A0A087X5W0_POEFO Loading...

TAFA chemokine like family member 3

AlphaFold DB , UniProt , Accession A0A087X5W0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 131 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1L60.1Low74.9Confident187 Ų187114.4 Ų114.498%0.97962%0.615SS**  0-47.20-133.577000112.6L5L1-L5 PolarHBondContact O-N 2.91Å; L1-L5 VanDerWaalsContact O-N 3.17Å
2S72.4Confident75.9Confident90 Ų90115.9 Ų115.963%0.62961%0.612SS**Hα-helixtrans-63.5-44-177.751.50000115L5 L6S2-L5 WeakPolarHBondContact O-CB 3.41Å; S2-L5 PolarHBondContact O-N 3.19Å; S2-L6 PolarHBondContact O-N 2.98Å
3Q73.9Confident76.4Confident155 Ų155117.2 Ų117.272%0.72462%0.615SS**Hα-helixtrans-67.1-39.9179.5-82.9174.7-20.700113.6L5 L6 Q7Q3-L5 VanDerWaalsContact C-N 3.32Å; Q3-L6 PolarHBondContact O-N 2.7Å; Q3-Q7 WeakPolarHBondContact O-CG 3.48Å; Q3-Q7 PolarHBondContact O-N 3.39Å
4L73.8Confident77.3Confident114 Ų114115.2 Ų115.260%0.59761%0.61SS**Hα-helixtrans-65.7-37.1174.9-72166.3000111.2Q7 V8L4-Q7 PolarHBondContact O-N 2.75Å; L4-V8 WeakPolarHBondContact O-CB 3.03Å; L4-V8 VanDerWaalsContact O-CG2 3.24Å; L4-V8 WeakPolarHBondContact O-CG2 3.44Å; L4-V8 PolarHBondContact O-N 3.47Å
5L74.3Confident77.8Confident114 Ų114119.7 Ų119.760%0.59762%0.615SS**Hα-helixtrans-62.9-44.1174.9-147.596.4000111.3L1 S2 Q3 V8 L9L1-L5 PolarHBondContact O-N 2.91Å; L1-L5 VanDerWaalsContact O-N 3.17Å; S2-L5 WeakPolarHBondContact O-CB 3.41Å; S2-L5 PolarHBondContact O-N 3.19Å; Q3-L5 VanDerWaalsContact C-N 3.32Å; L5-V8 PolarHBondContact O-N 2.9Å; L5-L9 HydrophobicContact CD2-CD1 4.26Å; L5-L9 WeakPolarHBondContact O-CB 3.24Å; L5-L9 WeakPolarHBondContact O-CG 3.04Å; L5-L9 PolarHBondContact O-N 3.12Å
6L74.3Confident78.3Confident119 Ų119117.9 Ų117.962%0.62361%0.607SS**Hα-helixtrans-62.2-40.9176.1-91.1143.3000112.7S2 Q3 L9 S10S2-L6 PolarHBondContact O-N 2.98Å; Q3-L6 PolarHBondContact O-N 2.7Å; L6-L9 PolarHBondContact O-N 2.95Å; L6-S10 PolarHBondContact O-N 3.17Å; L6-S10 PolarHBondContact O-OG 3.34Å
7Q75.4Confident78.7Confident120 Ų120120.1 Ų120.156%0.56161%0.607SS**Hα-helixtrans-68.3-39.1175.9-72.7-174.7-44.100112.8Q3 L4 L9 S10 L11Q3-Q7 WeakPolarHBondContact O-CG 3.48Å; Q3-Q7 PolarHBondContact O-N 3.39Å; L4-Q7 PolarHBondContact O-N 2.75Å; Q7-L9 VanDerWaalsContact C-N 3.35Å; Q7-S10 PolarHBondContact O-N 2.97Å; Q7-S10 PolarHBondContact O-OG 3.03Å; Q7-L11 VanDerWaalsContact O-CG 3.31Å; Q7-L11 WeakPolarHBondContact O-CG 3.5Å; Q7-L11 PolarHBondContact O-N 3.49Å; Q7-L11 VanDerWaalsContact O-N 3.11Å
8V78.4Confident79.1Confident77 Ų77117.4 Ų117.447%0.46760%0.597SS.*Hα-helixtrans-68-37.9176172.60000110.9L4 L5 K12L4-V8 WeakPolarHBondContact O-CB 3.03Å; L4-V8 VanDerWaalsContact O-CG2 3.24Å; L4-V8 WeakPolarHBondContact O-CG2 3.44Å; L4-V8 PolarHBondContact O-N 3.47Å; L5-V8 PolarHBondContact O-N 2.9Å; V8-K12 HydrophobicContact CG1-CD 4.45Å; V8-K12 WeakPolarHBondContact O-CG 3.31Å; V8-K12 PolarHBondContact O-N 3.11Å; V8-K12 VanDerWaalsContact O-N 3.08Å
9L78.8Confident79.1Confident97 Ų97113.9 Ų113.951%0.50858%0.584SS.*Hα-helixtrans-66.7-42.4176-72.2170.6000111.9L5 L6 Q7 K12 M13L5-L9 HydrophobicContact CD2-CD1 4.26Å; L5-L9 WeakPolarHBondContact O-CB 3.24Å; L5-L9 WeakPolarHBondContact O-CG 3.04Å; L5-L9 PolarHBondContact O-N 3.12Å; L6-L9 PolarHBondContact O-N 2.95Å; Q7-L9 VanDerWaalsContact C-N 3.35Å; L9-K12 PolarHBondContact O-N 2.96Å; L9-M13 VanDerWaalsContact O-CG 3.23Å; L9-M13 WeakPolarHBondContact O-CG 3.4Å; L9-M13 PolarHBondContact O-N 2.91Å
