I47-W49 HydrophobicContact CG2-CZ2 3.45Å; I47-W49 VanDerWaalsContact CG2-CZ2 3.45Å; I47-W49 HydrophobicContact CG2-CZ3 3.61Å; I47-A61 CarbonylContact O-C 3.58Å; I47-A61 VanDerWaalsContact O-CA 3.31Å; I47-A61 WeakPolarHBondContact O-CA 3.32Å; I47-Y62 PolarHBondContact N-O 2.88Å; I47-Y62 PolarHBondContact O-N 3.24Å; I47-Y113 HydrophobicContact CD1-CD1 3.43Å; I47-Y113 VanDerWaalsContact CD1-CD1 3.43Å; I47-Y113 HydrophobicContact CD1-CD2 3.18Å; I47-Y113 HydrophobicContact CD1-CE1 3.74Å; I47-Y113 HydrophobicContact CD1-CE2 3.49Å; I47-Y113 VanDerWaalsContact CD1-CE2 3.49Å; I47-Y113 HydrophobicContact CD1-CG 3.13Å; I47-C124 WeakPolarHBondContact CG2-SG 3.22Å
48V90.4Very high82Confident2 Ų263.4 Ų63.41%0.01236%0.359CS..EExtended strand (participates in β ladder)trans-121.9135.4-175.9-176.80000110.1Y40 P42 V46 S59 L60 A61Y40-V48 VanDerWaalsContact CB-CG2 3.41Å; Y40-V48 HydrophobicContact CD2-CG1 4.4Å; Y40-V48 HydrophobicContact CG-CG2 4.49Å; P42-V48 HydrophobicContact CB-CB 4.44Å; P42-V48 HydrophobicContact CB-CG2 4.23Å; V46-V48 HydrophobicContact CG1-CG2 4.08Å; V48-S59 WeakPolarHBondContact CG1-OG 3.26Å; V48-L60 CarbonylContact C-O 3.56Å; V48-L60 VanDerWaalsContact CA-O 3.29Å; V48-L60 WeakPolarHBondContact CA-O 3.46Å; V48-A61 HydrophobicContact CG2-CB 4.39Å
49W90.5Very high83.6Confident1 Ų160.8 Ų60.80%0.00435%0.346CS..EExtended strand (participates in β ladder)trans-122.3130.1170.9-64.1-96.8000109.2I47 V51 S59 L60 F69 L100 L115 I122I47-W49 HydrophobicContact CB-CH2 3.66Å; I47-W49 HydrophobicContact CB-CZ2 4.33Å; I47-W49 HydrophobicContact CB-CZ3 3.78Å; I47-W49 HydrophobicContact CD1-CH2 4.32Å; I47-W49 HydrophobicContact CG2-CD2 4.22Å; I47-W49 HydrophobicContact CG2-CE3 4.07Å; I47-W49 HydrophobicContact CG2-CH2 3.28Å; I47-W49 HydrophobicContact CG2-CZ2 3.45Å; I47-W49 VanDerWaalsContact CG2-CZ2 3.45Å; I47-W49 HydrophobicContact CG2-CZ3 3.61Å; W49-V51 HydrophobicContact CB-CG2 4.44Å; W49-S59 CarbonylContact O-C 3.6Å; W49-S59 WeakPolarHBondContact O-CA 3.47Å; W49-L60 HydrophobicContact CB-CB 4.43Å; W49-L60 PolarHBondContact N-O 2.77Å; W49-L60 PolarHBondContact O-N 2.98Å; W49-F69 HydrophobicContact CE3-CE2 4.42Å; W49-F69 HydrophobicContact CZ3-CE2 4.06Å; W49-L100 HydrophobicContact CH2-CD1 3.68Å; W49-L100 HydrophobicContact CZ2-CD1 4Å; W49-L115 HydrophobicContact CB-CD2 3.67Å; W49-L115 HydrophobicContact CD2-CB 4.09Å; W49-L115 HydrophobicContact CD2-CD2 3.76Å; W49-L115 HydrophobicContact CE3-CD2 4.24Å; W49-L115 HydrophobicContact CG-CB 4.23Å; W49-L115 HydrophobicContact CG-CD2 3.49Å; W49-L115 VanDerWaalsContact CG-CD2 3.49Å; W49-L115 HydrophobicContact CZ2-CB 4.12Å; W49-I122 HydrophobicContact CB-CG2 4.24Å
50N88.4Confident85Confident59 Ų5957.4 Ų57.432%0.31632%0.323SS..EExtended strand (participates in β ladder)trans-95.2117.3167.5-69.3-18.3000107.6S59 L125N50-S59 WeakPolarHBondContact OD1-CB 3.34Å; N50-S59 PolarHBondContact OD1-OG 2.98Å; N50-L125 HydrophobicContact CB-CD1 3.88Å; N50-L125 WeakPolarHBondContact ND2-CD1 3.3Å
51V87.3Confident85.8Confident0 Ų055.2 Ų55.20%032%0.315CS..EExtended strand (participates in β ladder)trans-107.4129.1-175.9-171.30000108.8W49 L53 H57 F58 L60 L115 I117 I122W49-V51 HydrophobicContact CB-CG2 4.44Å; V51-L53 HydrophobicContact CG1-CD1 4.37Å; V51-L53 HydrophobicContact CG1-CD2 3.89Å; V51-L53 HydrophobicContact CG1-CG 3.76Å; V51-H57 WeakPolarHBondContact O-CA 3.11Å; V51-F58 HydrophobicContact CB-CD2 4.01Å; V51-F58 HydrophobicContact CB-CE1 4.18Å; V51-F58 HydrophobicContact CB-CE2 3.57Å; V51-F58 HydrophobicContact CB-CG 4.48Å; V51-F58 HydrophobicContact CB-CZ 3.69Å; V51-F58 HydrophobicContact CG1-CE1 4.07Å; V51-F58 HydrophobicContact CG1-CE2 3.96Å; V51-F58 HydrophobicContact CG1-CZ 3.57Å; V51-F58 HydrophobicContact CG2-CD2 4.24Å; V51-F58 HydrophobicContact CG2-CE2 3.7Å; V51-F58 HydrophobicContact CG2-CZ 4.2Å; V51-F58 PolarHBondContact N-O 2.81Å; V51-F58 PolarHBondContact O-N 2.82Å; V51-L60 HydrophobicContact CG2-CD1 3.77Å; V51-L60 HydrophobicContact CG2-CG 4.11Å; V51-L115 HydrophobicContact CG2-CD2 4.42Å; V51-I117 HydrophobicContact CB-CD1 4.29Å; V51-I117 HydrophobicContact CG1-CD1 3.52Å; V51-I117 HydrophobicContact CG2-CD1 3.8Å; V51-I122 HydrophobicContact CG1-CD1 4.32Å; V51-I122 HydrophobicContact CG2-CG2 4.26Å
52N86.7Confident86.6Confident104 Ų10447 Ų4756%0.55628%0.276SS*.EExtended strand (participates in β ladder)trans-118.2103.9172.9-61.6-10.7000108.6D56 H57N52-D56 CarbonylContact C-O 3.57Å; N52-H57 PolarHBondContact OD1-CD2 2.83Å
53L83.8Confident87Confident41 Ų4145.7 Ų45.722%0.21527%0.268CS..EExtended strand (participates in β ladder)trans-103.477.4174.8-59.8-178.1000109V51 S55 D56 F58 H96 I117V51-L53 HydrophobicContact CG1-CD1 4.37Å; V51-L53 HydrophobicContact CG1-CD2 3.89Å; V51-L53 HydrophobicContact CG1-CG 3.76Å; L53-S55 PolarHBondContact O-N 2.85Å; L53-S55 VanDerWaalsContact O-N 3.07Å; L53-D56 PolarHBondContact N-O 3.44Å; L53-D56 PolarHBondContact O-N 3.45Å; L53-D56 VanDerWaalsContact O-N 3.11Å; L53-F58 HydrophobicContact CD1-CE1 3.75Å; L53-F58 HydrophobicContact CD1-CZ 3.81Å; L53-F58 HydrophobicContact CG-CE1 4.02Å; L53-F58 HydrophobicContact CG-CZ 4.27Å; L53-H96 HydrophobicContact CD1-CB 4.35Å; L53-H96 VanDerWaalsContact CD1-CD2 3.48Å; L53-H96 WeakPolarHBondContact CD1-CD2 3.38Å; L53-I117 HydrophobicContact CD1-CG2 4.03Å; L53-I117 HydrophobicContact CD2-CG2 4.27Å
54G81.5Confident87.3Confident71 Ų7144.4 Ų44.473%0.73225%0.252SS*.THydrogen-bonded Turntrans67.5-106.5-179.100000112.2H57G54-H57 PolarHBondContact O-CE1 3.14Å
55S80.7Confident87.6Confident102 Ų10241.7 Ų41.771%0.71324%0.244SC*.THydrogen-bonded Turntrans-80.1-24.8175.451.50000113L53 H57L53-S55 PolarHBondContact O-N 2.85Å; L53-S55 VanDerWaalsContact O-N 3.07Å; S55-H57 PolarHBondContact O-ND1 2.88Å
