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Secreted frizzled-related protein 2

Soluble frizzled-related proteins (sFRPS) function as modulators of Wnt signaling through direct interaction with Wnts. They have a role in regulating cell growth and differentiation in specific cell types. SFRP2 may be important for eye retinal development and for myogenesis.

AlphaFold DB (A0A2K5NZM3), UniProt , Accession A0A096MRM0, Species PAPAN (Papio anubis, Olive baboon), Gene SFRP2, Length 295 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M34Very low36.4Very low237 Ų237145.7 Ų145.7100%1.16785%0.848SS**  0113.90-67.6177.1171.400106.3
2L35.5Very low36.6Very low167 Ų167144.2 Ų144.287%0.87484%0.841SS**  cis-149.1145.213.3-129.675000109.5
3Q29.6Very low36.6Very low188 Ų188145.5 Ų145.588%0.87984%0.841SS**  trans-69.2140.1162.6-83.1138.4-43.100110.8
4G31.1Very low36.7Very low72 Ų72141.8 Ų141.874%0.74284%0.837SS**  103.2-177.1103.200000112
5P52.8Low36.9Very low139 Ų139138.7 Ų138.790%0.90383%0.825SS**  -135.9-171.8-52.938.9-22.1000113.3
6G33.4Very low37.2Very low72 Ų72141.1 Ų141.174%0.74283%0.825SS**  trans108.3112.915800000115.5
7S36.6Very low37.2Very low116 Ų116139.9 Ų139.981%0.81183%0.825SS**  cis87.413844.8-1500000115.2
8L37.9Very low37.2Very low155 Ų155138.3 Ų138.381%0.81282%0.82SS**  trans85.7101.3170.7-68.9123.5000118.5
9L37.5Very low37.5Very low143 Ų143140.1 Ų140.175%0.74983%0.825SS**  56.7114.575.5-106.3118.8000115.6L11L9-L11 HydrophobicContact CD2-CD1 3.92Å; L9-L11 HydrophobicContact CD2-CG 4.16Å
10L36.9Very low37.5Very low178 Ų178136.9 Ų136.993%0.93282%0.823SS**  trans-146.5119.8145-107.3157000110.1
11L35.2Very low37.6Very low136 Ų136135.9 Ų135.971%0.71282%0.822SS**  trans-75.5173.9176.6-77140.4000112.4L9L9-L11 HydrophobicContact CD2-CD1 3.92Å; L9-L11 HydrophobicContact CD2-CG 4.16Å
12V38.8Very low38.3Very low127 Ų127129.1 Ų129.177%0.7780%0.804SS**  trans128.5127.6141.1168.70000110.7
13L36Very low38.5Very low161 Ų161132.1 Ų132.184%0.84380%0.803SS**  cis-160.5166.4-1.2-102.3171.6000109.7
14A39Very low39.3Very low94 Ų94126.5 Ų126.578%0.77780%0.796SS**  trans-74.1170.1-172.800000117.4
15S39Very low39.9Very low95 Ų95130.9 Ų130.966%0.66480%0.802SS**  trans130.4115141.2-149.60000110.6
16H41.7Very low39.5Very low178 Ų178132.7 Ų132.782%0.82480%0.796SS**  -153.9139.765.9-81.567.3000112.6
17C36.8Very low39.8Very low121 Ų121137.5 Ų137.582%0.81880%0.804SS**  trans-70.2137.4163.1-147.40000109.6
18C37.6Very low40.3Very low110 Ų110141.3 Ų141.374%0.74381%0.806SS**  174.3121.7129-93.90000113.1
19L43.7Very low40.8Very low173 Ų173137.2 Ų137.291%0.90680%0.801SS**  trans55.8118144.9-8568.9000120.6
20G35.9Very low41.3Very low76 Ų76139 Ų13978%0.78481%0.806SS**  trans156.886.1145.600000118.2
21S39.5Very low41.7Very low116 Ų116135.3 Ų135.381%0.81179%0.793SS**  trans58.4114.7144.6-1490000120.8R23S21-R23 PolarHBondContact O-N 3.25Å
22A48.9Very low42.2Very low95 Ų95136.4 Ų136.479%0.78580%0.799SS**  trans-56.9130.1160.100000111.4
23R41.2Very low42.6Very low229 Ų229138.7 Ų138.786%0.86480%0.799SS**  trans-160.1103.8151.6-108166.7-175.1-160.2-0.9109.3S21 L25S21-R23 PolarHBondContact O-N 3.25Å; R23-L25 PolarHBondContact O-N 3.37Å
24G45.2Very low43.3Very low71 Ų71135.5 Ų135.573%0.73279%0.79SS**  trans-59.2119.1163.700000109
25L43.2Very low43.9Very low163 Ų163141.3 Ų141.385%0.85379%0.794SS**  trans-92.696165.5-74.3166.2000106.6R23 L27R23-L25 PolarHBondContact O-N 3.37Å; L25-L27 PolarHBondContact O-N 2.82Å
26F46.2Very low44.8Very low177 Ų177144.4 Ų144.478%0.77680%0.795SS**  trans-51.9127156.4-76.8-94.4000107.9F28F26-F28 VanDerWaalsContact C-N 3.31Å; F26-F28 PolarHBondContact O-N 3.45Å
27L38.5Very low45.8Very low174 Ų174146.5 Ų146.591%0.91180%0.796SS**  trans-57.2102.4156.7-106.573.8000106L25 G29L25-L27 PolarHBondContact O-N 2.82Å; L27-G29 PolarHBondContact O-N 3.47Å
28F48Very low47.7Very low195 Ų195143.6 Ų143.686%0.85578%0.777SS**  trans-63104.6162.3-81.2-85.5000106.3F26 Q30F26-F28 VanDerWaalsContact C-N 3.31Å; F26-F28 PolarHBondContact O-N 3.45Å; F28-Q30 PolarHBondContact O-N 3.36Å
29G47.4Very low50Low70 Ų70141.5 Ų141.572%0.72276%0.758SS**  trans-51.7126.2166.400000108.3L27L27-G29 PolarHBondContact O-N 3.47Å
30Q47.8Very low52.3Low179 Ų179134.3 Ų134.384%0.83672%0.722SS**  trans-56.1134.9169.6-67-173.5-81.500107.8F28 D32F28-Q30 PolarHBondContact O-N 3.36Å; Q30-D32 PolarHBondContact O-N 3.49Å
31P46.3Very low55Low102 Ų102134 Ų13466%0.66270%0.699SS**  trans-64.7114.1166.826.8-28.5000106.3F33P31-F33 HydrophobicContact CB-CD2 4.42Å; P31-F33 HydrophobicContact CG-CD2 4.25Å; P31-F33 HydrophobicContact CG-CE2 4.19Å; P31-F33 PolarHBondContact O-N 3.03Å
32D44.7Very low57.7Low159 Ų159132.6 Ų132.685%0.8569%0.688SS**  trans-58.594.1160.7-87.2-35.5000106.3Q30 S34Q30-D32 PolarHBondContact O-N 3.49Å; D32-S34 PolarHBondContact O-N 2.93Å
33F47.8Very low60Low174 Ų174128.9 Ų128.976%0.76365%0.654SS**  trans-64.980.5158.7-91.2-90.7000106.1P31 Y35P31-F33 HydrophobicContact CB-CD2 4.42Å; P31-F33 HydrophobicContact CG-CD2 4.25Å; P31-F33 HydrophobicContact CG-CE2 4.19Å; P31-F33 PolarHBondContact O-N 3.03Å; F33-Y35 PolarHBondContact O-N 3.41Å
34S50.4Low62.6Low94 Ų94119.7 Ų119.766%0.65762%0.624SS**  trans-58.898.4159.5-172.80000105.2D32 K36D32-S34 PolarHBondContact O-N 2.93Å; S34-K36 PolarHBondContact O-N 3.4Å
35Y52.4Low64.8Low217 Ų217119.3 Ų119.385%0.85161%0.614SS**  trans-59.883.4161.2-94.4-92.6000105.8F33 R37F33-Y35 PolarHBondContact O-N 3.41Å; Y35-R37 PolarHBondContact O-N 3.27Å
36K57.5Low67Low160 Ų160116.2 Ų116.270%0.69660%0.598SS**  trans-54.7112.2167.7-84.6-172.3175.1-175.70104.7S34 S38 D108S34-K36 PolarHBondContact O-N 3.4Å; K36-S38 PolarHBondContact O-N 2.99Å; K36-D108 IonicContact NZ-OD2 3.71Å
37R63.3Low69.3Low222 Ų222107.9 Ų107.984%0.83856%0.562SS**  trans-56.3115.6175.3-164.2171.7-167.6163.21.3105.8Y35 N39Y35-R37 PolarHBondContact O-N 3.27Å; R37-N39 PolarHBondContact O-N 3.28Å; R37-N39 VanDerWaalsContact O-N 3.14Å
38S75.4Confident71.8Confident60 Ų60102.7 Ų102.742%0.4253%0.533SS..  trans-56.1126.4-177172.20000109K36 C40 K41K36-S38 PolarHBondContact O-N 2.99Å; S38-C40 PolarHBondContact O-N 2.78Å; S38-C40 WeakPolarHBondContact OG-CB 3.38Å; S38-C40 PolarHBondContact OG-N 3.3Å; S38-C40 VanDerWaalsContact OG-N 3.11Å; S38-K41 PolarHBondContact O-NZ 3.48Å
39N85.7Confident74Confident66 Ų6693.7 Ų93.735%0.35349%0.494SS..SBendtrans-69.3-8.5174.3-71.7-22000111.1R37 R59 L60R37-N39 PolarHBondContact O-N 3.28Å; R37-N39 VanDerWaalsContact O-N 3.14Å; N39-R59 HydrophobicContact CB-CG 3.87Å; N39-R59 PolarHBondContact ND2-NH2 2.89Å; N39-R59 VanDerWaalsContact ND2-NH2 3.15Å; N39-R59 CarbonylContact O-C 3.59Å; N39-R59 WeakPolarHBondContact O-CA 3.14Å; N39-L60 VanDerWaalsContact CB-O 3.27Å; N39-L60 WeakPolarHBondContact CB-O 3.38Å; N39-L60 PolarHBondContact O-N 3.17Å
40C92.3Very high76.4Confident21 Ų2190.4 Ų90.414%0.14246%0.46CS..EExtended strand (participates in β ladder)trans-77.1141174.1-520000112.1S38 M58 C103 D105S38-C40 PolarHBondContact O-N 2.78Å; S38-C40 WeakPolarHBondContact OG-CB 3.38Å; S38-C40 PolarHBondContact OG-N 3.3Å; S38-C40 VanDerWaalsContact OG-N 3.11Å; C40-M58 CarbonylContact C-O 3.35Å; C40-M58 WeakPolarHBondContact CA-O 3.31Å; C40-C103 WeakPolarHBondContact CA-SG 3.41Å; C40-C103 HydrophobicContact CB-CB 3.7Å; C40-C103 WeakPolarHBondContact CB-SG 3.13Å; C40-C103 WeakPolarHBondContact SG-CB 3.43Å; C40-C103 CovalentContact SG-SG 2.02Å; C40-C103 PolarHBondContact SG-SG 2.89Å; C40-D105 PolarHBondContact SG-OD1 3.14Å
41K94.1Very high78.5Confident69 Ų6985.6 Ų85.630%0.344%0.437SS..EExtended strand (participates in β ladder)trans-136.7140.9173.9-59.2-70161.4-102.50108.7S38 N57 M58 L60 M69S38-K41 PolarHBondContact O-NZ 3.48Å; K41-N57 CarbonylContact O-C 3.49Å; K41-N57 WeakPolarHBondContact O-CA 3.47Å; K41-M58 PolarHBondContact N-O 3.37Å; K41-M58 WeakPolarHBondContact O-CG 3.42Å; K41-M58 PolarHBondContact O-N 2.76Å; K41-L60 HydrophobicContact CG-CD1 3.97Å; K41-L60 HydrophobicContact CG-CG 4.28Å; K41-M69 HydrophobicContact CB-SD 4.11Å
42P95.6Very high80.4Confident88 Ų8884 Ų8457%0.57144%0.439SS*.EExtended strand (participates in β ladder)trans-64.7141.417328.4-34.3000110P44 N57P42-P44 VanDerWaalsContact O-CD 3.27Å; P42-P44 WeakPolarHBondContact O-CD 3.29Å; P42-N57 WeakPolarHBondContact CA-OD1 3.28Å
43I97.3Very high82.7Confident16 Ų1678.2 Ų78.28%0.08241%0.408CS..  trans-73.3112.1173.3-63.4173.7000108L47 I53 Y55 Q56 M58 A100I43-L47 HydrophobicContact CG2-CD2 4.26Å; I43-I53 HydrophobicContact CD1-CD1 3.88Å; I43-I53 HydrophobicContact CD1-CG1 4.11Å; I43-Y55 HydrophobicContact CD1-CD2 3.79Å; I43-Y55 HydrophobicContact CD1-CE2 3.7Å; I43-Q56 PolarHBondContact N-O 2.75Å; I43-M58 HydrophobicContact CD1-CB 4.29Å; I43-M58 HydrophobicContact CG1-CB 3.88Å; I43-M58 HydrophobicContact CG1-CG 3.8Å; I43-M58 HydrophobicContact CG1-SD 4.14Å; I43-A100 HydrophobicContact CD1-CB 4.44Å
44P95.3Very high84.8Confident36 Ų3679.7 Ų79.723%0.23442%0.417CS..  trans-78.2153.1-173.835.8-38.2000110.9P42 N46 L47 M69 L73P42-P44 VanDerWaalsContact O-CD 3.27Å; P42-P44 WeakPolarHBondContact O-CD 3.29Å; P44-N46 WeakPolarHBondContact CB-OD1 3.33Å; P44-N46 WeakPolarHBondContact CG-OD1 3.36Å; P44-N46 PolarHBondContact O-N 2.88Å; P44-N46 VanDerWaalsContact O-N 3.1Å; P44-L47 HydrophobicContact CG-CB 3.98Å; P44-L47 PolarHBondContact O-N 3.19Å; P44-M69 VanDerWaalsContact CD-CE 3.49Å; P44-M69 HydrophobicContact CG-CE 3.75Å; P44-L73 HydrophobicContact CG-CD2 4.36Å
45A91.6Very high86.8Confident64 Ų6478 Ų7853%0.52940%0.396SS..THydrogen-bonded Turntrans-61.9-20.3-179.300000114.2Q48A45-Q48 PolarHBondContact O-NE2 2.78Å
46N89.1Confident88.8Confident97 Ų9775.3 Ų75.352%0.51939%0.392SS..THydrogen-bonded Turntrans-84.1-11.3176.966.5-20.7000113.5P44 Q48 L73P44-N46 WeakPolarHBondContact CB-OD1 3.33Å; P44-N46 WeakPolarHBondContact CG-OD1 3.36Å; P44-N46 PolarHBondContact O-N 2.88Å; P44-N46 VanDerWaalsContact O-N 3.1Å; N46-Q48 PolarHBondContact O-N 3.1Å; N46-Q48 PolarHBondContact O-NE2 2.67Å; N46-L73 HydrophobicContact CB-CD2 4.5Å; N46-L73 WeakPolarHBondContact ND2-CD1 3.3Å; N46-L73 WeakPolarHBondContact OD1-CD2 3.48Å
47L94.2Very high90.6Very high3 Ų371.4 Ų71.42%0.01638%0.378CS..  trans-77.672.1171.6-173.959.8000110I43 P44 L49 C50 H51 M58 V72 L73 A76 A100I43-L47 HydrophobicContact CG2-CD2 4.26Å; P44-L47 HydrophobicContact CG-CB 3.98Å; P44-L47 PolarHBondContact O-N 3.19Å; L47-L49 PolarHBondContact O-N 3.07Å; L47-C50 HydrophobicContact CD2-CB 4.17Å; L47-C50 HydrophobicContact CG-CB 4.34Å; L47-C50 PolarHBondContact O-N 3.12Å; L47-H51 WeakPolarHBondContact O-CB 3.42Å; L47-H51 PolarHBondContact O-N 2.96Å; L47-M58 HydrophobicContact CD2-SD 4.1Å; L47-V72 HydrophobicContact CD1-CG1 3.88Å; L47-V72 HydrophobicContact CD2-CG1 3.96Å; L47-L73 HydrophobicContact CB-CD2 3.75Å; L47-L73 HydrophobicContact CD1-CD2 3.91Å; L47-L73 HydrophobicContact CG-CD2 4.43Å; L47-A76 HydrophobicContact CD1-CB 3.58Å; L47-A100 HydrophobicContact CD2-CB 4.4Å
48Q91.1Very high92.1Very high65 Ų6560.8 Ų60.830%0.30434%0.338SS..THydrogen-bonded Turntrans-53.8-32.9-171.2-61.5-51.9-64.600113.6A45 N46 C50 I80 L243A45-Q48 PolarHBondContact O-NE2 2.78Å; N46-Q48 PolarHBondContact O-N 3.1Å; N46-Q48 PolarHBondContact O-NE2 2.67Å; Q48-C50 VanDerWaalsContact C-N 3.32Å; Q48-C50 PolarHBondContact O-N 3.4Å; Q48-I80 HydrophobicContact CB-CD1 3.73Å; Q48-I80 HydrophobicContact CG-CD1 4.45Å; Q48-L243 HydrophobicContact CB-CD1 4.47Å; Q48-L243 HydrophobicContact CG-CD1 4.2Å
49L94.9Very high93Very high6 Ų659.1 Ų59.13%0.03132%0.323CS..THydrogen-bonded Turntrans-59.6-41179.1-175.365.3000112.4L47 A76 W79 V83 K92 L95 C96 F99L47-L49 PolarHBondContact O-N 3.07Å; L49-A76 HydrophobicContact CB-CB 4.16Å; L49-A76 HydrophobicContact CD2-CB 3.8Å; L49-W79 HydrophobicContact CD1-CB 4.33Å; L49-W79 HydrophobicContact CD2-CB 4.26Å; L49-V83 HydrophobicContact CD1-CG2 3.71Å; L49-K92 WeakPolarHBondContact O-CE 3.21Å; L49-L95 HydrophobicContact CD1-CD1 4.31Å; L49-L95 HydrophobicContact CD2-CB 4.29Å; L49-C96 PolarHBondContact O-SG 2.86Å; L49-C96 VanDerWaalsContact O-SG 3.33Å; L49-F99 HydrophobicContact CD2-CB 4.35Å; L49-F99 HydrophobicContact CD2-CD2 3.75Å; L49-F99 HydrophobicContact CD2-CE2 4.27Å; L49-F99 HydrophobicContact CD2-CG 4.06Å
50C96.8Very high93.4Very high0 Ų056.5 Ų56.50%031%0.309CS..THydrogen-bonded Turntrans-127.22.8-167.2-59.50000114.6L47 Q48 I53 C96 A100L47-C50 HydrophobicContact CD2-CB 4.17Å; L47-C50 HydrophobicContact CG-CB 4.34Å; L47-C50 PolarHBondContact O-N 3.12Å; Q48-C50 VanDerWaalsContact C-N 3.32Å; Q48-C50 PolarHBondContact O-N 3.4Å; C50-I53 HydrophobicContact CB-CD1 4.12Å; C50-I53 WeakPolarHBondContact O-CD1 3.41Å; C50-I53 VanDerWaalsContact O-CG1 3.28Å; C50-I53 WeakPolarHBondContact O-CG1 3.35Å; C50-I53 WeakPolarHBondContact O-CG2 3.5Å; C50-C96 WeakPolarHBondContact CA-SG 3.18Å; C50-C96 HydrophobicContact CB-CB 3.97Å; C50-C96 WeakPolarHBondContact CB-SG 3.5Å; C50-C96 WeakPolarHBondContact SG-CA 3.46Å; C50-C96 WeakPolarHBondContact SG-CB 3.45Å; C50-C96 CovalentContact SG-SG 2.05Å; C50-C96 PolarHBondContact SG-SG 2.06Å; C50-A100 HydrophobicContact CB-CB 3.87Å
51H92.1Very high93.5Very high79 Ų7958.8 Ų58.837%0.36632%0.323SS..THydrogen-bonded Turntrans-66.7140.5171.4-175.965000111.2L47L47-H51 WeakPolarHBondContact O-CB 3.42Å; L47-H51 PolarHBondContact O-N 2.96Å
52G87.7Confident93.6Very high67 Ų6755.9 Ų55.969%0.69131%0.311SS*.THydrogen-bonded Turntrans74.122.2178.100000114.9
53I93Very high93.6Very high39 Ų3953.6 Ų53.620%0.229%0.294CS..SBendtrans-80177.1167.865.4-174.4000110.7I43 C50 Y55 C96I43-I53 HydrophobicContact CD1-CD1 3.88Å; I43-I53 HydrophobicContact CD1-CG1 4.11Å; C50-I53 HydrophobicContact CB-CD1 4.12Å; C50-I53 WeakPolarHBondContact O-CD1 3.41Å; C50-I53 VanDerWaalsContact O-CG1 3.28Å; C50-I53 WeakPolarHBondContact O-CG1 3.35Å; C50-I53 WeakPolarHBondContact O-CG2 3.5Å; I53-Y55 HydrophobicContact CD1-CD1 4.28Å; I53-Y55 HydrophobicContact CD1-CD2 4.24Å; I53-Y55 HydrophobicContact CD1-CE1 3.62Å; I53-Y55 HydrophobicContact CD1-CE2 3.6Å; I53-Y55 WeakPolarHBondContact CD1-OH 3.4Å; I53-Y55 HydrophobicContact CG1-CD1 4.28Å; I53-Y55 HydrophobicContact CG1-CD2 4.45Å; I53-Y55 HydrophobicContact CG1-CE1 4.08Å; I53-Y55 HydrophobicContact CG1-CE2 4.29Å; I53-Y55 HydrophobicContact CG1-CG 4.46Å; I53-Y55 PolarHBondContact O-N 2.64Å; I53-C96 HydrophobicContact CD1-CB 4.2Å
54E90.8Very high93.6Very high204 Ų20454.4 Ų54.495%0.95330%0.298SS*.SBendtrans-61.2-14.5-170.9-63.4172.5178.900115
55Y92.8Very high93.6Very high59 Ų5955 Ų5523%0.23131%0.311CS..  trans-131.1157.5178.655.7-88.5000111.5I43 I53 N57 A100 V102I43-Y55 HydrophobicContact CD1-CD2 3.79Å; I43-Y55 HydrophobicContact CD1-CE2 3.7Å; I53-Y55 HydrophobicContact CD1-CD1 4.28Å; I53-Y55 HydrophobicContact CD1-CD2 4.24Å; I53-Y55 HydrophobicContact CD1-CE1 3.62Å; I53-Y55 HydrophobicContact CD1-CE2 3.6Å; I53-Y55 WeakPolarHBondContact CD1-OH 3.4Å; I53-Y55 HydrophobicContact CG1-CD1 4.28Å; I53-Y55 HydrophobicContact CG1-CD2 4.45Å; I53-Y55 HydrophobicContact CG1-CE1 4.08Å; I53-Y55 HydrophobicContact CG1-CE2 4.29Å; I53-Y55 HydrophobicContact CG1-CG 4.46Å; I53-Y55 PolarHBondContact O-N 2.64Å; Y55-N57 VanDerWaalsContact CD2-O 3.31Å; Y55-N57 WeakPolarHBondContact CD2-O 3.32Å; Y55-A100 WeakPolarHBondContact CE2-O 3.45Å; Y55-A100 VanDerWaalsContact CZ-O 3.24Å; Y55-A100 PolarHBondContact OH-O 2.73Å; Y55-V102 HydrophobicContact CD1-CB 4.38Å; Y55-V102 HydrophobicContact CD1-CG2 4.4Å; Y55-V102 HydrophobicContact CD2-CB 4.34Å; Y55-V102 HydrophobicContact CD2-CG2 4.34Å; Y55-V102 HydrophobicContact CE1-CB 4.34Å; Y55-V102 HydrophobicContact CE2-CB 4.27Å; Y55-V102 HydrophobicContact CG-CB 4.38Å; Y55-V102 HydrophobicContact CG-CG2 4.14Å
56Q94.3Very high93.9Very high160 Ų16052.5 Ų52.575%0.74829%0.288SS*.SBendtrans-105.4-18.6-172.9-61.2-176.13.400113.9I43I43-Q56 PolarHBondContact N-O 2.75Å
57N94.8Very high94.2Very high78 Ų7854.7 Ų54.742%0.41730%0.296SS..EExtended strand (participates in β ladder)trans-119.6134-176.7-64.1-58.3000110.7K41 P42 Y55 C103K41-N57 CarbonylContact O-C 3.49Å; K41-N57 WeakPolarHBondContact O-CA 3.47Å; P42-N57 WeakPolarHBondContact CA-OD1 3.28Å; Y55-N57 VanDerWaalsContact CD2-O 3.31Å; Y55-N57 WeakPolarHBondContact CD2-O 3.32Å; N57-C103 HydrophobicContact CB-CB 4.34Å; N57-C103 PolarHBondContact O-N 3.33Å
58M95.3Very high94.3Very high0 Ų057.4 Ų57.40%031%0.312CS..EExtended strand (participates in β ladder)trans-115.7158.1177.261.1173.7-79.700111.6C40 K41 I43 L47 L60 M69 V72 F99 A100 P101C40-M58 CarbonylContact C-O 3.35Å; C40-M58 WeakPolarHBondContact CA-O 3.31Å; K41-M58 PolarHBondContact N-O 3.37Å; K41-M58 WeakPolarHBondContact O-CG 3.42Å; K41-M58 PolarHBondContact O-N 2.76Å; I43-M58 HydrophobicContact CD1-CB 4.29Å; I43-M58 HydrophobicContact CG1-CB 3.88Å; I43-M58 HydrophobicContact CG1-CG 3.8Å; I43-M58 HydrophobicContact CG1-SD 4.14Å; L47-M58 HydrophobicContact CD2-SD 4.1Å; M58-L60 HydrophobicContact CE-CD2 3.77Å; M58-L60 HydrophobicContact CE-CG 4.28Å; M58-M69 HydrophobicContact CE-SD 4.15Å; M58-M69 HydrophobicContact SD-CE 3.98Å; M58-M69 HydrophobicContact SD-SD 4.01Å; M58-V72 HydrophobicContact CE-CG1 4.28Å; M58-V72 HydrophobicContact CE-CG2 4.28Å; M58-F99 VanDerWaalsContact CE-O 3.22Å; M58-F99 WeakPolarHBondContact CE-O 3.38Å; M58-A100 HydrophobicContact CB-CB 3.97Å; M58-A100 HydrophobicContact CE-CB 4.17Å; M58-A100 HydrophobicContact CG-CB 4.46Å; M58-A100 HydrophobicContact SD-CB 3.69Å; M58-P101 CarbonylContact C-O 3.47Å; M58-P101 WeakPolarHBondContact CA-O 3.34Å; M58-P101 WeakPolarHBondContact CB-O 3.3Å
59R94.3Very high94.6Very high25 Ų2556.3 Ų56.39%0.09431%0.308CS..EExtended strand (participates in β ladder)trans-93.8142.3176.5-165.5174.7178.697.4-7.4112.1N39 P101 C103 D108N39-R59 HydrophobicContact CB-CG 3.87Å; N39-R59 PolarHBondContact ND2-NH2 2.89Å; N39-R59 VanDerWaalsContact ND2-NH2 3.15Å; N39-R59 CarbonylContact O-C 3.59Å; N39-R59 WeakPolarHBondContact O-CA 3.14Å; R59-P101 HydrophobicContact CB-CG 4.33Å; R59-P101 PolarHBondContact N-O 2.83Å; R59-C103 HydrophobicContact CB-CB 4.3Å; R59-D108 IonicContact CZ-OD1 2.92Å; R59-D108 IonicContact NH1-OD1 3.84Å; R59-D108 PolarHBondContact NH2-O 3.31Å; R59-D108 IonicContact NH2-OD1 2.89Å; R59-D108 PolarHBondContact NH2-OD1 3.37Å
60L94.4Very high94.6Very high11 Ų1162.7 Ų62.76%0.05834%0.335CS..SBendtrans-121.5143.3163.1-69.1-178.5000110.5N39 K41 M58 N62 H66 E67 M69 V72N39-L60 VanDerWaalsContact CB-O 3.27Å; N39-L60 WeakPolarHBondContact CB-O 3.38Å; N39-L60 PolarHBondContact O-N 3.17Å; K41-L60 HydrophobicContact CG-CD1 3.97Å; K41-L60 HydrophobicContact CG-CG 4.28Å; M58-L60 HydrophobicContact CE-CD2 3.77Å; M58-L60 HydrophobicContact CE-CG 4.28Å; L60-N62 HydrophobicContact CD2-CB 4.31Å; L60-H66 WeakPolarHBondContact CD2-O 3.46Å; L60-E67 WeakPolarHBondContact CD1-O 3.46Å; L60-M69 HydrophobicContact CD1-CG 4.03Å; L60-M69 HydrophobicContact CD1-SD 3.81Å; L60-M69 HydrophobicContact CG-SD 4.43Å; L60-V72 HydrophobicContact CD2-CG2 3.85Å
61P95Very high94.7Very high68 Ų6865.8 Ų65.844%0.44235%0.35SS..SBendcis-65.1149.6-5.728.6-34.6000112H66 E67P61-H66 WeakPolarHBondContact CA-O 3.49Å; P61-H66 WeakPolarHBondContact CB-O 3.26Å; P61-E67 HydrophobicContact CB-CG 4.35Å