10S81Confident79.1Confident62 Ų62114 Ų11443%0.43459%0.585SS.*Hα-helixtrans-64.7-42177.766.40000112.1L6 Q7 K12 M13 V14L6-S10 PolarHBondContact O-N 3.17Å; L6-S10 PolarHBondContact O-OG 3.34Å; Q7-S10 PolarHBondContact O-N 2.97Å; Q7-S10 PolarHBondContact O-OG 3.03Å; S10-K12 PolarHBondContact O-N 2.05Å; S10-M13 PolarHBondContact O-N 2.81Å; S10-V14 WeakPolarHBondContact O-CG2 3.46Å; S10-V14 PolarHBondContact O-N 2.9Å
11L82.1Confident79Confident123 Ų123115.2 Ų115.264%0.64458%0.582SS**Hα-helixtrans-63-40.5176-71.9171.4000112.3Q7 V14 W15Q7-L11 VanDerWaalsContact O-CG 3.31Å; Q7-L11 WeakPolarHBondContact O-CG 3.5Å; Q7-L11 PolarHBondContact O-N 3.49Å; Q7-L11 VanDerWaalsContact O-N 3.11Å; L11-V14 PolarHBondContact O-N 2.96Å; L11-W15 WeakPolarHBondContact O-CB 3.5Å; L11-W15 PolarHBondContact O-N 2.92Å
12K86.1Confident79.4Confident133 Ų133111.4 Ų111.458%0.57856%0.559SS**Hα-helixtrans-63.9-41.1174.7-77-176176.9-170.80112.2V8 L9 S10 W15 L16V8-K12 HydrophobicContact CG1-CD 4.45Å; V8-K12 WeakPolarHBondContact O-CG 3.31Å; V8-K12 PolarHBondContact O-N 3.11Å; V8-K12 VanDerWaalsContact O-N 3.08Å; L9-K12 PolarHBondContact O-N 2.96Å; S10-K12 PolarHBondContact O-N 2.05Å; K12-W15 PolarHBondContact O-N 3.14Å; K12-L16 WeakPolarHBondContact O-CB 3.24Å; K12-L16 VanDerWaalsContact O-CG 3.26Å; K12-L16 WeakPolarHBondContact O-CG 3.41Å; K12-L16 PolarHBondContact O-N 2.78Å
13M82.4Confident79.3Confident132 Ų132109.4 Ų109.465%0.6555%0.548SS*.Hα-helixtrans-65.9-41.4177.9-69.8-66.2-72.600111.9L9 S10 L16 Y17L9-M13 VanDerWaalsContact O-CG 3.23Å; L9-M13 WeakPolarHBondContact O-CG 3.4Å; L9-M13 PolarHBondContact O-N 2.91Å; S10-M13 PolarHBondContact O-N 2.81Å; M13-L16 PolarHBondContact O-N 3.03Å; M13-Y17 WeakPolarHBondContact O-CB 3.38Å; M13-Y17 PolarHBondContact O-N 3.38Å
14V88.6Confident79.1Confident90 Ų90111.3 Ų111.355%0.54555%0.549SS..Hα-helixtrans-62.8-44.8174.6172.30000110.6S10 L11 Y17 V18S10-V14 WeakPolarHBondContact O-CG2 3.46Å; S10-V14 PolarHBondContact O-N 2.9Å; L11-V14 PolarHBondContact O-N 2.96Å; V14-Y17 PolarHBondContact O-N 2.87Å; V14-V18 WeakPolarHBondContact O-CG2 3.18Å; V14-V18 PolarHBondContact O-N 2.9Å
15W85.4Confident78.6Confident182 Ų182109.8 Ų109.869%0.68954%0.541SS*.Hα-helixtrans-63-44.2178.5-162.378.7000112.1L11 K12 Y17 V18 C19L11-W15 WeakPolarHBondContact O-CB 3.5Å; L11-W15 PolarHBondContact O-N 2.92Å; K12-W15 PolarHBondContact O-N 3.14Å; W15-Y17 VanDerWaalsContact C-N 3.32Å; W15-Y17 PolarHBondContact O-N 3.44Å; W15-V18 PolarHBondContact O-N 2.92Å; W15-C19 PolarHBondContact O-N 2.93Å; W15-C19 PolarHBondContact O-SG 3.07Å
16L86.1Confident77.9Confident92 Ų92107.8 Ų107.848%0.48254%0.536SS..Hα-helixtrans-59.5-42.3173.8-73.4170.5000111.9K12 M13 C19 L20K12-L16 WeakPolarHBondContact O-CB 3.24Å; K12-L16 VanDerWaalsContact O-CG 3.26Å; K12-L16 WeakPolarHBondContact O-CG 3.41Å; K12-L16 PolarHBondContact O-N 2.78Å; M13-L16 PolarHBondContact O-N 3.03Å; L16-C19 PolarHBondContact O-N 3.27Å; L16-L20 WeakPolarHBondContact O-CB 3.47Å; L16-L20 WeakPolarHBondContact O-CG 3.19Å; L16-L20 PolarHBondContact O-N 3.33Å