56D83.3Confident87.7Confident72 Ų7243.8 Ų43.839%0.38526%0.258SS..EExtended strand (participates in β ladder)trans-90.6120.8-172.3-61.6-32.7000110.6N52 L53 M94N52-D56 CarbonylContact C-O 3.57Å; L53-D56 PolarHBondContact N-O 3.44Å; L53-D56 PolarHBondContact O-N 3.45Å; L53-D56 VanDerWaalsContact O-N 3.11Å; D56-M94 HydrophobicContact CB-SD 3.97Å
57H85.3Confident87.6Confident120 Ų12046.2 Ų46.256%0.55627%0.267SS*.EExtended strand (participates in β ladder)trans-119.3122.1179.7-63.766.4000107.9V51 N52 G54 S55V51-H57 WeakPolarHBondContact O-CA 3.11Å; N52-H57 PolarHBondContact OD1-CD2 2.83Å; G54-H57 PolarHBondContact O-CE1 3.14Å; S55-H57 PolarHBondContact O-ND1 2.88Å
58F87.4Confident87.7Confident9 Ų947.2 Ų47.24%0.03927%0.273CS..EExtended strand (participates in β ladder)trans-148.6156.7-179.758.7-91.2000111.2V51 L53 L60 N71 I93 M94 I117V51-F58 HydrophobicContact CB-CD2 4.01Å; V51-F58 HydrophobicContact CB-CE1 4.18Å; V51-F58 HydrophobicContact CB-CE2 3.57Å; V51-F58 HydrophobicContact CB-CG 4.48Å; V51-F58 HydrophobicContact CB-CZ 3.69Å; V51-F58 HydrophobicContact CG1-CE1 4.07Å; V51-F58 HydrophobicContact CG1-CE2 3.96Å; V51-F58 HydrophobicContact CG1-CZ 3.57Å; V51-F58 HydrophobicContact CG2-CD2 4.24Å; V51-F58 HydrophobicContact CG2-CE2 3.7Å; V51-F58 HydrophobicContact CG2-CZ 4.2Å; V51-F58 PolarHBondContact N-O 2.81Å; V51-F58 PolarHBondContact O-N 2.82Å; L53-F58 HydrophobicContact CD1-CE1 3.75Å; L53-F58 HydrophobicContact CD1-CZ 3.81Å; L53-F58 HydrophobicContact CG-CE1 4.02Å; L53-F58 HydrophobicContact CG-CZ 4.27Å; F58-L60 HydrophobicContact CD2-CD1 4.48Å; F58-L60 HydrophobicContact CD2-CD2 4.01Å; F58-L60 HydrophobicContact CD2-CG 3.9Å; F58-L60 HydrophobicContact CE2-CD1 3.83Å; F58-L60 HydrophobicContact CE2-CD2 3.98Å; F58-L60 HydrophobicContact CE2-CG 3.75Å; F58-N71 WeakPolarHBondContact CB-OD1 3.49Å; F58-N71 VanDerWaalsContact CD2-OD1 3.28Å; F58-N71 WeakPolarHBondContact CD2-OD1 3.42Å; F58-I93 HydrophobicContact CD2-CD1 3.68Å; F58-I93 HydrophobicContact CE1-CD1 4.43Å; F58-I93 HydrophobicContact CE2-CD1 3.33Å; F58-I93 HydrophobicContact CE2-CG1 4.34Å; F58-I93 HydrophobicContact CG-CD1 4.38Å; F58-I93 HydrophobicContact CZ-CD1 3.74Å; F58-I93 HydrophobicContact CZ-CG1 4.29Å; F58-I93 HydrophobicContact CZ-CG2 4.4Å; F58-M94 HydrophobicContact CD1-CE 3.94Å; F58-M94 HydrophobicContact CD1-SD 3.93Å; F58-M94 HydrophobicContact CE1-CE 4.47Å; F58-M94 HydrophobicContact CE1-SD 3.9Å; F58-M94 HydrophobicContact CG-CE 4.44Å; F58-I117 HydrophobicContact CE2-CD1 4.46Å; F58-I117 HydrophobicContact CZ-CD1 4.26Å
59S87.9Confident87.7Confident3 Ų347.1 Ų47.12%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-106.8133.4178-159.40000109.5M38 Y40 V48 W49 N50 N71 N72M38-S59 WeakPolarHBondContact O-CB 3.11Å; Y40-S59 WeakPolarHBondContact CD2-OG 3.36Å; Y40-S59 WeakPolarHBondContact CE2-O 3.38Å; V48-S59 WeakPolarHBondContact CG1-OG 3.26Å; W49-S59 CarbonylContact O-C 3.6Å; W49-S59 WeakPolarHBondContact O-CA 3.47Å; N50-S59 WeakPolarHBondContact OD1-CB 3.34Å; N50-S59 PolarHBondContact OD1-OG 2.98Å; S59-N71 WeakPolarHBondContact O-CA 3.42Å; S59-N71 PolarHBondContact O-OD1 3.33Å; S59-N72 PolarHBondContact N-OD1 2.85Å; S59-N72 PolarHBondContact O-N 2.76Å
60L90.9Very high87.7Confident0 Ų051.4 Ų51.40%029%0.289CS..EExtended strand (participates in β ladder)trans-108.8130.4173.9-67.3177000109.3V48 W49 V51 F58 F69 W70 N71 I76 F91 I93 L115 I117V48-L60 CarbonylContact C-O 3.56Å; V48-L60 VanDerWaalsContact CA-O 3.29Å; V48-L60 WeakPolarHBondContact CA-O 3.46Å; W49-L60 HydrophobicContact CB-CB 4.43Å; W49-L60 PolarHBondContact N-O 2.77Å; W49-L60 PolarHBondContact O-N 2.98Å; V51-L60 HydrophobicContact CG2-CD1 3.77Å; V51-L60 HydrophobicContact CG2-CG 4.11Å; F58-L60 HydrophobicContact CD2-CD1 4.48Å; F58-L60 HydrophobicContact CD2-CD2 4.01Å; F58-L60 HydrophobicContact CD2-CG 3.9Å; F58-L60 HydrophobicContact CE2-CD1 3.83Å; F58-L60 HydrophobicContact CE2-CD2 3.98Å; F58-L60 HydrophobicContact CE2-CG 3.75Å; L60-F69 HydrophobicContact CB-CE1 4.15Å; L60-F69 HydrophobicContact CB-CE2 4.4Å; L60-F69 HydrophobicContact CB-CZ 3.75Å; L60-F69 HydrophobicContact CD1-CE1 3.82Å; L60-F69 HydrophobicContact CD1-CZ 3.74Å; L60-F69 HydrophobicContact CD2-CD1 4.47Å; L60-F69 HydrophobicContact CD2-CE1 3.72Å; L60-F69 HydrophobicContact CD2-CZ 4.21Å; L60-F69 HydrophobicContact CG-CE1 4.11Å; L60-F69 HydrophobicContact CG-CZ 4.11Å; L60-W70 CarbonylContact C-O 3.54Å; L60-W70 VanDerWaalsContact CA-O 3.25Å; L60-W70 WeakPolarHBondContact CA-O 3.39Å; L60-N71 HydrophobicContact CD2-CB 3.62Å; L60-I76 HydrophobicContact CD2-CD1 3.89Å; L60-F91 HydrophobicContact CD1-CE2 4.42Å; L60-F91 HydrophobicContact CD1-CZ 4.17Å; L60-I93 HydrophobicContact CD2-CD1 3.9Å; L60-L115 HydrophobicContact CD1-CD2 3.71Å; L60-I117 HydrophobicContact CD1-CD1 4.12Å
61A90.4Very high87.8Confident3 Ų349.4 Ų49.43%0.02528%0.278CS..EExtended strand (participates in β ladder)trans-121132.5174.800000111.2Y40 V46 I47 V48 F69 W70Y40-A61 HydrophobicContact CD1-CB 3.69Å; Y40-A61 HydrophobicContact CD2-CB 3.53Å; Y40-A61 HydrophobicContact CE1-CB 3.84Å; Y40-A61 HydrophobicContact CE2-CB 3.71Å; Y40-A61 HydrophobicContact CG-CB 3.51Å; V46-A61 HydrophobicContact CG1-CB 4.03Å; I47-A61 CarbonylContact O-C 3.58Å; I47-A61 VanDerWaalsContact O-CA 3.31Å; I47-A61 WeakPolarHBondContact O-CA 3.32Å; V48-A61 HydrophobicContact CG2-CB 4.39Å; A61-F69 CarbonylContact O-C 3.55Å; A61-F69 WeakPolarHBondContact O-CA 3.29Å; A61-W70 HydrophobicContact CB-CB 4.43Å; A61-W70 PolarHBondContact N-O 2.76Å; A61-W70 PolarHBondContact O-N 2.75Å