62N96.1Very high95Very high9 Ų962 Ų625%0.04833%0.332CS..  trans-85.9178.8178.974.97000111.5L60 L64 G65 H66 L98 F99 P101L60-N62 HydrophobicContact CD2-CB 4.31Å; N62-L64 PolarHBondContact O-N 3.23Å; N62-L64 VanDerWaalsContact O-N 3.1Å; N62-L64 WeakPolarHBondContact OD1-CA 3.36Å; N62-L64 WeakPolarHBondContact OD1-CB 3.14Å; N62-L64 PolarHBondContact OD1-N 3.3Å; N62-G65 PolarHBondContact O-N 3.42Å; N62-G65 PolarHBondContact OD1-N 2.99Å; N62-H66 PolarHBondContact N-O 3.37Å; N62-H66 VanDerWaalsContact N-O 3.16Å; N62-H66 PolarHBondContact ND2-ND1 3.41Å; N62-H66 PolarHBondContact OD1-N 2.68Å; N62-L98 WeakPolarHBondContact CB-O 3.28Å; N62-F99 PolarHBondContact ND2-O 3.1Å; N62-P101 HydrophobicContact CB-CG 4.06Å
63L95.9Very high95.3Very high40 Ų4061.3 Ų61.321%0.20931%0.312CS..THydrogen-bonded Turntrans-68.3-8.9-177.7-69.8175.1000114.2S97 L98 T110 Q112L63-S97 WeakPolarHBondContact CD1-O 3.42Å; L63-L98 HydrophobicContact CB-CD2 4Å; L63-L98 HydrophobicContact CD1-CD2 3.81Å; L63-L98 PolarHBondContact N-O 3.03Å; L63-T110 VanDerWaalsContact CD2-OG1 3.26Å; L63-T110 WeakPolarHBondContact CD2-OG1 3.45Å; L63-Q112 HydrophobicContact CD1-CB 4.42Å; L63-Q112 HydrophobicContact CD1-CG 4.03Å; L63-Q112 HydrophobicContact CD2-CG 3.91Å
64L96.6Very high95.3Very high32 Ų3265.4 Ų65.417%0.16833%0.331CS..THydrogen-bonded Turntrans-97.70.2173.6-57.2178.1000112.3N62 L98 F99 M139N62-L64 PolarHBondContact O-N 3.23Å; N62-L64 VanDerWaalsContact O-N 3.1Å; N62-L64 WeakPolarHBondContact OD1-CA 3.36Å; N62-L64 WeakPolarHBondContact OD1-CB 3.14Å; N62-L64 PolarHBondContact OD1-N 3.3Å; L64-L98 HydrophobicContact CD1-CB 4.36Å; L64-L98 HydrophobicContact CD2-CB 4.25Å; L64-L98 HydrophobicContact CD2-CD1 4.48Å; L64-L98 HydrophobicContact CG-CB 4.14Å; L64-F99 HydrophobicContact CD1-CD1 3.92Å; L64-F99 HydrophobicContact CD1-CD2 3.81Å; L64-F99 HydrophobicContact CD1-CE1 3.66Å; L64-F99 HydrophobicContact CD1-CE2 3.52Å; L64-F99 HydrophobicContact CD1-CG 4Å; L64-F99 HydrophobicContact CD1-CZ 3.44Å; L64-F99 VanDerWaalsContact CD1-CZ 3.44Å; L64-M139 HydrophobicContact CD2-CB 4.44Å; L64-M139 HydrophobicContact CD2-CG 4.32Å; L64-M139 HydrophobicContact CD2-SD 4.04Å
65G95.1Very high95.5Very high50 Ų5059.9 Ų59.952%0.51531%0.305SS..  trans81.412.5179.400000114.6N62 E67N62-G65 PolarHBondContact O-N 3.42Å; N62-G65 PolarHBondContact OD1-N 2.99Å; G65-E67 PolarHBondContact O-N 3.27Å
66H97Very high95.6Very high10 Ų1057.1 Ų57.15%0.04629%0.294CS..  trans-71.5127.1173.7-56.7145.8000109.9L60 P61 N62 E71 V72 Q75 F99L60-H66 WeakPolarHBondContact CD2-O 3.46Å; P61-H66 WeakPolarHBondContact CA-O 3.49Å; P61-H66 WeakPolarHBondContact CB-O 3.26Å; N62-H66 PolarHBondContact N-O 3.37Å; N62-H66 VanDerWaalsContact N-O 3.16Å; N62-H66 PolarHBondContact ND2-ND1 3.41Å; N62-H66 PolarHBondContact OD1-N 2.68Å; H66-E71 WeakPolarHBondContact CA-OE2 3.2Å; H66-E71 HydrophobicContact CB-CB 4.02Å; H66-V72 HydrophobicContact CB-CG2 3.66Å; H66-Q75 PolarHBondContact NE2-NE2 2.88Å; H66-Q75 PolarHBondContact NE2-OE1 2.82Å; H66-Q75 VanDerWaalsContact NE2-OE1 3.08Å; H66-F99 AromaticContact CE1-CE1 3.71Å
67E95.8Very high95.5Very high144 Ų14451.1 Ų51.167%0.67328%0.275SS*.  trans-97-20.5-178.8-63.6-172.4170.800112.1L60 P61 G65 E71L60-E67 WeakPolarHBondContact CD1-O 3.46Å; P61-E67 HydrophobicContact CB-CG 4.35Å; G65-E67 PolarHBondContact O-N 3.27Å; E67-E71 PolarHBondContact N-OE2 2.8Å
68T96.6Very high95.3Very high59 Ų5951.1 Ų51.136%0.36229%0.286SS..SBendtrans-122.6147.2-17573.90000112.3K70 E71 V72T68-K70 PolarHBondContact O-N 2.88Å; T68-K70 VanDerWaalsContact O-N 3.17Å; T68-E71 PolarHBondContact O-N 2.85Å; T68-E71 WeakPolarHBondContact OG1-CG 3.21Å; T68-E71 PolarHBondContact OG1-N 2.85Å; T68-E71 PolarHBondContact OG1-OE1 2.9Å; T68-V72 WeakPolarHBondContact O-CG2 3.35Å; T68-V72 PolarHBondContact O-N 3.09Å
69M96.6Very high95.3Very high43 Ų4352.1 Ų52.121%0.21229%0.29CS..Hα-helixtrans-60-26.8173.9-72.8-54.9-52.300112.7K41 P44 M58 L60 V72 L73K41-M69 HydrophobicContact CB-SD 4.11Å; P44-M69 VanDerWaalsContact CD-CE 3.49Å; P44-M69 HydrophobicContact CG-CE 3.75Å; M58-M69 HydrophobicContact CE-SD 4.15Å; M58-M69 HydrophobicContact SD-CE 3.98Å; M58-M69 HydrophobicContact SD-SD 4.01Å; L60-M69 HydrophobicContact CD1-CG 4.03Å; L60-M69 HydrophobicContact CD1-SD 3.81Å; L60-M69 HydrophobicContact CG-SD 4.43Å; M69-V72 PolarHBondContact O-N 3.31Å; M69-L73 WeakPolarHBondContact O-CB 3.48Å; M69-L73 WeakPolarHBondContact O-CD1 3.28Å; M69-L73 VanDerWaalsContact O-CG 3.23Å; M69-L73 WeakPolarHBondContact O-CG 3.34Å; M69-L73 PolarHBondContact O-N 3.41Å
70K96.7Very high95Very high139 Ų13951.8 Ų51.860%0.60429%0.29SS*.Hα-helixtrans-63.9-49.9177.3-177.4-176.1169.6-1710110.8T68 V72 L73 E74T68-K70 PolarHBondContact O-N 2.88Å; T68-K70 VanDerWaalsContact O-N 3.17Å; K70-V72 VanDerWaalsContact C-N 3.33Å; K70-V72 PolarHBondContact O-N 2.98Å; K70-L73 PolarHBondContact O-N 3Å; K70-E74 WeakPolarHBondContact CE-OE1 3.4Å; K70-E74 IonicContact NZ-OE1 2.99Å; K70-E74 WeakPolarHBondContact O-CG 3.36Å; K70-E74 PolarHBondContact O-N 3.06Å
71E97.8Very high94.7Very high66 Ų6653.5 Ų53.531%0.30830%0.301SS..Hα-helixtrans-59.2-44.2176-73.8150.4-137.100111.7H66 E67 T68 L73 E74 Q75H66-E71 WeakPolarHBondContact CA-OE2 3.2Å; H66-E71 HydrophobicContact CB-CB 4.02Å; E67-E71 PolarHBondContact N-OE2 2.8Å; T68-E71 PolarHBondContact O-N 2.85Å; T68-E71 WeakPolarHBondContact OG1-CG 3.21Å; T68-E71 PolarHBondContact OG1-N 2.85Å; T68-E71 PolarHBondContact OG1-OE1 2.9Å; E71-L73 PolarHBondContact O-N 3.17Å; E71-E74 PolarHBondContact O-N 2.8Å; E71-Q75 WeakPolarHBondContact O-CB 3.08Å; E71-Q75 PolarHBondContact O-N 3.03Å
72V97.8Very high94.4Very high0 Ų051 Ų510%028%0.284CS..Hα-helixtrans-58-48.8177.2177.80000110.9L47 M58 L60 H66 T68 M69 K70 A76 F99L47-V72 HydrophobicContact CD1-CG1 3.88Å; L47-V72 HydrophobicContact CD2-CG1 3.96Å; M58-V72 HydrophobicContact CE-CG1 4.28Å; M58-V72 HydrophobicContact CE-CG2 4.28Å; L60-V72 HydrophobicContact CD2-CG2 3.85Å; H66-V72 HydrophobicContact CB-CG2 3.66Å; T68-V72 WeakPolarHBondContact O-CG2 3.35Å; T68-V72 PolarHBondContact O-N 3.09Å; M69-V72 PolarHBondContact O-N 3.31Å; K70-V72 VanDerWaalsContact C-N 3.33Å; K70-V72 PolarHBondContact O-N 2.98Å; V72-A76 WeakPolarHBondContact O-CB 3.17Å; V72-A76 PolarHBondContact O-N 2.93Å; V72-F99 HydrophobicContact CG1-CD1 4.36Å
73L95Very high94.2Very high52 Ų5252.1 Ų52.127%0.27229%0.291SS..Hα-helixtrans-63.3-42.9-179.7-73.8166.9000112.4P44 N46 L47 M69 K70 E71P44-L73 HydrophobicContact CG-CD2 4.36Å; N46-L73 HydrophobicContact CB-CD2 4.5Å; N46-L73 WeakPolarHBondContact ND2-CD1 3.3Å; N46-L73 WeakPolarHBondContact OD1-CD2 3.48Å; L47-L73 HydrophobicContact CB-CD2 3.75Å; L47-L73 HydrophobicContact CD1-CD2 3.91Å; L47-L73 HydrophobicContact CG-CD2 4.43Å; M69-L73 WeakPolarHBondContact O-CB 3.48Å; M69-L73 WeakPolarHBondContact O-CD1 3.28Å; M69-L73 VanDerWaalsContact O-CG 3.23Å; M69-L73 WeakPolarHBondContact O-CG 3.34Å; M69-L73 PolarHBondContact O-N 3.41Å; K70-L73 PolarHBondContact O-N 3Å; E71-L73 PolarHBondContact O-N 3.17Å
74E92Very high93.6Very high125 Ų12552.3 Ų52.358%0.58429%0.292SS*.Hα-helixtrans-65.4-44.1-179.8-74.2174.4176.300111.6K70 E71K70-E74 WeakPolarHBondContact CE-OE1 3.4Å; K70-E74 IonicContact NZ-OE1 2.99Å; K70-E74 WeakPolarHBondContact O-CG 3.36Å; K70-E74 PolarHBondContact O-N 3.06Å; E71-E74 PolarHBondContact O-N 2.8Å
75Q95.5Very high93.2Very high87 Ų8753.7 Ų53.741%0.40730%0.296SS..Hα-helixtrans-83.4-36.2-176.4-66-161.638.400113.7H66 E71 G77 A78 F99H66-Q75 PolarHBondContact NE2-NE2 2.88Å; H66-Q75 PolarHBondContact NE2-OE1 2.82Å; H66-Q75 VanDerWaalsContact NE2-OE1 3.08Å; E71-Q75 WeakPolarHBondContact O-CB 3.08Å; E71-Q75 PolarHBondContact O-N 3.03Å; Q75-G77 PolarHBondContact O-N 2.52Å; Q75-A78 PolarHBondContact O-N 2.83Å; Q75-F99 HydrophobicContact CB-CE1 3.91Å; Q75-F99 HydrophobicContact CB-CZ 4.41Å
76A95.7Very high92.7Very high1 Ų156.3 Ų56.31%0.00830%0.295CS..Hα-helixtrans-63.4-32-179.600000112.5L47 L49 V72 A78 W79 F99L47-A76 HydrophobicContact CD1-CB 3.58Å; L49-A76 HydrophobicContact CB-CB 4.16Å; L49-A76 HydrophobicContact CD2-CB 3.8Å; V72-A76 WeakPolarHBondContact O-CB 3.17Å; V72-A76 PolarHBondContact O-N 2.93Å; A76-A78 PolarHBondContact O-N 2.84Å; A76-W79 PolarHBondContact O-N 3.16Å; A76-W79 VanDerWaalsContact O-N 3.11Å; A76-F99 HydrophobicContact CB-CD1 3.7Å; A76-F99 HydrophobicContact CB-CE1 3.88Å; A76-F99 HydrophobicContact CB-CG 4.19Å
77G90.9Very high92.4Very high34 Ų3457 Ų5735%0.35130%0.301SS..G310 helixtrans-58.4-33.2179.700000113.7Q75 W79 I80Q75-G77 PolarHBondContact O-N 2.52Å; G77-W79 PolarHBondContact O-N 2.88Å; G77-I80 PolarHBondContact O-N 2.81Å
78A91.4Very high92.4Very high78 Ų7851.3 Ų51.365%0.64527%0.274SS*.G310 helixtrans-67-18.3179.700000113.6Q75 A76 P81Q75-A78 PolarHBondContact O-N 2.83Å; A76-A78 PolarHBondContact O-N 2.84Å; A78-P81 WeakPolarHBondContact O-CD 3.2Å
79W94.5Very high92.3Very high22 Ų2254.1 Ų54.18%0.08329%0.294CS..G310 helixtrans-93.9-13.3-177.4-67.992.2000114.1L49 A76 G77 P81 L82 V83 L95 F99 M129 P137 M139 L140L49-W79 HydrophobicContact CD1-CB 4.33Å; L49-W79 HydrophobicContact CD2-CB 4.26Å; A76-W79 PolarHBondContact O-N 3.16Å; A76-W79 VanDerWaalsContact O-N 3.11Å; G77-W79 PolarHBondContact O-N 2.88Å; W79-P81 VanDerWaalsContact C-CD 3.4Å; W79-L82 HydrophobicContact CE3-CD2 3.86Å; W79-L82 HydrophobicContact CZ3-CD2 3.82Å; W79-L82 PolarHBondContact O-N 3.23Å; W79-L82 VanDerWaalsContact O-N 3.14Å; W79-V83 PolarHBondContact O-N 3.34Å; W79-L95 HydrophobicContact CB-CD1 4.03Å; W79-L95 HydrophobicContact CD2-CD2 3.95Å; W79-L95 HydrophobicContact CE3-CD1 4.13Å; W79-L95 HydrophobicContact CE3-CD2 3.66Å; W79-L95 HydrophobicContact CG-CD2 4.4Å; W79-L95 HydrophobicContact CZ3-CD2 4.15Å; W79-F99 AromaticContact CD1-CE2 3.48Å; W79-F99 VanDerWaalsContact CD1-CE2 3.48Å; W79-F99 AromaticContact CD1-CZ 3.4Å; W79-F99 HydrophobicContact CG-CE2 4.06Å; W79-F99 HydrophobicContact CG-CZ 4.37Å; W79-F99 AromaticContact NE1-CE2 3.68Å; W79-F99 AromaticContact NE1-CZ 3.5Å; W79-M129 HydrophobicContact CH2-CE 4.03Å; W79-M129 HydrophobicContact CH2-SD 4.49Å; W79-M129 HydrophobicContact CZ3-CE 4.03Å; W79-M129 HydrophobicContact CZ3-SD 4.05Å; W79-P137 HydrophobicContact CH2-CG 3.75Å; W79-P137 HydrophobicContact CZ2-CG 4.07Å; W79-M139 HydrophobicContact CZ2-CE 3.6Å; W79-L140 HydrophobicContact CH2-CD1 3.25Å; W79-L140 HydrophobicContact CH2-CG 4.33Å; W79-L140 HydrophobicContact CZ2-CD1 3.9Å; W79-L140 HydrophobicContact CZ3-CD1 3.65Å
80I89.8Confident92.3Very high18 Ų1852.8 Ų52.89%0.09229%0.287CS..Hα-helixtrans-54-44.9177.3-62.6170.7000112.5Q48 G77 L82 V83 M84 Y205 L243Q48-I80 HydrophobicContact CB-CD1 3.73Å; Q48-I80 HydrophobicContact CG-CD1 4.45Å; G77-I80 PolarHBondContact O-N 2.81Å; I80-L82 VanDerWaalsContact C-N 3.26Å; I80-L82 PolarHBondContact O-N 3.09Å; I80-V83 PolarHBondContact O-N 2.75Å; I80-M84 HydrophobicContact CG2-CG 4.3Å; I80-M84 HydrophobicContact CG2-SD 4.04Å; I80-M84 WeakPolarHBondContact O-CG 3.15Å; I80-M84 PolarHBondContact O-N 2.62Å; I80-Y205 HydrophobicContact CG2-CD2 4.45Å; I80-Y205 HydrophobicContact CG2-CG 4.37Å; I80-L243 HydrophobicContact CG2-CD2 4.23Å
81P88.1Confident92.3Very high46 Ų4646.3 Ų46.330%0.29926%0.259SS..Hα-helixtrans-57.2-39178.8-20.129000112.9A78 W79 M84 K85 Y205A78-P81 WeakPolarHBondContact O-CD 3.2Å; W79-P81 VanDerWaalsContact C-CD 3.4Å; P81-M84 PolarHBondContact O-N 3.48Å; P81-K85 WeakPolarHBondContact O-CG 3.36Å; P81-K85 PolarHBondContact O-N 2.94Å; P81-Y205 HydrophobicContact CB-CE2 4.48Å; P81-Y205 HydrophobicContact CG-CE2 3.83Å
82L88.8Confident92.2Very high16 Ų1647 Ų478%0.08426%0.261CS..Hα-helixtrans-67.1-42.9-179.6-17464.4000111.4W79 I80 M84 K85 T91 C125 V128 M129W79-L82 HydrophobicContact CE3-CD2 3.86Å; W79-L82 HydrophobicContact CZ3-CD2 3.82Å; W79-L82 PolarHBondContact O-N 3.23Å; W79-L82 VanDerWaalsContact O-N 3.14Å; I80-L82 VanDerWaalsContact C-N 3.26Å; I80-L82 PolarHBondContact O-N 3.09Å; L82-M84 VanDerWaalsContact C-N 3.29Å; L82-M84 PolarHBondContact O-N 3.48Å; L82-K85 WeakPolarHBondContact O-CB 3.47Å; L82-K85 PolarHBondContact O-N 2.85Å; L82-K85 VanDerWaalsContact O-N 3.14Å; L82-T91 HydrophobicContact CG-CG2 4.42Å; L82-C125 HydrophobicContact CD1-CB 4.14Å; L82-C125 HydrophobicContact CD2-CB 4.35Å; L82-C125 HydrophobicContact CG-CB 4.49Å; L82-V128 HydrophobicContact CD1-CG1 4.3Å; L82-M129 HydrophobicContact CD1-CG 3.69Å; L82-M129 HydrophobicContact CD2-CG 4.07Å; L82-M129 HydrophobicContact CD2-SD 3.79Å; L82-M129 HydrophobicContact CG-CG 4.49Å
83V90Very high92.1Very high32 Ų3250.6 Ų50.619%0.19428%0.277CS..Hα-helixtrans-61-40.5175.2176.50000110.9L49 W79 I80 K85 Q86 T91 K92 L95L49-V83 HydrophobicContact CD1-CG2 3.71Å; W79-V83 PolarHBondContact O-N 3.34Å; I80-V83 PolarHBondContact O-N 2.75Å; V83-K85 PolarHBondContact O-N 2.99Å; V83-Q86 PolarHBondContact O-N 3.3Å; V83-T91 HydrophobicContact CG2-CG2 4.19Å; V83-K92 HydrophobicContact CG1-CB 4.03Å; V83-K92 HydrophobicContact CG1-CG 4.4Å; V83-L95 HydrophobicContact CG2-CD1 3.66Å
84M85.1Confident92.2Very high44 Ų4448.1 Ų48.122%0.21726%0.264CS..Hα-helixtrans-66.7-21.9177.6-69.4-177.672.800113.9I80 P81 L82 Q86 Y205 S242I80-M84 HydrophobicContact CG2-CG 4.3Å; I80-M84 HydrophobicContact CG2-SD 4.04Å; I80-M84 WeakPolarHBondContact O-CG 3.15Å; I80-M84 PolarHBondContact O-N 2.62Å; P81-M84 PolarHBondContact O-N 3.48Å; L82-M84 VanDerWaalsContact C-N 3.29Å; L82-M84 PolarHBondContact O-N 3.48Å; M84-Q86 PolarHBondContact O-N 2.63Å; M84-Y205 HydrophobicContact CE-CE1 3.94Å; M84-Y205 HydrophobicContact SD-CD1 3.99Å; M84-Y205 HydrophobicContact SD-CE1 3.28Å; M84-Y205 WeakPolarHBondContact SD-CE1 3.3Å; M84-S242 VanDerWaalsContact CE-O 3.31Å; M84-S242 WeakPolarHBondContact CE-O 3.03Å
85K86.3Confident92.5Very high62 Ų6242.2 Ų42.227%0.2724%0.237SC..THydrogen-bonded Turntrans-72.8-15.1172.6-64.4-63.3175.3176.70113.1P81 L82 V83 C87 V128 N251P81-K85 WeakPolarHBondContact O-CG 3.36Å; P81-K85 PolarHBondContact O-N 2.94Å; L82-K85 WeakPolarHBondContact O-CB 3.47Å; L82-K85 PolarHBondContact O-N 2.85Å; L82-K85 VanDerWaalsContact O-N 3.14Å; V83-K85 PolarHBondContact O-N 2.99Å; K85-C87 PolarHBondContact O-N 2.92Å; K85-C87 VanDerWaalsContact O-N 3.1Å; K85-V128 HydrophobicContact CB-CG1 4.11Å; K85-V128 HydrophobicContact CG-CG1 3.92Å; K85-N251 PolarHBondContact NZ-OD1 2.93Å
86Q84.9Confident92.7Very high104 Ų10438.2 Ų38.249%0.48622%0.218SC..THydrogen-bonded Turntrans50.737.9176.7-59.5-179.81.300113V83 M84 H88V83-Q86 PolarHBondContact O-N 3.3Å; M84-Q86 PolarHBondContact O-N 2.63Å; Q86-H88 PolarHBondContact O-N 3.25Å
87C91.9Very high92.7Very high26 Ų2638.4 Ų38.418%0.17622%0.219CC..SBendtrans-60.8-29.8178.242.20000112.6K85 R124 C125 V128K85-C87 PolarHBondContact O-N 2.92Å; K85-C87 VanDerWaalsContact O-N 3.1Å; C87-R124 HydrophobicContact CB-CB 4.39Å; C87-R124 WeakPolarHBondContact O-CB 3.37Å; C87-C125 HydrophobicContact CB-CB 4.01Å; C87-C125 WeakPolarHBondContact CB-SG 3.37Å; C87-C125 VanDerWaalsContact SG-CA 3.52Å; C87-C125 WeakPolarHBondContact SG-CB 3.08Å; C87-C125 CovalentContact SG-SG 2.03Å; C87-C125 PolarHBondContact SG-SG 3.01Å; C87-V128 HydrophobicContact CB-CG2 4.03Å
88H96Very high93.1Very high24 Ų2436.9 Ų36.911%0.11120%0.203CC..SBendtrans-146143.4172.8-168.1-89.9000109.9Q86 D90 T91 V121 R124Q86-H88 PolarHBondContact O-N 3.25Å; H88-D90 VanDerWaalsContact C-N 3.28Å; H88-D90 IonicContact CE1-OD2 2.62Å; H88-D90 PolarHBondContact CE1-OD2 3.38Å; H88-D90 WeakPolarHBondContact ND1-CB 3.15Å; H88-D90 PolarHBondContact ND1-N 3.17Å; H88-D90 PolarHBondContact O-N 2.97Å; H88-T91 WeakPolarHBondContact CB-OG1 3.48Å; H88-T91 PolarHBondContact N-OG1 3.36Å; H88-T91 WeakPolarHBondContact O-CB 3.45Å; H88-T91 PolarHBondContact O-N 3.18Å; H88-T91 PolarHBondContact O-OG1 2.66Å; H88-V121 HydrophobicContact CB-CG2 4.38Å; H88-R124 HydrophobicContact CB-CB 4.2Å; H88-R124 HydrophobicContact CB-CG 4.47Å
89P93.2Very high93.4Very high118 Ų11833.1 Ų33.177%0.76617%0.172SC*.THydrogen-bonded Turntrans-60.4-3717922.4-34.1000112.8T91P89-T91 VanDerWaalsContact C-N 3.31Å; P89-T91 PolarHBondContact O-N 3.3Å
90D96.3Very high93.5Very high15 Ų1532.1 Ų32.18%0.0817%0.168CC..THydrogen-bonded Turntrans-82.64.9179.5-67-52.6000114.8H88 K92 K93 F94 L117 V121 A156H88-D90 VanDerWaalsContact C-N 3.28Å; H88-D90 IonicContact CE1-OD2 2.62Å; H88-D90 PolarHBondContact CE1-OD2 3.38Å; H88-D90 WeakPolarHBondContact ND1-CB 3.15Å; H88-D90 PolarHBondContact ND1-N 3.17Å; H88-D90 PolarHBondContact O-N 2.97Å; D90-K92 VanDerWaalsContact C-N 3.3Å; D90-K92 PolarHBondContact O-N 3.36Å; D90-K93 HydrophobicContact CB-CB 4.35Å; D90-K93 WeakPolarHBondContact O-CB 3.41Å; D90-K93 PolarHBondContact O-N 3.27Å; D90-K93 VanDerWaalsContact O-N 3.11Å; D90-K93 WeakPolarHBondContact OD1-CD 3.45Å; D90-F94 WeakPolarHBondContact O-CB 3.2Å; D90-F94 PolarHBondContact O-N 3.43Å; D90-L117 HydrophobicContact CB-CD1 3.53Å; D90-V121 HydrophobicContact CB-CG2 4.28Å; D90-A156 VanDerWaalsContact OD1-CB 3.3Å; D90-A156 WeakPolarHBondContact OD1-CB 3.37Å; D90-A156 PolarHBondContact OD2-N 2.87Å
91T96.6Very high93.8Very high2 Ų231.3 Ų31.31%0.01216%0.164CC..Hα-helixtrans-57.2-43.1-177.7-58.20000112.1L82 V83 H88 P89 L95 V121 C125L82-T91 HydrophobicContact CG-CG2 4.42Å; V83-T91 HydrophobicContact CG2-CG2 4.19Å; H88-T91 WeakPolarHBondContact CB-OG1 3.48Å; H88-T91 PolarHBondContact N-OG1 3.36Å; H88-T91 WeakPolarHBondContact O-CB 3.45Å; H88-T91 PolarHBondContact O-N 3.18Å; H88-T91 PolarHBondContact O-OG1 2.66Å; P89-T91 VanDerWaalsContact C-N 3.31Å; P89-T91 PolarHBondContact O-N 3.3Å; T91-L95 HydrophobicContact CG2-CD1 4.03Å; T91-L95 WeakPolarHBondContact O-CG 3.41Å; T91-L95 PolarHBondContact O-N 3Å; T91-V121 HydrophobicContact CG2-CG1 4.31Å; T91-C125 PolarHBondContact OG1-SG 3.08Å
92K96.1Very high94.1Very high81 Ų8131.1 Ų31.135%0.35216%0.162SC..Hα-helixtrans-65.4-43.4177.2-170.8-178.5-178.4-173.90111.3L49 V83 D90 L95 C96L49-K92 WeakPolarHBondContact O-CE 3.21Å; V83-K92 HydrophobicContact CG1-CB 4.03Å; V83-K92 HydrophobicContact CG1-CG 4.4Å; D90-K92 VanDerWaalsContact C-N 3.3Å; D90-K92 PolarHBondContact O-N 3.36Å; K92-L95 PolarHBondContact O-N 3.2Å; K92-C96 WeakPolarHBondContact O-CB 3.29Å; K92-C96 PolarHBondContact O-N 3.23Å; K92-C96 PolarHBondContact O-SG 3.19Å; K92-C96 VanDerWaalsContact O-SG 3.37Å
93K96.1Very high94.3Very high76 Ų7631.1 Ų31.133%0.3316%0.163SC..Hα-helixtrans-59.1-50.5177.9-176.8-174-171.8-1750111D90 C96 S97 I153 P154D90-K93 HydrophobicContact CB-CB 4.35Å; D90-K93 WeakPolarHBondContact O-CB 3.41Å; D90-K93 PolarHBondContact O-N 3.27Å; D90-K93 VanDerWaalsContact O-N 3.11Å; D90-K93 WeakPolarHBondContact OD1-CD 3.45Å; K93-C96 PolarHBondContact O-N 2.92Å; K93-S97 PolarHBondContact O-N 2.88Å; K93-I153 HydrophobicContact CD-CG2 4.5Å; K93-I153 VanDerWaalsContact CE-CG2 3.5Å; K93-P154 PolarHBondContact NZ-O 3.03Å