17Y85Confident77.2Confident154 Ų154106.6 Ų106.660%0.60453%0.53SS*.Hα-helixtrans-63.1-43.6178-171.6-96000112M13 V14 W15 L20 W21M13-Y17 WeakPolarHBondContact O-CB 3.38Å; M13-Y17 PolarHBondContact O-N 3.38Å; V14-Y17 PolarHBondContact O-N 2.87Å; W15-Y17 VanDerWaalsContact C-N 3.32Å; W15-Y17 PolarHBondContact O-N 3.44Å; Y17-L20 PolarHBondContact O-N 2.92Å; Y17-W21 WeakPolarHBondContact O-CB 3.44Å; Y17-W21 PolarHBondContact O-N 3.04Å
18V84.9Confident76.4Confident72 Ų72103.8 Ų103.844%0.43653%0.527SS..Hα-helixtrans-63.6-46.7175.7173.60000111V14 W15 L20 W21 E22V14-V18 WeakPolarHBondContact O-CG2 3.18Å; V14-V18 PolarHBondContact O-N 2.9Å; W15-V18 PolarHBondContact O-N 2.92Å; V18-L20 VanDerWaalsContact C-N 3.32Å; V18-L20 PolarHBondContact O-N 2.89Å; V18-W21 WeakPolarHBondContact O-CB 3.37Å; V18-W21 PolarHBondContact O-N 2.8Å; V18-W21 VanDerWaalsContact O-N 3.14Å; V18-E22 HydrophobicContact CG1-CG 4.43Å; V18-E22 WeakPolarHBondContact O-CG 3.27Å; V18-E22 PolarHBondContact O-N 3.18Å
19C80.4Confident75.4Confident51 Ų51105.3 Ų105.335%0.34553%0.533SS..Hα-helixtrans-60.6-40.4177.4-68.80000112.6W15 L16 W21 A23W15-C19 PolarHBondContact O-N 2.93Å; W15-C19 PolarHBondContact O-SG 3.07Å; L16-C19 PolarHBondContact O-N 3.27Å; C19-W21 VanDerWaalsContact C-N 3.33Å; C19-A23 VanDerWaalsContact O-CB 3.27Å; C19-A23 WeakPolarHBondContact O-CB 3.23Å; C19-A23 PolarHBondContact O-N 3.01Å
20L78.7Confident74.4Confident115 Ų115104.8 Ų104.860%0.60253%0.533SS*.Hα-helixtrans-66.9-34.7176.4-72.7170000112.2L16 Y17 V18 R24L16-L20 WeakPolarHBondContact O-CB 3.47Å; L16-L20 WeakPolarHBondContact O-CG 3.19Å; L16-L20 PolarHBondContact O-N 3.33Å; Y17-L20 PolarHBondContact O-N 2.92Å; V18-L20 VanDerWaalsContact C-N 3.32Å; V18-L20 PolarHBondContact O-N 2.89Å; L20-R24 PolarHBondContact O-N 3.37Å; L20-R24 VanDerWaalsContact O-N 3.08Å
21W76.9Confident73.1Confident141 Ų141109.8 Ų109.853%0.53454%0.544SS..Hα-helixtrans-68.4-48.6176.5-172.9-90.3000112.1Y17 V18 C19 A23 R24 L25Y17-W21 WeakPolarHBondContact O-CB 3.44Å; Y17-W21 PolarHBondContact O-N 3.04Å; V18-W21 WeakPolarHBondContact O-CB 3.37Å; V18-W21 PolarHBondContact O-N 2.8Å; V18-W21 VanDerWaalsContact O-N 3.14Å; C19-W21 VanDerWaalsContact C-N 3.33Å; W21-A23 VanDerWaalsContact C-N 3.33Å; W21-A23 PolarHBondContact O-N 3.43Å; W21-R24 WeakPolarHBondContact O-CB 3.41Å; W21-R24 PolarHBondContact O-N 3.47Å; W21-R24 VanDerWaalsContact O-N 3.15Å; W21-L25 HydrophobicContact CG-CD1 4.45Å; W21-L25 VanDerWaalsContact NE1-CD1 3.33Å; W21-L25 PolarHBondContact O-N 2.95Å
22E68.5Low71.6Confident107 Ų107110.2 Ų110.250%0.554%0.543SS..Hα-helixtrans-62.7-39.1177-67.4-56.3137.200112.1V18 R24 L25 S26V18-E22 HydrophobicContact CG1-CG 4.43Å; V18-E22 WeakPolarHBondContact O-CG 3.27Å; V18-E22 PolarHBondContact O-N 3.18Å; E22-R24 PolarHBondContact O-N 2.99Å; E22-L25 PolarHBondContact O-N 3.25Å; E22-S26 WeakPolarHBondContact O-CB 3.39Å; E22-S26 PolarHBondContact O-N 3.38Å; E22-S26 PolarHBondContact O-OG 2.92Å
23A69.8Low69.9Low48 Ų48111.8 Ų111.840%0.39755%0.546SS..Hα-helixtrans-64.1-38.5174.200000112.2C19 W21 S26 L27C19-A23 VanDerWaalsContact O-CB 3.27Å; C19-A23 WeakPolarHBondContact O-CB 3.23Å; C19-A23 PolarHBondContact O-N 3.01Å; W21-A23 VanDerWaalsContact C-N 3.33Å; W21-A23 PolarHBondContact O-N 3.43Å; A23-S26 PolarHBondContact O-N 2.96Å; A23-L27 WeakPolarHBondContact O-CB 3.35Å; A23-L27 WeakPolarHBondContact O-CG 3.32Å; A23-L27 PolarHBondContact O-N 2.97Å