62Y92.1Very high87.7Confident1 Ų151.5 Ų51.50%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-114.5120.3172.4179.3-109.4000110.3V46 I47 K64 H67 F69 L100 I102 Y113V46-Y62 WeakPolarHBondContact CA-O 3.49Å; I47-Y62 PolarHBondContact N-O 2.88Å; I47-Y62 PolarHBondContact O-N 3.24Å; Y62-K64 HydrophobicContact CD1-CG 4.26Å; Y62-K64 HydrophobicContact CE1-CB 4.45Å; Y62-K64 HydrophobicContact CE1-CG 4.13Å; Y62-H67 AromaticContact CZ-ND1 3.77Å; Y62-H67 PolarHBondContact OH-ND1 2.77Å; Y62-F69 AromaticContact CD2-CD2 3.86Å; Y62-F69 HydrophobicContact CD2-CD2 3.86Å; Y62-F69 HydrophobicContact CG-CD2 4.24Å; Y62-L100 HydrophobicContact CD1-CD2 4.22Å; Y62-L100 HydrophobicContact CD2-CD2 3.53Å; Y62-L100 HydrophobicContact CE1-CD2 4.44Å; Y62-L100 HydrophobicContact CE2-CD2 3.75Å; Y62-L100 HydrophobicContact CG-CD2 3.74Å; Y62-I102 HydrophobicContact CE1-CD1 3.86Å; Y62-I102 WeakPolarHBondContact OH-CD1 3.48Å; Y62-Y113 HydrophobicContact CD1-CD1 4.31Å; Y62-Y113 HydrophobicContact CD1-CE1 4.18Å; Y62-Y113 HydrophobicContact CE1-CD1 4.21Å; Y62-Y113 AromaticContact CE1-CE1 3.77Å; Y62-Y113 HydrophobicContact CE1-CE1 3.77Å
63C90.1Very high87.5Confident20 Ų2052.1 Ų52.114%0.13529%0.293CS..EExtended strand (participates in β ladder)trans-89.6122.2171.7-175.80000109.6T66 H67 T68C63-T66 VanDerWaalsContact CB-OG1 3.29Å; C63-T66 WeakPolarHBondContact CB-OG1 3.29Å; C63-T66 PolarHBondContact SG-OG1 2.91Å; C63-H67 WeakPolarHBondContact O-CA 3.31Å; C63-H67 PolarHBondContact O-N 2.75Å; C63-T68 PolarHBondContact N-O 3.38Å
64K89.4Confident87.7Confident52 Ų5257 Ų5723%0.22632%0.315CS..THydrogen-bonded Turntrans-71.1-41.2-175.9-57.6167.5-177.61690111.8E44 N45 Y62 H67 Y113E44-K64 PolarHBondContact O-NZ 2.92Å; N45-K64 WeakPolarHBondContact O-CG 3.4Å; N45-K64 PolarHBondContact O-N 3.32Å; N45-K64 WeakPolarHBondContact OD1-CB 3.37Å; N45-K64 PolarHBondContact OD1-N 3.26Å; Y62-K64 HydrophobicContact CD1-CG 4.26Å; Y62-K64 HydrophobicContact CE1-CB 4.45Å; Y62-K64 HydrophobicContact CE1-CG 4.13Å; K64-H67 PolarHBondContact O-CE1 2.81Å; K64-H67 PolarHBondContact O-ND1 2.81Å; K64-Y113 WeakPolarHBondContact CD-OH 3.41Å; K64-Y113 WeakPolarHBondContact CE-OH 3.4Å; K64-Y113 HydrophobicContact CG-CE1 4.3Å; K64-Y113 WeakPolarHBondContact CG-OH 3.28Å
65D88.1Confident88.1Confident126 Ų12659.3 Ų59.367%0.67431%0.306SS*.THydrogen-bonded Turntrans-67.6-45.2-177.8-70.6-14.3000112.8N45N45-D65 VanDerWaalsContact CG-CG 3.42Å; N45-D65 VanDerWaalsContact CG-OD2 3.25Å; N45-D65 PolarHBondContact ND2-OD2 2.8Å; N45-D65 PolarHBondContact OD1-N 3.48Å; N45-D65 PolarHBondContact OD1-OD1 2.9Å; N45-D65 PolarHBondContact OD1-OD2 3.36Å
66T88.7Confident88.6Confident85 Ų8555.6 Ų55.652%0.52128%0.278SS..THydrogen-bonded Turntrans-91.1-7.9-177.156.30000112.7C63 T68C63-T66 VanDerWaalsContact CB-OG1 3.29Å; C63-T66 WeakPolarHBondContact CB-OG1 3.29Å; C63-T66 PolarHBondContact SG-OG1 2.91Å; T66-T68 PolarHBondContact O-N 2.77Å; T66-T68 VanDerWaalsContact O-N 3.11Å; T66-T68 PolarHBondContact OG1-OG1 2.8Å
67H88.1Confident88.9Confident90 Ų9060.8 Ų60.842%0.41730%0.3SS..THydrogen-bonded Turntrans49.432-171.7-63.1-62000113.4Y62 C63 K64Y62-H67 AromaticContact CZ-ND1 3.77Å; Y62-H67 PolarHBondContact OH-ND1 2.77Å; C63-H67 WeakPolarHBondContact O-CA 3.31Å; C63-H67 PolarHBondContact O-N 2.75Å; K64-H67 PolarHBondContact O-CE1 2.81Å; K64-H67 PolarHBondContact O-ND1 2.81Å
68T89.9Confident89.2Confident30 Ų3056.9 Ų56.918%0.18428%0.283CS..EExtended strand (participates in β ladder)trans-95.2141.4178.4520000110.1C63 T66 W70C63-T68 PolarHBondContact N-O 3.38Å; T66-T68 PolarHBondContact O-N 2.77Å; T66-T68 VanDerWaalsContact O-N 3.11Å; T66-T68 PolarHBondContact OG1-OG1 2.8Å; T68-W70 PolarHBondContact OG1-NE1 2.76Å
69F91.6Very high89.4Confident0 Ų062.4 Ų62.40%031%0.308CS..EExtended strand (participates in β ladder)trans-116.6134.2178.1-159.5-114.5000109.4W49 L60 A61 Y62 I76 L78 F91 L100 L115W49-F69 HydrophobicContact CE3-CE2 4.42Å; W49-F69 HydrophobicContact CZ3-CE2 4.06Å; L60-F69 HydrophobicContact CB-CE1 4.15Å; L60-F69 HydrophobicContact CB-CE2 4.4Å; L60-F69 HydrophobicContact CB-CZ 3.75Å; L60-F69 HydrophobicContact CD1-CE1 3.82Å; L60-F69 HydrophobicContact CD1-CZ 3.74Å; L60-F69 HydrophobicContact CD2-CD1 4.47Å; L60-F69 HydrophobicContact CD2-CE1 3.72Å; L60-F69 HydrophobicContact CD2-CZ 4.21Å; L60-F69 HydrophobicContact CG-CE1 4.11Å; L60-F69 HydrophobicContact CG-CZ 4.11Å; A61-F69 CarbonylContact O-C 3.55Å; A61-F69 WeakPolarHBondContact O-CA 3.29Å; Y62-F69 AromaticContact CD2-CD2 3.86Å; Y62-F69 HydrophobicContact CD2-CD2 3.86Å; Y62-F69 HydrophobicContact CG-CD2 4.24Å; F69-I76 HydrophobicContact CD1-CB 4.16Å; F69-I76 HydrophobicContact CD1-CD1 3.78Å; F69-I76 HydrophobicContact CE1-CD1 4.09Å; F69-I76 PolarHBondContact O-N 2.78Å; F69-L78 HydrophobicContact CB-CD1 3.64Å; F69-L78 HydrophobicContact CB-CD2 3.61Å; F69-L78 HydrophobicContact CB-CG 3.81Å; F69-L78 HydrophobicContact CD1-CD2 4.04Å; F69-L78 HydrophobicContact CG-CD2 3.98Å; F69-F91 HydrophobicContact CD1-CD1 4.36Å; F69-F91 HydrophobicContact CD1-CE1 4.19Å; F69-F91 HydrophobicContact CD1-CE2 4.35Å; F69-F91 HydrophobicContact CD1-CZ 4.19Å; F69-F91 HydrophobicContact CE1-CD1 4.14Å; F69-F91 HydrophobicContact CE1-CD2 4.24Å; F69-F91 AromaticContact CE1-CE1 3.54Å; F69-F91 HydrophobicContact CE1-CE1 3.54Å; F69-F91 AromaticContact CE1-CE2 3.65Å; F69-F91 HydrophobicContact CE1-CE2 3.65Å; F69-F91 HydrophobicContact CE1-CG 4.46Å; F69-F91 AromaticContact CE1-CZ 3.26Å; F69-F91 HydrophobicContact CE1-CZ 3.26Å; F69-F91 AromaticContact CZ-CE1 3.91Å; F69-F91 HydrophobicContact CZ-CE1 3.91Å; F69-F91 AromaticContact CZ-CZ 3.76Å; F69-F91 HydrophobicContact CZ-CZ 3.76Å; F69-L100 HydrophobicContact CD2-CD2 4.25Å; F69-L100 HydrophobicContact CE2-CD2 4.15Å; F69-L115 HydrophobicContact CZ-CD1 4.09Å
70W91.2Very high89.6Confident92 Ų9266.8 Ų66.835%0.34833%0.327SS..EExtended strand (participates in β ladder)trans-127.5145.4-174.2-64.681.3000110.3Y40 L60 A61 T68 D73 E74 Q75Y40-W70 HydrophobicContact CE1-CB 4.43Å; Y40-W70 WeakPolarHBondContact OH-CB 3.21Å; L60-W70 CarbonylContact C-O 3.54Å; L60-W70 VanDerWaalsContact CA-O 3.25Å; L60-W70 WeakPolarHBondContact CA-O 3.39Å; A61-W70 HydrophobicContact CB-CB 4.43Å; A61-W70 PolarHBondContact N-O 2.76Å; A61-W70 PolarHBondContact O-N 2.75Å; T68-W70 PolarHBondContact OG1-NE1 2.76Å; W70-D73 WeakPolarHBondContact CZ3-O 3.23Å; W70-E74 CarbonylContact C-O 3.55Å; W70-E74 WeakPolarHBondContact CA-O 3.34Å; W70-Q75 HydrophobicContact CD2-CB 4.18Å; W70-Q75 HydrophobicContact CE3-CB 4.07Å; W70-Q75 HydrophobicContact CH2-CB 4.15Å; W70-Q75 HydrophobicContact CZ2-CB 4.26Å; W70-Q75 HydrophobicContact CZ3-CB 4.06Å