94F98Very high94.2Very high0 Ų033.3 Ų33.30%017%0.174CC..Hα-helixtrans-58.1-52.8177.9174-111.1000111.6D90 C96 S97 L98 P113 L117 C118 V121 W136 L140 F145D90-F94 WeakPolarHBondContact O-CB 3.2Å; D90-F94 PolarHBondContact O-N 3.43Å; F94-C96 PolarHBondContact O-N 3.29Å; F94-S97 WeakPolarHBondContact O-CB 3.13Å; F94-S97 PolarHBondContact O-N 2.77Å; F94-S97 PolarHBondContact O-OG 2.85Å; F94-L98 HydrophobicContact CE1-CD1 4.2Å; F94-L98 HydrophobicContact CE2-CD1 4.28Å; F94-L98 HydrophobicContact CZ-CD1 3.94Å; F94-P113 HydrophobicContact CD2-CB 3.85Å; F94-P113 HydrophobicContact CD2-CG 3.99Å; F94-P113 HydrophobicContact CE2-CB 4.07Å; F94-P113 HydrophobicContact CE2-CG 3.78Å; F94-L117 HydrophobicContact CB-CD1 4.42Å; F94-L117 HydrophobicContact CB-CG 4.36Å; F94-L117 HydrophobicContact CD2-CD2 4.49Å; F94-L117 HydrophobicContact CD2-CG 4.22Å; F94-C118 HydrophobicContact CE2-CB 3.74Å; F94-C118 HydrophobicContact CZ-CB 4.13Å; F94-V121 HydrophobicContact CB-CG2 4.02Å; F94-V121 HydrophobicContact CD1-CB 4.37Å; F94-V121 HydrophobicContact CD1-CG1 3.93Å; F94-V121 HydrophobicContact CG-CB 4.49Å; F94-V121 HydrophobicContact CG-CG1 4.43Å; F94-V121 HydrophobicContact CG-CG2 4.4Å; F94-W136 HydrophobicContact CE1-CH2 4.14Å; F94-W136 AromaticContact CE1-CZ2 3.93Å; F94-W136 HydrophobicContact CE1-CZ2 3.93Å; F94-W136 HydrophobicContact CZ-CZ2 4.42Å; F94-L140 HydrophobicContact CE1-CD1 4.33Å; F94-L140 HydrophobicContact CE1-CD2 4.35Å; F94-L140 HydrophobicContact CZ-CD2 4.42Å; F94-F145 HydrophobicContact CE2-CD2 4.37Å; F94-F145 AromaticContact CE2-CE2 3.77Å; F94-F145 HydrophobicContact CE2-CE2 3.77Å; F94-F145 HydrophobicContact CE2-CZ 4.11Å; F94-F145 AromaticContact CZ-CE2 3.8Å; F94-F145 HydrophobicContact CZ-CE2 3.8Å; F94-F145 HydrophobicContact CZ-CZ 4.14Å
95L98.2Very high94Very high1 Ų137.7 Ų37.71%0.00520%0.198CC..Hα-helixtrans-63.7-40-179.2-68.7170.6000112.6L49 W79 V83 T91 K92 S97 L98 F99 L140L49-L95 HydrophobicContact CD1-CD1 4.31Å; L49-L95 HydrophobicContact CD2-CB 4.29Å; W79-L95 HydrophobicContact CB-CD1 4.03Å; W79-L95 HydrophobicContact CD2-CD2 3.95Å; W79-L95 HydrophobicContact CE3-CD1 4.13Å; W79-L95 HydrophobicContact CE3-CD2 3.66Å; W79-L95 HydrophobicContact CG-CD2 4.4Å; W79-L95 HydrophobicContact CZ3-CD2 4.15Å; V83-L95 HydrophobicContact CG2-CD1 3.66Å; T91-L95 HydrophobicContact CG2-CD1 4.03Å; T91-L95 WeakPolarHBondContact O-CG 3.41Å; T91-L95 PolarHBondContact O-N 3Å; K92-L95 PolarHBondContact O-N 3.2Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 3.16Å; L95-L98 PolarHBondContact O-N 3.39Å; L95-L98 VanDerWaalsContact O-N 3.13Å; L95-F99 WeakPolarHBondContact O-CD2 3.16Å; L95-F99 PolarHBondContact O-N 2.9Å; L95-L140 HydrophobicContact CD2-CD1 4.35Å
96C98.1Very high93.7Very high3 Ų342.9 Ų42.92%0.0223%0.228CC..Hα-helixtrans-70.5-28.6178.3-70.40000113.5L49 C50 I53 K92 K93 F94 L98 A100L49-C96 PolarHBondContact O-SG 2.86Å; L49-C96 VanDerWaalsContact O-SG 3.33Å; C50-C96 WeakPolarHBondContact CA-SG 3.18Å; C50-C96 HydrophobicContact CB-CB 3.97Å; C50-C96 WeakPolarHBondContact CB-SG 3.5Å; C50-C96 WeakPolarHBondContact SG-CA 3.46Å; C50-C96 WeakPolarHBondContact SG-CB 3.45Å; C50-C96 CovalentContact SG-SG 2.05Å; C50-C96 PolarHBondContact SG-SG 2.06Å; I53-C96 HydrophobicContact CD1-CB 4.2Å; K92-C96 WeakPolarHBondContact O-CB 3.29Å; K92-C96 PolarHBondContact O-N 3.23Å; K92-C96 PolarHBondContact O-SG 3.19Å; K92-C96 VanDerWaalsContact O-SG 3.37Å; K93-C96 PolarHBondContact O-N 2.92Å; F94-C96 PolarHBondContact O-N 3.29Å; C96-L98 PolarHBondContact O-N 3.04Å; C96-A100 CarbonylContact O-C 3.44Å; C96-A100 WeakPolarHBondContact O-CA 3.29Å; C96-A100 PolarHBondContact O-N 2.93Å
97S97.3Very high93.4Very high4 Ų440.7 Ų40.73%0.02822%0.22CC..Hα-helixtrans-58.7-30.4170.176.80000112.2L63 K93 F94 L95 P101L63-S97 WeakPolarHBondContact CD1-O 3.42Å; K93-S97 PolarHBondContact O-N 2.88Å; F94-S97 WeakPolarHBondContact O-CB 3.13Å; F94-S97 PolarHBondContact O-N 2.77Å; F94-S97 PolarHBondContact O-OG 2.85Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 3.16Å; S97-P101 WeakPolarHBondContact O-CB 3.47Å
98L97.8Very high92.8Very high2 Ų244.4 Ų44.41%0.0124%0.238CC..Hα-helixtrans-89.5-47.6-179.9-56.7176.4000112.8N62 L63 L64 F94 L95 C96 P113 L140 F145N62-L98 WeakPolarHBondContact CB-O 3.28Å; L63-L98 HydrophobicContact CB-CD2 4Å; L63-L98 HydrophobicContact CD1-CD2 3.81Å; L63-L98 PolarHBondContact N-O 3.03Å; L64-L98 HydrophobicContact CD1-CB 4.36Å; L64-L98 HydrophobicContact CD2-CB 4.25Å; L64-L98 HydrophobicContact CD2-CD1 4.48Å; L64-L98 HydrophobicContact CG-CB 4.14Å; F94-L98 HydrophobicContact CE1-CD1 4.2Å; F94-L98 HydrophobicContact CE2-CD1 4.28Å; F94-L98 HydrophobicContact CZ-CD1 3.94Å; L95-L98 PolarHBondContact O-N 3.39Å; L95-L98 VanDerWaalsContact O-N 3.13Å; C96-L98 PolarHBondContact O-N 3.04Å; L98-P113 HydrophobicContact CD2-CG 3.9Å; L98-L140 HydrophobicContact CD1-CD2 3.22Å; L98-F145 HydrophobicContact CD1-CZ 4.16Å; L98-F145 HydrophobicContact CD2-CE1 3.64Å; L98-F145 HydrophobicContact CD2-CZ 3.84Å
99F98Very high92.2Very high0 Ų050.1 Ų50.10%027%0.265CS..Hα-helixtrans-76.8-36.7-175.9-86.8-81000113.2L49 M58 N62 L64 H66 V72 Q75 A76 W79 L95L49-F99 HydrophobicContact CD2-CB 4.35Å; L49-F99 HydrophobicContact CD2-CD2 3.75Å; L49-F99 HydrophobicContact CD2-CE2 4.27Å; L49-F99 HydrophobicContact CD2-CG 4.06Å; M58-F99 VanDerWaalsContact CE-O 3.22Å; M58-F99 WeakPolarHBondContact CE-O 3.38Å; N62-F99 PolarHBondContact ND2-O 3.1Å; L64-F99 HydrophobicContact CD1-CD1 3.92Å; L64-F99 HydrophobicContact CD1-CD2 3.81Å; L64-F99 HydrophobicContact CD1-CE1 3.66Å; L64-F99 HydrophobicContact CD1-CE2 3.52Å; L64-F99 HydrophobicContact CD1-CG 4Å; L64-F99 HydrophobicContact CD1-CZ 3.44Å; L64-F99 VanDerWaalsContact CD1-CZ 3.44Å; H66-F99 AromaticContact CE1-CE1 3.71Å; V72-F99 HydrophobicContact CG1-CD1 4.36Å; Q75-F99 HydrophobicContact CB-CE1 3.91Å; Q75-F99 HydrophobicContact CB-CZ 4.41Å; A76-F99 HydrophobicContact CB-CD1 3.7Å; A76-F99 HydrophobicContact CB-CE1 3.88Å; A76-F99 HydrophobicContact CB-CG 4.19Å; W79-F99 AromaticContact CD1-CE2 3.48Å; W79-F99 VanDerWaalsContact CD1-CE2 3.48Å; W79-F99 AromaticContact CD1-CZ 3.4Å; W79-F99 HydrophobicContact CG-CE2 4.06Å; W79-F99 HydrophobicContact CG-CZ 4.37Å; W79-F99 AromaticContact NE1-CE2 3.68Å; W79-F99 AromaticContact NE1-CZ 3.5Å; L95-F99 WeakPolarHBondContact O-CD2 3.16Å; L95-F99 PolarHBondContact O-N 2.9Å
100A97.6Very high92Very high0 Ų046.3 Ų46.30%024%0.239CC..SBendtrans-136.157.2-173.200000110.8I43 L47 C50 Y55 M58 C96I43-A100 HydrophobicContact CD1-CB 4.44Å; L47-A100 HydrophobicContact CD2-CB 4.4Å; C50-A100 HydrophobicContact CB-CB 3.87Å; Y55-A100 WeakPolarHBondContact CE2-O 3.45Å; Y55-A100 VanDerWaalsContact CZ-O 3.24Å; Y55-A100 PolarHBondContact OH-O 2.73Å; M58-A100 HydrophobicContact CB-CB 3.97Å; M58-A100 HydrophobicContact CE-CB 4.17Å; M58-A100 HydrophobicContact CG-CB 4.46Å; M58-A100 HydrophobicContact SD-CB 3.69Å; C96-A100 CarbonylContact O-C 3.44Å; C96-A100 WeakPolarHBondContact O-CA 3.29Å; C96-A100 PolarHBondContact O-N 2.93Å
101P96.3Very high91.9Very high2 Ų247.2 Ų47.21%0.01324%0.244CC..PPolyproline II helixtrans-56.5142.6-177.924.7-34.2000111M58 R59 N62 S97 C103M58-P101 CarbonylContact C-O 3.47Å; M58-P101 WeakPolarHBondContact CA-O 3.34Å; M58-P101 WeakPolarHBondContact CB-O 3.3Å; R59-P101 HydrophobicContact CB-CG 4.33Å; R59-P101 PolarHBondContact N-O 2.83Å; N62-P101 HydrophobicContact CB-CG 4.06Å; S97-P101 WeakPolarHBondContact O-CB 3.47Å; P101-C103 PolarHBondContact O-N 2.84Å
102V94.3Very high91.8Very high42 Ų4250.2 Ų50.226%0.25526%0.258SS..BIsolated β-bridgetrans-54.3136178.363.20000110.6Y55 L104Y55-V102 HydrophobicContact CD1-CB 4.38Å; Y55-V102 HydrophobicContact CD1-CG2 4.4Å; Y55-V102 HydrophobicContact CD2-CB 4.34Å; Y55-V102 HydrophobicContact CD2-CG2 4.34Å; Y55-V102 HydrophobicContact CE1-CB 4.34Å; Y55-V102 HydrophobicContact CE2-CB 4.27Å; Y55-V102 HydrophobicContact CG-CB 4.38Å; Y55-V102 HydrophobicContact CG-CG2 4.14Å; V102-L104 HydrophobicContact CG1-CG 4.4Å; V102-L104 HydrophobicContact CG2-CD2 3.98Å; V102-L104 HydrophobicContact CG2-CG 4.38Å
103C92.5Very high91.9Very high15 Ų1546.4 Ų46.410%0.10124%0.241CC..PPolyproline II helixtrans-96.2116.2172-147.10000110.2C40 N57 R59 P101C40-C103 WeakPolarHBondContact CA-SG 3.41Å; C40-C103 HydrophobicContact CB-CB 3.7Å; C40-C103 WeakPolarHBondContact CB-SG 3.13Å; C40-C103 WeakPolarHBondContact SG-CB 3.43Å; C40-C103 CovalentContact SG-SG 2.02Å; C40-C103 PolarHBondContact SG-SG 2.89Å; N57-C103 HydrophobicContact CB-CB 4.34Å; N57-C103 PolarHBondContact O-N 3.33Å; R59-C103 HydrophobicContact CB-CB 4.3Å; P101-C103 PolarHBondContact O-N 2.84Å
104L87.8Confident92Very high79 Ų7942.9 Ų42.941%0.41423%0.226SC..  trans-108.8119.1172-57.7177.6000107.1V102 D106 L107 I111V102-L104 HydrophobicContact CG1-CG 4.4Å; V102-L104 HydrophobicContact CG2-CD2 3.98Å; V102-L104 HydrophobicContact CG2-CG 4.38Å; L104-D106 PolarHBondContact O-N 3.14Å; L104-L107 HydrophobicContact CB-CB 3.98Å; L104-L107 HydrophobicContact CD1-CB 4.43Å; L104-L107 HydrophobicContact CD1-CD2 4.08Å; L104-L107 PolarHBondContact O-N 3.25Å; L104-L107 VanDerWaalsContact O-N 3.17Å; L104-L107 VanDerWaalsContact O-O 3.12Å; L104-I111 HydrophobicContact CD1-CD1 4.03Å
105D80.4Confident92Very high135 Ų13544.7 Ų44.772%0.72224%0.235SC*.THydrogen-bonded Turntrans-61.7-29.8-172.7-70.5-46.3000112.7C40C40-D105 PolarHBondContact SG-OD1 3.14Å
106D80.2Confident91.9Very high171 Ų17146 Ų4691%0.91424%0.244SC*.THydrogen-bonded Turntrans-91.7-4.5-177.9-58.8-44.9000113.9L104L104-D106 PolarHBondContact O-N 3.14Å
107L78.9Confident91.9Very high59 Ų5945.9 Ų45.931%0.30924%0.243SC..  trans-119.9115.3-178.3-168.667.9000110.8L104 E109 I111L104-L107 HydrophobicContact CB-CB 3.98Å; L104-L107 HydrophobicContact CD1-CB 4.43Å; L104-L107 HydrophobicContact CD1-CD2 4.08Å; L104-L107 PolarHBondContact O-N 3.25Å; L104-L107 VanDerWaalsContact O-N 3.17Å; L104-L107 VanDerWaalsContact O-O 3.12Å; L107-E109 VanDerWaalsContact C-N 3.31Å; L107-E109 HydrophobicContact CD1-CB 4.37Å; L107-E109 WeakPolarHBondContact CD2-O 3.14Å; L107-E109 HydrophobicContact CG-CB 4.25Å; L107-E109 WeakPolarHBondContact CG-O 3.33Å; L107-I111 HydrophobicContact CD2-CG1 4.23Å
108D78.8Confident91.9Very high104 Ų10445.7 Ų45.756%0.55624%0.241SC*.  trans-77.4-20.2177-96.6-27.4000113.1K36 R59K36-D108 IonicContact NZ-OD2 3.71Å; R59-D108 IonicContact CZ-OD1 2.92Å; R59-D108 IonicContact NH1-OD1 3.84Å; R59-D108 PolarHBondContact NH2-O 3.31Å; R59-D108 IonicContact NH2-OD1 2.89Å; R59-D108 PolarHBondContact NH2-OD1 3.37Å
109E83.4Confident92Very high144 Ų14447.7 Ų47.767%0.67325%0.254SS*.SBendtrans-85.3140.4178.9-170.3171.1-16800112.6L107L107-E109 VanDerWaalsContact C-N 3.31Å; L107-E109 HydrophobicContact CD1-CB 4.37Å; L107-E109 WeakPolarHBondContact CD2-O 3.14Å; L107-E109 HydrophobicContact CG-CB 4.25Å; L107-E109 WeakPolarHBondContact CG-O 3.33Å
110T89.6Confident91.9Very high37 Ų3751.9 Ų51.923%0.22727%0.273CS..PPolyproline II helixtrans-89124.1176.446.20000111L63 Q112L63-T110 VanDerWaalsContact CD2-OG1 3.26Å; L63-T110 WeakPolarHBondContact CD2-OG1 3.45Å; T110-Q112 PolarHBondContact O-N 2.93Å
111I93Very high92Very high35 Ų3551.9 Ų51.918%0.17927%0.273CS..PPolyproline II helixtrans-70.2121.3174.2-51.5176.3000109.2L104 L107 I153L104-I111 HydrophobicContact CD1-CD1 4.03Å; L107-I111 HydrophobicContact CD2-CG1 4.23Å; I111-I153 HydrophobicContact CG2-CD1 4.34Å; I111-I153 HydrophobicContact CG2-CG1 3.83Å
112Q95.8Very high92.1Very high65 Ų6554.3 Ų54.330%0.30428%0.284SS..EExtended strand (participates in β ladder)trans-88.4158.1179.2-65-177.7-8800111.6L63 T110 P146 C152 I153L63-Q112 HydrophobicContact CD1-CB 4.42Å; L63-Q112 HydrophobicContact CD1-CG 4.03Å; L63-Q112 HydrophobicContact CD2-CG 3.91Å; T110-Q112 PolarHBondContact O-N 2.93Å; Q112-P146 HydrophobicContact CB-CG 3.98Å; Q112-C152 CarbonylContact O-C 3.49Å; Q112-C152 VanDerWaalsContact O-CA 3.25Å; Q112-C152 WeakPolarHBondContact O-CA 3.25Å; Q112-C152 VanDerWaalsContact O-CB 3.31Å; Q112-C152 WeakPolarHBondContact O-CB 3.45Å; Q112-I153 PolarHBondContact O-N 2.79Å
113P97.3Very high92.2Very high0 Ų057.3 Ų57.30%030%0.298CS..EExtended strand (participates in β ladder)trans-64146166.528.4-33.5000110.9F94 L98 L117 F145F94-P113 HydrophobicContact CD2-CB 3.85Å; F94-P113 HydrophobicContact CD2-CG 3.99Å; F94-P113 HydrophobicContact CE2-CB 4.07Å; F94-P113 HydrophobicContact CE2-CG 3.78Å; L98-P113 HydrophobicContact CD2-CG 3.9Å; P113-L117 HydrophobicContact CB-CD2 3.87Å; P113-L117 HydrophobicContact CB-CG 4.48Å; P113-F145 HydrophobicContact CG-CD1 3.7Å; P113-F145 HydrophobicContact CG-CD2 4.41Å; P113-F145 HydrophobicContact CG-CE1 3.71Å; P113-F145 HydrophobicContact CG-CE2 4.43Å; P113-F145 HydrophobicContact CG-CG 4.08Å; P113-F145 HydrophobicContact CG-CZ 4.1Å; P113-F145 WeakPolarHBondContact O-CB 3.29Å
114C98.1Very high92.3Very high3 Ų364.5 Ų64.52%0.0232%0.323CS..PPolyproline II helixtrans-67.3152.9173.4-59.10000111.1S116 L117 C118 C152 I153C114-S116 VanDerWaalsContact C-N 3.29Å; C114-S116 PolarHBondContact O-N 3.25Å; C114-L117 WeakPolarHBondContact O-CB 3.29Å; C114-L117 PolarHBondContact O-N 3.41Å; C114-L117 VanDerWaalsContact O-N 3.16Å; C114-C118 PolarHBondContact O-N 2.88Å; C114-C152 WeakPolarHBondContact CA-SG 3.36Å; C114-C152 HydrophobicContact CB-CB 3.95Å; C114-C152 WeakPolarHBondContact CB-SG 3.08Å; C114-C152 WeakPolarHBondContact SG-CB 3.39Å; C114-C152 CovalentContact SG-SG 2.03Å; C114-C152 PolarHBondContact SG-SG 3.47Å; C114-I153 PolarHBondContact N-O 2.87Å; C114-I153 PolarHBondContact SG-O 2.9Å
115H97.8Very high92.7Very high38 Ų3860.7 Ų60.718%0.17630%0.304CS..Hα-helixtrans-53.7-45.1175.3-177.9-82.5000111.8L117 C118 V119 C142 D143 P146H115-L117 VanDerWaalsContact C-N 3.35Å; H115-L117 PolarHBondContact O-N 3.18Å; H115-C118 WeakPolarHBondContact O-CB 3.43Å; H115-C118 PolarHBondContact O-N 2.83Å; H115-V119 WeakPolarHBondContact CE1-CG2 3.41Å; H115-V119 WeakPolarHBondContact O-CG2 3.39Å; H115-V119 PolarHBondContact O-N 3.29Å; H115-C142 PolarHBondContact CD2-O 3.21Å; H115-D143 IonicContact NE2-OD1 2.68Å; H115-P146 VanDerWaalsContact CB-O 3.32Å; H115-P146 WeakPolarHBondContact CB-O 3.14Å; H115-P146 PolarHBondContact N-O 3.25Å
116S97Very high93.5Very high28 Ų2855.3 Ų55.320%0.19628%0.278CS..Hα-helixtrans-59.1-41.1177.969.60000113.6C114 V119 Q120 D148C114-S116 VanDerWaalsContact C-N 3.29Å; C114-S116 PolarHBondContact O-N 3.25Å; S116-V119 PolarHBondContact O-N 3.21Å; S116-Q120 WeakPolarHBondContact O-CG 3.45Å; S116-Q120 PolarHBondContact O-N 3.05Å; S116-D148 WeakPolarHBondContact CB-OD1 3.38Å; S116-D148 VanDerWaalsContact CB-OD2 3.25Å; S116-D148 WeakPolarHBondContact CB-OD2 3.41Å; S116-D148 PolarHBondContact N-OD2 3.2Å; S116-D148 VanDerWaalsContact N-OD2 3.14Å; S116-D148 VanDerWaalsContact OG-CG 3.24Å; S116-D148 PolarHBondContact OG-OD1 2.77Å; S116-D148 PolarHBondContact OG-OD2 2.69Å
117L97.7Very high94Very high0 Ų051 Ų510%026%0.259CS..Hα-helixtrans-61.9-45.3177.417060000110.4D90 F94 P113 C114 H115 V121 I153 L155D90-L117 HydrophobicContact CB-CD1 3.53Å; F94-L117 HydrophobicContact CB-CD1 4.42Å; F94-L117 HydrophobicContact CB-CG 4.36Å; F94-L117 HydrophobicContact CD2-CD2 4.49Å; F94-L117 HydrophobicContact CD2-CG 4.22Å; P113-L117 HydrophobicContact CB-CD2 3.87Å; P113-L117 HydrophobicContact CB-CG 4.48Å; C114-L117 WeakPolarHBondContact O-CB 3.29Å; C114-L117 PolarHBondContact O-N 3.41Å; C114-L117 VanDerWaalsContact O-N 3.16Å; H115-L117 VanDerWaalsContact C-N 3.35Å; H115-L117 PolarHBondContact O-N 3.18Å; L117-V121 HydrophobicContact CD1-CG2 4.11Å; L117-V121 WeakPolarHBondContact O-CG2 3.43Å; L117-V121 PolarHBondContact O-N 3.38Å; L117-V121 VanDerWaalsContact O-N 3.17Å; L117-I153 HydrophobicContact CD2-CG2 4.24Å; L117-I153 WeakPolarHBondContact CD2-O 3.27Å; L117-L155 HydrophobicContact CB-CD2 4.43Å; L117-L155 HydrophobicContact CB-CG 4.3Å; L117-L155 HydrophobicContact CD1-CD2 3.86Å; L117-L155 HydrophobicContact CD1-CG 4.45Å
118C98.5Very high94.5Very high0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-59.5-50.8175.1177.40000111.7F94 C114 H115 Q120 V121 K122 L140 C142 F145F94-C118 HydrophobicContact CE2-CB 3.74Å; F94-C118 HydrophobicContact CZ-CB 4.13Å; C114-C118 PolarHBondContact O-N 2.88Å; H115-C118 WeakPolarHBondContact O-CB 3.43Å; H115-C118 PolarHBondContact O-N 2.83Å; C118-Q120 PolarHBondContact O-N 3.48Å; C118-V121 PolarHBondContact O-N 2.81Å; C118-K122 VanDerWaalsContact O-CB 3.28Å; C118-K122 WeakPolarHBondContact O-CB 3.45Å; C118-K122 PolarHBondContact O-N 3.43Å; C118-L140 PolarHBondContact SG-O 3.16Å; C118-L140 VanDerWaalsContact SG-O 3.33Å; C118-C142 HydrophobicContact CB-CB 3.72Å; C118-C142 WeakPolarHBondContact CB-SG 3.31Å; C118-C142 WeakPolarHBondContact SG-CA 3.24Å; C118-C142 WeakPolarHBondContact SG-CB 3.28Å; C118-C142 CovalentContact SG-SG 2.05Å; C118-C142 PolarHBondContact SG-SG 3.31Å; C118-F145 HydrophobicContact CB-CD2 3.53Å; C118-F145 HydrophobicContact CB-CE2 3.91Å; C118-F145 VanDerWaalsContact SG-CE2 3.57Å
119V98.3Very high95.1Very high44 Ų4446.3 Ų46.327%0.26724%0.235SC..Hα-helixtrans-59.5-47.7-176.5170.50000110.9H115 S116 V121 K122 D123 C142H115-V119 WeakPolarHBondContact CE1-CG2 3.41Å; H115-V119 WeakPolarHBondContact O-CG2 3.39Å; H115-V119 PolarHBondContact O-N 3.29Å; S116-V119 PolarHBondContact O-N 3.21Å; V119-V121 VanDerWaalsContact C-N 3.34Å; V119-V121 PolarHBondContact O-N 2.8Å; V119-K122 PolarHBondContact O-N 2.86Å; V119-D123 WeakPolarHBondContact O-CB 3.44Å; V119-D123 VanDerWaalsContact O-CG 3.23Å; V119-D123 PolarHBondContact O-N 3.37Å; V119-C142 HydrophobicContact CG2-CB 3.79Å; V119-C142 PolarHBondContact N-SG 3.23Å; V119-C142 VanDerWaalsContact N-SG 3.35Å
120Q97.7Very high95.4Very high89 Ų8943.3 Ų43.342%0.41623%0.23SC..Hα-helixtrans-62.7-39.2-179.9-70.2-132.194.800113S116 C118 L155S116-Q120 WeakPolarHBondContact O-CG 3.45Å; S116-Q120 PolarHBondContact O-N 3.05Å; C118-Q120 PolarHBondContact O-N 3.48Å; Q120-L155 HydrophobicContact CB-CD2 3.98Å; Q120-L155 HydrophobicContact CG-CD1 4.12Å; Q120-L155 HydrophobicContact CG-CD2 4.13Å; Q120-L155 VanDerWaalsContact NE2-CD2 3.28Å
121V98.1Very high95.1Very high0 Ų045.6 Ų45.60%025%0.252CS..Hα-helixtrans-68.5-46.1174.9174.10000110.5H88 D90 T91 F94 L117 C118 V119 D123 R124 C125 W136H88-V121 HydrophobicContact CB-CG2 4.38Å; D90-V121 HydrophobicContact CB-CG2 4.28Å; T91-V121 HydrophobicContact CG2-CG1 4.31Å; F94-V121 HydrophobicContact CB-CG2 4.02Å; F94-V121 HydrophobicContact CD1-CB 4.37Å; F94-V121 HydrophobicContact CD1-CG1 3.93Å; F94-V121 HydrophobicContact CG-CB 4.49Å; F94-V121 HydrophobicContact CG-CG1 4.43Å; F94-V121 HydrophobicContact CG-CG2 4.4Å; L117-V121 HydrophobicContact CD1-CG2 4.11Å; L117-V121 WeakPolarHBondContact O-CG2 3.43Å; L117-V121 PolarHBondContact O-N 3.38Å; L117-V121 VanDerWaalsContact O-N 3.17Å; C118-V121 PolarHBondContact O-N 2.81Å; V119-V121 VanDerWaalsContact C-N 3.34Å; V119-V121 PolarHBondContact O-N 2.8Å; V121-D123 PolarHBondContact O-N 2.94Å; V121-R124 PolarHBondContact O-N 3.39Å; V121-C125 HydrophobicContact CG1-CB 4.45Å; V121-C125 WeakPolarHBondContact O-CB 3.47Å; V121-C125 PolarHBondContact O-N 3.12Å; V121-C125 PolarHBondContact O-SG 3.26Å; V121-C125 VanDerWaalsContact O-SG 3.39Å; V121-W136 HydrophobicContact CG1-CH2 4.16Å