24R70.6Confident68.3Low194 Ų194108.4 Ų108.473%0.73254%0.535SS*.Hα-helixtrans-64.4-43.1174.1-85.9-169-179.3-119.14.1112.5L20 W21 E22 S26 L27 A28L20-R24 PolarHBondContact O-N 3.37Å; L20-R24 VanDerWaalsContact O-N 3.08Å; W21-R24 WeakPolarHBondContact O-CB 3.41Å; W21-R24 PolarHBondContact O-N 3.47Å; W21-R24 VanDerWaalsContact O-N 3.15Å; E22-R24 PolarHBondContact O-N 2.99Å; R24-S26 VanDerWaalsContact C-N 3.31Å; R24-S26 PolarHBondContact O-N 3.44Å; R24-L27 PolarHBondContact O-N 3.35Å; R24-A28 WeakPolarHBondContact O-CB 3.26Å; R24-A28 PolarHBondContact O-N 3.08Å
25L62Low66.4Low82 Ų82110.4 Ų110.443%0.42954%0.542SS..Hα-helixtrans-61.7-41.8176.1-102.194.1000111.7W21 E22 A28 N29W21-L25 HydrophobicContact CG-CD1 4.45Å; W21-L25 VanDerWaalsContact NE1-CD1 3.33Å; W21-L25 PolarHBondContact O-N 2.95Å; E22-L25 PolarHBondContact O-N 3.25Å; L25-A28 PolarHBondContact O-N 3.47Å; L25-N29 PolarHBondContact O-N 3.3Å; L25-N29 VanDerWaalsContact O-N 3.08Å
26S60.6Low64.8Low72 Ų72105.3 Ų105.350%0.50353%0.531SS..Hα-helixtrans-64.7-45.8179.1-590000111.4E22 A23 R24 N29 V30E22-S26 WeakPolarHBondContact O-CB 3.39Å; E22-S26 PolarHBondContact O-N 3.38Å; E22-S26 PolarHBondContact O-OG 2.92Å; A23-S26 PolarHBondContact O-N 2.96Å; R24-S26 VanDerWaalsContact C-N 3.31Å; R24-S26 PolarHBondContact O-N 3.44Å; S26-N29 PolarHBondContact O-N 2.92Å; S26-V30 WeakPolarHBondContact O-CG2 3.45Å; S26-V30 PolarHBondContact O-N 2.98Å
27L59.7Low63.1Low95 Ų95105.6 Ų105.650%0.49754%0.536SS..Hα-helixtrans-62.8-44.3175.6-74167.3000111.6A23 R24 N29 V30 Y31A23-L27 WeakPolarHBondContact O-CB 3.35Å; A23-L27 WeakPolarHBondContact O-CG 3.32Å; A23-L27 PolarHBondContact O-N 2.97Å; R24-L27 PolarHBondContact O-N 3.35Å; L27-N29 VanDerWaalsContact C-N 3.31Å; L27-N29 PolarHBondContact O-N 3.41Å; L27-V30 PolarHBondContact O-N 3.29Å; L27-V30 VanDerWaalsContact O-N 3.16Å; L27-Y31 HydrophobicContact CB-CD2 4.29Å; L27-Y31 HydrophobicContact CB-CE2 4.22Å; L27-Y31 HydrophobicContact CD2-CE2 4.32Å; L27-Y31 WeakPolarHBondContact O-CD2 3.27Å; L27-Y31 PolarHBondContact O-N 3.45Å
28A59.5Low61Low60 Ų60106.5 Ų106.550%0.49655%0.546SS..Hα-helixtrans-58.8-40.6177.800000112.5R24 L25 Y31 H32R24-A28 WeakPolarHBondContact O-CB 3.26Å; R24-A28 PolarHBondContact O-N 3.08Å; L25-A28 PolarHBondContact O-N 3.47Å; A28-Y31 PolarHBondContact O-N 3.23Å; A28-H32 VanDerWaalsContact O-CB 3.32Å; A28-H32 WeakPolarHBondContact O-CB 3.38Å; A28-H32 PolarHBondContact O-N 2.97Å
29N57.4Low59.2Low109 Ų109106.6 Ų106.658%0.58355%0.546SS*.Hα-helixtrans-66-41.9174.4-96.6-55000112.8L25 S26 L27 H32 Y33L25-N29 PolarHBondContact O-N 3.3Å; L25-N29 VanDerWaalsContact O-N 3.08Å; S26-N29 PolarHBondContact O-N 2.92Å; L27-N29 VanDerWaalsContact C-N 3.31Å; L27-N29 PolarHBondContact O-N 3.41Å; N29-H32 PolarHBondContact O-N 3.37Å; N29-Y33 WeakPolarHBondContact O-CB 3.47Å; N29-Y33 PolarHBondContact O-N 3.14Å
30V56.8Low57.7Low86 Ų86112.8 Ų112.852%0.52157%0.568SS.*Hα-helixtrans-65.4-41.4176.5173.90000111S26 L27 Y33 S34S26-V30 WeakPolarHBondContact O-CG2 3.45Å; S26-V30 PolarHBondContact O-N 2.98Å; L27-V30 PolarHBondContact O-N 3.29Å; L27-V30 VanDerWaalsContact O-N 3.16Å; V30-Y33 PolarHBondContact O-N 3.42Å; V30-S34 VanDerWaalsContact O-CB 3.24Å; V30-S34 WeakPolarHBondContact O-CB 3.02Å; V30-S34 PolarHBondContact O-N 2.9Å; V30-S34 PolarHBondContact O-OG 2.86Å