71N89.6Confident89.7Confident17 Ų1769.4 Ų69.49%0.09134%0.344CS..EExtended strand (participates in β ladder)trans-122.4111.2170.5172.836.7000108.7F58 S59 L60 D73 E74 I76 I93F58-N71 WeakPolarHBondContact CB-OD1 3.49Å; F58-N71 VanDerWaalsContact CD2-OD1 3.28Å; F58-N71 WeakPolarHBondContact CD2-OD1 3.42Å; S59-N71 WeakPolarHBondContact O-CA 3.42Å; S59-N71 PolarHBondContact O-OD1 3.33Å; L60-N71 HydrophobicContact CD2-CB 3.62Å; N71-D73 VanDerWaalsContact C-N 3.28Å; N71-D73 PolarHBondContact O-N 2.8Å; N71-E74 PolarHBondContact N-O 2.8Å; N71-E74 PolarHBondContact O-N 2.88Å; N71-I76 HydrophobicContact CB-CD1 3.47Å; N71-I76 VanDerWaalsContact CB-CD1 3.47Å; N71-I76 HydrophobicContact CB-CG1 3.99Å; N71-I93 HydrophobicContact CB-CD1 3.96Å; N71-I93 WeakPolarHBondContact ND2-CD1 3.39Å
72N84.7Confident89.5Confident43 Ų4373.3 Ų73.323%0.2337%0.371CS..THydrogen-bonded Turntrans56.7-77-175.4-61.4-28.7000114.3M38 Y40 S59M38-N72 HydrophobicContact CE-CB 3.55Å; M38-N72 WeakPolarHBondContact CE-O 3.36Å; Y40-N72 WeakPolarHBondContact OH-CA 3.45Å; Y40-N72 PolarHBondContact OH-N 3.35Å; Y40-N72 PolarHBondContact OH-O 2.94Å; S59-N72 PolarHBondContact N-OD1 2.85Å; S59-N72 PolarHBondContact O-N 2.76Å
73D83.5Confident89.2Confident118 Ų11880 Ų8063%0.63140%0.4SS*.THydrogen-bonded Turntrans-137.14.2174.3-79.9-34.7000112.4M38 W70 N71M38-D73 HydrophobicContact CE-CB 4.23Å; M38-D73 VanDerWaalsContact CE-CG 3.41Å; M38-D73 VanDerWaalsContact CE-OD2 3.29Å; M38-D73 WeakPolarHBondContact CE-OD2 3.44Å; W70-D73 WeakPolarHBondContact CZ3-O 3.23Å; N71-D73 VanDerWaalsContact C-N 3.28Å; N71-D73 PolarHBondContact O-N 2.8Å
74E88.2Confident88.8Confident144 Ų14488.4 Ų88.467%0.67344%0.437SS*.EExtended strand (participates in β ladder)trans-108.5126.1-175.4-64.9-172.4168.200110.5W70 N71 I76W70-E74 CarbonylContact C-O 3.55Å; W70-E74 WeakPolarHBondContact CA-O 3.34Å; N71-E74 PolarHBondContact N-O 2.8Å; N71-E74 PolarHBondContact O-N 2.88Å; E74-I76 PolarHBondContact O-N 3.11Å
75Q89.9Confident88.7Confident119 Ų11989.5 Ų89.556%0.55645%0.445SS*.EExtended strand (participates in β ladder)trans-73.2126174.1-173.8-179.3-9.400109.8W70W70-Q75 HydrophobicContact CD2-CB 4.18Å; W70-Q75 HydrophobicContact CE3-CB 4.07Å; W70-Q75 HydrophobicContact CH2-CB 4.15Å; W70-Q75 HydrophobicContact CZ2-CB 4.26Å; W70-Q75 HydrophobicContact CZ3-CB 4.06Å
76I90.4Very high88.8Confident24 Ų2486.6 Ų86.612%0.12343%0.429CS..EExtended strand (participates in β ladder)trans-89.4136.9176.6-65169.6000109.7L60 F69 N71 E74 L78 F91 I93L60-I76 HydrophobicContact CD2-CD1 3.89Å; F69-I76 HydrophobicContact CD1-CB 4.16Å; F69-I76 HydrophobicContact CD1-CD1 3.78Å; F69-I76 HydrophobicContact CE1-CD1 4.09Å; F69-I76 PolarHBondContact O-N 2.78Å; N71-I76 HydrophobicContact CB-CD1 3.47Å; N71-I76 VanDerWaalsContact CB-CD1 3.47Å; N71-I76 HydrophobicContact CB-CG1 3.99Å; E74-I76 PolarHBondContact O-N 3.11Å; I76-L78 HydrophobicContact CG2-CD2 4.42Å; I76-L78 PolarHBondContact O-N 2.92Å; I76-F91 HydrophobicContact CD1-CD2 4.21Å; I76-F91 HydrophobicContact CD1-CE2 4.34Å; I76-F91 HydrophobicContact CG2-CB 3.61Å; I76-F91 HydrophobicContact CG2-CD2 3.97Å; I76-F91 HydrophobicContact CG2-CG 4.03Å; I76-I93 HydrophobicContact CD1-CD1 4.16Å
77Q90.2Very high88.9Confident181 Ų18185 Ų8585%0.84642%0.416SS*.PPolyproline II helixtrans-74.3122.6169.9-170.3173.917.300110.3
78L90.5Very high89.1Confident38 Ų3883.7 Ų83.720%0.19941%0.41CS..PPolyproline II helixtrans-100.9140.5176.9-57.4176.9000110.9F69 I76 Y89 F91F69-L78 HydrophobicContact CB-CD1 3.64Å; F69-L78 HydrophobicContact CB-CD2 3.61Å; F69-L78 HydrophobicContact CB-CG 3.81Å; F69-L78 HydrophobicContact CD1-CD2 4.04Å; F69-L78 HydrophobicContact CG-CD2 3.98Å; I76-L78 HydrophobicContact CG2-CD2 4.42Å; I76-L78 PolarHBondContact O-N 2.92Å; L78-Y89 HydrophobicContact CB-CD1 3.9Å; L78-Y89 HydrophobicContact CD1-CD1 3.57Å; L78-Y89 HydrophobicContact CD1-CE1 4.24Å; L78-Y89 HydrophobicContact CD1-CG 4.09Å; L78-Y89 HydrophobicContact CG-CD1 4.34Å; L78-F91 HydrophobicContact CD2-CB 3.84Å; L78-F91 HydrophobicContact CD2-CD1 3.85Å; L78-F91 HydrophobicContact CD2-CG 4.08Å
79H92.4Very high89.3Confident124 Ų12482.8 Ų82.857%0.57440%0.403SS*.EExtended strand (participates in β ladder)trans-103.5112.7165.1-176.272.8000109.7Y89 T90H79-Y89 WeakPolarHBondContact O-CA 3.43Å; H79-T90 PolarHBondContact N-O 2.75Å; H79-T90 PolarHBondContact O-N 2.94Å; H79-T90 PolarHBondContact O-OG1 2.84Å
80K91.9Very high89.4Confident95 Ų9584.4 Ų84.441%0.41341%0.413SS..EExtended strand (participates in β ladder)trans-88.6129.5-176.6-177.2178.1-179.2161.80111.1E88 Y89K80-E88 CarbonylContact C-O 3.53Å; K80-E88 WeakPolarHBondContact CA-O 3.48Å; K80-Y89 HydrophobicContact CB-CD1 3.96Å; K80-Y89 HydrophobicContact CB-CE1 3.85Å; K80-Y89 HydrophobicContact CD-CE1 3.79Å; K80-Y89 HydrophobicContact CG-CD1 4.21Å; K80-Y89 HydrophobicContact CG-CE1 3.8Å; K80-Y89 PolarHBondContact NZ-OH 2.81Å
81T91.9Very high89.5Confident56 Ų5680.4 Ų80.434%0.34440%0.398SS..EExtended strand (participates in β ladder)trans-122.4119.9167.8-48.10000107.8E88T81-E88 PolarHBondContact N-O 2.99Å; T81-E88 PolarHBondContact O-N 2.86Å
82S87.5Confident89.6Confident85 Ų8584.2 Ų84.259%0.59443%0.426SS*.EExtended strand (participates in β ladder)trans-105.2127.4175.554.10000110.5
83K84.6Confident89.8Confident141 Ų14182.6 Ų82.661%0.61342%0.417SS*.EExtended strand (participates in β ladder)trans-113.3153.8161.6-68.3177.6-179.3171.60107.6D85 I86K83-D85 PolarHBondContact O-N 3.23Å; K83-I86 PolarHBondContact N-O 2.89Å; K83-I86 CarbonylContact O-C 3.53Å; K83-I86 PolarHBondContact O-N 3.48Å