122K98.3Very high94.7Very high52 Ų5247.8 Ų47.823%0.22626%0.261CS..Hα-helixtrans-58.6-48.2178.9-178.3178.3-177-179.60111.1C118 V119 R124 C125 A126 W136 E141C118-K122 VanDerWaalsContact O-CB 3.28Å; C118-K122 WeakPolarHBondContact O-CB 3.45Å; C118-K122 PolarHBondContact O-N 3.43Å; V119-K122 PolarHBondContact O-N 2.86Å; K122-R124 PolarHBondContact O-N 3.35Å; K122-C125 PolarHBondContact O-N 3.39Å; K122-A126 HydrophobicContact CG-CB 4.1Å; K122-A126 WeakPolarHBondContact O-CB 3.38Å; K122-A126 PolarHBondContact O-N 3.1Å; K122-W136 HydrophobicContact CB-CD2 4.35Å; K122-W136 HydrophobicContact CB-CH2 4.33Å; K122-W136 HydrophobicContact CB-CZ2 3.9Å; K122-W136 HydrophobicContact CD-CD2 4.35Å; K122-W136 HydrophobicContact CD-CG 4.12Å; K122-W136 VanDerWaalsContact CE-CD1 3.47Å; K122-W136 HydrophobicContact CG-CD2 3.81Å; K122-W136 HydrophobicContact CG-CE3 4.38Å; K122-W136 HydrophobicContact CG-CG 3.99Å; K122-W136 HydrophobicContact CG-CZ2 4.25Å; K122-E141 IonicContact NZ-OE1 2.94Å; K122-E141 PolarHBondContact NZ-OE1 3.14Å; K122-E141 IonicContact NZ-OE2 2.61Å; K122-E141 PolarHBondContact NZ-OE2 3.26Å
123D97.8Very high94.2Very high106 Ų10647.8 Ų47.857%0.56728%0.279SS*.Hα-helixtrans-57.9-36.1-177.7-76.8-5.9000112.7V119 V121 P127V119-D123 WeakPolarHBondContact O-CB 3.44Å; V119-D123 VanDerWaalsContact O-CG 3.23Å; V119-D123 PolarHBondContact O-N 3.37Å; V121-D123 PolarHBondContact O-N 2.94Å; D123-P127 WeakPolarHBondContact O-CD 3.19Å
124R94.4Very high93.9Very high165 Ų16554.1 Ų54.162%0.62331%0.306SS*.Hα-helixtrans-88.7-35.6178.6-59.1-57-176.8179.2-1.2113.7C87 H88 V121 K122C87-R124 HydrophobicContact CB-CB 4.39Å; C87-R124 WeakPolarHBondContact O-CB 3.37Å; H88-R124 HydrophobicContact CB-CB 4.2Å; H88-R124 HydrophobicContact CB-CG 4.47Å; V121-R124 PolarHBondContact O-N 3.39Å; K122-R124 PolarHBondContact O-N 3.35Å
125C96.1Very high93.7Very high0 Ų058.8 Ų58.80%034%0.336CS..Hα-helixtrans-97-26.7-170-63.80000114L82 C87 T91 V121 K122 V128 M129 W136L82-C125 HydrophobicContact CD1-CB 4.14Å; L82-C125 HydrophobicContact CD2-CB 4.35Å; L82-C125 HydrophobicContact CG-CB 4.49Å; C87-C125 HydrophobicContact CB-CB 4.01Å; C87-C125 WeakPolarHBondContact CB-SG 3.37Å; C87-C125 VanDerWaalsContact SG-CA 3.52Å; C87-C125 WeakPolarHBondContact SG-CB 3.08Å; C87-C125 CovalentContact SG-SG 2.03Å; C87-C125 PolarHBondContact SG-SG 3.01Å; T91-C125 PolarHBondContact OG1-SG 3.08Å; V121-C125 HydrophobicContact CG1-CB 4.45Å; V121-C125 WeakPolarHBondContact O-CB 3.47Å; V121-C125 PolarHBondContact O-N 3.12Å; V121-C125 PolarHBondContact O-SG 3.26Å; V121-C125 VanDerWaalsContact O-SG 3.39Å; K122-C125 PolarHBondContact O-N 3.39Å; C125-V128 WeakPolarHBondContact O-CB 3.28Å; C125-V128 PolarHBondContact O-N 2.77Å; C125-M129 PolarHBondContact O-N 2.83Å; C125-W136 HydrophobicContact CB-CZ3 4.15Å
126A96.1Very high93.6Very high22 Ų2258 Ų5818%0.18233%0.332CS..Hα-helixtrans-62.6-41.4177.400000113.1K122 V128 M129 S130 W136K122-A126 HydrophobicContact CG-CB 4.1Å; K122-A126 WeakPolarHBondContact O-CB 3.38Å; K122-A126 PolarHBondContact O-N 3.1Å; A126-V128 VanDerWaalsContact C-N 3.27Å; A126-V128 PolarHBondContact O-N 3.28Å; A126-M129 PolarHBondContact O-N 2.05Å; A126-S130 WeakPolarHBondContact O-CB 3.21Å; A126-S130 PolarHBondContact O-N 3.4Å; A126-W136 HydrophobicContact CB-CB 4.15Å; A126-W136 HydrophobicContact CB-CD2 4.34Å; A126-W136 HydrophobicContact CB-CE3 3.93Å; A126-W136 HydrophobicContact CB-CG 4.47Å
127P92.3Very high93.6Very high81 Ų8158.2 Ų58.253%0.52633%0.333SS..Hα-helixtrans-61.2-36.6173.3-23.934.9000112.6D123 S130 A131D123-P127 WeakPolarHBondContact O-CD 3.19Å; P127-S130 PolarHBondContact O-N 3.33Å; P127-A131 PolarHBondContact O-N 3.14Å
128V89.8Confident93.5Very high40 Ų4064.6 Ų64.624%0.24237%0.367CS..Hα-helixtrans-63.6-48.8175.5178.50000110.1L82 K85 C87 C125 A126 S130 A131 F132L82-V128 HydrophobicContact CD1-CG1 4.3Å; K85-V128 HydrophobicContact CB-CG1 4.11Å; K85-V128 HydrophobicContact CG-CG1 3.92Å; C87-V128 HydrophobicContact CB-CG2 4.03Å; C125-V128 WeakPolarHBondContact O-CB 3.28Å; C125-V128 PolarHBondContact O-N 2.77Å; A126-V128 VanDerWaalsContact C-N 3.27Å; A126-V128 PolarHBondContact O-N 3.28Å; V128-S130 VanDerWaalsContact C-N 3.33Å; V128-S130 PolarHBondContact O-N 2.83Å; V128-A131 WeakPolarHBondContact O-CB 3.17Å; V128-A131 PolarHBondContact O-N 3.3Å; V128-F132 HydrophobicContact CG1-CE2 4.24Å; V128-F132 WeakPolarHBondContact O-CD2 3.15Å
129M91.1Very high93.3Very high24 Ų2467.5 Ų67.512%0.11838%0.381CS..Hα-helixtrans-58.7-44.4175.8-68.4-176.866.900112.1W79 L82 C125 A126 A131 F132 G133 F134 P135 W136 P137W79-M129 HydrophobicContact CH2-CE 4.03Å; W79-M129 HydrophobicContact CH2-SD 4.49Å; W79-M129 HydrophobicContact CZ3-CE 4.03Å; W79-M129 HydrophobicContact CZ3-SD 4.05Å; L82-M129 HydrophobicContact CD1-CG 3.69Å; L82-M129 HydrophobicContact CD2-CG 4.07Å; L82-M129 HydrophobicContact CD2-SD 3.79Å; L82-M129 HydrophobicContact CG-CG 4.49Å; C125-M129 PolarHBondContact O-N 2.83Å; A126-M129 PolarHBondContact O-N 2.05Å; M129-A131 VanDerWaalsContact C-N 3.26Å; M129-A131 PolarHBondContact O-N 3.21Å; M129-F132 CarbonylContact O-C 3.57Å; M129-F132 WeakPolarHBondContact O-CA 3.1Å; M129-F132 PolarHBondContact O-N 2.01Å; M129-G133 PolarHBondContact O-N 2.8Å; M129-F134 CarbonylContact C-O 3.48Å; M129-F134 HydrophobicContact CB-CB 4.42Å; M129-F134 WeakPolarHBondContact CB-O 3.3Å; M129-F134 HydrophobicContact CE-CB 4.21Å; M129-F134 PolarHBondContact O-N 3.24Å; M129-F134 VanDerWaalsContact O-N 3.09Å; M129-P135 WeakPolarHBondContact CE-O 3.04Å; M129-W136 HydrophobicContact SD-CE3 3.61Å; M129-W136 HydrophobicContact SD-CZ3 3.85Å; M129-P137 HydrophobicContact CE-CG 4.43Å
130S89.1Confident93.2Very high81 Ų8165.4 Ų65.457%0.56637%0.369SS*.Hα-helixtrans-61.2-35179.5-1740000112.2A126 P127 V128 F132 G133 F134A126-S130 WeakPolarHBondContact O-CB 3.21Å; A126-S130 PolarHBondContact O-N 3.4Å; P127-S130 PolarHBondContact O-N 3.33Å; V128-S130 VanDerWaalsContact C-N 3.33Å; V128-S130 PolarHBondContact O-N 2.83Å; S130-F132 PolarHBondContact O-N 2.03Å; S130-G133 PolarHBondContact O-N 3.42Å; S130-F134 WeakPolarHBondContact CA-O 3.11Å; S130-F134 PolarHBondContact N-O 3.22Å
131A83.2Confident93.2Very high84 Ų8463.8 Ų63.869%0.69436%0.361SS*.Hα-helixtrans-64.1-22.817600000113P127 V128 M129P127-A131 PolarHBondContact O-N 3.14Å; V128-A131 WeakPolarHBondContact O-CB 3.17Å; V128-A131 PolarHBondContact O-N 3.3Å; M129-A131 VanDerWaalsContact C-N 3.26Å; M129-A131 PolarHBondContact O-N 3.21Å
132F84.6Confident93.2Very high82 Ų8264 Ų6436%0.3636%0.362SS..THydrogen-bonded Turntrans-97.47.8172.9-66.5-82.4000113.3V128 M129 S130 F134 N251V128-F132 HydrophobicContact CG1-CE2 4.24Å; V128-F132 WeakPolarHBondContact O-CD2 3.15Å; M129-F132 CarbonylContact O-C 3.57Å; M129-F132 WeakPolarHBondContact O-CA 3.1Å; M129-F132 PolarHBondContact O-N 2.01Å; S130-F132 PolarHBondContact O-N 2.03Å; F132-F134 HydrophobicContact CB-CD2 3.91Å; F132-F134 HydrophobicContact CB-CE2 4.23Å; F132-F134 VanDerWaalsContact O-CD2 3.3Å; F132-F134 WeakPolarHBondContact O-CD2 3.06Å; F132-F134 WeakPolarHBondContact O-CE2 3.28Å; F132-N251 VanDerWaalsContact CE1-O 3.29Å; F132-N251 WeakPolarHBondContact CE1-O 3.3Å; F132-N251 WeakPolarHBondContact CZ-O 3.29Å
133G85.2Confident93.1Very high65 Ų6568.4 Ų68.467%0.6739%0.388SS*.THydrogen-bonded Turntrans81.716.4177.600000114.8M129 S130M129-G133 PolarHBondContact O-N 2.8Å; S130-G133 PolarHBondContact O-N 3.42Å
134F90.8Very high93Very high132 Ų13270 Ų7058%0.57939%0.386SS*.  trans-110.9125.3177.6-61.2-79.2000110.6M129 S130 F132M129-F134 CarbonylContact C-O 3.48Å; M129-F134 HydrophobicContact CB-CB 4.42Å; M129-F134 WeakPolarHBondContact CB-O 3.3Å; M129-F134 HydrophobicContact CE-CB 4.21Å; M129-F134 PolarHBondContact O-N 3.24Å; M129-F134 VanDerWaalsContact O-N 3.09Å; S130-F134 WeakPolarHBondContact CA-O 3.11Å; S130-F134 PolarHBondContact N-O 3.22Å; F132-F134 HydrophobicContact CB-CD2 3.91Å; F132-F134 HydrophobicContact CB-CE2 4.23Å; F132-F134 VanDerWaalsContact O-CD2 3.3Å; F132-F134 WeakPolarHBondContact O-CD2 3.06Å; F132-F134 WeakPolarHBondContact O-CE2 3.28Å
135P94.1Very high93.1Very high101 Ų10162.8 Ų62.866%0.65636%0.36SS*.PPolyproline II helixtrans-73.1162.6172.331.9-34.4000111.1M129 P137M129-P135 WeakPolarHBondContact CE-O 3.04Å; P135-P137 WeakPolarHBondContact O-CD 3.45Å
136W96.2Very high93.1Very high22 Ų2264 Ų648%0.08337%0.367CS..PPolyproline II helixtrans-65.6123.2166.4-168.7-100000108.9F94 V121 K122 C125 A126 M129 L140F94-W136 HydrophobicContact CE1-CH2 4.14Å; F94-W136 AromaticContact CE1-CZ2 3.93Å; F94-W136 HydrophobicContact CE1-CZ2 3.93Å; F94-W136 HydrophobicContact CZ-CZ2 4.42Å; V121-W136 HydrophobicContact CG1-CH2 4.16Å; K122-W136 HydrophobicContact CB-CD2 4.35Å; K122-W136 HydrophobicContact CB-CH2 4.33Å; K122-W136 HydrophobicContact CB-CZ2 3.9Å; K122-W136 HydrophobicContact CD-CD2 4.35Å; K122-W136 HydrophobicContact CD-CG 4.12Å; K122-W136 VanDerWaalsContact CE-CD1 3.47Å; K122-W136 HydrophobicContact CG-CD2 3.81Å; K122-W136 HydrophobicContact CG-CE3 4.38Å; K122-W136 HydrophobicContact CG-CG 3.99Å; K122-W136 HydrophobicContact CG-CZ2 4.25Å; C125-W136 HydrophobicContact CB-CZ3 4.15Å; A126-W136 HydrophobicContact CB-CB 4.15Å; A126-W136 HydrophobicContact CB-CD2 4.34Å; A126-W136 HydrophobicContact CB-CE3 3.93Å; A126-W136 HydrophobicContact CB-CG 4.47Å; M129-W136 HydrophobicContact SD-CE3 3.61Å; M129-W136 HydrophobicContact SD-CZ3 3.85Å; W136-L140 HydrophobicContact CH2-CD1 4.15Å; W136-L140 HydrophobicContact CZ2-CB 3.75Å; W136-L140 HydrophobicContact CZ2-CD1 3.92Å; W136-L140 PolarHBondContact NE1-O 2.85Å
137P96.1Very high93.1Very high33 Ų3367.7 Ų67.721%0.21438%0.381CS..PPolyproline II helixtrans-74146.8-172.8-2235.7000113.5W79 M129 P135 M139 L140W79-P137 HydrophobicContact CH2-CG 3.75Å; W79-P137 HydrophobicContact CZ2-CG 4.07Å; M129-P137 HydrophobicContact CE-CG 4.43Å; P135-P137 WeakPolarHBondContact O-CD 3.45Å; P137-M139 HydrophobicContact CB-CE 4.24Å; P137-M139 HydrophobicContact CB-CG 4.03Å; P137-M139 HydrophobicContact CG-CE 4.44Å; P137-M139 PolarHBondContact O-N 2.77Å; P137-M139 VanDerWaalsContact O-N 3.08Å; P137-L140 WeakPolarHBondContact O-CA 3.43Å; P137-L140 PolarHBondContact O-N 3.21Å
138D95.4Very high92.9Very high134 Ų13467.7 Ų67.772%0.71738%0.376SS*.G310 helixtrans-52.7-34.7176.4-61.3-12.9000112.9L140 E141 R144D138-L140 PolarHBondContact O-N 3.11Å; D138-L140 VanDerWaalsContact O-N 3.16Å; D138-E141 WeakPolarHBondContact O-CB 3.06Å; D138-E141 PolarHBondContact O-N 3.08Å; D138-E141 VanDerWaalsContact O-N 3.11Å; D138-R144 VanDerWaalsContact O-CD 3.29Å; D138-R144 WeakPolarHBondContact O-CD 3.47Å
139M94.3Very high92.8Very high60 Ų6072.1 Ų72.130%0.29640%0.399SS..G310 helixtrans-65.1-18.6178.868.2-177.9174.300113.6L64 W79 P137 R144L64-M139 HydrophobicContact CD2-CB 4.44Å; L64-M139 HydrophobicContact CD2-CG 4.32Å; L64-M139 HydrophobicContact CD2-SD 4.04Å; W79-M139 HydrophobicContact CZ2-CE 3.6Å; P137-M139 HydrophobicContact CB-CE 4.24Å; P137-M139 HydrophobicContact CB-CG 4.03Å; P137-M139 HydrophobicContact CG-CE 4.44Å; P137-M139 PolarHBondContact O-N 2.77Å; P137-M139 VanDerWaalsContact O-N 3.08Å; M139-R144 PolarHBondContact O-NH1 2.93Å
140L96.4Very high92.6Very high1 Ų175.3 Ų75.31%0.00542%0.416CS..G310 helixtrans-107.310.1177.9-56.4-170.7000112.6W79 F94 L95 L98 C118 W136 P137 D138 C142W79-L140 HydrophobicContact CH2-CD1 3.25Å; W79-L140 HydrophobicContact CH2-CG 4.33Å; W79-L140 HydrophobicContact CZ2-CD1 3.9Å; W79-L140 HydrophobicContact CZ3-CD1 3.65Å; F94-L140 HydrophobicContact CE1-CD1 4.33Å; F94-L140 HydrophobicContact CE1-CD2 4.35Å; F94-L140 HydrophobicContact CZ-CD2 4.42Å; L95-L140 HydrophobicContact CD2-CD1 4.35Å; L98-L140 HydrophobicContact CD1-CD2 3.22Å; C118-L140 PolarHBondContact SG-O 3.16Å; C118-L140 VanDerWaalsContact SG-O 3.33Å; W136-L140 HydrophobicContact CH2-CD1 4.15Å; W136-L140 HydrophobicContact CZ2-CB 3.75Å; W136-L140 HydrophobicContact CZ2-CD1 3.92Å; W136-L140 PolarHBondContact NE1-O 2.85Å; P137-L140 WeakPolarHBondContact O-CA 3.43Å; P137-L140 PolarHBondContact O-N 3.21Å; D138-L140 PolarHBondContact O-N 3.11Å; D138-L140 VanDerWaalsContact O-N 3.16Å; L140-C142 PolarHBondContact O-N 3.17Å
141E97.5Very high92.7Very high54 Ų5477.8 Ų77.825%0.25242%0.422SS..  trans-63.4131.2177.8-78.4-62.6153.100111.3K122 D138 D143 R144K122-E141 IonicContact NZ-OE1 2.94Å; K122-E141 PolarHBondContact NZ-OE1 3.14Å; K122-E141 IonicContact NZ-OE2 2.61Å; K122-E141 PolarHBondContact NZ-OE2 3.26Å; D138-E141 WeakPolarHBondContact O-CB 3.06Å; D138-E141 PolarHBondContact O-N 3.08Å; D138-E141 VanDerWaalsContact O-N 3.11Å; E141-D143 VanDerWaalsContact C-N 3.26Å; E141-D143 PolarHBondContact O-N 2.61Å; E141-R144 HydrophobicContact CB-CG 4.38Å; E141-R144 VanDerWaalsContact O-CB 3.29Å; E141-R144 WeakPolarHBondContact O-CB 2.99Å; E141-R144 VanDerWaalsContact O-CG 3.3Å; E141-R144 WeakPolarHBondContact O-CG 3.44Å; E141-R144 PolarHBondContact O-N 3.31Å; E141-R144 VanDerWaalsContact O-N 3.08Å
142C98Very high93.2Very high5 Ų574.5 Ų74.53%0.03440%0.395CS..G310 helixtrans-69.9-26.1-165.5-590000113.3H115 C118 V119 L140 R144 F145H115-C142 PolarHBondContact CD2-O 3.21Å; C118-C142 HydrophobicContact CB-CB 3.72Å; C118-C142 WeakPolarHBondContact CB-SG 3.31Å; C118-C142 WeakPolarHBondContact SG-CA 3.24Å; C118-C142 WeakPolarHBondContact SG-CB 3.28Å; C118-C142 CovalentContact SG-SG 2.05Å; C118-C142 PolarHBondContact SG-SG 3.31Å; V119-C142 HydrophobicContact CG2-CB 3.79Å; V119-C142 PolarHBondContact N-SG 3.23Å; V119-C142 VanDerWaalsContact N-SG 3.35Å; L140-C142 PolarHBondContact O-N 3.17Å; C142-R144 PolarHBondContact O-N 2.92Å; C142-F145 WeakPolarHBondContact O-CB 3.42Å; C142-F145 PolarHBondContact O-N 3.35Å
143D97.1Very high93.7Very high144 Ų14472.5 Ų72.577%0.7739%0.387SS*.G310 helixtrans-60.6-13.7174.1-62-19.4000113.2H115 E141 F145H115-D143 IonicContact NE2-OD1 2.68Å; E141-D143 VanDerWaalsContact C-N 3.26Å; E141-D143 PolarHBondContact O-N 2.61Å; D143-F145 VanDerWaalsContact C-N 3.31Å
144R95.3Very high94.2Very high139 Ų13972.8 Ų72.853%0.52538%0.377SS..G310 helixtrans-81.8-8.8175.7-54.5-177.574.7-145.34.3113.5D138 M139 E141 C142D138-R144 VanDerWaalsContact O-CD 3.29Å; D138-R144 WeakPolarHBondContact O-CD 3.47Å; M139-R144 PolarHBondContact O-NH1 2.93Å; E141-R144 HydrophobicContact CB-CG 4.38Å; E141-R144 VanDerWaalsContact O-CB 3.29Å; E141-R144 WeakPolarHBondContact O-CB 2.99Å; E141-R144 VanDerWaalsContact O-CG 3.3Å; E141-R144 WeakPolarHBondContact O-CG 3.44Å; E141-R144 PolarHBondContact O-N 3.31Å; E141-R144 VanDerWaalsContact O-N 3.08Å; C142-R144 PolarHBondContact O-N 2.92Å
145F96.7Very high94.3Very high15 Ų1568.7 Ų68.77%0.06636%0.361CS..SBendtrans-107.6146.9-173.8-61.8-51.6000112F94 L98 P113 C118 C142 D143F94-F145 HydrophobicContact CE2-CD2 4.37Å; F94-F145 AromaticContact CE2-CE2 3.77Å; F94-F145 HydrophobicContact CE2-CE2 3.77Å; F94-F145 HydrophobicContact CE2-CZ 4.11Å; F94-F145 AromaticContact CZ-CE2 3.8Å; F94-F145 HydrophobicContact CZ-CE2 3.8Å; F94-F145 HydrophobicContact CZ-CZ 4.14Å; L98-F145 HydrophobicContact CD1-CZ 4.16Å; L98-F145 HydrophobicContact CD2-CE1 3.64Å; L98-F145 HydrophobicContact CD2-CZ 3.84Å; P113-F145 HydrophobicContact CG-CD1 3.7Å; P113-F145 HydrophobicContact CG-CD2 4.41Å; P113-F145 HydrophobicContact CG-CE1 3.71Å; P113-F145 HydrophobicContact CG-CE2 4.43Å; P113-F145 HydrophobicContact CG-CG 4.08Å; P113-F145 HydrophobicContact CG-CZ 4.1Å; P113-F145 WeakPolarHBondContact O-CB 3.29Å; C118-F145 HydrophobicContact CB-CD2 3.53Å; C118-F145 HydrophobicContact CB-CE2 3.91Å; C118-F145 VanDerWaalsContact SG-CE2 3.57Å; C142-F145 WeakPolarHBondContact O-CB 3.42Å; C142-F145 PolarHBondContact O-N 3.35Å; D143-F145 VanDerWaalsContact C-N 3.31Å
146P96.3Very high93.9Very high25 Ų2566.8 Ų66.816%0.16235%0.354CS..  trans-63.6153.7-178.928.2-37.4000112Q112 H115 D150 C152Q112-P146 HydrophobicContact CB-CG 3.98Å; H115-P146 VanDerWaalsContact CB-O 3.32Å; H115-P146 WeakPolarHBondContact CB-O 3.14Å; H115-P146 PolarHBondContact N-O 3.25Å; P146-D150 HydrophobicContact CB-CB 4.07Å; P146-C152 HydrophobicContact CG-CB 3.66Å
147Q95.3Very high92.6Very high100 Ų10068.8 Ų68.847%0.46737%0.371SS..  trans-71155.7174.7-65.7-62.2-43.900110.4N149 D150Q147-N149 WeakPolarHBondContact CB-OD1 3.5Å; Q147-N149 PolarHBondContact O-N 3.35Å; Q147-D150 WeakPolarHBondContact O-CB 3.49Å; Q147-D150 PolarHBondContact O-N 3.38Å
148D89.8Confident90.6Very high80 Ų8071.5 Ų71.543%0.42839%0.391SS..THydrogen-bonded Turntrans-61.9-13.4-174-71.8-122.7000115.3S116S116-D148 WeakPolarHBondContact CB-OD1 3.38Å; S116-D148 VanDerWaalsContact CB-OD2 3.25Å; S116-D148 WeakPolarHBondContact CB-OD2 3.41Å; S116-D148 PolarHBondContact N-OD2 3.2Å; S116-D148 VanDerWaalsContact N-OD2 3.14Å; S116-D148 VanDerWaalsContact OG-CG 3.24Å; S116-D148 PolarHBondContact OG-OD1 2.77Å; S116-D148 PolarHBondContact OG-OD2 2.69Å
149N86Confident88.3Confident134 Ų13471.7 Ų71.772%0.71739%0.392SS*.THydrogen-bonded Turntrans-82.1-12.7174.362.8-49000113.6Q147Q147-N149 WeakPolarHBondContact CB-OD1 3.5Å; Q147-N149 PolarHBondContact O-N 3.35Å
150D87.6Confident85.9Confident90 Ų9076.7 Ų76.748%0.48141%0.414SS..SBendtrans-92.2171.6175.6-62.5-38.1000111.3P146 Q147 C152P146-D150 HydrophobicContact CB-CB 4.07Å; Q147-D150 WeakPolarHBondContact O-CB 3.49Å; Q147-D150 PolarHBondContact O-N 3.38Å; D150-C152 PolarHBondContact O-N 3.3Å; D150-C152 PolarHBondContact O-SG 2.74Å
151L90.8Very high83.3Confident133 Ų13382.8 Ų82.870%0.69645%0.446SS*.SBendtrans-69.8102.3174.9179.364.9000110.3
152C95Very high80.4Confident16 Ų1687.3 Ų87.311%0.10847%0.471CS..EExtended strand (participates in β ladder)trans-148.9168.5179.259.80000112.2Q112 C114 P146 D150 P154Q112-C152 CarbonylContact O-C 3.49Å; Q112-C152 VanDerWaalsContact O-CA 3.25Å; Q112-C152 WeakPolarHBondContact O-CA 3.25Å; Q112-C152 VanDerWaalsContact O-CB 3.31Å; Q112-C152 WeakPolarHBondContact O-CB 3.45Å; C114-C152 WeakPolarHBondContact CA-SG 3.36Å; C114-C152 HydrophobicContact CB-CB 3.95Å; C114-C152 WeakPolarHBondContact CB-SG 3.08Å; C114-C152 WeakPolarHBondContact SG-CB 3.39Å; C114-C152 CovalentContact SG-SG 2.03Å; C114-C152 PolarHBondContact SG-SG 3.47Å; P146-C152 HydrophobicContact CG-CB 3.66Å; D150-C152 PolarHBondContact O-N 3.3Å; D150-C152 PolarHBondContact O-SG 2.74Å; C152-P154 VanDerWaalsContact O-CD 3.28Å; C152-P154 WeakPolarHBondContact O-CD 3.42Å
153I94.8Very high77.4Confident40 Ų4092.4 Ų92.421%0.20550%0.504CS..EExtended strand (participates in β ladder)trans-83.5111.8177.7-60.9156.9000108.7K93 I111 Q112 C114 L117K93-I153 HydrophobicContact CD-CG2 4.5Å; K93-I153 VanDerWaalsContact CE-CG2 3.5Å; I111-I153 HydrophobicContact CG2-CD1 4.34Å; I111-I153 HydrophobicContact CG2-CG1 3.83Å; Q112-I153 PolarHBondContact O-N 2.79Å; C114-I153 PolarHBondContact N-O 2.87Å; C114-I153 PolarHBondContact SG-O 2.9Å; L117-I153 HydrophobicContact CD2-CG2 4.24Å; L117-I153 WeakPolarHBondContact CD2-O 3.27Å
154P94.8Very high74.7Confident71 Ų7189 Ų8946%0.46150%0.496SS..  trans-80.4175.8-176.234.7-36.8000111.6K93 C152K93-P154 PolarHBondContact NZ-O 3.03Å; C152-P154 VanDerWaalsContact O-CD 3.28Å; C152-P154 WeakPolarHBondContact O-CD 3.42Å