31Y52.8Low56.6Low167 Ų167110.6 Ų110.666%0.65557%0.566SS**Hα-helixtrans-65.7-39.3174.6-78.7-68.8000111.8L27 A28 S34 L35L27-Y31 HydrophobicContact CB-CD2 4.29Å; L27-Y31 HydrophobicContact CB-CE2 4.22Å; L27-Y31 HydrophobicContact CD2-CE2 4.32Å; L27-Y31 WeakPolarHBondContact O-CD2 3.27Å; L27-Y31 PolarHBondContact O-N 3.45Å; A28-Y31 PolarHBondContact O-N 3.23Å; Y31-S34 PolarHBondContact O-N 3.39Å; Y31-L35 VanDerWaalsContact O-CB 3.28Å; Y31-L35 WeakPolarHBondContact O-CB 3.46Å; Y31-L35 PolarHBondContact O-N 3.11Å
32H52.3Low56.1Low133 Ų133104.3 Ų104.362%0.61655%0.545SS*.Hα-helixtrans-64.9-43.5175.8-165.4-101.8000111.8A28 N29 T36A28-H32 VanDerWaalsContact O-CB 3.32Å; A28-H32 WeakPolarHBondContact O-CB 3.38Å; A28-H32 PolarHBondContact O-N 2.97Å; N29-H32 PolarHBondContact O-N 3.37Å; H32-T36 WeakPolarHBondContact O-CG2 3.11Å; H32-T36 PolarHBondContact O-N 3.49Å; H32-T36 PolarHBondContact O-OG1 3.14Å
33Y49.8Very low56.6Low166 Ų166104.2 Ų104.265%0.65155%0.552SS**Hα-helixtrans-65.6-35.7173.3174.2-98.5000112.8N29 V30 T36 V37N29-Y33 WeakPolarHBondContact O-CB 3.47Å; N29-Y33 PolarHBondContact O-N 3.14Å; V30-Y33 PolarHBondContact O-N 3.42Å; Y33-T36 PolarHBondContact O-OG1 3.08Å; Y33-V37 VanDerWaalsContact O-CG2 3.31Å; Y33-V37 WeakPolarHBondContact O-CG2 3.43Å
34S48.4Very low57.4Low60 Ų60103.5 Ų103.542%0.4254%0.543SS..Hα-helixtrans-78.8-32.1-177.3-56.90000112.5V30 Y31 V37V30-S34 VanDerWaalsContact O-CB 3.24Å; V30-S34 WeakPolarHBondContact O-CB 3.02Å; V30-S34 PolarHBondContact O-N 2.9Å; V30-S34 PolarHBondContact O-OG 2.86Å; Y31-S34 PolarHBondContact O-N 3.39Å; S34-V37 PolarHBondContact O-N 3.37Å
35L49.5Very low58.1Low132 Ų13299.6 Ų99.669%0.69153%0.534SS*.Hα-helixtrans-73-32.8177.3-169.770.1000112.1Y31 V37 H38Y31-L35 VanDerWaalsContact O-CB 3.28Å; Y31-L35 WeakPolarHBondContact O-CB 3.46Å; Y31-L35 PolarHBondContact O-N 3.11Å; L35-V37 PolarHBondContact O-N 2.79Å; L35-H38 PolarHBondContact O-N 3.08Å
36T51Low59.2Low76 Ų7698.8 Ų98.847%0.46653%0.532SS..Hα-helixtrans-67.9-22.7174.3500000112.9H32 Y33 H38H32-T36 WeakPolarHBondContact O-CG2 3.11Å; H32-T36 PolarHBondContact O-N 3.49Å; H32-T36 PolarHBondContact O-OG1 3.14Å; Y33-T36 PolarHBondContact O-OG1 3.08Å; T36-H38 VanDerWaalsContact C-N 3.31Å; T36-H38 PolarHBondContact O-N 3.28Å
37V50.3Low60.5Low97 Ų97100 Ų10059%0.58853%0.532SS*.THydrogen-bonded Turntrans-78.3-12.8178175.90000112.8Y33 S34 L35Y33-V37 VanDerWaalsContact O-CG2 3.31Å; Y33-V37 WeakPolarHBondContact O-CG2 3.43Å; S34-V37 PolarHBondContact O-N 3.37Å; L35-V37 PolarHBondContact O-N 2.79Å
38H41.9Very low61.6Low174 Ų17497.8 Ų97.881%0.80653%0.527SS*.THydrogen-bonded Turntrans-119.123.7-177.8-121.173.3000114.8L35 T36 K40L35-H38 PolarHBondContact O-N 3.08Å; T36-H38 VanDerWaalsContact C-N 3.31Å; T36-H38 PolarHBondContact O-N 3.28Å; H38-K40 PolarHBondContact O-N 3.38Å
39V46.8Very low62.8Low73 Ų7398.3 Ų98.344%0.44253%0.531SS..SBendtrans-80.6114.6166-1790000107.8A41 F70V39-A41 PolarHBondContact O-N 2.98Å; V39-F70 HydrophobicContact CG1-CD2 4.2Å
40K48.1Very low64.2Low182 Ų18298.4 Ų98.479%0.79153%0.528SS*.  trans-39.4111.7172.2-155.9170.3-171.8172.70108.5H38 G42 F70H38-K40 PolarHBondContact O-N 3.38Å; K40-G42 PolarHBondContact O-N 3.03Å; K40-F70 WeakPolarHBondContact O-CD2 3.2Å; K40-F70 WeakPolarHBondContact O-CE2 3.37Å