84E83.3Confident89.9Confident196 Ų19681.3 Ų81.392%0.91641%0.409SS*.THydrogen-bonded Turntrans-22.1-67-173-65.8171.1175.700114.7
85D86.3Confident89.8Confident76 Ų7682.5 Ų82.541%0.40642%0.42SS..THydrogen-bonded Turntrans-102.5-2.6-178-62.1-32.5000114.6K83 L103 T104K83-D85 PolarHBondContact O-N 3.23Å; D85-L103 HydrophobicContact CB-CD1 4.33Å; D85-T104 PolarHBondContact O-N 2.64Å; D85-T104 PolarHBondContact O-OG1 2.8Å
86I89.6Confident89.8Confident64 Ų6479.5 Ų79.533%0.32841%0.405SS..EExtended strand (participates in β ladder)trans-130120.8-170.7-57.2173.9000110.9K83 E88 I102 L103K83-I86 PolarHBondContact N-O 2.89Å; K83-I86 CarbonylContact O-C 3.53Å; K83-I86 PolarHBondContact O-N 3.48Å; I86-E88 HydrophobicContact CG2-CG 3.86Å; I86-I102 WeakPolarHBondContact CA-O 3.4Å; I86-L103 HydrophobicContact CD1-CD1 4.17Å; I86-L103 HydrophobicContact CG1-CD1 3.54Å
87Q91.4Very high89.9Confident53 Ų5384.3 Ų84.325%0.24843%0.426CS..EExtended strand (participates in β ladder)trans-101.1121168.4-57.5-174.11200109.9Y89 S101 I102Q87-Y89 HydrophobicContact CB-CE2 4.01Å; Q87-Y89 PolarHBondContact OE1-OH 3.13Å; Q87-S101 CarbonylContact O-C 3.58Å; Q87-S101 WeakPolarHBondContact O-CA 3.45Å; Q87-I102 HydrophobicContact CB-CB 4.35Å; Q87-I102 PolarHBondContact N-O 2.81Å; Q87-I102 PolarHBondContact O-N 3.37Å
88E93.4Very high90.1Very high62 Ų6275.7 Ų75.729%0.2939%0.385SS..EExtended strand (participates in β ladder)trans-108.4129.5176.6-61.8-175.5161.800109.9K80 T81 I86 L100K80-E88 CarbonylContact C-O 3.53Å; K80-E88 WeakPolarHBondContact CA-O 3.48Å; T81-E88 PolarHBondContact N-O 2.99Å; T81-E88 PolarHBondContact O-N 2.86Å; I86-E88 HydrophobicContact CG2-CG 3.86Å; E88-L100 CarbonylContact C-O 3.54Å; E88-L100 WeakPolarHBondContact CA-O 3.41Å
89Y94Very high90.3Very high10 Ų1075.3 Ų75.34%0.03939%0.385CS..EExtended strand (participates in β ladder)trans-113.6112.1174.1-66-96.5000107.7L78 H79 K80 Q87 V99 L100 I102L78-Y89 HydrophobicContact CB-CD1 3.9Å; L78-Y89 HydrophobicContact CD1-CD1 3.57Å; L78-Y89 HydrophobicContact CD1-CE1 4.24Å; L78-Y89 HydrophobicContact CD1-CG 4.09Å; L78-Y89 HydrophobicContact CG-CD1 4.34Å; H79-Y89 WeakPolarHBondContact O-CA 3.43Å; K80-Y89 HydrophobicContact CB-CD1 3.96Å; K80-Y89 HydrophobicContact CB-CE1 3.85Å; K80-Y89 HydrophobicContact CD-CE1 3.79Å; K80-Y89 HydrophobicContact CG-CD1 4.21Å; K80-Y89 HydrophobicContact CG-CE1 3.8Å; K80-Y89 PolarHBondContact NZ-OH 2.81Å; Q87-Y89 HydrophobicContact CB-CE2 4.01Å; Q87-Y89 PolarHBondContact OE1-OH 3.13Å; Y89-V99 CarbonylContact O-C 3.58Å; Y89-V99 WeakPolarHBondContact O-CA 3.41Å; Y89-L100 PolarHBondContact N-O 2.83Å; Y89-L100 PolarHBondContact O-N 3.45Å; Y89-I102 HydrophobicContact CD2-CD1 3.96Å; Y89-I102 HydrophobicContact CD2-CG1 4.36Å; Y89-I102 HydrophobicContact CE2-CD1 3.55Å; Y89-I102 HydrophobicContact CE2-CG1 4.28Å
90T93.9Very high90.3Very high35 Ų3569.4 Ų69.422%0.21536%0.357CS..EExtended strand (participates in β ladder)trans-98.1140.917857.60000109.9H79 G98 V99H79-T90 PolarHBondContact N-O 2.75Å; H79-T90 PolarHBondContact O-N 2.94Å; H79-T90 PolarHBondContact O-OG1 2.84Å; T90-G98 WeakPolarHBondContact CA-O 3.39Å; T90-V99 HydrophobicContact CG2-CG1 4.29Å; T90-V99 HydrophobicContact CG2-CG2 4.12Å
91F93.3Very high90.4Very high8 Ų866.2 Ų66.24%0.03535%0.347CS..EExtended strand (participates in β ladder)trans-152.3167.3179.964.3-86.9000110.6L60 F69 I76 L78 I93 G98 L115L60-F91 HydrophobicContact CD1-CE2 4.42Å; L60-F91 HydrophobicContact CD1-CZ 4.17Å; F69-F91 HydrophobicContact CD1-CD1 4.36Å; F69-F91 HydrophobicContact CD1-CE1 4.19Å; F69-F91 HydrophobicContact CD1-CE2 4.35Å; F69-F91 HydrophobicContact CD1-CZ 4.19Å; F69-F91 HydrophobicContact CE1-CD1 4.14Å; F69-F91 HydrophobicContact CE1-CD2 4.24Å; F69-F91 AromaticContact CE1-CE1 3.54Å; F69-F91 HydrophobicContact CE1-CE1 3.54Å; F69-F91 AromaticContact CE1-CE2 3.65Å; F69-F91 HydrophobicContact CE1-CE2 3.65Å; F69-F91 HydrophobicContact CE1-CG 4.46Å; F69-F91 AromaticContact CE1-CZ 3.26Å; F69-F91 HydrophobicContact CE1-CZ 3.26Å; F69-F91 AromaticContact CZ-CE1 3.91Å; F69-F91 HydrophobicContact CZ-CE1 3.91Å; F69-F91 AromaticContact CZ-CZ 3.76Å; F69-F91 HydrophobicContact CZ-CZ 3.76Å; I76-F91 HydrophobicContact CD1-CD2 4.21Å; I76-F91 HydrophobicContact CD1-CE2 4.34Å; I76-F91 HydrophobicContact CG2-CB 3.61Å; I76-F91 HydrophobicContact CG2-CD2 3.97Å; I76-F91 HydrophobicContact CG2-CG 4.03Å; L78-F91 HydrophobicContact CD2-CB 3.84Å; L78-F91 HydrophobicContact CD2-CD1 3.85Å; L78-F91 HydrophobicContact CD2-CG 4.08Å; F91-I93 HydrophobicContact CD2-CB 4.36Å; F91-I93 HydrophobicContact CD2-CG2 4.26Å; F91-I93 HydrophobicContact CE2-CB 4.22Å; F91-I93 HydrophobicContact CE2-CG2 3.77Å; F91-G98 PolarHBondContact N-O 3.44Å; F91-G98 PolarHBondContact O-N 2.81Å; F91-L115 HydrophobicContact CE1-CD1 3.93Å; F91-L115 HydrophobicContact CZ-CD1 3.84Å
92S90.7Very high90.3Very high97 Ų9763.9 Ų63.968%0.67833%0.332SS*.EExtended strand (participates in β ladder)trans-121.7132.6175.5-59.20000109.6H96S92-H96 WeakPolarHBondContact CA-O 3.46Å
93I89.5Confident90.4Very high9 Ų962.5 Ų62.55%0.04632%0.318CS..EExtended strand (participates in β ladder)trans-137.3126.2178.1-179.2162.7000108.8F58 L60 N71 I76 F91 N95 H96F58-I93 HydrophobicContact CD2-CD1 3.68Å; F58-I93 HydrophobicContact CE1-CD1 4.43Å; F58-I93 HydrophobicContact CE2-CD1 3.33Å; F58-I93 HydrophobicContact CE2-CG1 4.34Å; F58-I93 HydrophobicContact CG-CD1 4.38Å; F58-I93 HydrophobicContact CZ-CD1 3.74Å; F58-I93 HydrophobicContact CZ-CG1 4.29Å; F58-I93 HydrophobicContact CZ-CG2 4.4Å; L60-I93 HydrophobicContact CD2-CD1 3.9Å; N71-I93 HydrophobicContact CB-CD1 3.96Å; N71-I93 WeakPolarHBondContact ND2-CD1 3.39Å; I76-I93 HydrophobicContact CD1-CD1 4.16Å; F91-I93 HydrophobicContact CD2-CB 4.36Å; F91-I93 HydrophobicContact CD2-CG2 4.26Å; F91-I93 HydrophobicContact CE2-CB 4.22Å; F91-I93 HydrophobicContact CE2-CG2 3.77Å; I93-N95 PolarHBondContact O-N 2.67Å; I93-N95 VanDerWaalsContact O-N 3.08Å; I93-H96 PolarHBondContact N-O 3Å; I93-H96 WeakPolarHBondContact O-CA 3.41Å; I93-H96 VanDerWaalsContact O-CB 3.31Å; I93-H96 WeakPolarHBondContact O-CB 3.39Å; I93-H96 PolarHBondContact O-N 3.21Å