155L91.9Very high71.9Confident45 Ų4587.4 Ų87.424%0.23650%0.502CS..  trans-53.1149.4162.5-71.8154.5000110.8L117 Q120 S157L117-L155 HydrophobicContact CB-CD2 4.43Å; L117-L155 HydrophobicContact CB-CG 4.3Å; L117-L155 HydrophobicContact CD1-CD2 3.86Å; L117-L155 HydrophobicContact CD1-CG 4.45Å; Q120-L155 HydrophobicContact CB-CD2 3.98Å; Q120-L155 HydrophobicContact CG-CD1 4.12Å; Q120-L155 HydrophobicContact CG-CD2 4.13Å; Q120-L155 VanDerWaalsContact NE2-CD2 3.28Å; L155-S157 PolarHBondContact O-N 3.28Å; L155-S157 VanDerWaalsContact O-N 3.12Å
156A85.9Confident69.4Low61 Ų6196.2 Ų96.250%0.50454%0.543SS..  trans-64.2115.8169.300000108.9D90D90-A156 VanDerWaalsContact OD1-CB 3.3Å; D90-A156 WeakPolarHBondContact OD1-CB 3.37Å; D90-A156 PolarHBondContact OD2-N 2.87Å
157S68.6Low67.2Low64 Ų64100.7 Ų100.745%0.44856%0.562SS.*  trans-66.7137.7172.853.70000109.8L155 D159 H160L155-S157 PolarHBondContact O-N 3.28Å; L155-S157 VanDerWaalsContact O-N 3.12Å; S157-D159 PolarHBondContact O-N 2.86Å; S157-H160 PolarHBondContact O-N 2.81Å
158S55Low65.2Low91 Ų9199.5 Ų99.564%0.63657%0.57SS**G310 helixtrans-54.2-17.9172.248.40000114.2
159D47Very low63.7Low137 Ų13798.7 Ų98.773%0.73357%0.569SS**G310 helixtrans-90.4-8.3-170.4-60.8-10.6000114S157S157-D159 PolarHBondContact O-N 2.86Å
160H43.7Very low63.2Low166 Ų16697.4 Ų97.477%0.76956%0.557SS**G310 helixtrans-115.834.3171.2-69.4-47.4000112.2S157 L162S157-H160 PolarHBondContact O-N 2.81Å; H160-L162 PolarHBondContact O-N 2.97Å
161L42.6Very low62.9Low129 Ų12995.9 Ų95.968%0.67555%0.551SS**  trans-64.384.4148.6-66.1166000107.4
162L36.6Very low62.5Low149 Ų14989.8 Ų89.878%0.7852%0.519SS*.  -43.8136.1129.2-74.1168.7000104.7H160 A164H160-L162 PolarHBondContact O-N 2.97Å; L162-A164 PolarHBondContact O-N 3.45Å
163P35.2Very low62Low112 Ų11296 Ų9673%0.72755%0.546SS*.  trans-60.788.717525-30.7000106.8T165P163-T165 PolarHBondContact O-N 3.39Å
164A39.4Very low61.6Low71 Ų7194.5 Ų94.559%0.58754%0.54SS*.  trans-4899.9137.200000100.4L162 E166L162-A164 PolarHBondContact O-N 3.45Å; A164-E166 VanDerWaalsContact C-N 3.31Å; A164-E166 PolarHBondContact O-N 2.76Å
165T36.8Very low61Low107 Ų10791.4 Ų91.466%0.65652%0.52SS*.  trans-39.1113.3160.942.90000103.9P163 E167P163-T165 PolarHBondContact O-N 3.39Å; T165-E167 PolarHBondContact O-N 3.11Å
166E44.6Very low60.6Low199 Ų19994.9 Ų94.993%0.9353%0.533SS*.  trans-62.567.3164-73.3-157.9163.900106.1A164 A168A164-E166 VanDerWaalsContact C-N 3.31Å; A164-E166 PolarHBondContact O-N 2.76Å; E166-A168 PolarHBondContact O-N 2.97Å
167E48.8Very low59.8Low119 Ų11997.9 Ų97.956%0.55654%0.54SS*.  trans-72.893.5155.2-71.5-159.5138.300102.8T165 K170T165-E167 PolarHBondContact O-N 3.11Å; E167-K170 WeakPolarHBondContact OE1-CE 3.38Å; E167-K170 IonicContact OE1-NZ 2.63Å; E167-K170 PolarHBondContact OE1-NZ 3.17Å; E167-K170 WeakPolarHBondContact OE2-CE 3.46Å; E167-K170 IonicContact OE2-NZ 3.81Å; E167-K170 PolarHBondContact OE2-NZ 3.34Å
168A54.1Low59.7Low76 Ų7699.4 Ų99.463%0.62854%0.539SS*.  trans-35.1137.3162.700000108.6E166 K170E166-A168 PolarHBondContact O-N 2.97Å; A168-K170 PolarHBondContact O-N 3.21Å
169P59.2Low59.7Low63 Ų63101.3 Ų101.341%0.40954%0.542SS..  trans-48113-173.717.2-30.2000109.1V171 T246P169-V171 PolarHBondContact O-N 3.35Å; P169-T246 HydrophobicContact CB-CG2 4.31Å
170K75.4Confident60.3Low106 Ų10699.6 Ų99.646%0.46153%0.533SS..PPolyproline II helixtrans-58.6116.2-174.8-72.8178.8176.3166.90106.3E167 A168 C245 T246E167-K170 WeakPolarHBondContact OE1-CE 3.38Å; E167-K170 IonicContact OE1-NZ 2.63Å; E167-K170 PolarHBondContact OE1-NZ 3.17Å; E167-K170 WeakPolarHBondContact OE2-CE 3.46Å; E167-K170 IonicContact OE2-NZ 3.81Å; E167-K170 PolarHBondContact OE2-NZ 3.34Å; A168-K170 PolarHBondContact O-N 3.21Å; K170-C245 HydrophobicContact CB-CB 4.36Å; K170-C245 CarbonylContact O-C 3.54Å; K170-C245 WeakPolarHBondContact O-CA 3.17Å; K170-C245 WeakPolarHBondContact O-CB 3.25Å; K170-T246 PolarHBondContact O-N 3.23Å
171V80.1Confident61Low59 Ų5997 Ų9736%0.35853%0.525SS..BIsolated β-bridgetrans-74.4132.7174.2179.30000107.5P169 E173 C175 K176 T246P169-V171 PolarHBondContact O-N 3.35Å; V171-E173 PolarHBondContact O-N 3.38Å; V171-C175 HydrophobicContact CG1-CB 4.13Å; V171-K176 HydrophobicContact CB-CG 4.15Å; V171-K176 HydrophobicContact CG1-CG 4.01Å; V171-K176 WeakPolarHBondContact O-CE 3.48Å; V171-T246 WeakPolarHBondContact CA-O 3.32Å
172C82.8Confident61.7Low4 Ų495.1 Ų95.13%0.02752%0.515CS..PPolyproline II helixtrans-55.5137.3178.6-62.50000109.1A174 C175 K176 C245 T246C172-A174 PolarHBondContact O-N 3.16Å; C172-A174 VanDerWaalsContact O-N 3.09Å; C172-C175 HydrophobicContact CB-CB 4.39Å; C172-C175 CarbonylContact O-C 3.09Å; C172-C175 WeakPolarHBondContact O-CA 3.45Å; C172-C175 PolarHBondContact O-N 2.99Å; C172-K176 PolarHBondContact O-N 3.14Å; C172-K176 VanDerWaalsContact O-N 3.12Å; C172-C245 WeakPolarHBondContact CA-SG 3.34Å; C172-C245 HydrophobicContact CB-CB 3.9Å; C172-C245 WeakPolarHBondContact CB-SG 3.03Å; C172-C245 WeakPolarHBondContact SG-CB 3.35Å; C172-C245 PolarHBondContact SG-O 3.34Å; C172-C245 VanDerWaalsContact SG-O 3.4Å; C172-C245 CovalentContact SG-SG 2.04Å; C172-C245 PolarHBondContact SG-SG 2.95Å; C172-T246 PolarHBondContact N-O 3.05Å
173E85Confident63Low147 Ų14794.6 Ų94.669%0.68751%0.513SS*.G310 helixtrans-54.6-36.5-176.7-170.4178.1172.900112V171 C175 K176V171-E173 PolarHBondContact O-N 3.38Å; E173-C175 PolarHBondContact O-N 3.34Å; E173-K176 PolarHBondContact O-N 2.82Å
174A85.3Confident64.6Low8 Ų891.5 Ų91.57%0.06649%0.491CS..G310 helixtrans-64.7-19.7175.300000114.9C172 L239 I270 T271 S272 V273C172-A174 PolarHBondContact O-N 3.16Å; C172-A174 VanDerWaalsContact O-N 3.09Å; A174-L239 HydrophobicContact CB-CD1 3.56Å; A174-I270 HydrophobicContact CB-CG2 4.27Å; A174-T271 VanDerWaalsContact CA-O 3.28Å; A174-T271 WeakPolarHBondContact CA-O 3.31Å; A174-S272 CarbonylContact O-C 3.56Å; A174-S272 VanDerWaalsContact O-CA 3.24Å; A174-S272 WeakPolarHBondContact O-CA 3.5Å; A174-V273 PolarHBondContact O-N 3.44Å
175C83.7Confident65.8Low6 Ų689 Ų894%0.04147%0.467CS..G310 helixtrans-113.12-175.8-49.70000112.7V171 C172 E173 N177 C247V171-C175 HydrophobicContact CG1-CB 4.13Å; C172-C175 HydrophobicContact CB-CB 4.39Å; C172-C175 CarbonylContact O-C 3.09Å; C172-C175 WeakPolarHBondContact O-CA 3.45Å; C172-C175 PolarHBondContact O-N 2.99Å; E173-C175 PolarHBondContact O-N 3.34Å; C175-N177 PolarHBondContact O-N 3.5Å; C175-C247 HydrophobicContact CB-CB 3.76Å; C175-C247 WeakPolarHBondContact CB-SG 3.26Å; C175-C247 WeakPolarHBondContact SG-CB 2.99Å; C175-C247 CovalentContact SG-SG 2.01Å; C175-C247 PolarHBondContact SG-SG 3.4Å
176K83.7Confident67.4Low119 Ų11985.6 Ų85.652%0.51744%0.444SS..SBendtrans-66.4126.8172.1-71179.8-176.4176.20108.7V171 C172 E173 K178V171-K176 HydrophobicContact CB-CG 4.15Å; V171-K176 HydrophobicContact CG1-CG 4.01Å; V171-K176 WeakPolarHBondContact O-CE 3.48Å; C172-K176 PolarHBondContact O-N 3.14Å; C172-K176 VanDerWaalsContact O-N 3.12Å; E173-K176 PolarHBondContact O-N 2.82Å; K176-K178 PolarHBondContact O-N 3.17Å
177N69.2Low68.9Low123 Ų12380.9 Ų80.966%0.65842%0.422SS*.  trans-63.4100.9169.6-72.3-32.3000108.4C175C175-N177 PolarHBondContact O-N 3.5Å
178K64.7Low70.2Confident97 Ų9775.7 Ų75.742%0.42240%0.399SS..  trans-76.8139.2164.6-59.5-175.2-180-179.50107.3K176 D180 D184K176-K178 PolarHBondContact O-N 3.17Å; K178-D180 PolarHBondContact O-N 3.09Å; K178-D184 WeakPolarHBondContact CB-OD2 3.48Å
179N56.9Low71.3Confident131 Ų13172.4 Ų72.470%0.70137%0.371SS*.  trans-50.3133.9-179.3-70.5-26.5000109.7D181N179-D181 PolarHBondContact O-N 3.35Å
180D57.9Low72.4Confident100 Ų10071.9 Ų71.954%0.53537%0.368SS..  trans-70.635.7-175-63.5-27.5000113.4K178 K274K178-D180 PolarHBondContact O-N 3.09Å; D180-K274 IonicContact OD1-NZ 3.55Å; D180-K274 PolarHBondContact OD1-NZ 3.1Å
181D60.1Low73Confident112 Ų11272.6 Ų72.660%0.59937%0.371SS*.  trans-71.7130.5175.7-81.1-26.6000109.8N179 N183 D184 I185N179-D181 PolarHBondContact O-N 3.35Å; D181-N183 PolarHBondContact O-N 2.92Å; D181-D184 PolarHBondContact O-N 3.2Å; D181-I185 PolarHBondContact O-N 2.61Å
182D56.8Low73.4Confident89 Ų8970.1 Ų70.148%0.47636%0.356SS..Hα-helixtrans-57.1-24.2-173.6-72.3-40.7000112.6M186 R285D182-M186 VanDerWaalsContact O-CG 3.29Å; D182-M186 WeakPolarHBondContact O-CG 3.18Å; D182-R285 IonicContact OD1-CZ 3.91Å; D182-R285 IonicContact OD1-NH1 2.96Å; D182-R285 PolarHBondContact OD1-NH1 3.21Å; D182-R285 IonicContact OD2-NH1 3.68Å
183N63.2Low73.8Confident138 Ų13872 Ų7274%0.73837%0.365SS*.Hα-helixtrans-78-36.8175.1-77.4-24000113.4D181 M186 E187D181-N183 PolarHBondContact O-N 2.92Å; N183-M186 PolarHBondContact O-N 3.27Å; N183-E187 WeakPolarHBondContact O-CB 3.41Å; N183-E187 PolarHBondContact O-N 3.48Å
184D68.1Low74.1Confident47 Ų4765 Ų6525%0.25133%0.333SS..Hα-helixtrans-70.7-35.9-174.6-174.553.4000111.8K178 D181 T188K178-D184 WeakPolarHBondContact CB-OD2 3.48Å; D181-D184 PolarHBondContact O-N 3.2Å; D184-T188 WeakPolarHBondContact O-CB 3.12Å; D184-T188 PolarHBondContact O-N 2.98Å; D184-T188 PolarHBondContact O-OG1 3.38Å
185I65.9Low74.4Confident18 Ų1864.6 Ų64.69%0.09233%0.329CS..Hα-helixtrans-67.1-39.1175.2-62164000111.1D181 L189 E282 I286D181-I185 PolarHBondContact O-N 2.61Å; I185-L189 VanDerWaalsContact O-CB 3.28Å; I185-L189 WeakPolarHBondContact O-CB 3.5Å; I185-L189 PolarHBondContact O-N 3.34Å; I185-E282 HydrophobicContact CD1-CG 3.47Å; I185-E282 VanDerWaalsContact CD1-CG 3.47Å; I185-E282 WeakPolarHBondContact CD1-OE1 3.41Å; I185-I286 HydrophobicContact CG2-CD1 3.65Å; I185-I286 HydrophobicContact CG2-CG1 3.61Å
186M70.5Confident74.6Confident37 Ų3764.3 Ų64.318%0.18233%0.328CS..Hα-helixtrans-70.4-42.5178.3-65.1-57.512800111.5D182 N183 L189 C190 S289 L293D182-M186 VanDerWaalsContact O-CG 3.29Å; D182-M186 WeakPolarHBondContact O-CG 3.18Å; N183-M186 PolarHBondContact O-N 3.27Å; M186-L189 PolarHBondContact O-N 2.86Å; M186-C190 PolarHBondContact O-N 2.97Å; M186-S289 VanDerWaalsContact CE-CB 3.42Å; M186-S289 VanDerWaalsContact SD-CB 3.55Å; M186-L293 HydrophobicContact CB-CD2 4.4Å; M186-L293 HydrophobicContact CG-CD1 4.41Å; M186-L293 HydrophobicContact SD-CD1 3.35Å; M186-L293 WeakPolarHBondContact SD-CD1 3.42Å; M186-L293 HydrophobicContact SD-CD2 4.02Å; M186-L293 HydrophobicContact SD-CG 4.34Å
187E74.8Confident74.9Confident99 Ų9961 Ų6146%0.46331%0.313SS..Hα-helixtrans-62.3-44.7174.5-171.9178.217000110.9N183 L189 C190 K191N183-E187 WeakPolarHBondContact O-CB 3.41Å; N183-E187 PolarHBondContact O-N 3.48Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 3.4Å; E187-C190 PolarHBondContact O-N 3.06Å; E187-K191 HydrophobicContact CG-CD 4.18Å; E187-K191 WeakPolarHBondContact O-CB 3.4Å; E187-K191 VanDerWaalsContact O-CG 3.31Å; E187-K191 WeakPolarHBondContact O-CG 3.35Å; E187-K191 PolarHBondContact O-N 3.44Å; E187-K191 WeakPolarHBondContact OE1-CE 3.03Å; E187-K191 IonicContact OE1-NZ 2.8Å; E187-K191 PolarHBondContact OE1-NZ 3.04Å
188T76.3Confident76Confident11 Ų1155.2 Ų55.27%0.06728%0.282CS..Hα-helixtrans-60.5-42.5175.1-64.10000111.3D184 K191 N192 M260D184-T188 WeakPolarHBondContact O-CB 3.12Å; D184-T188 PolarHBondContact O-N 2.98Å; D184-T188 PolarHBondContact O-OG1 3.38Å; T188-K191 PolarHBondContact O-N 3.03Å; T188-N192 PolarHBondContact O-N 2.04Å; T188-N192 PolarHBondContact O-ND2 3.09Å; T188-M260 HydrophobicContact CG2-CE 3.63Å; T188-M260 HydrophobicContact CG2-SD 4.23Å
189L78.7Confident77.1Confident6 Ų654.5 Ų54.53%0.03128%0.279CS..Hα-helixtrans-63.5-42.2175.8179.775.3000111.8I185 M186 E187 N192 A195 K223 M260 I290 L293I185-L189 VanDerWaalsContact O-CB 3.28Å; I185-L189 WeakPolarHBondContact O-CB 3.5Å; I185-L189 PolarHBondContact O-N 3.34Å; M186-L189 PolarHBondContact O-N 2.86Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 3.4Å; L189-N192 PolarHBondContact O-N 2.9Å; L189-A195 HydrophobicContact CD1-CB 3.62Å; L189-K223 HydrophobicContact CD1-CB 4.47Å; L189-K223 HydrophobicContact CD1-CD 4.24Å; L189-K223 HydrophobicContact CG-CD 4.35Å; L189-K223 PolarHBondContact O-NZ 2.88Å; L189-M260 HydrophobicContact CB-SD 4.41Å; L189-M260 HydrophobicContact CD1-SD 4.16Å; L189-I290 HydrophobicContact CD1-CD1 3.75Å; L189-I290 HydrophobicContact CD1-CG1 4.02Å; L189-I290 HydrophobicContact CD2-CD1 4.08Å; L189-I290 HydrophobicContact CD2-CG1 3.4Å; L189-I290 HydrophobicContact CG-CG1 4.35Å; L189-L293 HydrophobicContact CD2-CD2 4.3Å
190C81.3Confident78.7Confident53 Ų5348.9 Ų48.936%0.35825%0.25SC..Hα-helixtrans-68.6-36.2179.2-74.70000113.1M186 E187 N192 K223 C295M186-C190 PolarHBondContact O-N 2.97Å; E187-C190 PolarHBondContact O-N 3.06Å; C190-N192 PolarHBondContact O-N 3.36Å; C190-K223 PolarHBondContact O-NZ 3.02Å; C190-K223 VanDerWaalsContact O-NZ 3.16Å; C190-C295 WeakPolarHBondContact CA-SG 3.47Å; C190-C295 HydrophobicContact CB-CB 3.86Å; C190-C295 WeakPolarHBondContact CB-SG 3.32Å; C190-C295 WeakPolarHBondContact SG-CB 3.29Å; C190-C295 CovalentContact SG-SG 2.06Å; C190-C295 PolarHBondContact SG-SG 3.48Å
191K87.1Confident80Confident121 Ų12151 Ų5153%0.52625%0.254SS..Hα-helixtrans-67.2-18.4175.9-73.8174.5179.3171.20114.6E187 T188 Q262E187-K191 HydrophobicContact CG-CD 4.18Å; E187-K191 WeakPolarHBondContact O-CB 3.4Å; E187-K191 VanDerWaalsContact O-CG 3.31Å; E187-K191 WeakPolarHBondContact O-CG 3.35Å; E187-K191 PolarHBondContact O-N 3.44Å; E187-K191 WeakPolarHBondContact OE1-CE 3.03Å; E187-K191 IonicContact OE1-NZ 2.8Å; E187-K191 PolarHBondContact OE1-NZ 3.04Å; T188-K191 PolarHBondContact O-N 3.03Å; K191-Q262 PolarHBondContact O-NE2 2.98Å
192N89.8Confident81.2Confident7 Ų750.2 Ų50.24%0.03725%0.247CC..  trans-101.3143.9-176.2-79.5-64000112.9T188 L189 C190 K223 M260 G261 T271T188-N192 PolarHBondContact O-N 2.04Å; T188-N192 PolarHBondContact O-ND2 3.09Å; L189-N192 PolarHBondContact O-N 2.9Å; C190-N192 PolarHBondContact O-N 3.36Å; N192-K223 WeakPolarHBondContact O-CE 3.39Å; N192-K223 PolarHBondContact O-NZ 3.01Å; N192-M260 HydrophobicContact CB-CB 4.16Å; N192-G261 WeakPolarHBondContact CB-O 3.08Å; N192-G261 VanDerWaalsContact OD1-C 3.25Å; N192-G261 VanDerWaalsContact OD1-CA 3.25Å; N192-G261 WeakPolarHBondContact OD1-CA 3.01Å; N192-G261 PolarHBondContact OD1-N 2.79Å; N192-G261 PolarHBondContact OD1-O 3.29Å; N192-T271 VanDerWaalsContact CG-OG1 3.29Å; N192-T271 PolarHBondContact ND2-OG1 2.86Å; N192-T271 PolarHBondContact OD1-OG1 2.87Å
193D91.8Very high82.5Confident42 Ų4248 Ų4823%0.22523%0.234CC..SBendtrans-76-33179.7-64.3-29.4000111.6L224 N225 V227 G261 Q262 K263D193-L224 CarbonylContact O-C 3.51Å; D193-L224 WeakPolarHBondContact O-CA 3.28Å; D193-N225 WeakPolarHBondContact CB-O 2.92Å; D193-N225 PolarHBondContact O-N 3.21Å; D193-V227 HydrophobicContact CB-CG2 4.11Å; D193-G261 PolarHBondContact N-O 3.23Å; D193-Q262 VanDerWaalsContact OD2-CA 3.3Å; D193-Q262 WeakPolarHBondContact OD2-CA 3.49Å; D193-K263 PolarHBondContact OD2-N 3.33Å
194F91.2Very high83.3Confident0 Ų043 Ų430%021%0.209CC..EExtended strand (participates in β ladder)trans-134.6150.9178.166.3-92000112.8L196 K223 L224 V227 L237 M260 G261 L268F194-L196 HydrophobicContact CD2-CD1 3.98Å; F194-L196 HydrophobicContact CD2-CG 4Å; F194-L196 HydrophobicContact CE2-CD1 4.39Å; F194-K223 VanDerWaalsContact CA-O 3.29Å; F194-K223 WeakPolarHBondContact CA-O 3.49Å; F194-L224 HydrophobicContact CB-CD2 3.93Å; F194-V227 HydrophobicContact CB-CG2 4.24Å; F194-V227 HydrophobicContact CD1-CG2 4.14Å; F194-L237 HydrophobicContact CE2-CD2 4.2Å; F194-L237 HydrophobicContact CZ-CD2 4.18Å; F194-M260 VanDerWaalsContact O-CA 3.3Å; F194-M260 WeakPolarHBondContact O-CA 3.44Å; F194-G261 VanDerWaalsContact CD1-C 3.48Å; F194-G261 VanDerWaalsContact CD1-O 3.27Å; F194-G261 WeakPolarHBondContact CD1-O 3.42Å; F194-G261 VanDerWaalsContact CZ-CA 3.45Å; F194-G261 PolarHBondContact N-O 3.17Å; F194-G261 PolarHBondContact O-N 2.65Å; F194-G261 VanDerWaalsContact O-N 3.1Å; F194-L268 HydrophobicContact CD1-CD2 4.07Å; F194-L268 HydrophobicContact CE1-CB 3.85Å; F194-L268 HydrophobicContact CE1-CD2 3.97Å; F194-L268 HydrophobicContact CE1-CG 4.44Å; F194-L268 HydrophobicContact CZ-CB 3.99Å
195A90.1Very high83.9Confident0 Ų044.2 Ų44.20%021%0.211CC..EExtended strand (participates in β ladder)trans-136.8124.2167.900000108.9L189 Y222 K223 V259 M260L189-A195 HydrophobicContact CD1-CB 3.62Å; A195-Y222 WeakPolarHBondContact O-CA 3.04Å; A195-Y222 WeakPolarHBondContact O-CB 3.42Å; A195-Y222 PolarHBondContact O-N 2.94Å; A195-K223 HydrophobicContact CB-CB 3.93Å; A195-K223 PolarHBondContact N-O 2.91Å; A195-K223 PolarHBondContact O-N 3.49Å; A195-K223 VanDerWaalsContact O-N 3.16Å; A195-V259 WeakPolarHBondContact CA-O 3.23Å; A195-M260 HydrophobicContact CB-CG 3.88Å
196L89.6Confident84.3Confident0 Ų046 Ų460%022%0.22CC..EExtended strand (participates in β ladder)trans-134.3140.9-174.7-54.8172.7000109.6F194 I198 T220 I221 L224 L232 V259F194-L196 HydrophobicContact CD2-CD1 3.98Å; F194-L196 HydrophobicContact CD2-CG 4Å; F194-L196 HydrophobicContact CE2-CD1 4.39Å; L196-I198 HydrophobicContact CB-CG2 3.74Å; L196-I198 HydrophobicContact CD1-CG2 4.4Å; L196-T220 CarbonylContact C-O 3.58Å; L196-T220 WeakPolarHBondContact CA-O 3.07Å; L196-I221 HydrophobicContact CD2-CB 4.11Å; L196-I221 HydrophobicContact CD2-CG1 3.76Å; L196-I221 HydrophobicContact CD2-CG2 4.12Å; L196-L224 HydrophobicContact CD2-CD2 4.43Å; L196-L232 HydrophobicContact CD1-CD2 3.82Å; L196-L232 HydrophobicContact CD2-CD1 4.5Å; L196-L232 HydrophobicContact CD2-CD2 4.44Å; L196-V259 HydrophobicContact CB-CG2 3.9Å; L196-V259 PolarHBondContact N-O 2.86Å; L196-V259 WeakPolarHBondContact O-CG2 3.41Å; L196-V259 PolarHBondContact O-N 3.08Å
197K89.8Confident84.1Confident49 Ų4951 Ų5121%0.21325%0.248CC..EExtended strand (participates in β ladder)trans-94.6124.9157.2165.4-175.7-177.5-1760108.9K219 T220 Y222 Y257 W276K197-K219 CarbonylContact O-C 3.54Å; K197-K219 VanDerWaalsContact O-CA 3.3Å; K197-K219 WeakPolarHBondContact O-CA 3.31Å; K197-T220 PolarHBondContact N-O 3.45Å; K197-T220 PolarHBondContact O-N 3.36Å; K197-Y222 HydrophobicContact CB-CD2 4.32Å; K197-Y222 HydrophobicContact CB-CE2 3.55Å; K197-Y257 CarbonylContact C-O 3.51Å; K197-Y257 WeakPolarHBondContact CA-O 3.46Å; K197-W276 HydrophobicContact CD-CD2 3.83Å; K197-W276 HydrophobicContact CD-CE3 3.97Å; K197-W276 HydrophobicContact CD-CG 4.3Å; K197-W276 HydrophobicContact CD-CH2 4.36Å; K197-W276 HydrophobicContact CD-CZ2 4.25Å; K197-W276 HydrophobicContact CD-CZ3 4.23Å; K197-W276 HydrophobicContact CG-CD2 4.49Å; K197-W276 HydrophobicContact CG-CE3 4.43Å; K197-W276 VanDerWaalsContact NZ-CE2 3.33Å
198I90.8Very high83.9Confident2 Ų252.7 Ų52.71%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-127.8164.3-172.262.6163.4000111.1L196 V200 L214 K219 L237 P256 Y257 V259L196-I198 HydrophobicContact CB-CG2 3.74Å; L196-I198 HydrophobicContact CD1-CG2 4.4Å; I198-V200 HydrophobicContact CD1-CG2 4.44Å; I198-L214 HydrophobicContact CB-CD2 3.98Å; I198-L214 HydrophobicContact CD1-CD2 3.35Å; I198-L214 HydrophobicContact CG1-CD2 4.25Å; I198-L214 HydrophobicContact CG2-CD1 4.01Å; I198-L214 HydrophobicContact CG2-CD2 4Å; I198-K219 HydrophobicContact CG2-CB 4.46Å; I198-L237 HydrophobicContact CD1-CD1 4.1Å; I198-P256 CarbonylContact O-C 3.54Å; I198-P256 WeakPolarHBondContact O-CA 3.15Å; I198-Y257 PolarHBondContact N-O 3.02Å; I198-Y257 PolarHBondContact O-N 3.22Å; I198-V259 HydrophobicContact CD1-CB 4.38Å; I198-V259 HydrophobicContact CD1-CG1 3.63Å; I198-V259 HydrophobicContact CD1-CG2 3.8Å; I198-V259 HydrophobicContact CG1-CG1 3.98Å; I198-V259 HydrophobicContact CG1-CG2 3.92Å; I198-V259 HydrophobicContact CG2-CG2 3.98Å