41A56.8Low65.3Low68 Ų68102.2 Ų102.256%0.56253%0.533SS*.PPolyproline II helixtrans-56.1135.8-176.400000109.3V39V39-A41 PolarHBondContact O-N 2.98Å
42G65.2Low66.6Low10 Ų1096.7 Ų96.710%0.10352%0.518CS..PPolyproline II helixtrans-54.6154.7172.100000111.6K40 C44 S68 C84K40-G42 PolarHBondContact O-N 3.03Å; G42-C44 PolarHBondContact O-N 2.85Å; G42-S68 CarbonylContact C-O 3.55Å; G42-S68 WeakPolarHBondContact CA-O 3.39Å; G42-C84 VanDerWaalsContact CA-SG 3.51Å
43T79.9Confident67.9Low105 Ų10595.4 Ų95.464%0.64452%0.523SS*.EExtended strand (participates in β ladder)trans-80.3123.8-176.552.50000110.2C67 S68T43-C67 CarbonylContact O-C 3.53Å; T43-C67 WeakPolarHBondContact O-CA 3.26Å; T43-S68 PolarHBondContact N-O 3.04Å; T43-S68 PolarHBondContact O-N 3.36Å
44C86Confident69.2Low32 Ų3292 Ų9222%0.21652%0.516CS..EExtended strand (participates in β ladder)trans-116.5127.1170.3-70.90000110.2G42 V65 K66 C67 P82 S83G42-C44 PolarHBondContact O-N 2.85Å; C44-V65 HydrophobicContact CB-CG1 4.26Å; C44-K66 CarbonylContact C-O 3.55Å; C44-K66 WeakPolarHBondContact CA-O 3.29Å; C44-C67 HydrophobicContact CB-CB 4.19Å; C44-C67 WeakPolarHBondContact CB-SG 3.36Å; C44-C67 WeakPolarHBondContact SG-CB 3.38Å; C44-C67 CovalentContact SG-SG 2.05Å; C44-C67 PolarHBondContact SG-SG 3.03Å; C44-P82 HydrophobicContact CB-CB 3.91Å; C44-P82 HydrophobicContact CB-CG 4.34Å; C44-S83 VanDerWaalsContact SG-C 3.51Å
45E85.1Confident70.2Confident113 Ų11399 Ų9953%0.52854%0.539SS..EExtended strand (participates in β ladder)trans-123.8139.7178.861.8180-17700110.9I47 V65 K66E45-I47 HydrophobicContact CG-CG2 3.89Å; E45-I47 PolarHBondContact O-N 2.03Å; E45-V65 CarbonylContact O-C 3.56Å; E45-V65 WeakPolarHBondContact O-CA 3.48Å; E45-K66 HydrophobicContact CG-CB 4.02Å; E45-K66 PolarHBondContact N-O 3.32Å; E45-K66 PolarHBondContact O-N 3.43Å
46V84.8Confident71.4Confident64 Ų6498.6 Ų98.639%0.38854%0.537SS..EExtended strand (participates in β ladder)trans-82107.9172.7-179.10000107.5A48 A49 Q63 T64 V65 P82V46-A48 WeakPolarHBondContact CG1-O 3.39Å; V46-A49 HydrophobicContact CG1-CB 4.25Å; V46-Q63 HydrophobicContact CG1-CB 4.16Å; V46-Q63 HydrophobicContact CG1-CG 4.36Å; V46-T64 CarbonylContact C-O 3.36Å; V46-V65 HydrophobicContact CG2-CG2 4.24Å; V46-P82 HydrophobicContact CG2-CG 3.99Å
47I87.4Confident72.1Confident99 Ų99104.5 Ų104.551%0.50856%0.557SS.*EExtended strand (participates in β ladder)trans-88.9-21.7-17759.7168.3000113E45 T64 K66E45-I47 HydrophobicContact CG-CG2 3.89Å; E45-I47 PolarHBondContact O-N 2.03Å; I47-T64 HydrophobicContact CD1-CG2 3.74Å; I47-T64 HydrophobicContact CG1-CG2 3.75Å; I47-T64 WeakPolarHBondContact CG1-O 3.48Å; I47-T64 PolarHBondContact N-O 3.08Å; I47-K66 HydrophobicContact CD1-CB 4.38Å; I47-K66 HydrophobicContact CG2-CB 3.7Å; I47-K66 HydrophobicContact CG2-CD 4.5Å
48A84.4Confident72.9Confident48 Ų48104.6 Ų104.640%0.39755%0.553SS.*EExtended strand (participates in β ladder)trans-149145.8172.400000109.9V46 Q63 T64V46-A48 WeakPolarHBondContact CG1-O 3.39Å; A48-Q63 CarbonylContact O-C 3.55Å; A48-Q63 WeakPolarHBondContact O-CA 3.01Å; A48-T64 PolarHBondContact N-O 3.48Å; A48-T64 PolarHBondContact O-N 3.02Å