94M85.8Confident90.5Very high90 Ų9058.7 Ų58.744%0.44331%0.306SS..THydrogen-bonded Turntrans49.739.6177.2-59.4176.6179.300113.5D56 F58 H96D56-M94 HydrophobicContact CB-SD 3.97Å; F58-M94 HydrophobicContact CD1-CE 3.94Å; F58-M94 HydrophobicContact CD1-SD 3.93Å; F58-M94 HydrophobicContact CE1-CE 4.47Å; F58-M94 HydrophobicContact CE1-SD 3.9Å; F58-M94 HydrophobicContact CG-CE 4.44Å; M94-H96 PolarHBondContact O-CD2 3Å; M94-H96 PolarHBondContact O-N 2.95Å
95N85.8Confident90.2Very high170 Ų17052 Ų5291%0.90928%0.277SS*.THydrogen-bonded Turntrans65.53.8-173.2-54.8-31.5000116.6I93I93-N95 PolarHBondContact O-N 2.67Å; I93-N95 VanDerWaalsContact O-N 3.08Å
96H89.6Confident89.6Confident55 Ų5554.7 Ų54.726%0.25530%0.296SS..EExtended strand (participates in β ladder)trans-91.2145.5170.4-60.3-75.8000110.9L53 S92 I93 M94 I117 D118L53-H96 HydrophobicContact CD1-CB 4.35Å; L53-H96 VanDerWaalsContact CD1-CD2 3.48Å; L53-H96 WeakPolarHBondContact CD1-CD2 3.38Å; S92-H96 WeakPolarHBondContact CA-O 3.46Å; I93-H96 PolarHBondContact N-O 3Å; I93-H96 WeakPolarHBondContact O-CA 3.41Å; I93-H96 VanDerWaalsContact O-CB 3.31Å; I93-H96 WeakPolarHBondContact O-CB 3.39Å; I93-H96 PolarHBondContact O-N 3.21Å; M94-H96 PolarHBondContact O-CD2 3Å; M94-H96 PolarHBondContact O-N 2.95Å; H96-I117 HydrophobicContact CB-CG2 3.7Å; H96-D118 WeakPolarHBondContact CA-OD1 3.25Å; H96-D118 IonicContact CE1-OD2 3.59Å; H96-D118 IonicContact CG-OD2 3.6Å; H96-D118 IonicContact ND1-OD1 3.89Å; H96-D118 IonicContact ND1-OD2 2.64Å; H96-D118 PolarHBondContact ND1-OD2 3.47Å
97K92.4Very high89Confident126 Ų12658.5 Ų58.555%0.54832%0.317SS..EExtended strand (participates in β ladder)trans-91.9115.5177.1-177-178175.4-175.20109.3I117 D118K97-I117 WeakPolarHBondContact O-CA 3.39Å; K97-D118 PolarHBondContact N-OD1 3.11Å; K97-D118 PolarHBondContact O-N 2.87Å
98G93.9Very high88Confident0 Ų060.1 Ų60.10%032%0.324CS..EExtended strand (participates in β ladder)trans-94.1142.5172.400000112.4T90 F91 C116T90-G98 WeakPolarHBondContact CA-O 3.39Å; F91-G98 PolarHBondContact N-O 3.44Å; F91-G98 PolarHBondContact O-N 2.81Å; G98-C116 CarbonylContact C-O 3.57Å; G98-C116 WeakPolarHBondContact CA-O 3.31Å
99V94.4Very high87.1Confident30 Ų3065.2 Ų65.218%0.18235%0.353CS..EExtended strand (participates in β ladder)trans-135.2117.6172.3-173.70000108.4Y89 T90 C116Y89-V99 CarbonylContact O-C 3.58Å; Y89-V99 WeakPolarHBondContact O-CA 3.41Å; T90-V99 HydrophobicContact CG2-CG1 4.29Å; T90-V99 HydrophobicContact CG2-CG2 4.12Å; V99-C116 PolarHBondContact N-O 3.32Å; V99-C116 PolarHBondContact O-N 2.72Å
100L93.9Very high86.5Confident0 Ų068.9 Ų68.90%038%0.377CS..EExtended strand (participates in β ladder)trans-100.5112.3169.3170.267.7000108.6W49 Y62 F69 E88 Y89 I102 K114 L115W49-L100 HydrophobicContact CH2-CD1 3.68Å; W49-L100 HydrophobicContact CZ2-CD1 4Å; Y62-L100 HydrophobicContact CD1-CD2 4.22Å; Y62-L100 HydrophobicContact CD2-CD2 3.53Å; Y62-L100 HydrophobicContact CE1-CD2 4.44Å; Y62-L100 HydrophobicContact CE2-CD2 3.75Å; Y62-L100 HydrophobicContact CG-CD2 3.74Å; F69-L100 HydrophobicContact CD2-CD2 4.25Å; F69-L100 HydrophobicContact CE2-CD2 4.15Å; E88-L100 CarbonylContact C-O 3.54Å; E88-L100 WeakPolarHBondContact CA-O 3.41Å; Y89-L100 PolarHBondContact N-O 2.83Å; Y89-L100 PolarHBondContact O-N 3.45Å; L100-I102 HydrophobicContact CD2-CD1 4.46Å; L100-I102 HydrophobicContact CG-CG1 4.25Å; L100-K114 CarbonylContact C-O 3.54Å; L100-K114 WeakPolarHBondContact CA-O 3.48Å; L100-L115 HydrophobicContact CB-CD1 4.36Å
101S92.3Very high86.2Confident27 Ų2769.1 Ų69.119%0.18938%0.379CS..EExtended strand (participates in β ladder)trans-101.1128.5175.9-580000109.9Q87 K114Q87-S101 CarbonylContact O-C 3.58Å; Q87-S101 WeakPolarHBondContact O-CA 3.45Å; S101-K114 PolarHBondContact N-O 2.74Å; S101-K114 PolarHBondContact O-N 2.77Å
102I91.7Very high85.9Confident7 Ų771.6 Ų71.64%0.03639%0.392CS..EExtended strand (participates in β ladder)trans-116.7107.9178.1-47.8-178.3000107Y62 I86 Q87 Y89 L100 P111 I112 Y113Y62-I102 HydrophobicContact CE1-CD1 3.86Å; Y62-I102 WeakPolarHBondContact OH-CD1 3.48Å; I86-I102 WeakPolarHBondContact CA-O 3.4Å; Q87-I102 HydrophobicContact CB-CB 4.35Å; Q87-I102 PolarHBondContact N-O 2.81Å; Q87-I102 PolarHBondContact O-N 3.37Å; Y89-I102 HydrophobicContact CD2-CD1 3.96Å; Y89-I102 HydrophobicContact CD2-CG1 4.36Å; Y89-I102 HydrophobicContact CE2-CD1 3.55Å; Y89-I102 HydrophobicContact CE2-CG1 4.28Å; L100-I102 HydrophobicContact CD2-CD1 4.46Å; L100-I102 HydrophobicContact CG-CG1 4.25Å; I102-P111 HydrophobicContact CG2-CB 4.1Å; I102-I112 WeakPolarHBondContact CA-O 3.44Å; I102-Y113 HydrophobicContact CB-CD1 4.37Å; I102-Y113 HydrophobicContact CB-CE1 4.49Å; I102-Y113 HydrophobicContact CD1-CD1 4.01Å; I102-Y113 HydrophobicContact CD1-CE1 3.88Å; I102-Y113 HydrophobicContact CG1-CD1 3.8Å; I102-Y113 HydrophobicContact CG1-CE1 4.09Å; I102-Y113 HydrophobicContact CG2-CD1 3.93Å; I102-Y113 HydrophobicContact CG2-CE1 3.68Å
103L89.4Confident85.9Confident56 Ų5668.8 Ų68.829%0.29337%0.367SS..EExtended strand (participates in β ladder)trans-94.2114.9176.9175.669.2000108.6D85 I86 P111 I112D85-L103 HydrophobicContact CB-CD1 4.33Å; I86-L103 HydrophobicContact CD1-CD1 4.17Å; I86-L103 HydrophobicContact CG1-CD1 3.54Å; L103-P111 WeakPolarHBondContact O-CA 3.11Å; L103-I112 HydrophobicContact CB-CB 4.37Å; L103-I112 PolarHBondContact N-O 3.13Å; L103-I112 PolarHBondContact O-N 2.65Å