199K89.4Confident84.2Confident83 Ų8353.2 Ų53.236%0.36125%0.252SS..EExtended strand (participates in β ladder)trans-117.9143.7155.1-72.7-173.6174.5-173.30108.4E215 P256K199-E215 HydrophobicContact CB-CB 4.13Å; K199-E215 VanDerWaalsContact CD-OE2 3.31Å; K199-E215 WeakPolarHBondContact CD-OE2 3.13Å; K199-E215 PolarHBondContact O-N 3.46Å; K199-P256 HydrophobicContact CG-CB 4.35Å
200V89.2Confident84.5Confident13 Ų1353.2 Ų53.28%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-85.7128.3179.5-179.80000108.2I198 I203 I212 Y257I198-V200 HydrophobicContact CD1-CG2 4.44Å; V200-I203 HydrophobicContact CG1-CD1 4.05Å; V200-I203 HydrophobicContact CG1-CG1 3.5Å; V200-I203 VanDerWaalsContact CG1-CG1 3.5Å; V200-I212 HydrophobicContact CB-CG2 4.44Å; V200-I212 HydrophobicContact CG1-CG2 3.89Å; V200-I212 HydrophobicContact CG2-CG2 3.86Å; V200-Y257 HydrophobicContact CG2-CD2 4.08Å; V200-Y257 HydrophobicContact CG2-CE2 4.32Å
201K86.6Confident84.8Confident145 Ų14553.3 Ų53.363%0.6325%0.246SC*.EExtended strand (participates in β ladder)trans-86.4-45.5170.8-178.8-176.8175.8-170.70110.3I213 E215K201-I213 HydrophobicContact CB-CG2 4.41Å; K201-I213 WeakPolarHBondContact CB-O 3.44Å; K201-I213 HydrophobicContact CD-CG2 4.38Å; K201-I213 PolarHBondContact N-O 3.08Å; K201-E215 HydrophobicContact CB-CB 4.42Å
202E84.6Confident85Confident95 Ų9547.6 Ų47.644%0.44422%0.221SC..EExtended strand (participates in β ladder)trans-156.6144.7-173-171.4-177.5171.800109.8T204 I213E202-T204 HydrophobicContact CG-CG2 4.08Å; E202-T204 WeakPolarHBondContact OE1-CG2 3.48Å; E202-I213 HydrophobicContact CB-CB 4.17Å; E202-I213 HydrophobicContact CB-CD1 4.3Å; E202-I213 PolarHBondContact N-O 3.05Å; E202-I213 PolarHBondContact O-N 3.31Å
203I83.8Confident85Confident41 Ų4149 Ų4921%0.2123%0.229CC..EExtended strand (participates in β ladder)trans-118.7125.7174.1-58.7-176.4000107.1V200 Y205 T210 M250 I253V200-I203 HydrophobicContact CG1-CD1 4.05Å; V200-I203 HydrophobicContact CG1-CG1 3.5Å; V200-I203 VanDerWaalsContact CG1-CG1 3.5Å; I203-Y205 HydrophobicContact CG2-CE2 4.36Å; I203-T210 HydrophobicContact CG2-CG2 3.4Å; I203-T210 VanDerWaalsContact CG2-CG2 3.4Å; I203-M250 HydrophobicContact CD1-CE 4.27Å; I203-I253 HydrophobicContact CD1-CG2 3.85Å; I203-I253 HydrophobicContact CG1-CG2 4.43Å
204T80.9Confident84.9Confident34 Ų3447.2 Ų47.221%0.20922%0.219CC..EExtended strand (participates in β ladder)trans-127.3148.3178.851.80000109.6E202 K211E202-T204 HydrophobicContact CG-CG2 4.08Å; E202-T204 WeakPolarHBondContact OE1-CG2 3.48Å; T204-K211 PolarHBondContact N-O 2.87Å; T204-K211 PolarHBondContact O-N 3.3Å; T204-K211 WeakPolarHBondContact OG1-CB 3.33Å; T204-K211 PolarHBondContact OG1-O 2.83Å
205Y79.3Confident84.8Confident72 Ų7250.8 Ų50.828%0.28224%0.236SC..EExtended strand (participates in β ladder)trans-108.6123-177.7-57.6-88000109.1I80 P81 M84 I203 T210I80-Y205 HydrophobicContact CG2-CD2 4.45Å; I80-Y205 HydrophobicContact CG2-CG 4.37Å; P81-Y205 HydrophobicContact CB-CE2 4.48Å; P81-Y205 HydrophobicContact CG-CE2 3.83Å; M84-Y205 HydrophobicContact CE-CE1 3.94Å; M84-Y205 HydrophobicContact SD-CD1 3.99Å; M84-Y205 HydrophobicContact SD-CE1 3.28Å; M84-Y205 WeakPolarHBondContact SD-CE1 3.3Å; I203-Y205 HydrophobicContact CG2-CE2 4.36Å; Y205-T210 WeakPolarHBondContact CD1-OG1 3.47Å; Y205-T210 WeakPolarHBondContact CE1-OG1 3.45Å
206I75.2Confident84Confident57 Ų5755.1 Ų55.129%0.29226%0.262SS..EExtended strand (participates in β ladder)trans-137.9124.4-175.8-56.5178.8000108.7R208 D209 K211 W238I206-R208 VanDerWaalsContact C-N 3.25Å; I206-R208 PolarHBondContact O-N 3.38Å; I206-R208 VanDerWaalsContact O-N 3.1Å; I206-D209 PolarHBondContact N-O 3.25Å; I206-D209 WeakPolarHBondContact O-CA 3.41Å; I206-D209 PolarHBondContact O-N 3.23Å; I206-K211 HydrophobicContact CD1-CB 4.21Å; I206-K211 HydrophobicContact CD1-CD 3.53Å; I206-W238 HydrophobicContact CB-CH2 4.33Å; I206-W238 HydrophobicContact CB-CZ3 4.14Å; I206-W238 HydrophobicContact CD1-CH2 4.01Å; I206-W238 HydrophobicContact CD1-CZ3 4.45Å
207N66.8Low83.4Confident142 Ų14264.5 Ų64.576%0.75930%0.303SS*.THydrogen-bonded Turntrans4842.7170.3-60.3-24.9000114.5D209N207-D209 VanDerWaalsContact C-N 3.28Å; N207-D209 PolarHBondContact O-N 3.11Å
208R70.9Confident82.6Confident134 Ų13463.8 Ų63.851%0.50631%0.305SS..THydrogen-bonded Turntrans80.2-8.4-177.5-45.1-178.4173.8178.2-2.5117.1I206 S242 L243I206-R208 VanDerWaalsContact C-N 3.25Å; I206-R208 PolarHBondContact O-N 3.38Å; I206-R208 VanDerWaalsContact O-N 3.1Å; R208-S242 PolarHBondContact O-N 3.33Å; R208-S242 VanDerWaalsContact O-N 3.13Å; R208-S242 PolarHBondContact O-OG 3.15Å; R208-L243 VanDerWaalsContact CA-CD1 3.48Å; R208-L243 HydrophobicContact CB-CB 4.32Å; R208-L243 HydrophobicContact CB-CD1 4.03Å; R208-L243 HydrophobicContact CB-CG 4.34Å; R208-L243 HydrophobicContact CG-CD1 4.01Å; R208-L243 PolarHBondContact O-N 3.09Å; R208-L243 VanDerWaalsContact O-N 3.15Å
209D82Confident82.3Confident22 Ų2266.4 Ų66.412%0.11832%0.316CS..EExtended strand (participates in β ladder)trans-99.5155176.5-61.7-25.3000111.6I206 N207 W238 K240 D241I206-D209 PolarHBondContact N-O 3.25Å; I206-D209 WeakPolarHBondContact O-CA 3.41Å; I206-D209 PolarHBondContact O-N 3.23Å; N207-D209 VanDerWaalsContact C-N 3.28Å; N207-D209 PolarHBondContact O-N 3.11Å; D209-W238 HydrophobicContact CB-CE3 3.89Å; D209-W238 HydrophobicContact CB-CZ3 4.14Å; D209-K240 HydrophobicContact CB-CD 4.39Å; D209-K240 VanDerWaalsContact OD1-CA 3.3Å; D209-K240 WeakPolarHBondContact OD1-CA 3.48Å; D209-K240 WeakPolarHBondContact OD1-CD 3.44Å; D209-K240 WeakPolarHBondContact OD2-CD 3.5Å; D209-K240 WeakPolarHBondContact OD2-CE 3.41Å; D209-K240 IonicContact OD2-NZ 3.81Å; D209-K240 PolarHBondContact OD2-NZ 2.89Å; D209-D241 PolarHBondContact OD1-N 2.05Å; D209-D241 VanDerWaalsContact OD1-N 3.09Å
210T84.1Confident82.2Confident5 Ų565.4 Ų65.43%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-97.7119.1169.4-73.70000109.1I203 Y205 I212 W238 L239 S242I203-T210 HydrophobicContact CG2-CG2 3.4Å; I203-T210 VanDerWaalsContact CG2-CG2 3.4Å; Y205-T210 WeakPolarHBondContact CD1-OG1 3.47Å; Y205-T210 WeakPolarHBondContact CE1-OG1 3.45Å; T210-I212 HydrophobicContact CG2-CD1 4.47Å; T210-I212 HydrophobicContact CG2-CG1 3.85Å; T210-W238 CarbonylContact O-C 3.44Å; T210-W238 WeakPolarHBondContact O-CA 3.3Å; T210-L239 PolarHBondContact N-O 2.91Å; T210-L239 PolarHBondContact O-N 3.24Å; T210-S242 WeakPolarHBondContact CB-OG 3.33Å; T210-S242 PolarHBondContact N-OG 3.13Å; T210-S242 VanDerWaalsContact N-OG 3.08Å; T210-S242 WeakPolarHBondContact OG1-CB 3.45Å; T210-S242 PolarHBondContact OG1-OG 3.13Å
211K89Confident82.1Confident56 Ų5668.5 Ų68.524%0.24333%0.332CS..EExtended strand (participates in β ladder)trans-93.4116.9172.6179.7-178174-173.80109.5T204 I206 V236 W238T204-K211 PolarHBondContact N-O 2.87Å; T204-K211 PolarHBondContact O-N 3.3Å; T204-K211 WeakPolarHBondContact OG1-CB 3.33Å; T204-K211 PolarHBondContact OG1-O 2.83Å; I206-K211 HydrophobicContact CD1-CB 4.21Å; I206-K211 HydrophobicContact CD1-CD 3.53Å; K211-V236 HydrophobicContact CD-CG1 4.29Å; K211-V236 HydrophobicContact CG-CG1 3.75Å; K211-W238 HydrophobicContact CB-CD2 4.42Å; K211-W238 HydrophobicContact CB-CE3 3.83Å; K211-W238 HydrophobicContact CB-CH2 3.91Å; K211-W238 HydrophobicContact CB-CZ2 4.45Å; K211-W238 HydrophobicContact CB-CZ3 3.57Å; K211-W238 HydrophobicContact CD-CH2 3.88Å; K211-W238 HydrophobicContact CD-CZ2 4.07Å; K211-W238 HydrophobicContact CD-CZ3 4.42Å; K211-W238 HydrophobicContact CG-CE3 4.41Å; K211-W238 HydrophobicContact CG-CH2 4.05Å; K211-W238 HydrophobicContact CG-CZ2 4.17Å; K211-W238 HydrophobicContact CG-CZ3 4.18Å
212I89.9Confident82Confident0 Ų063.8 Ų63.80%031%0.31CS..EExtended strand (participates in β ladder)trans-104.5117.9-178.8-51.8-175.7000109V200 T210 L214 V236 L237 M250 I270V200-I212 HydrophobicContact CB-CG2 4.44Å; V200-I212 HydrophobicContact CG1-CG2 3.89Å; V200-I212 HydrophobicContact CG2-CG2 3.86Å; T210-I212 HydrophobicContact CG2-CD1 4.47Å; T210-I212 HydrophobicContact CG2-CG1 3.85Å; I212-L214 HydrophobicContact CG2-CD2 4.28Å; I212-V236 WeakPolarHBondContact O-CA 3.28Å; I212-L237 HydrophobicContact CB-CB 4.42Å; I212-L237 PolarHBondContact N-O 3.23Å; I212-L237 PolarHBondContact O-N 2.87Å; I212-M250 HydrophobicContact CD1-CE 3.63Å; I212-M250 HydrophobicContact CD1-SD 3.52Å; I212-M250 VanDerWaalsContact CD1-SD 3.52Å; I212-I270 HydrophobicContact CD1-CD1 3.52Å; I212-I270 HydrophobicContact CG1-CD1 4.47Å
213I89.9Confident82Confident37 Ų3760.8 Ų60.819%0.1930%0.296CS..EExtended strand (participates in β ladder)trans-94.6124.6175.8-57177.1000108.3K201 E202 S235 V236K201-I213 HydrophobicContact CB-CG2 4.41Å; K201-I213 WeakPolarHBondContact CB-O 3.44Å; K201-I213 HydrophobicContact CD-CG2 4.38Å; K201-I213 PolarHBondContact N-O 3.08Å; E202-I213 HydrophobicContact CB-CB 4.17Å; E202-I213 HydrophobicContact CB-CD1 4.3Å; E202-I213 PolarHBondContact N-O 3.05Å; E202-I213 PolarHBondContact O-N 3.31Å; I213-S235 WeakPolarHBondContact CA-O 3.47Å; I213-V236 HydrophobicContact CG1-CG2 4.45Å
214L90.1Very high82.3Confident5 Ų562 Ų623%0.02630%0.302CS..EExtended strand (participates in β ladder)trans-83.6145.8-176.8-52.7-175.4000111.5I198 I212 T216 S235 L237I198-L214 HydrophobicContact CB-CD2 3.98Å; I198-L214 HydrophobicContact CD1-CD2 3.35Å; I198-L214 HydrophobicContact CG1-CD2 4.25Å; I198-L214 HydrophobicContact CG2-CD1 4.01Å; I198-L214 HydrophobicContact CG2-CD2 4Å; I212-L214 HydrophobicContact CG2-CD2 4.28Å; L214-T216 PolarHBondContact O-N 2.81Å; L214-S235 PolarHBondContact N-O 2.92Å; L214-L237 HydrophobicContact CD1-CD1 4.16Å; L214-L237 HydrophobicContact CD1-CD2 4.46Å; L214-L237 HydrophobicContact CD1-CG 4.05Å; L214-L237 HydrophobicContact CD2-CD1 3.81Å; L214-L237 HydrophobicContact CD2-CG 4.03Å; L214-L237 HydrophobicContact CG-CD1 4.43Å; L214-L237 HydrophobicContact CG-CG 4.24Å
215E87.9Confident82.5Confident75 Ų7565 Ų6535%0.3532%0.317SS..  trans-72.2110.2164-169.1-175.5-168.500109.5K199 K201 K217 S218K199-E215 HydrophobicContact CB-CB 4.13Å; K199-E215 VanDerWaalsContact CD-OE2 3.31Å; K199-E215 WeakPolarHBondContact CD-OE2 3.13Å; K199-E215 PolarHBondContact O-N 3.46Å; K201-E215 HydrophobicContact CB-CB 4.42Å; E215-K217 PolarHBondContact O-N 3.08Å; E215-K217 VanDerWaalsContact O-N 3.12Å; E215-S218 PolarHBondContact O-N 3Å; E215-S218 VanDerWaalsContact OE2-CB 3.28Å; E215-S218 WeakPolarHBondContact OE2-CB 3.4Å; E215-S218 PolarHBondContact OE2-OG 2.87Å
216T75.1Confident82.8Confident91 Ų9164.7 Ų64.756%0.55834%0.336SS*.THydrogen-bonded Turntrans-57.9-30-170.530.80000114.8L214 S235L214-T216 PolarHBondContact O-N 2.81Å; T216-S235 WeakPolarHBondContact CG2-OG 2.92Å
217K76.2Confident83.4Confident196 Ų19662.6 Ų62.685%0.85233%0.326SS*.THydrogen-bonded Turntrans-87.5-11.4-178.7-63.9-175.7-179.1178.90114E215E215-K217 PolarHBondContact O-N 3.08Å; E215-K217 VanDerWaalsContact O-N 3.12Å
218S73.7Confident84.3Confident35 Ų3558.2 Ų58.225%0.24531%0.307CS..SBendtrans-112.414-168.8-630000113.6E215E215-S218 PolarHBondContact O-N 3Å; E215-S218 VanDerWaalsContact OE2-CB 3.28Å; E215-S218 WeakPolarHBondContact OE2-CB 3.4Å; E215-S218 PolarHBondContact OE2-OG 2.87Å
219K83.3Confident84.7Confident57 Ų5758.5 Ų58.525%0.24831%0.314CS..  trans-92.3128.3179.273.4-171.7-179.1-164.50112.1K197 I198 L232K197-K219 CarbonylContact O-C 3.54Å; K197-K219 VanDerWaalsContact O-CA 3.3Å; K197-K219 WeakPolarHBondContact O-CA 3.31Å; I198-K219 HydrophobicContact CG2-CB 4.46Å; K219-L232 PolarHBondContact NZ-O 2.96Å
220T86.9Confident84.8Confident62 Ų6266.9 Ų66.938%0.3834%0.344SS..EExtended strand (participates in β ladder)trans-110.3126.5169.9-55.30000108.4L196 K197 Y222L196-T220 CarbonylContact C-O 3.58Å; L196-T220 WeakPolarHBondContact CA-O 3.07Å; K197-T220 PolarHBondContact N-O 3.45Å; K197-T220 PolarHBondContact O-N 3.36Å; T220-Y222 HydrophobicContact CG2-CE1 4.46Å; T220-Y222 HydrophobicContact CG2-CE2 4.23Å
221I87.5Confident84.8Confident77 Ų7767.5 Ų67.540%0.39535%0.347SS..EExtended strand (participates in β ladder)trans-91.5129.4-179.6-59.7165.3000108.7L196 L224 L232L196-I221 HydrophobicContact CD2-CB 4.11Å; L196-I221 HydrophobicContact CD2-CG1 3.76Å; L196-I221 HydrophobicContact CD2-CG2 4.12Å; I221-L224 HydrophobicContact CD1-CD1 4.32Å; I221-L224 HydrophobicContact CG2-CD1 3.74Å; I221-L224 HydrophobicContact CG2-CD2 4.12Å; I221-L224 HydrophobicContact CG2-CG 3.58Å; I221-L232 HydrophobicContact CD1-CD1 3.71Å; I221-L232 HydrophobicContact CG1-CD1 4.11Å
222Y84Confident84.6Confident46 Ų4665.1 Ų65.118%0.1834%0.337CS..EExtended strand (participates in β ladder)trans-111.1-37.7176.8-75.1-69.2000112.9A195 K197 T220 L258 W276 I290A195-Y222 WeakPolarHBondContact O-CA 3.04Å; A195-Y222 WeakPolarHBondContact O-CB 3.42Å; A195-Y222 PolarHBondContact O-N 2.94Å; K197-Y222 HydrophobicContact CB-CD2 4.32Å; K197-Y222 HydrophobicContact CB-CE2 3.55Å; T220-Y222 HydrophobicContact CG2-CE1 4.46Å; T220-Y222 HydrophobicContact CG2-CE2 4.23Å; Y222-L258 HydrophobicContact CD2-CD1 4.05Å; Y222-L258 HydrophobicContact CE2-CD1 4.2Å; Y222-W276 HydrophobicContact CE2-CZ3 4.47Å; Y222-W276 WeakPolarHBondContact OH-CH2 3.46Å; Y222-I290 HydrophobicContact CD1-CD1 4.1Å; Y222-I290 HydrophobicContact CD1-CG2 4.18Å; Y222-I290 HydrophobicContact CG-CD1 3.95Å; Y222-I290 WeakPolarHBondContact O-CG2 3.38Å
223K86.1Confident84.2Confident33 Ų3372.6 Ų72.614%0.14337%0.369CS..EExtended strand (participates in β ladder)trans-146.5140.8176.9179.3178.6174.9-177.60109.8L189 C190 N192 F194 A195L189-K223 HydrophobicContact CD1-CB 4.47Å; L189-K223 HydrophobicContact CD1-CD 4.24Å; L189-K223 HydrophobicContact CG-CD 4.35Å; L189-K223 PolarHBondContact O-NZ 2.88Å; C190-K223 PolarHBondContact O-NZ 3.02Å; C190-K223 VanDerWaalsContact O-NZ 3.16Å; N192-K223 WeakPolarHBondContact O-CE 3.39Å; N192-K223 PolarHBondContact O-NZ 3.01Å; F194-K223 VanDerWaalsContact CA-O 3.29Å; F194-K223 WeakPolarHBondContact CA-O 3.49Å; A195-K223 HydrophobicContact CB-CB 3.93Å; A195-K223 PolarHBondContact N-O 2.91Å; A195-K223 PolarHBondContact O-N 3.49Å; A195-K223 VanDerWaalsContact O-N 3.16Å
224L88.4Confident83.9Confident65 Ų6577.3 Ų77.334%0.3439%0.388SS..EExtended strand (participates in β ladder)trans-140.7124.1165.7-61.1175.1000109D193 F194 L196 I221 V227 L232D193-L224 CarbonylContact O-C 3.51Å; D193-L224 WeakPolarHBondContact O-CA 3.28Å; F194-L224 HydrophobicContact CB-CD2 3.93Å; L196-L224 HydrophobicContact CD2-CD2 4.43Å; I221-L224 HydrophobicContact CD1-CD1 4.32Å; I221-L224 HydrophobicContact CG2-CD1 3.74Å; I221-L224 HydrophobicContact CG2-CD2 4.12Å; I221-L224 HydrophobicContact CG2-CG 3.58Å; L224-V227 HydrophobicContact CB-CB 4.43Å; L224-V227 HydrophobicContact CD2-CB 3.89Å; L224-V227 HydrophobicContact CD2-CG1 3.8Å; L224-L232 HydrophobicContact CD1-CD1 3.83Å; L224-L232 HydrophobicContact CD2-CD1 3.86Å; L224-L232 HydrophobicContact CD2-CG 4.5Å; L224-L232 HydrophobicContact CG-CD1 4.49Å
225N87.1Confident83.8Confident98 Ų9877.6 Ų77.652%0.52439%0.39SS..SBendtrans-131.5117.3172.9-173.118.9000107.7D193 V227D193-N225 WeakPolarHBondContact CB-O 2.92Å; D193-N225 PolarHBondContact O-N 3.21Å; N225-V227 PolarHBondContact O-N 2.5Å
226G84.3Confident84Confident66 Ų6675.4 Ų75.468%0.6838%0.382SS*.SBendtrans65.9-0.8-174.300000115.9K263G226-K263 PolarHBondContact O-NZ 3.12Å
227V87.6Confident84.9Confident12 Ų1271.1 Ų71.17%0.07336%0.356CS..  trans-100.8122.4175-178.90000109.7D193 F194 L224 N225 D231 L232 K263 L268D193-V227 HydrophobicContact CB-CG2 4.11Å; F194-V227 HydrophobicContact CB-CG2 4.24Å; F194-V227 HydrophobicContact CD1-CG2 4.14Å; L224-V227 HydrophobicContact CB-CB 4.43Å; L224-V227 HydrophobicContact CD2-CB 3.89Å; L224-V227 HydrophobicContact CD2-CG1 3.8Å; N225-V227 PolarHBondContact O-N 2.5Å; V227-D231 HydrophobicContact CG1-CB 4.09Å; V227-L232 HydrophobicContact CG1-CD2 4.2Å; V227-L232 HydrophobicContact CG1-CG 4.2Å; V227-K263 HydrophobicContact CG2-CB 4.01Å; V227-K263 HydrophobicContact CG2-CD 4.24Å; V227-L268 HydrophobicContact CG1-CD2 3.9Å; V227-L268 HydrophobicContact CG2-CD2 3.96Å
228S85.6Confident85.6Confident51 Ų5163.6 Ų63.636%0.35732%0.322SS..  trans-91.3159.8179.1710000112R230 D231 L232S228-R230 PolarHBondContact O-N 3.34Å; S228-R230 PolarHBondContact OG-N 3.03Å; S228-D231 WeakPolarHBondContact CB-OD2 3.06Å; S228-D231 PolarHBondContact N-OD2 3.24Å; S228-D231 WeakPolarHBondContact O-CB 3.47Å; S228-D231 PolarHBondContact O-N 2.03Å; S228-D231 PolarHBondContact OG-N 2.97Å; S228-D231 PolarHBondContact OG-OD2 3.47Å; S228-L232 PolarHBondContact O-N 2.91Å
229E80.9Confident86.3Confident139 Ų13962.2 Ų62.265%0.6531%0.312SS*.Hα-helixtrans-57.8-30169.7-70-167.316300112.6D231 L232 K233E229-D231 VanDerWaalsContact C-N 3.32Å; E229-L232 CarbonylContact O-C 3.51Å; E229-L232 PolarHBondContact O-N 3.38Å; E229-K233 WeakPolarHBondContact O-CG 3.5Å; E229-K233 PolarHBondContact O-N 2.85Å
230R82.7Confident86.5Confident198 Ų19862.8 Ų62.875%0.74732%0.315SS*.Hα-helixtrans-64.8-38.1176.4-171.2-174-66176.3-0.6111.3S228 L232 K233S228-R230 PolarHBondContact O-N 3.34Å; S228-R230 PolarHBondContact OG-N 3.03Å; R230-L232 VanDerWaalsContact C-N 3.3Å; R230-K233 WeakPolarHBondContact O-CB 3.43Å; R230-K233 PolarHBondContact O-N 2.84Å
231D84.3Confident85.8Confident19 Ų1964.2 Ų64.210%0.10232%0.32CS..Hα-helixtrans-63.4-42.1174.4-58.3-50.5000110.2V227 S228 E229 K233 K234 K263V227-D231 HydrophobicContact CG1-CB 4.09Å; S228-D231 WeakPolarHBondContact CB-OD2 3.06Å; S228-D231 PolarHBondContact N-OD2 3.24Å; S228-D231 WeakPolarHBondContact O-CB 3.47Å; S228-D231 PolarHBondContact O-N 2.03Å; S228-D231 PolarHBondContact OG-N 2.97Å; S228-D231 PolarHBondContact OG-OD2 3.47Å; E229-D231 VanDerWaalsContact C-N 3.32Å; D231-K233 VanDerWaalsContact C-N 3.3Å; D231-K233 PolarHBondContact O-N 3.4Å; D231-K234 WeakPolarHBondContact O-CB 3.46Å; D231-K234 PolarHBondContact O-N 2.95Å; D231-K263 IonicContact OD1-NZ 3.93Å; D231-K263 PolarHBondContact OD1-NZ 3.32Å; D231-K263 IonicContact OD2-NZ 3.87Å; D231-K263 PolarHBondContact OD2-NZ 2.64Å
232L84.4Confident84.8Confident5 Ų560.6 Ų60.63%0.02630%0.302CS..Hα-helixtrans-71.3-18.7176.9-62179.3000114.3L196 K219 I221 L224 V227 S228 E229 R230 K234 S235 L268L196-L232 HydrophobicContact CD1-CD2 3.82Å; L196-L232 HydrophobicContact CD2-CD1 4.5Å; L196-L232 HydrophobicContact CD2-CD2 4.44Å; K219-L232 PolarHBondContact NZ-O 2.96Å; I221-L232 HydrophobicContact CD1-CD1 3.71Å; I221-L232 HydrophobicContact CG1-CD1 4.11Å; L224-L232 HydrophobicContact CD1-CD1 3.83Å; L224-L232 HydrophobicContact CD2-CD1 3.86Å; L224-L232 HydrophobicContact CD2-CG 4.5Å; L224-L232 HydrophobicContact CG-CD1 4.49Å; V227-L232 HydrophobicContact CG1-CD2 4.2Å; V227-L232 HydrophobicContact CG1-CG 4.2Å; S228-L232 PolarHBondContact O-N 2.91Å; E229-L232 CarbonylContact O-C 3.51Å; E229-L232 PolarHBondContact O-N 3.38Å; R230-L232 VanDerWaalsContact C-N 3.3Å; L232-K234 VanDerWaalsContact C-N 3.27Å; L232-S235 PolarHBondContact O-N 3.11Å; L232-S235 PolarHBondContact O-OG 3.47Å; L232-L268 HydrophobicContact CD2-CD1 3.85Å