49A84.6Confident74.4Confident70 Ų70102.5 Ų102.558%0.57954%0.544SS*.EExtended strand (participates in β ladder)trans-140.3128.2173.300000109.1V46 S62 Q63V46-A49 HydrophobicContact CG1-CB 4.25Å; A49-S62 WeakPolarHBondContact CA-O 3.11Å; A49-Q63 HydrophobicContact CB-CG 4.19Å
50H85.3Confident75.7Confident112 Ų112105.1 Ų105.152%0.51955%0.551SS.*EExtended strand (participates in β ladder)trans-123.8137.3174.7-166.5-81.2000109C52 S62H50-C52 PolarHBondContact CE1-SG 3.31Å; H50-C52 PolarHBondContact ND1-SG 2.71Å; H50-S62 WeakPolarHBondContact CB-OG 3.38Å; H50-S62 PolarHBondContact N-O 2.93Å; H50-S62 PolarHBondContact O-N 3.41Å; H50-S62 VanDerWaalsContact O-O 3.14Å; H50-S62 PolarHBondContact O-OG 2.99Å
51R81.8Confident76.8Confident166 Ų166103.3 Ų103.363%0.62654%0.539SS*.EExtended strand (participates in β ladder)trans-117112.5176.9-71.9-177.9179.1173.7-1.2107.8
52C78.9Confident77.9Confident50 Ų50102.8 Ų102.834%0.33853%0.531SS..EExtended strand (participates in β ladder)trans-103.5140.2172.7-71.40000109.2H50 E60H50-C52 PolarHBondContact CE1-SG 3.31Å; H50-C52 PolarHBondContact ND1-SG 2.71Å; C52-E60 HydrophobicContact CB-CB 4.2Å; C52-E60 PolarHBondContact N-O 2.94Å; C52-E60 PolarHBondContact O-N 3.07Å
53C79.4Confident78.6Confident107 Ų107105.8 Ų105.872%0.72354%0.543SS*.EExtended strand (participates in β ladder)trans-116.2120.5167.8-64.70000108.4
54N76.8Confident78.8Confident95 Ų95104.6 Ų104.651%0.50854%0.535SS..  trans-84.2156.8171.6-166.7-5.1000110.4N56 K57 I58N54-N56 PolarHBondContact O-N 3.04Å; N54-K57 PolarHBondContact O-N 2.97Å; N54-I58 HydrophobicContact CB-CB 4.48Å; N54-I58 PolarHBondContact N-O 2.85Å; N54-I58 VanDerWaalsContact N-O 3.07Å
55K70.4Confident78.7Confident206 Ų206105.7 Ų105.790%0.89654%0.541SS*.THydrogen-bonded Turntrans-53.2-25.1177.7-68.9-1781791770113.4K57K55-K57 PolarHBondContact O-N 3.33Å
56N74.1Confident78.8Confident123 Ų123105.8 Ų105.866%0.65854%0.539SS*.THydrogen-bonded Turntrans-80.213.1175.9-64.3-19.2000114.3N54 I58N54-N56 PolarHBondContact O-N 3.04Å; N56-I58 HydrophobicContact CB-CD1 4.11Å; N56-I58 HydrophobicContact CB-CG1 4.11Å; N56-I58 PolarHBondContact O-N 3.49Å
57K64.9Low79Confident200 Ų200104.4 Ų104.487%0.8753%0.533SS*.  trans56.125.9-173.3-56.8-177.2-179.9179.80113.9N54 K55 E59N54-K57 PolarHBondContact O-N 2.97Å; K55-K57 PolarHBondContact O-N 3.33Å; K57-E59 PolarHBondContact O-N 3.42Å
58I68Low79.1Confident100 Ų100103.2 Ų103.251%0.51353%0.533SS..  trans-82.9111.3170.2-58.4173.5000106.2N54 N56N54-I58 HydrophobicContact CB-CB 4.48Å; N54-I58 PolarHBondContact N-O 2.85Å; N54-I58 VanDerWaalsContact N-O 3.07Å; N56-I58 HydrophobicContact CB-CD1 4.11Å; N56-I58 HydrophobicContact CB-CG1 4.11Å; N56-I58 PolarHBondContact O-N 3.49Å
59E72.6Confident79.3Confident130 Ų130102.8 Ų102.861%0.60753%0.527SS*.EExtended strand (participates in β ladder)trans-82.3110.4172.4-171.4-179.517300108.1K57K57-E59 PolarHBondContact O-N 3.42Å
60E75.1Confident79.5Confident127 Ų127104.4 Ų104.459%0.59352%0.521SS*.EExtended strand (participates in β ladder)trans-99.8115.7175.5-176.3175.4-166.500108.8C52C52-E60 HydrophobicContact CB-CB 4.2Å; C52-E60 PolarHBondContact N-O 2.94Å; C52-E60 PolarHBondContact O-N 3.07Å
61R72.3Confident79.8Confident145 Ų145105.4 Ų105.455%0.54754%0.537SS..EExtended strand (participates in β ladder)trans-107.7103.9178.8-174.4178.3-177.9177.4-1.4108.8Q63R61-Q63 HydrophobicContact CG-CG 4.25Å