104T85.4Confident86Confident62 Ų6272.8 Ų72.838%0.3838%0.384SS..  trans-106.191.2172.647.10000107.7D85 P111D85-T104 PolarHBondContact O-N 2.64Å; D85-T104 PolarHBondContact O-OG1 2.8Å; T104-P111 HydrophobicContact CG2-CB 4.01Å
105N78.2Confident86.3Confident56 Ų5668.5 Ų68.530%0.29936%0.363SS..  trans-90.2134.7175.6-169.8-43.7000109.7N107 Q108N105-N107 PolarHBondContact O-N 2.91Å; N105-N107 VanDerWaalsContact O-N 3.14Å; N105-N107 WeakPolarHBondContact OD1-CB 3.21Å; N105-N107 PolarHBondContact OD1-N 2.84Å; N105-Q108 HydrophobicContact CB-CB 4.4Å; N105-Q108 HydrophobicContact CB-CG 4.46Å; N105-Q108 PolarHBondContact O-N 2.81Å
106V72.7Confident86.6Confident131 Ų13161.8 Ų61.879%0.79433%0.329SS*.THydrogen-bonded Turntrans-56.3-30177.6-169.20000112.5
107N77.4Confident86.8Confident144 Ų14459.3 Ų59.377%0.7732%0.318SS*.THydrogen-bonded Turntrans-81.5-12.2-179.8-63.9-26.7000113.8N105N105-N107 PolarHBondContact O-N 2.91Å; N105-N107 VanDerWaalsContact O-N 3.14Å; N105-N107 WeakPolarHBondContact OD1-CB 3.21Å; N105-N107 PolarHBondContact OD1-N 2.84Å
108Q69.9Low86.7Confident88 Ų8857.3 Ų57.341%0.41131%0.313SS..  trans-112.9123.4-179-68.9-176.9-14.900110N105 T110N105-Q108 HydrophobicContact CB-CB 4.4Å; N105-Q108 HydrophobicContact CB-CG 4.46Å; N105-Q108 PolarHBondContact O-N 2.81Å; Q108-T110 PolarHBondContact O-N 3.33Å
109N74.7Confident86.5Confident168 Ų16860.4 Ų60.490%0.89835%0.345SS*.SBendtrans-66.4-18.4178.7-69.518.6000113
110T81.8Confident86.3Confident87 Ų8764.2 Ų64.253%0.53436%0.364SS..SBendtrans-121.7126.4-176.658.10000111.4Q108Q108-T110 PolarHBondContact O-N 3.33Å
111P86.8Confident86.1Confident40 Ų4069.4 Ų69.426%0.2639%0.388SS..  trans-61.1141.6173.921.5-29.8000111.5I102 L103 T104 Y113I102-P111 HydrophobicContact CG2-CB 4.1Å; L103-P111 WeakPolarHBondContact O-CA 3.11Å; T104-P111 HydrophobicContact CG2-CB 4.01Å; P111-Y113 HydrophobicContact CB-CE2 3.91Å; P111-Y113 HydrophobicContact CG-CE2 3.67Å; P111-Y113 VanDerWaalsContact CG-OH 3.26Å; P111-Y113 WeakPolarHBondContact CG-OH 3.25Å; P111-Y113 WeakPolarHBondContact O-CD2 3.45Å; P111-Y113 VanDerWaalsContact O-CE2 3.3Å; P111-Y113 WeakPolarHBondContact O-CE2 3.43Å
112I88.4Confident86Confident61 Ų6169.7 Ų69.731%0.31339%0.388SS..EExtended strand (participates in β ladder)trans-94.2129.9173.8-61.7178.2000108.3I102 L103 K114I102-I112 WeakPolarHBondContact CA-O 3.44Å; L103-I112 HydrophobicContact CB-CB 4.37Å; L103-I112 PolarHBondContact N-O 3.13Å; L103-I112 PolarHBondContact O-N 2.65Å; I112-K114 HydrophobicContact CG2-CG 4.16Å
113Y90Very high85.6Confident37 Ų3779.9 Ų79.915%0.14543%0.426CS..EExtended strand (participates in β ladder)trans-112.3122.6178.6-57.3-97.8000109.1I47 Y62 K64 I102 P111I47-Y113 HydrophobicContact CD1-CD1 3.43Å; I47-Y113 VanDerWaalsContact CD1-CD1 3.43Å; I47-Y113 HydrophobicContact CD1-CD2 3.18Å; I47-Y113 HydrophobicContact CD1-CE1 3.74Å; I47-Y113 HydrophobicContact CD1-CE2 3.49Å; I47-Y113 VanDerWaalsContact CD1-CE2 3.49Å; I47-Y113 HydrophobicContact CD1-CG 3.13Å; Y62-Y113 HydrophobicContact CD1-CD1 4.31Å; Y62-Y113 HydrophobicContact CD1-CE1 4.18Å; Y62-Y113 HydrophobicContact CE1-CD1 4.21Å; Y62-Y113 AromaticContact CE1-CE1 3.77Å; Y62-Y113 HydrophobicContact CE1-CE1 3.77Å; K64-Y113 WeakPolarHBondContact CD-OH 3.41Å; K64-Y113 WeakPolarHBondContact CE-OH 3.4Å; K64-Y113 HydrophobicContact CG-CE1 4.3Å; K64-Y113 WeakPolarHBondContact CG-OH 3.28Å; I102-Y113 HydrophobicContact CB-CD1 4.37Å; I102-Y113 HydrophobicContact CB-CE1 4.49Å; I102-Y113 HydrophobicContact CD1-CD1 4.01Å; I102-Y113 HydrophobicContact CD1-CE1 3.88Å; I102-Y113 HydrophobicContact CG1-CD1 3.8Å; I102-Y113 HydrophobicContact CG1-CE1 4.09Å; I102-Y113 HydrophobicContact CG2-CD1 3.93Å; I102-Y113 HydrophobicContact CG2-CE1 3.68Å; P111-Y113 HydrophobicContact CB-CE2 3.91Å; P111-Y113 HydrophobicContact CG-CE2 3.67Å; P111-Y113 VanDerWaalsContact CG-OH 3.26Å; P111-Y113 WeakPolarHBondContact CG-OH 3.25Å; P111-Y113 WeakPolarHBondContact O-CD2 3.45Å; P111-Y113 VanDerWaalsContact O-CE2 3.3Å; P111-Y113 WeakPolarHBondContact O-CE2 3.43Å
114K91.7Very high85Confident93 Ų9379.3 Ų79.340%0.40443%0.426SS..EExtended strand (participates in β ladder)trans-122.5128176.6-66.6-168.6169.4-151.40109.5L100 S101 I112 E121L100-K114 CarbonylContact C-O 3.54Å; L100-K114 WeakPolarHBondContact CA-O 3.48Å; S101-K114 PolarHBondContact N-O 2.74Å; S101-K114 PolarHBondContact O-N 2.77Å; I112-K114 HydrophobicContact CG2-CG 4.16Å; K114-E121 IonicContact NZ-OE1 3.6Å; K114-E121 IonicContact NZ-OE2 3.62Å
115L92.9Very high84Confident0 Ų080.9 Ų80.90%043%0.432CS..EExtended strand (participates in β ladder)trans-108.6126.1175176.866.6000108.3W49 V51 L60 F69 F91 L100 E121 I122W49-L115 HydrophobicContact CB-CD2 3.67Å; W49-L115 HydrophobicContact CD2-CB 4.09Å; W49-L115 HydrophobicContact CD2-CD2 3.76Å; W49-L115 HydrophobicContact CE3-CD2 4.24Å; W49-L115 HydrophobicContact CG-CB 4.23Å; W49-L115 HydrophobicContact CG-CD2 3.49Å; W49-L115 VanDerWaalsContact CG-CD2 3.49Å; W49-L115 HydrophobicContact CZ2-CB 4.12Å; V51-L115 HydrophobicContact CG2-CD2 4.42Å; L60-L115 HydrophobicContact CD1-CD2 3.71Å; F69-L115 HydrophobicContact CZ-CD1 4.09Å; F91-L115 HydrophobicContact CE1-CD1 3.93Å; F91-L115 HydrophobicContact CZ-CD1 3.84Å; L100-L115 HydrophobicContact CB-CD1 4.36Å; L115-E121 CarbonylContact O-C 3.53Å; L115-E121 WeakPolarHBondContact O-CA 3.29Å; L115-I122 HydrophobicContact CB-CB 4.48Å; L115-I122 HydrophobicContact CD2-CB 4.14Å; L115-I122 HydrophobicContact CD2-CG1 4.37Å; L115-I122 HydrophobicContact CG-CB 4.35Å; L115-I122 HydrophobicContact CG-CG1 4.47Å; L115-I122 PolarHBondContact O-N 3.08Å
116C91.8Very high83.1Confident30 Ų3085.7 Ų85.720%0.20345%0.445CS..EExtended strand (participates in β ladder)trans-121.1135172.7-630000109.9G98 V99 N120G98-C116 CarbonylContact C-O 3.57Å; G98-C116 WeakPolarHBondContact CA-O 3.31Å; V99-C116 PolarHBondContact N-O 3.32Å; V99-C116 PolarHBondContact O-N 2.72Å; C116-N120 CarbonylContact C-O 3.39Å; C116-N120 VanDerWaalsContact CA-O 3.23Å; C116-N120 WeakPolarHBondContact CA-O 3.36Å