233K83.2Confident83.6Confident157 Ų15761.2 Ų61.268%0.68331%0.307SS*.Hα-helixtrans-66.9-30.4174-78.8179.8-176.6-176.80111.8E229 R230 D231 S235E229-K233 WeakPolarHBondContact O-CG 3.5Å; E229-K233 PolarHBondContact O-N 2.85Å; R230-K233 WeakPolarHBondContact O-CB 3.43Å; R230-K233 PolarHBondContact O-N 2.84Å; D231-K233 VanDerWaalsContact C-N 3.3Å; D231-K233 PolarHBondContact O-N 3.4Å; K233-S235 PolarHBondContact O-N 3.37Å; K233-S235 VanDerWaalsContact O-N 3.14Å; K233-S235 PolarHBondContact O-OG 3.27Å; K233-S235 VanDerWaalsContact O-OG 3.09Å
234K83.3Confident82.7Confident137 Ų13765.7 Ų65.760%0.59633%0.329SS*.THydrogen-bonded Turntrans-59.3-25.3174.5-60.8-177.4-176.91750112D231 L232 V236D231-K234 WeakPolarHBondContact O-CB 3.46Å; D231-K234 PolarHBondContact O-N 2.95Å; L232-K234 VanDerWaalsContact C-N 3.27Å; K234-V236 WeakPolarHBondContact O-CG2 3.33Å; K234-V236 PolarHBondContact O-N 3.13Å; K234-V236 VanDerWaalsContact O-N 3.14Å
235S87.9Confident81.9Confident10 Ų1063.5 Ų63.57%0.0732%0.319CS..  trans54.231.9176.9-51.30000113.1I213 L214 T216 L232 K233I213-S235 WeakPolarHBondContact CA-O 3.47Å; L214-S235 PolarHBondContact N-O 2.92Å; T216-S235 WeakPolarHBondContact CG2-OG 2.92Å; L232-S235 PolarHBondContact O-N 3.11Å; L232-S235 PolarHBondContact O-OG 3.47Å; K233-S235 PolarHBondContact O-N 3.37Å; K233-S235 VanDerWaalsContact O-N 3.14Å; K233-S235 PolarHBondContact O-OG 3.27Å; K233-S235 VanDerWaalsContact O-OG 3.09Å
236V91.5Very high81.3Confident30 Ų3059.6 Ų59.618%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-125130.7-179.1171.10000108.4K211 I212 I213 K234 W238K211-V236 HydrophobicContact CD-CG1 4.29Å; K211-V236 HydrophobicContact CG-CG1 3.75Å; I212-V236 WeakPolarHBondContact O-CA 3.28Å; I213-V236 HydrophobicContact CG1-CG2 4.45Å; K234-V236 WeakPolarHBondContact O-CG2 3.33Å; K234-V236 PolarHBondContact O-N 3.13Å; K234-V236 VanDerWaalsContact O-N 3.14Å; V236-W238 HydrophobicContact CG1-CZ2 4.45Å
237L93.4Very high81Confident1 Ų157.3 Ų57.31%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-120.9155.9167.9-54.6-179.2000109.2F194 I198 I212 L214 V259 L268 I270F194-L237 HydrophobicContact CE2-CD2 4.2Å; F194-L237 HydrophobicContact CZ-CD2 4.18Å; I198-L237 HydrophobicContact CD1-CD1 4.1Å; I212-L237 HydrophobicContact CB-CB 4.42Å; I212-L237 PolarHBondContact N-O 3.23Å; I212-L237 PolarHBondContact O-N 2.87Å; L214-L237 HydrophobicContact CD1-CD1 4.16Å; L214-L237 HydrophobicContact CD1-CD2 4.46Å; L214-L237 HydrophobicContact CD1-CG 4.05Å; L214-L237 HydrophobicContact CD2-CD1 3.81Å; L214-L237 HydrophobicContact CD2-CG 4.03Å; L214-L237 HydrophobicContact CG-CD1 4.43Å; L214-L237 HydrophobicContact CG-CG 4.24Å; L237-V259 HydrophobicContact CD1-CG2 3.77Å; L237-L268 WeakPolarHBondContact CA-O 2.96Å; L237-L268 HydrophobicContact CD2-CB 3.54Å; L237-L268 HydrophobicContact CD2-CD1 3.78Å; L237-L268 HydrophobicContact CD2-CG 4.32Å; L237-I270 HydrophobicContact CB-CD1 3.7Å; L237-I270 HydrophobicContact CB-CG1 3.87Å; L237-I270 HydrophobicContact CD1-CD1 3.98Å; L237-I270 HydrophobicContact CD1-CG1 4.16Å
238W91.3Very high80.3Confident37 Ų3763.3 Ų63.314%0.1430%0.299CS..EExtended strand (participates in β ladder)trans-121.3134.4-179.4-66.697.9000111.1I206 D209 T210 K211 V236 E267 L268 V269 I270I206-W238 HydrophobicContact CB-CH2 4.33Å; I206-W238 HydrophobicContact CB-CZ3 4.14Å; I206-W238 HydrophobicContact CD1-CH2 4.01Å; I206-W238 HydrophobicContact CD1-CZ3 4.45Å; D209-W238 HydrophobicContact CB-CE3 3.89Å; D209-W238 HydrophobicContact CB-CZ3 4.14Å; T210-W238 CarbonylContact O-C 3.44Å; T210-W238 WeakPolarHBondContact O-CA 3.3Å; K211-W238 HydrophobicContact CB-CD2 4.42Å; K211-W238 HydrophobicContact CB-CE3 3.83Å; K211-W238 HydrophobicContact CB-CH2 3.91Å; K211-W238 HydrophobicContact CB-CZ2 4.45Å; K211-W238 HydrophobicContact CB-CZ3 3.57Å; K211-W238 HydrophobicContact CD-CH2 3.88Å; K211-W238 HydrophobicContact CD-CZ2 4.07Å; K211-W238 HydrophobicContact CD-CZ3 4.42Å; K211-W238 HydrophobicContact CG-CE3 4.41Å; K211-W238 HydrophobicContact CG-CH2 4.05Å; K211-W238 HydrophobicContact CG-CZ2 4.17Å; K211-W238 HydrophobicContact CG-CZ3 4.18Å; V236-W238 HydrophobicContact CG1-CZ2 4.45Å; W238-E267 PolarHBondContact NE1-OE1 3.49Å; W238-L268 PolarHBondContact N-O 2.62Å; W238-V269 CarbonylContact O-C 3.54Å; W238-V269 WeakPolarHBondContact O-CA 3.46Å; W238-I270 PolarHBondContact O-N 3.32Å
239L89.3Confident79.7Confident6 Ų663.2 Ų63.23%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-109.9108.8166.4176.668.6000107.5A174 T210 C247 M250A174-L239 HydrophobicContact CB-CD1 3.56Å; T210-L239 PolarHBondContact N-O 2.91Å; T210-L239 PolarHBondContact O-N 3.24Å; L239-C247 HydrophobicContact CD2-CB 4.41Å; L239-M250 HydrophobicContact CD2-CE 4.27Å
240K86.8Confident79.3Confident69 Ų6957.5 Ų57.530%0.327%0.267SS..THydrogen-bonded Turntrans-72.7151-176-62.8-62.2-177.3179.40111.7D209 S242 E267 V269D209-K240 HydrophobicContact CB-CD 4.39Å; D209-K240 VanDerWaalsContact OD1-CA 3.3Å; D209-K240 WeakPolarHBondContact OD1-CA 3.48Å; D209-K240 WeakPolarHBondContact OD1-CD 3.44Å; D209-K240 WeakPolarHBondContact OD2-CD 3.5Å; D209-K240 WeakPolarHBondContact OD2-CE 3.41Å; D209-K240 IonicContact OD2-NZ 3.81Å; D209-K240 PolarHBondContact OD2-NZ 2.89Å; K240-S242 PolarHBondContact O-N 3.39Å; K240-S242 VanDerWaalsContact O-N 3.08Å; K240-E267 IonicContact NZ-OE2 2.65Å; K240-E267 PolarHBondContact NZ-OE2 2.65Å; K240-V269 HydrophobicContact CG-CG1 3.74Å; K240-V269 HydrophobicContact CG-CG2 4.48Å
241D73.1Confident78.7Confident93 Ų9351.3 Ų51.350%0.49725%0.248SC..THydrogen-bonded Turntrans58.122.1174.2-60.3-52.4000115.3D209 L243 Q244 C245D209-D241 PolarHBondContact OD1-N 2.05Å; D209-D241 VanDerWaalsContact OD1-N 3.09Å; D241-L243 PolarHBondContact O-N 3.1Å; D241-L243 VanDerWaalsContact O-N 3.13Å; D241-Q244 PolarHBondContact O-N 3Å; D241-C245 PolarHBondContact O-SG 2.96Å; D241-C245 VanDerWaalsContact O-SG 3.36Å
242S64.8Low78.3Confident1 Ų152.7 Ų52.71%0.00726%0.256CS..G310 helixtrans-64.2-18-176.572.90000115.1M84 R208 T210 K240 Q244M84-S242 VanDerWaalsContact CE-O 3.31Å; M84-S242 WeakPolarHBondContact CE-O 3.03Å; R208-S242 PolarHBondContact O-N 3.33Å; R208-S242 VanDerWaalsContact O-N 3.13Å; R208-S242 PolarHBondContact O-OG 3.15Å; T210-S242 WeakPolarHBondContact CB-OG 3.33Å; T210-S242 PolarHBondContact N-OG 3.13Å; T210-S242 VanDerWaalsContact N-OG 3.08Å; T210-S242 WeakPolarHBondContact OG1-CB 3.45Å; T210-S242 PolarHBondContact OG1-OG 3.13Å; K240-S242 PolarHBondContact O-N 3.39Å; K240-S242 VanDerWaalsContact O-N 3.08Å; S242-Q244 PolarHBondContact O-N 3Å
243L60Low77.7Confident58 Ų5855.5 Ų55.530%0.30427%0.27SS..G310 helixtrans-74.5-15.5173.9-74-173.4000112.9Q48 I80 R208 D241Q48-L243 HydrophobicContact CB-CD1 4.47Å; Q48-L243 HydrophobicContact CG-CD1 4.2Å; I80-L243 HydrophobicContact CG2-CD2 4.23Å; R208-L243 VanDerWaalsContact CA-CD1 3.48Å; R208-L243 HydrophobicContact CB-CB 4.32Å; R208-L243 HydrophobicContact CB-CD1 4.03Å; R208-L243 HydrophobicContact CB-CG 4.34Å; R208-L243 HydrophobicContact CG-CD1 4.01Å; R208-L243 PolarHBondContact O-N 3.09Å; R208-L243 VanDerWaalsContact O-N 3.15Å; D241-L243 PolarHBondContact O-N 3.1Å; D241-L243 VanDerWaalsContact O-N 3.13Å
244Q66.4Low77.3Confident127 Ų12754.3 Ų54.359%0.59327%0.271SS*.G310 helixtrans-99.8-1.1177.7-60.1-175.38.600112.5D241 S242D241-Q244 PolarHBondContact O-N 3Å; S242-Q244 PolarHBondContact O-N 3Å
245C72.5Confident77.3Confident20 Ų2048 Ų4814%0.13525%0.245CC..SBendtrans-148.6153-173.365.30000113.9K170 C172 D241K170-C245 HydrophobicContact CB-CB 4.36Å; K170-C245 CarbonylContact O-C 3.54Å; K170-C245 WeakPolarHBondContact O-CA 3.17Å; K170-C245 WeakPolarHBondContact O-CB 3.25Å; C172-C245 WeakPolarHBondContact CA-SG 3.34Å; C172-C245 HydrophobicContact CB-CB 3.9Å; C172-C245 WeakPolarHBondContact CB-SG 3.03Å; C172-C245 WeakPolarHBondContact SG-CB 3.35Å; C172-C245 PolarHBondContact SG-O 3.34Å; C172-C245 VanDerWaalsContact SG-O 3.4Å; C172-C245 CovalentContact SG-SG 2.04Å; C172-C245 PolarHBondContact SG-SG 2.95Å; D241-C245 PolarHBondContact O-SG 2.96Å; D241-C245 VanDerWaalsContact O-SG 3.36Å
246T74.4Confident77.3Confident15 Ų1549.1 Ų49.19%0.09225%0.252CS..BIsolated β-bridgetrans-100150.4175.258.80000111P169 K170 V171 C172P169-T246 HydrophobicContact CB-CG2 4.31Å; K170-T246 PolarHBondContact O-N 3.23Å; V171-T246 WeakPolarHBondContact CA-O 3.32Å; C172-T246 PolarHBondContact N-O 3.05Å
247C77.2Confident77.2Confident18 Ų1847.8 Ų47.812%0.12224%0.244CC..  trans-131.883.5176.3-177.70000109.6C175 L239 E249 M250C175-C247 HydrophobicContact CB-CB 3.76Å; C175-C247 WeakPolarHBondContact CB-SG 3.26Å; C175-C247 WeakPolarHBondContact SG-CB 2.99Å; C175-C247 CovalentContact SG-SG 2.01Å; C175-C247 PolarHBondContact SG-SG 3.4Å; L239-C247 HydrophobicContact CD2-CB 4.41Å; C247-E249 PolarHBondContact O-N 3.45Å; C247-M250 PolarHBondContact O-N 3.1Å
248E72.9Confident76.9Confident139 Ų13948 Ų4865%0.6525%0.245SC*.G310 helixtrans-63-28.9-176.4-65.9-175.1176.200113.2M250 N251E248-M250 PolarHBondContact O-N 2.9Å; E248-N251 WeakPolarHBondContact CA-ND2 3.48Å; E248-N251 WeakPolarHBondContact O-CB 3.03Å; E248-N251 PolarHBondContact O-N 2.8Å; E248-N251 PolarHBondContact O-ND2 3.01Å
249E73.8Confident76.9Confident48 Ų4846.2 Ų46.222%0.22424%0.238CC..G310 helixtrans-52.2-40.7176-77.2-65.2129.800111.7C247 N251 Y257 V273 R275C247-E249 PolarHBondContact O-N 3.45Å; E249-N251 VanDerWaalsContact C-N 3.29Å; E249-N251 PolarHBondContact O-N 3.16Å; E249-Y257 WeakPolarHBondContact O-CE1 3.22Å; E249-Y257 PolarHBondContact O-OH 2.87Å; E249-V273 HydrophobicContact CB-CG1 4.5Å; E249-R275 WeakPolarHBondContact OE2-CB 3.34Å; E249-R275 PolarHBondContact OE2-N 3.34Å
250M72.9Confident77Confident19 Ų1946.6 Ų46.69%0.09424%0.24CC..G310 helixtrans-88.114.7-178.5-63.4-162.2-37.800114.5I203 I212 L239 C247 E248 D252 Y257 V273I203-M250 HydrophobicContact CD1-CE 4.27Å; I212-M250 HydrophobicContact CD1-CE 3.63Å; I212-M250 HydrophobicContact CD1-SD 3.52Å; I212-M250 VanDerWaalsContact CD1-SD 3.52Å; L239-M250 HydrophobicContact CD2-CE 4.27Å; C247-M250 PolarHBondContact O-N 3.1Å; E248-M250 PolarHBondContact O-N 2.9Å; M250-D252 PolarHBondContact O-N 3.44Å; M250-Y257 WeakPolarHBondContact CA-OH 3.41Å; M250-Y257 HydrophobicContact CG-CE1 4.41Å; M250-V273 HydrophobicContact CG-CG1 3.67Å; M250-V273 HydrophobicContact SD-CG1 4.14Å; M250-V273 HydrophobicContact SD-CG2 4.34Å
251N69.8Low77.3Confident68 Ų6843.3 Ų43.336%0.36423%0.226SC..G310 helixtrans-63.3-23.3-177.9-77.8-17.9000113.3K85 F132 E248 E249K85-N251 PolarHBondContact NZ-OD1 2.93Å; F132-N251 VanDerWaalsContact CE1-O 3.29Å; F132-N251 WeakPolarHBondContact CE1-O 3.3Å; F132-N251 WeakPolarHBondContact CZ-O 3.29Å; E248-N251 WeakPolarHBondContact CA-ND2 3.48Å; E248-N251 WeakPolarHBondContact O-CB 3.03Å; E248-N251 PolarHBondContact O-N 2.8Å; E248-N251 PolarHBondContact O-ND2 3.01Å; E249-N251 VanDerWaalsContact C-N 3.29Å; E249-N251 PolarHBondContact O-N 3.16Å
252D75.1Confident78.3Confident49 Ų4942 Ų4226%0.26222%0.217SC..  trans-108.991.6179.7176.86.8000111.5M250 N254 A255 Y257 R275M250-D252 PolarHBondContact O-N 3.44Å; D252-N254 PolarHBondContact O-N 3.28Å; D252-N254 WeakPolarHBondContact OD1-CB 3.49Å; D252-N254 PolarHBondContact OD1-N 2.97Å; D252-A255 HydrophobicContact CB-CB 4.18Å; D252-A255 WeakPolarHBondContact O-CB 3.04Å; D252-A255 PolarHBondContact O-N 3.44Å; D252-A255 PolarHBondContact OD1-N 3.48Å; D252-Y257 PolarHBondContact N-OH 3.18Å; D252-Y257 WeakPolarHBondContact O-CE2 3.4Å; D252-Y257 VanDerWaalsContact O-CZ 3.31Å; D252-Y257 PolarHBondContact O-OH 2.99Å; D252-R275 IonicContact OD2-CZ 2.64Å; D252-R275 IonicContact OD2-NE 3.5Å; D252-R275 IonicContact OD2-NH2 2.75Å; D252-R275 PolarHBondContact OD2-NH2 2.86Å
253I71.4Confident79.6Confident63 Ų6345.3 Ų45.332%0.32323%0.231SC..THydrogen-bonded Turntrans-60.2-19.6-178.360.5171.1000114.1I203 A255I203-I253 HydrophobicContact CD1-CG2 3.85Å; I203-I253 HydrophobicContact CG1-CG2 4.43Å; I253-A255 VanDerWaalsContact C-N 3.34Å
254N75.6Confident81.1Confident132 Ų13246.8 Ų46.871%0.70624%0.236SC*.THydrogen-bonded Turntrans-82.8-15.2179.4-61.4-52.9000112.6D252D252-N254 PolarHBondContact O-N 3.28Å; D252-N254 WeakPolarHBondContact OD1-CB 3.49Å; D252-N254 PolarHBondContact OD1-N 2.97Å
255A83.8Confident82Confident6 Ų645.2 Ų45.25%0.0525%0.254CS..SBendtrans-72.614717600000111.4D252 I253 Y257 R275D252-A255 HydrophobicContact CB-CB 4.18Å; D252-A255 WeakPolarHBondContact O-CB 3.04Å; D252-A255 PolarHBondContact O-N 3.44Å; D252-A255 PolarHBondContact OD1-N 3.48Å; I253-A255 VanDerWaalsContact C-N 3.34Å; A255-Y257 HydrophobicContact CB-CE2 4.06Å; A255-Y257 WeakPolarHBondContact O-CD2 3.5Å; A255-Y257 WeakPolarHBondContact O-CE2 3.39Å; A255-R275 HydrophobicContact CB-CG 4.03Å
256P87.5Confident82.6Confident33 Ų3346 Ų4621%0.21427%0.265CS..EExtended strand (participates in β ladder)trans-72.6150.316326.4-24.6000110.3I198 K199 W276I198-P256 CarbonylContact O-C 3.54Å; I198-P256 WeakPolarHBondContact O-CA 3.15Å; K199-P256 HydrophobicContact CG-CB 4.35Å; P256-W276 HydrophobicContact CB-CB 3.94Å; P256-W276 HydrophobicContact CB-CG 4.32Å; P256-W276 HydrophobicContact CG-CB 3.93Å; P256-W276 HydrophobicContact CG-CG 4.2Å; P256-W276 WeakPolarHBondContact O-CA 3.34Å; P256-W276 WeakPolarHBondContact O-CB 3.42Å; P256-W276 PolarHBondContact O-N 2.55Å
257Y88.7Confident83.4Confident1 Ų148.6 Ų48.60%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-129.5143.9-179.5-67.4-78.9000111K197 I198 V200 E249 M250 D252 A255 V273 K274 R275K197-Y257 CarbonylContact C-O 3.51Å; K197-Y257 WeakPolarHBondContact CA-O 3.46Å; I198-Y257 PolarHBondContact N-O 3.02Å; I198-Y257 PolarHBondContact O-N 3.22Å; V200-Y257 HydrophobicContact CG2-CD2 4.08Å; V200-Y257 HydrophobicContact CG2-CE2 4.32Å; E249-Y257 WeakPolarHBondContact O-CE1 3.22Å; E249-Y257 PolarHBondContact O-OH 2.87Å; M250-Y257 WeakPolarHBondContact CA-OH 3.41Å; M250-Y257 HydrophobicContact CG-CE1 4.41Å; D252-Y257 PolarHBondContact N-OH 3.18Å; D252-Y257 WeakPolarHBondContact O-CE2 3.4Å; D252-Y257 VanDerWaalsContact O-CZ 3.31Å; D252-Y257 PolarHBondContact O-OH 2.99Å; A255-Y257 HydrophobicContact CB-CE2 4.06Å; A255-Y257 WeakPolarHBondContact O-CD2 3.5Å; A255-Y257 WeakPolarHBondContact O-CE2 3.39Å; Y257-V273 HydrophobicContact CD1-CG1 3.99Å; Y257-K274 WeakPolarHBondContact CA-O 3.16Å; Y257-R275 HydrophobicContact CD1-CB 4.25Å; Y257-R275 HydrophobicContact CE1-CB 3.92Å; Y257-R275 HydrophobicContact CE1-CG 3.98Å
258L88.4Confident84.2Confident5 Ų548.1 Ų48.13%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-91.3121.1160.3-179.366.6000107.7Y222 K274 W276 F283 I286Y222-L258 HydrophobicContact CD2-CD1 4.05Å; Y222-L258 HydrophobicContact CE2-CD1 4.2Å; L258-K274 PolarHBondContact N-O 3.01Å; L258-K274 PolarHBondContact O-N 2.82Å; L258-W276 HydrophobicContact CB-CE3 4.32Å; L258-F283 HydrophobicContact CB-CE1 3.98Å; L258-F283 HydrophobicContact CD2-CD1 4.13Å; L258-F283 HydrophobicContact CD2-CE1 3.89Å; L258-I286 HydrophobicContact CD2-CD1 3.71Å; L258-I286 HydrophobicContact CD2-CG2 4.17Å
259V91Very high85.2Confident1 Ų141.9 Ų41.91%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-120.6136.6177.3-62.40000110.2A195 L196 I198 L237 S272 V273A195-V259 WeakPolarHBondContact CA-O 3.23Å; L196-V259 HydrophobicContact CB-CG2 3.9Å; L196-V259 PolarHBondContact N-O 2.86Å; L196-V259 WeakPolarHBondContact O-CG2 3.41Å; L196-V259 PolarHBondContact O-N 3.08Å; I198-V259 HydrophobicContact CD1-CB 4.38Å; I198-V259 HydrophobicContact CD1-CG1 3.63Å; I198-V259 HydrophobicContact CD1-CG2 3.8Å; I198-V259 HydrophobicContact CG1-CG1 3.98Å; I198-V259 HydrophobicContact CG1-CG2 3.92Å; I198-V259 HydrophobicContact CG2-CG2 3.98Å; L237-V259 HydrophobicContact CD1-CG2 3.77Å; V259-S272 WeakPolarHBondContact CA-O 3.48Å; V259-V273 HydrophobicContact CG1-CG1 4.32Å; V259-V273 HydrophobicContact CG1-CG2 4.25Å
260M90.9Very high86.1Confident14 Ų1440 Ų407%0.06924%0.235CC..EExtended strand (participates in β ladder)trans-125.4151.3173.1-60178-76.100109.3T188 L189 N192 F194 A195 T271 S272T188-M260 HydrophobicContact CG2-CE 3.63Å; T188-M260 HydrophobicContact CG2-SD 4.23Å; L189-M260 HydrophobicContact CB-SD 4.41Å; L189-M260 HydrophobicContact CD1-SD 4.16Å; N192-M260 HydrophobicContact CB-CB 4.16Å; F194-M260 VanDerWaalsContact O-CA 3.3Å; F194-M260 WeakPolarHBondContact O-CA 3.44Å; A195-M260 HydrophobicContact CB-CG 3.88Å; M260-T271 PolarHBondContact O-N 2.55Å; M260-T271 PolarHBondContact O-OG1 3.02Å; M260-S272 WeakPolarHBondContact CE-OG 3.47Å; M260-S272 PolarHBondContact N-O 3.34Å; M260-S272 PolarHBondContact O-N 2.86Å; M260-S272 VanDerWaalsContact O-N 3.17Å
261G93.1Very high86.9Confident0 Ų041 Ų410%024%0.243CC..EExtended strand (participates in β ladder)trans-175.3-176.9-176.100000114.7N192 D193 F194 V269 T271N192-G261 WeakPolarHBondContact CB-O 3.08Å; N192-G261 VanDerWaalsContact OD1-C 3.25Å; N192-G261 VanDerWaalsContact OD1-CA 3.25Å; N192-G261 WeakPolarHBondContact OD1-CA 3.01Å; N192-G261 PolarHBondContact OD1-N 2.79Å; N192-G261 PolarHBondContact OD1-O 3.29Å; D193-G261 PolarHBondContact N-O 3.23Å; F194-G261 VanDerWaalsContact CD1-C 3.48Å; F194-G261 VanDerWaalsContact CD1-O 3.27Å; F194-G261 WeakPolarHBondContact CD1-O 3.42Å; F194-G261 VanDerWaalsContact CZ-CA 3.45Å; F194-G261 PolarHBondContact N-O 3.17Å; F194-G261 PolarHBondContact O-N 2.65Å; F194-G261 VanDerWaalsContact O-N 3.1Å; G261-V269 CarbonylContact C-O 3.04Å; G261-V269 WeakPolarHBondContact CA-O 3.34Å; G261-T271 WeakPolarHBondContact CA-OG1 3.25Å
262Q93.7Very high87.8Confident65 Ų6539 Ų3930%0.30423%0.233SC..EExtended strand (participates in β ladder)trans-122.8152.1-177-69.2179.1-19.800111.2K191 D193 Q264 V269 T271K191-Q262 PolarHBondContact O-NE2 2.98Å; D193-Q262 VanDerWaalsContact OD2-CA 3.3Å; D193-Q262 WeakPolarHBondContact OD2-CA 3.49Å; Q262-Q264 HydrophobicContact CB-CG 4.3Å; Q262-V269 PolarHBondContact N-O 2.84Å; Q262-V269 PolarHBondContact O-N 2.99Å; Q262-T271 HydrophobicContact CG-CG2 4.4Å
263K93.2Very high88.4Confident70 Ų7037 Ų3730%0.30422%0.223SC..EExtended strand (participates in β ladder)trans-91.9110.5173-175.7176.1172.9-179.40109.4D193 G226 V227 D231 E267 L268D193-K263 PolarHBondContact OD2-N 3.33Å; G226-K263 PolarHBondContact O-NZ 3.12Å; V227-K263 HydrophobicContact CG2-CB 4.01Å; V227-K263 HydrophobicContact CG2-CD 4.24Å; D231-K263 IonicContact OD1-NZ 3.93Å; D231-K263 PolarHBondContact OD1-NZ 3.32Å; D231-K263 IonicContact OD2-NZ 3.87Å; D231-K263 PolarHBondContact OD2-NZ 2.64Å; K263-E267 CarbonylContact C-O 3.54Å; K263-E267 VanDerWaalsContact CA-O 3.28Å; K263-E267 WeakPolarHBondContact CA-O 3.28Å; K263-L268 HydrophobicContact CB-CD2 4.13Å; K263-L268 HydrophobicContact CG-CD2 4.19Å
264Q91.6Very high89.1Confident90 Ų9035.7 Ų35.742%0.42122%0.215SC..EExtended strand (participates in β ladder)trans-122.1122.2-177.6-60-18012.900109.1Q262 G266 E267 V269Q262-Q264 HydrophobicContact CB-CG 4.3Å; Q264-G266 PolarHBondContact O-N 2.83Å; Q264-E267 PolarHBondContact N-O 2.74Å; Q264-E267 WeakPolarHBondContact O-CB 3.3Å; Q264-E267 PolarHBondContact O-N 3.03Å; Q264-V269 HydrophobicContact CB-CG2 4.2Å; Q264-V269 HydrophobicContact CG-CG2 4.47Å
265G84.3Confident89.6Confident94 Ų9433.8 Ų33.897%0.96920%0.198SC*.THydrogen-bonded Turntrans58.222.4178.300000115.2E267G265-E267 VanDerWaalsContact C-N 3.33Å
266G85.2Confident89.5Confident35 Ų3535.2 Ų35.236%0.36120%0.202SC..THydrogen-bonded Turntrans84.80.4-174.800000115.2Q264Q264-G266 PolarHBondContact O-N 2.83Å
267E91.3Very high88.9Confident70 Ų7037.9 Ų37.933%0.32721%0.212SC..EExtended strand (participates in β ladder)trans-94.8151.4170.1-58-164.9141.400110.8W238 K240 K263 Q264 G265 V269W238-E267 PolarHBondContact NE1-OE1 3.49Å; K240-E267 IonicContact NZ-OE2 2.65Å; K240-E267 PolarHBondContact NZ-OE2 2.65Å; K263-E267 CarbonylContact C-O 3.54Å; K263-E267 VanDerWaalsContact CA-O 3.28Å; K263-E267 WeakPolarHBondContact CA-O 3.28Å; Q264-E267 PolarHBondContact N-O 2.74Å; Q264-E267 WeakPolarHBondContact O-CB 3.3Å; Q264-E267 PolarHBondContact O-N 3.03Å; G265-E267 VanDerWaalsContact C-N 3.33Å; E267-V269 HydrophobicContact CB-CG2 4.39Å
268L93.6Very high87.8Confident8 Ų847.8 Ų47.84%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-99.6104.6173-60.9179000108.3F194 V227 L232 L237 W238 K263F194-L268 HydrophobicContact CD1-CD2 4.07Å; F194-L268 HydrophobicContact CE1-CB 3.85Å; F194-L268 HydrophobicContact CE1-CD2 3.97Å; F194-L268 HydrophobicContact CE1-CG 4.44Å; F194-L268 HydrophobicContact CZ-CB 3.99Å; V227-L268 HydrophobicContact CG1-CD2 3.9Å; V227-L268 HydrophobicContact CG2-CD2 3.96Å; L232-L268 HydrophobicContact CD2-CD1 3.85Å; L237-L268 WeakPolarHBondContact CA-O 2.96Å; L237-L268 HydrophobicContact CD2-CB 3.54Å; L237-L268 HydrophobicContact CD2-CD1 3.78Å; L237-L268 HydrophobicContact CD2-CG 4.32Å; W238-L268 PolarHBondContact N-O 2.62Å; K263-L268 HydrophobicContact CB-CD2 4.13Å; K263-L268 HydrophobicContact CG-CD2 4.19Å
269V93.5Very high86.6Confident9 Ų950 Ų506%0.05528%0.279CS..EExtended strand (participates in β ladder)trans-100.4126.2-174.9-179.50000109.7W238 K240 G261 Q262 Q264 E267W238-V269 CarbonylContact O-C 3.54Å; W238-V269 WeakPolarHBondContact O-CA 3.46Å; K240-V269 HydrophobicContact CG-CG1 3.74Å; K240-V269 HydrophobicContact CG-CG2 4.48Å; G261-V269 CarbonylContact C-O 3.04Å; G261-V269 WeakPolarHBondContact CA-O 3.34Å; Q262-V269 PolarHBondContact N-O 2.84Å; Q262-V269 PolarHBondContact O-N 2.99Å; Q264-V269 HydrophobicContact CB-CG2 4.2Å; Q264-V269 HydrophobicContact CG-CG2 4.47Å; E267-V269 HydrophobicContact CB-CG2 4.39Å
270I92.8Very high85.5Confident7 Ų752.9 Ų52.94%0.03629%0.292CS..EExtended strand (participates in β ladder)trans-79.1129.5-179.3-60175.5000109.3A174 I212 L237 W238 V273A174-I270 HydrophobicContact CB-CG2 4.27Å; I212-I270 HydrophobicContact CD1-CD1 3.52Å; I212-I270 HydrophobicContact CG1-CD1 4.47Å; L237-I270 HydrophobicContact CB-CD1 3.7Å; L237-I270 HydrophobicContact CB-CG1 3.87Å; L237-I270 HydrophobicContact CD1-CD1 3.98Å; L237-I270 HydrophobicContact CD1-CG1 4.16Å; W238-I270 PolarHBondContact O-N 3.32Å; I270-V273 HydrophobicContact CG2-CG2 3.37Å
271T90.4Very high84.2Confident42 Ų4261.4 Ų61.426%0.25832%0.324SS..EExtended strand (participates in β ladder)trans-116.7-11.517762.40000112.2A174 N192 M260 G261 Q262A174-T271 VanDerWaalsContact CA-O 3.28Å; A174-T271 WeakPolarHBondContact CA-O 3.31Å; N192-T271 VanDerWaalsContact CG-OG1 3.29Å; N192-T271 PolarHBondContact ND2-OG1 2.86Å; N192-T271 PolarHBondContact OD1-OG1 2.87Å; M260-T271 PolarHBondContact O-N 2.55Å; M260-T271 PolarHBondContact O-OG1 3.02Å; G261-T271 WeakPolarHBondContact CA-OG1 3.25Å; Q262-T271 HydrophobicContact CG-CG2 4.4Å
272S88.8Confident82.8Confident24 Ų2462.5 Ų62.517%0.16833%0.329CS..EExtended strand (participates in β ladder)trans-154.9135.3175177.60000111.3A174 V259 M260A174-S272 CarbonylContact O-C 3.56Å; A174-S272 VanDerWaalsContact O-CA 3.24Å; A174-S272 WeakPolarHBondContact O-CA 3.5Å; V259-S272 WeakPolarHBondContact CA-O 3.48Å; M260-S272 WeakPolarHBondContact CE-OG 3.47Å; M260-S272 PolarHBondContact N-O 3.34Å; M260-S272 PolarHBondContact O-N 2.86Å; M260-S272 VanDerWaalsContact O-N 3.17Å
273V87.8Confident81.6Confident7 Ų759.5 Ų59.54%0.04232%0.315CS..EExtended strand (participates in β ladder)trans-130.3133.5175.2-175.90000109.4A174 E249 M250 Y257 V259 I270A174-V273 PolarHBondContact O-N 3.44Å; E249-V273 HydrophobicContact CB-CG1 4.5Å; M250-V273 HydrophobicContact CG-CG1 3.67Å; M250-V273 HydrophobicContact SD-CG1 4.14Å; M250-V273 HydrophobicContact SD-CG2 4.34Å; Y257-V273 HydrophobicContact CD1-CG1 3.99Å; V259-V273 HydrophobicContact CG1-CG1 4.32Å; V259-V273 HydrophobicContact CG1-CG2 4.25Å; I270-V273 HydrophobicContact CG2-CG2 3.37Å
274K86.1Confident80.4Confident36 Ų3662.2 Ų62.216%0.15733%0.327CS..EExtended strand (participates in β ladder)trans-140133.7171.7-154.4169.3-161.5176.10111.5D180 Y257 L258 W276 E282 F283D180-K274 IonicContact OD1-NZ 3.55Å; D180-K274 PolarHBondContact OD1-NZ 3.1Å; Y257-K274 WeakPolarHBondContact CA-O 3.16Å; L258-K274 PolarHBondContact N-O 3.01Å; L258-K274 PolarHBondContact O-N 2.82Å; K274-W276 PolarHBondContact O-N 2.84Å; K274-E282 WeakPolarHBondContact CE-OE2 3.27Å; K274-E282 IonicContact NZ-OE1 2.76Å; K274-E282 PolarHBondContact NZ-OE1 3.15Å; K274-E282 IonicContact NZ-OE2 3.45Å; K274-E282 PolarHBondContact NZ-OE2 3.11Å; K274-F283 HydrophobicContact CB-CE1 4.5Å; K274-F283 HydrophobicContact CB-CZ 4.32Å; K274-F283 HydrophobicContact CD-CE1 4.45Å; K274-F283 HydrophobicContact CD-CZ 4.18Å; K274-F283 HydrophobicContact CG-CZ 4.06Å
275R86.4Confident79.2Confident93 Ų9362.4 Ų62.435%0.35132%0.324SS..EExtended strand (participates in β ladder)trans-65.6125.8177.7-170.5174.3-179.2-158.32.4111.3E249 D252 A255 Y257 Q277 F283E249-R275 WeakPolarHBondContact OE2-CB 3.34Å; E249-R275 PolarHBondContact OE2-N 3.34Å; D252-R275 IonicContact OD2-CZ 2.64Å; D252-R275 IonicContact OD2-NE 3.5Å; D252-R275 IonicContact OD2-NH2 2.75Å; D252-R275 PolarHBondContact OD2-NH2 2.86Å; A255-R275 HydrophobicContact CB-CG 4.03Å; Y257-R275 HydrophobicContact CD1-CB 4.25Å; Y257-R275 HydrophobicContact CE1-CB 3.92Å; Y257-R275 HydrophobicContact CE1-CG 3.98Å; R275-Q277 PolarHBondContact O-N 3.01Å; R275-F283 WeakPolarHBondContact O-CE2 3.17Å; R275-F283 WeakPolarHBondContact O-CZ 3.16Å
276W80.9Confident78.3Confident36 Ų3658.3 Ų58.314%0.13628%0.279CS..  trans-80.5107.1-179.1-178.2-77.4000111.4K197 Y222 P256 L258 K274 F283K197-W276 HydrophobicContact CD-CD2 3.83Å; K197-W276 HydrophobicContact CD-CE3 3.97Å; K197-W276 HydrophobicContact CD-CG 4.3Å; K197-W276 HydrophobicContact CD-CH2 4.36Å; K197-W276 HydrophobicContact CD-CZ2 4.25Å; K197-W276 HydrophobicContact CD-CZ3 4.23Å; K197-W276 HydrophobicContact CG-CD2 4.49Å; K197-W276 HydrophobicContact CG-CE3 4.43Å; K197-W276 VanDerWaalsContact NZ-CE2 3.33Å; Y222-W276 HydrophobicContact CE2-CZ3 4.47Å; Y222-W276 WeakPolarHBondContact OH-CH2 3.46Å; P256-W276 HydrophobicContact CB-CB 3.94Å; P256-W276 HydrophobicContact CB-CG 4.32Å; P256-W276 HydrophobicContact CG-CB 3.93Å; P256-W276 HydrophobicContact CG-CG 4.2Å; P256-W276 WeakPolarHBondContact O-CA 3.34Å; P256-W276 WeakPolarHBondContact O-CB 3.42Å; P256-W276 PolarHBondContact O-N 2.55Å; L258-W276 HydrophobicContact CB-CE3 4.32Å; K274-W276 PolarHBondContact O-N 2.84Å; W276-F283 HydrophobicContact CD2-CB 4.45Å; W276-F283 HydrophobicContact CD2-CD1 4.27Å; W276-F283 HydrophobicContact CD2-CD2 4.32Å; W276-F283 HydrophobicContact CD2-CG 4.09Å; W276-F283 HydrophobicContact CE3-CB 4.12Å; W276-F283 AromaticContact CE3-CD1 3.47Å; W276-F283 HydrophobicContact CE3-CD1 3.47Å; W276-F283 VanDerWaalsContact CE3-CD1 3.47Å; W276-F283 HydrophobicContact CE3-CD2 4.31Å; W276-F283 AromaticContact CE3-CE1 3.96Å; W276-F283 HydrophobicContact CE3-CE1 3.96Å; W276-F283 AromaticContact CE3-CG 3.7Å; W276-F283 HydrophobicContact CE3-CG 3.7Å; W276-F283 HydrophobicContact CH2-CB 3.71Å; W276-F283 HydrophobicContact CH2-CD1 4.38Å; W276-F283 HydrophobicContact CH2-CG 4.22Å; W276-F283 HydrophobicContact CZ2-CB 4.03Å; W276-F283 HydrophobicContact CZ3-CB 3.75Å; W276-F283 AromaticContact CZ3-CD1 3.55Å; W276-F283 HydrophobicContact CZ3-CD1 3.55Å; W276-F283 HydrophobicContact CZ3-CE1 4.41Å; W276-F283 AromaticContact CZ3-CG 3.78Å; W276-F283 HydrophobicContact CZ3-CG 3.78Å
277Q75.8Confident77.4Confident89 Ų8958 Ų5842%0.41627%0.272SS..  trans-105.4128.2175.1-63.6-172.1-800111.6R275 G279 Q280R275-Q277 PolarHBondContact O-N 3.01Å; Q277-G279 PolarHBondContact O-N 2.97Å; Q277-Q280 HydrophobicContact CB-CG 3.89Å; Q277-Q280 VanDerWaalsContact CD-NE2 3.31Å; Q277-Q280 PolarHBondContact O-N 3.43Å
278K65Low76.4Confident208 Ų20862.1 Ų62.190%0.90428%0.284SS*.THydrogen-bonded Turntrans-63.6122.5175.4-81.3-176178.3177.70109.4
279G63.3Low75Confident52 Ų5263.4 Ų63.454%0.53629%0.294SS..THydrogen-bonded Turntrans103.2-13174.500000115Q277 R281Q277-G279 PolarHBondContact O-N 2.97Å; G279-R281 PolarHBondContact O-N 2.02Å
280Q67.7Low73.6Confident61 Ų6164 Ų6429%0.28530%0.297SS..  trans-61.1132.6171.9-78.7-172.21.600110.7Q277 E282 F283 K284Q277-Q280 HydrophobicContact CB-CG 3.89Å; Q277-Q280 VanDerWaalsContact CD-NE2 3.31Å; Q277-Q280 PolarHBondContact O-N 3.43Å; Q280-E282 PolarHBondContact O-N 2.81Å; Q280-F283 HydrophobicContact CB-CD2 3.83Å; Q280-F283 HydrophobicContact CB-CE2 4.27Å; Q280-F283 PolarHBondContact O-N 3.26Å; Q280-K284 PolarHBondContact O-N 3.23Å
281R64.7Low72.2Confident194 Ų19473.7 Ų73.773%0.73233%0.333SS*.Hα-helixtrans-60.5-38.8-176-71.1-179.8176.4-179.4-1.2111.1G279 K284 R285G279-R281 PolarHBondContact O-N 2.02Å; R281-K284 PolarHBondContact O-N 2.92Å; R281-R285 VanDerWaalsContact O-CG 3.29Å; R281-R285 WeakPolarHBondContact O-CG 3.47Å; R281-R285 PolarHBondContact O-N 3.14Å
282E63.4Low70.8Confident22 Ų2280.5 Ų80.510%0.10336%0.359CS..Hα-helixtrans-58.4-51-179.7-166.5-169165.300112.7I185 K274 Q280 K284 R285 I286I185-E282 HydrophobicContact CD1-CG 3.47Å; I185-E282 VanDerWaalsContact CD1-CG 3.47Å; I185-E282 WeakPolarHBondContact CD1-OE1 3.41Å; K274-E282 WeakPolarHBondContact CE-OE2 3.27Å; K274-E282 IonicContact NZ-OE1 2.76Å; K274-E282 PolarHBondContact NZ-OE1 3.15Å; K274-E282 IonicContact NZ-OE2 3.45Å; K274-E282 PolarHBondContact NZ-OE2 3.11Å; Q280-E282 PolarHBondContact O-N 2.81Å; E282-K284 PolarHBondContact O-N 2.84Å; E282-R285 CarbonylContact O-C 3.55Å; E282-R285 WeakPolarHBondContact O-CA 3.27Å; E282-R285 WeakPolarHBondContact O-CB 3.46Å; E282-R285 PolarHBondContact O-N 2.76Å; E282-I286 HydrophobicContact CG-CD1 3.96Å; E282-I286 HydrophobicContact CG-CG1 4.43Å; E282-I286 WeakPolarHBondContact O-CG1 3.28Å; E282-I286 PolarHBondContact O-N 2.89Å
283F67.2Low69.6Low3 Ų382.2 Ų82.21%0.01337%0.366CS..Hα-helixtrans-66-36179.9-65.6-52.5000113.8L258 K274 R275 W276 Q280 R285 I286 S287L258-F283 HydrophobicContact CB-CE1 3.98Å; L258-F283 HydrophobicContact CD2-CD1 4.13Å; L258-F283 HydrophobicContact CD2-CE1 3.89Å; K274-F283 HydrophobicContact CB-CE1 4.5Å; K274-F283 HydrophobicContact CB-CZ 4.32Å; K274-F283 HydrophobicContact CD-CE1 4.45Å; K274-F283 HydrophobicContact CD-CZ 4.18Å; K274-F283 HydrophobicContact CG-CZ 4.06Å; R275-F283 WeakPolarHBondContact O-CE2 3.17Å; R275-F283 WeakPolarHBondContact O-CZ 3.16Å; W276-F283 HydrophobicContact CD2-CB 4.45Å; W276-F283 HydrophobicContact CD2-CD1 4.27Å; W276-F283 HydrophobicContact CD2-CD2 4.32Å; W276-F283 HydrophobicContact CD2-CG 4.09Å; W276-F283 HydrophobicContact CE3-CB 4.12Å; W276-F283 AromaticContact CE3-CD1 3.47Å; W276-F283 HydrophobicContact CE3-CD1 3.47Å; W276-F283 VanDerWaalsContact CE3-CD1 3.47Å; W276-F283 HydrophobicContact CE3-CD2 4.31Å; W276-F283 AromaticContact CE3-CE1 3.96Å; W276-F283 HydrophobicContact CE3-CE1 3.96Å; W276-F283 AromaticContact CE3-CG 3.7Å; W276-F283 HydrophobicContact CE3-CG 3.7Å; W276-F283 HydrophobicContact CH2-CB 3.71Å; W276-F283 HydrophobicContact CH2-CD1 4.38Å; W276-F283 HydrophobicContact CH2-CG 4.22Å; W276-F283 HydrophobicContact CZ2-CB 4.03Å; W276-F283 HydrophobicContact CZ3-CB 3.75Å; W276-F283 AromaticContact CZ3-CD1 3.55Å; W276-F283 HydrophobicContact CZ3-CD1 3.55Å; W276-F283 HydrophobicContact CZ3-CE1 4.41Å; W276-F283 AromaticContact CZ3-CG 3.78Å; W276-F283 HydrophobicContact CZ3-CG 3.78Å; Q280-F283 HydrophobicContact CB-CD2 3.83Å; Q280-F283 HydrophobicContact CB-CE2 4.27Å; Q280-F283 PolarHBondContact O-N 3.26Å; F283-R285 PolarHBondContact O-N 2.81Å; F283-I286 HydrophobicContact CD1-CD1 4.2Å; F283-S287 WeakPolarHBondContact O-CB 3.48Å; F283-S287 PolarHBondContact O-N 2.93Å
284K68Low68.3Low126 Ų12691 Ų9155%0.54841%0.406SS..Hα-helixtrans-64.8-28.8171.1-73.1-175.3179177.60111.5Q280 R281 E282 R288Q280-K284 PolarHBondContact O-N 3.23Å; R281-K284 PolarHBondContact O-N 2.92Å; E282-K284 PolarHBondContact O-N 2.84Å; K284-R288 WeakPolarHBondContact O-CG 3.49Å; K284-R288 PolarHBondContact O-NE 3.07Å
285R66.3Low67.2Low95 Ų9594.8 Ų94.836%0.35844%0.436SS..Hα-helixtrans-79.1-51.3175.8-71.8175.2-164.7163.12.9110.9D182 R281 E282 F283 S287 R288 S289D182-R285 IonicContact OD1-CZ 3.91Å; D182-R285 IonicContact OD1-NH1 2.96Å; D182-R285 PolarHBondContact OD1-NH1 3.21Å; D182-R285 IonicContact OD2-NH1 3.68Å; R281-R285 VanDerWaalsContact O-CG 3.29Å; R281-R285 WeakPolarHBondContact O-CG 3.47Å; R281-R285 PolarHBondContact O-N 3.14Å; E282-R285 CarbonylContact O-C 3.55Å; E282-R285 WeakPolarHBondContact O-CA 3.27Å; E282-R285 WeakPolarHBondContact O-CB 3.46Å; E282-R285 PolarHBondContact O-N 2.76Å; F283-R285 PolarHBondContact O-N 2.81Å; R285-S287 VanDerWaalsContact C-N 3.31Å; R285-S287 PolarHBondContact O-N 2.71Å; R285-R288 CarbonylContact O-C 3.6Å; R285-R288 WeakPolarHBondContact O-CA 3.28Å; R285-R288 WeakPolarHBondContact O-CB 3.05Å; R285-R288 PolarHBondContact O-N 2.99Å; R285-S289 WeakPolarHBondContact O-CB 3.45Å; R285-S289 PolarHBondContact O-N 3.26Å; R285-S289 PolarHBondContact O-OG 3.17Å; R285-S289 VanDerWaalsContact O-OG 3.1Å
286I65.8Low66.2Low8 Ų894.9 Ų94.94%0.04144%0.44CS..Hα-helixtrans-50.1-50.3174.6-67.7172.7000111I185 L258 E282 F283 R288 S289 I290I185-I286 HydrophobicContact CG2-CD1 3.65Å; I185-I286 HydrophobicContact CG2-CG1 3.61Å; L258-I286 HydrophobicContact CD2-CD1 3.71Å; L258-I286 HydrophobicContact CD2-CG2 4.17Å; E282-I286 HydrophobicContact CG-CD1 3.96Å; E282-I286 HydrophobicContact CG-CG1 4.43Å; E282-I286 WeakPolarHBondContact O-CG1 3.28Å; E282-I286 PolarHBondContact O-N 2.89Å; F283-I286 HydrophobicContact CD1-CD1 4.2Å; I286-R288 PolarHBondContact O-N 2.76Å; I286-S289 PolarHBondContact O-N 2.79Å; I286-I290 HydrophobicContact CG2-CD1 3.45Å; I286-I290 VanDerWaalsContact CG2-CD1 3.45Å; I286-I290 HydrophobicContact CG2-CG1 4.1Å; I286-I290 VanDerWaalsContact O-CB 3.28Å; I286-I290 WeakPolarHBondContact O-CB 3.31Å; I286-I290 VanDerWaalsContact O-CG1 3.26Å; I286-I290 WeakPolarHBondContact O-CG1 3.02Å; I286-I290 PolarHBondContact O-N 3.49Å
287S66.6Low65.5Low29 Ų2997.9 Ų97.920%0.20346%0.456CS..Hα-helixtrans-64.2-23.5179.1-176.40000113.9F283 R285 R291F283-S287 WeakPolarHBondContact O-CB 3.48Å; F283-S287 PolarHBondContact O-N 2.93Å; R285-S287 VanDerWaalsContact C-N 3.31Å; R285-S287 PolarHBondContact O-N 2.71Å; S287-R291 WeakPolarHBondContact O-CG 3.45Å
288R69.6Low64.9Low155 Ų15598.4 Ų98.459%0.58546%0.458SS*.Hα-helixtrans-87.1-41.2175.7-80.8-177-85.3168.4-6.4111.6K284 R285 I286 R291K284-R288 WeakPolarHBondContact O-CG 3.49Å; K284-R288 PolarHBondContact O-NE 3.07Å; R285-R288 CarbonylContact O-C 3.6Å; R285-R288 WeakPolarHBondContact O-CA 3.28Å; R285-R288 WeakPolarHBondContact O-CB 3.05Å; R285-R288 PolarHBondContact O-N 2.99Å; I286-R288 PolarHBondContact O-N 2.76Å; R288-R291 PolarHBondContact O-N 2.87Å
289S64.1Low64.9Low35 Ų3592 Ų9225%0.24543%0.432CS..Hα-helixtrans-71.1-41.4-179.3-56.80000111.6M186 R285 I286 R291 K292 L293M186-S289 VanDerWaalsContact CE-CB 3.42Å; M186-S289 VanDerWaalsContact SD-CB 3.55Å; R285-S289 WeakPolarHBondContact O-CB 3.45Å; R285-S289 PolarHBondContact O-N 3.26Å; R285-S289 PolarHBondContact O-OG 3.17Å; R285-S289 VanDerWaalsContact O-OG 3.1Å; I286-S289 PolarHBondContact O-N 2.79Å; S289-R291 PolarHBondContact O-N 3Å; S289-R291 VanDerWaalsContact O-N 3.17Å; S289-K292 CarbonylContact O-C 3.49Å; S289-K292 PolarHBondContact O-N 2.93Å; S289-L293 WeakPolarHBondContact O-CB 3.15Å; S289-L293 WeakPolarHBondContact O-CD1 3.32Å; S289-L293 PolarHBondContact O-N 3.37Å
290I64Low65Low23 Ų2394.5 Ų94.512%0.11843%0.426CS..THydrogen-bonded Turntrans-55.3-36.1174.8-77.3179.2000112.4L189 Y222 I286 K292L189-I290 HydrophobicContact CD1-CD1 3.75Å; L189-I290 HydrophobicContact CD1-CG1 4.02Å; L189-I290 HydrophobicContact CD2-CD1 4.08Å; L189-I290 HydrophobicContact CD2-CG1 3.4Å; L189-I290 HydrophobicContact CG-CG1 4.35Å; Y222-I290 HydrophobicContact CD1-CD1 4.1Å; Y222-I290 HydrophobicContact CD1-CG2 4.18Å; Y222-I290 HydrophobicContact CG-CD1 3.95Å; Y222-I290 WeakPolarHBondContact O-CG2 3.38Å; I286-I290 HydrophobicContact CG2-CD1 3.45Å; I286-I290 VanDerWaalsContact CG2-CD1 3.45Å; I286-I290 HydrophobicContact CG2-CG1 4.1Å; I286-I290 VanDerWaalsContact O-CB 3.28Å; I286-I290 WeakPolarHBondContact O-CB 3.31Å; I286-I290 VanDerWaalsContact O-CG1 3.26Å; I286-I290 WeakPolarHBondContact O-CG1 3.02Å; I286-I290 PolarHBondContact O-N 3.49Å; I290-K292 PolarHBondContact O-N 3.25Å
291R63.2Low64.8Low210 Ų21096.7 Ų96.779%0.79244%0.435SS*.THydrogen-bonded Turntrans-74.1-15.4178.8-67.9-179.9179.4-168-0.7113.6S287 R288 S289S287-R291 WeakPolarHBondContact O-CG 3.45Å; R288-R291 PolarHBondContact O-N 2.87Å; S289-R291 PolarHBondContact O-N 3Å; S289-R291 VanDerWaalsContact O-N 3.17Å
292K62.5Low64.8Low185 Ų18589.8 Ų89.880%0.80441%0.414SS*.THydrogen-bonded Turntrans-114.8-16.4-175.7-67.2-173.5177-169.30113.3S289 I290S289-K292 CarbonylContact O-C 3.49Å; S289-K292 PolarHBondContact O-N 2.93Å; I290-K292 PolarHBondContact O-N 3.25Å
293L63.5Low64.9Low60 Ų6095 Ų9531%0.31444%0.438SS..  trans-77128-179.6-106.891.8000110.7M186 L189 S289M186-L293 HydrophobicContact CB-CD2 4.4Å; M186-L293 HydrophobicContact CG-CD1 4.41Å; M186-L293 HydrophobicContact SD-CD1 3.35Å; M186-L293 WeakPolarHBondContact SD-CD1 3.42Å; M186-L293 HydrophobicContact SD-CD2 4.02Å; M186-L293 HydrophobicContact SD-CG 4.34Å; L189-L293 HydrophobicContact CD2-CD2 4.3Å; S289-L293 WeakPolarHBondContact O-CB 3.15Å; S289-L293 WeakPolarHBondContact O-CD1 3.32Å; S289-L293 PolarHBondContact O-N 3.37Å
294Q59.5Low64.7Low191 Ų191102.7 Ų102.789%0.89347%0.473SS*.  trans-100.5105.6151.3-73-173.1-25.500106.7
295C63.6Low64.4Low115 Ų115100.5 Ų100.578%0.77747%0.466SS*.  trans-80.10145.7-41.50000105.6C190C190-C295 WeakPolarHBondContact CA-SG 3.47Å; C190-C295 HydrophobicContact CB-CB 3.86Å; C190-C295 WeakPolarHBondContact CB-SG 3.32Å; C190-C295 WeakPolarHBondContact SG-CB 3.29Å; C190-C295 CovalentContact SG-SG 2.06Å; C190-C295 PolarHBondContact SG-SG 3.48Å

Retrieved 295 of 295 residues in 632.2 ms (Link to these results)