117I92.5Very high82Confident2 Ų283.2 Ų83.21%0.0143%0.434CS..EExtended strand (participates in β ladder)trans-121.5122.4172.7-61.5174.6000107.4V51 L53 F58 L60 H96 K97 G119 N120 I122V51-I117 HydrophobicContact CB-CD1 4.29Å; V51-I117 HydrophobicContact CG1-CD1 3.52Å; V51-I117 HydrophobicContact CG2-CD1 3.8Å; L53-I117 HydrophobicContact CD1-CG2 4.03Å; L53-I117 HydrophobicContact CD2-CG2 4.27Å; F58-I117 HydrophobicContact CE2-CD1 4.46Å; F58-I117 HydrophobicContact CZ-CD1 4.26Å; L60-I117 HydrophobicContact CD1-CD1 4.12Å; H96-I117 HydrophobicContact CB-CG2 3.7Å; K97-I117 WeakPolarHBondContact O-CA 3.39Å; I117-G119 PolarHBondContact O-N 3.07Å; I117-G119 VanDerWaalsContact O-N 3.13Å; I117-N120 PolarHBondContact N-O 2.76Å; I117-N120 WeakPolarHBondContact O-CB 3.43Å; I117-N120 PolarHBondContact O-N 3.19Å; I117-I122 HydrophobicContact CD1-CG1 4.12Å; I117-I122 HydrophobicContact CG1-CG1 4.24Å
118D90.5Very high80.5Confident84 Ų8484.2 Ų84.245%0.44943%0.434SS..THydrogen-bonded Turntrans51.832.4-172.4-68.4-6.2000113.8H96 K97 N120H96-D118 WeakPolarHBondContact CA-OD1 3.25Å; H96-D118 IonicContact CE1-OD2 3.59Å; H96-D118 IonicContact CG-OD2 3.6Å; H96-D118 IonicContact ND1-OD1 3.89Å; H96-D118 IonicContact ND1-OD2 2.64Å; H96-D118 PolarHBondContact ND1-OD2 3.47Å; K97-D118 PolarHBondContact N-OD1 3.11Å; K97-D118 PolarHBondContact O-N 2.87Å; D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 3.19Å
119G89.4Confident79.3Confident65 Ų6587.2 Ų87.267%0.6745%0.452SS*.THydrogen-bonded Turntrans83.9-4.8-177.200000114.9I117I117-G119 PolarHBondContact O-N 3.07Å; I117-G119 VanDerWaalsContact O-N 3.13Å
120N90.4Very high77.9Confident111 Ų11183.6 Ų83.659%0.59444%0.44SS*.EExtended strand (participates in β ladder)trans-89.1119.8175.5-62-45.9000110.7C116 I117 D118 I122C116-N120 CarbonylContact C-O 3.39Å; C116-N120 VanDerWaalsContact CA-O 3.23Å; C116-N120 WeakPolarHBondContact CA-O 3.36Å; I117-N120 PolarHBondContact N-O 2.76Å; I117-N120 WeakPolarHBondContact O-CB 3.43Å; I117-N120 PolarHBondContact O-N 3.19Å; D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 3.19Å; N120-I122 PolarHBondContact O-N 2.74Å
121E90.2Very high76.4Confident108 Ų10886.7 Ų86.751%0.50545%0.451SS..EExtended strand (participates in β ladder)trans-70.5120.7177.9-172.9172.717300110.8K114 L115K114-E121 IonicContact NZ-OE1 3.6Å; K114-E121 IonicContact NZ-OE2 3.62Å; L115-E121 CarbonylContact O-C 3.53Å; L115-E121 WeakPolarHBondContact O-CA 3.29Å
122I89.9Confident74.4Confident33 Ų3389.6 Ų89.617%0.16947%0.473CS..EExtended strand (participates in β ladder)trans-91.6119.8174.3-50.3-57.4000108.5W49 V51 L115 I117 N120 C124W49-I122 HydrophobicContact CB-CG2 4.24Å; V51-I122 HydrophobicContact CG1-CD1 4.32Å; V51-I122 HydrophobicContact CG2-CG2 4.26Å; L115-I122 HydrophobicContact CB-CB 4.48Å; L115-I122 HydrophobicContact CD2-CB 4.14Å; L115-I122 HydrophobicContact CD2-CG1 4.37Å; L115-I122 HydrophobicContact CG-CB 4.35Å; L115-I122 HydrophobicContact CG-CG1 4.47Å; L115-I122 PolarHBondContact O-N 3.08Å; I117-I122 HydrophobicContact CD1-CG1 4.12Å; I117-I122 HydrophobicContact CG1-CG1 4.24Å; N120-I122 PolarHBondContact O-N 2.74Å; I122-C124 PolarHBondContact O-N 2.68Å
123R83.5Confident72.6Confident221 Ų22195.2 Ų95.283%0.83450%0.498SS*.PPolyproline II helixtrans-69132.8177.9-66.1-174.4179.6-179.20.5110.3
124C75.9Confident70.3Confident44 Ų44102.9 Ų102.930%0.29753%0.532SS..PPolyproline II helixtrans-68.6135.6172.3-177.50000109.6I47 I122 R126I47-C124 WeakPolarHBondContact CG2-SG 3.22Å; I122-C124 PolarHBondContact O-N 2.68Å; C124-R126 PolarHBondContact O-N 2.74Å
125L66.5Low67.8Low96 Ų96111.1 Ų111.150%0.50357%0.568SS.*  trans-75.776163.3-71.1165.7000107.3N50 S127N50-L125 HydrophobicContact CB-CD1 3.88Å; N50-L125 WeakPolarHBondContact ND2-CD1 3.3Å; L125-S127 PolarHBondContact O-N 2.75Å
126R58.4Low66.6Low157 Ų157116.7 Ų116.759%0.59260%0.596SS**  trans-71.6118.5159.8-87.4-168.3174.4175.11106.1C124 E128C124-R126 PolarHBondContact O-N 2.74Å; R126-E128 PolarHBondContact O-N 2.77Å
127S48.8Very low65.3Low78 Ų78121.3 Ų121.355%0.54562%0.617SS.*  trans-5897.615240.50000105.3L125 L129L125-S127 PolarHBondContact O-N 2.75Å; S127-L129 PolarHBondContact O-N 2.76Å
128E46.7Very low63.8Low166 Ų166127.9 Ų127.978%0.77665%0.65SS**  trans-57.687.2152.6-71.3168.8169.400104.5R126 S130R126-E128 PolarHBondContact O-N 2.77Å; E128-S130 PolarHBondContact O-N 3.03Å
129L44.3Very low62.2Low150 Ų150130.5 Ų130.579%0.78566%0.662SS**  trans-63.476.4148.1-73.7168000103.8S127 I131S127-L129 PolarHBondContact O-N 2.76Å; L129-I131 PolarHBondContact O-N 3.17Å
130S44.8Very low60.5Low92 Ų92134.6 Ų134.664%0.64366%0.662SS**  trans-53102.5152.9-50.20000102.7E128 S132E128-S130 PolarHBondContact O-N 3.03Å; S130-S132 PolarHBondContact O-N 3.31Å
131I50.1Low58.5Low152 Ų152136.1 Ų136.178%0.77967%0.666SS**  trans-55.793156.9-61.7165.2000101.8L129 E133L129-I131 PolarHBondContact O-N 3.17Å; I131-E133 PolarHBondContact O-N 3.27Å
132S45.2Very low56.2Low101 Ų101138.1 Ų138.171%0.70668%0.678SS**  trans-63.796.8168.6-171.50000102.2S130 K134S130-S132 PolarHBondContact O-N 3.31Å; S132-K134 PolarHBondContact O-N 3.21Å
133E50.4Low53.6Low179 Ų179146.2 Ų146.284%0.83672%0.717SS**  trans-56.579.4166.2-68.6-176.7128.800106.6I131 K135I131-E133 PolarHBondContact O-N 3.27Å; E133-K135 PolarHBondContact O-N 3.17Å; E133-K135 VanDerWaalsContact O-N 3.11Å
134K41.6Very low51.1Low198 Ų198140 Ų14086%0.86171%0.707SS**  trans-86.477.4167.9-145.8177.9-175.5-176.70106S132S132-K134 PolarHBondContact O-N 3.21Å
135K41.1Very low48.9Very low267 Ų267148.7 Ų148.7100%1.16174%0.744SS**  trans-75.30159.9-169.3-178.1179-168.40109.4E133E133-K135 PolarHBondContact O-N 3.17Å; E133-K135 VanDerWaalsContact O-N 3.11Å

Retrieved 135 of 135 residues in 37.5 ms (Link to these results)