62S78.2Confident80.1Confident57 Ų57100 Ų10040%0.39953%0.534SS..EExtended strand (participates in β ladder)trans-96.3132.2171.752.80000109.6A49 H50A49-S62 WeakPolarHBondContact CA-O 3.11Å; H50-S62 WeakPolarHBondContact CB-OG 3.38Å; H50-S62 PolarHBondContact N-O 2.93Å; H50-S62 PolarHBondContact O-N 3.41Å; H50-S62 VanDerWaalsContact O-O 3.14Å; H50-S62 PolarHBondContact O-OG 2.99Å
63Q81.4Confident80.7Confident73 Ų7399.9 Ų99.934%0.34153%0.528SS..EExtended strand (participates in β ladder)trans-131.3130.7176.9-65.5-173.2-51.100108.2V46 A48 A49 R61 V65V46-Q63 HydrophobicContact CG1-CB 4.16Å; V46-Q63 HydrophobicContact CG1-CG 4.36Å; A48-Q63 CarbonylContact O-C 3.55Å; A48-Q63 WeakPolarHBondContact O-CA 3.01Å; A49-Q63 HydrophobicContact CB-CG 4.19Å; R61-Q63 HydrophobicContact CG-CG 4.25Å; Q63-V65 HydrophobicContact CB-CG2 4.5Å
64T82.7Confident81.2Confident79 Ų7997.2 Ų97.249%0.48551%0.508SS..EExtended strand (participates in β ladder)trans-95.8125.1168.9-49.70000107.5V46 I47 A48V46-T64 CarbonylContact C-O 3.36Å; I47-T64 HydrophobicContact CD1-CG2 3.74Å; I47-T64 HydrophobicContact CG1-CG2 3.75Å; I47-T64 WeakPolarHBondContact CG1-O 3.48Å; I47-T64 PolarHBondContact N-O 3.08Å; A48-T64 PolarHBondContact N-O 3.48Å; A48-T64 PolarHBondContact O-N 3.02Å
65V85.1Confident81.9Confident56 Ų5695.7 Ų95.734%0.33951%0.509SS..EExtended strand (participates in β ladder)trans-119.1134.6-174.5177.60000109.1C44 E45 V46 Q63 P82C44-V65 HydrophobicContact CB-CG1 4.26Å; E45-V65 CarbonylContact O-C 3.56Å; E45-V65 WeakPolarHBondContact O-CA 3.48Å; V46-V65 HydrophobicContact CG2-CG2 4.24Å; Q63-V65 HydrophobicContact CB-CG2 4.5Å; V65-P82 HydrophobicContact CB-CB 4.28Å; V65-P82 HydrophobicContact CG1-CB 3.37Å; V65-P82 HydrophobicContact CG1-CG 3.92Å; V65-P82 HydrophobicContact CG2-CB 3.95Å; V65-P82 HydrophobicContact CG2-CG 4.1Å
66K86.6Confident83Confident114 Ų11486.5 Ų86.550%0.49647%0.472SS..EExtended strand (participates in β ladder)trans-106.3123.6168.8-175177.4178-172.90108.8C44 E45 I47C44-K66 CarbonylContact C-O 3.55Å; C44-K66 WeakPolarHBondContact CA-O 3.29Å; E45-K66 HydrophobicContact CG-CB 4.02Å; E45-K66 PolarHBondContact N-O 3.32Å; E45-K66 PolarHBondContact O-N 3.43Å; I47-K66 HydrophobicContact CD1-CB 4.38Å; I47-K66 HydrophobicContact CG2-CB 3.7Å; I47-K66 HydrophobicContact CG2-CD 4.5Å
67C88.7Confident83.8Confident36 Ų3682.3 Ų82.324%0.24345%0.451CS..EExtended strand (participates in β ladder)trans-119.6140177.6-71.30000110.8T43 C44 A75T43-C67 CarbonylContact O-C 3.53Å; T43-C67 WeakPolarHBondContact O-CA 3.26Å; C44-C67 HydrophobicContact CB-CB 4.19Å; C44-C67 WeakPolarHBondContact CB-SG 3.36Å; C44-C67 WeakPolarHBondContact SG-CB 3.38Å; C44-C67 CovalentContact SG-SG 2.05Å; C44-C67 PolarHBondContact SG-SG 3.03Å; C67-A75 HydrophobicContact CB-CB 3.98Å
68S89.3Confident85.1Confident73 Ų7374.9 Ų74.951%0.5142%0.423SS..EExtended strand (participates in β ladder)trans-116.888.1169.9-61.80000108.4G42 T43G42-S68 CarbonylContact C-O 3.55Å; G42-S68 WeakPolarHBondContact CA-O 3.39Å; T43-S68 PolarHBondContact N-O 3.04Å; T43-S68 PolarHBondContact O-N 3.36Å
69C89.8Confident86.2Confident40 Ų4077.7 Ų77.727%0.2743%0.427SS..PPolyproline II helixtrans-93.2150.5-177-58.20000112.1Q73 C84C69-Q73 HydrophobicContact CB-CB 3.83Å; C69-C84 WeakPolarHBondContact CA-SG 3.4Å; C69-C84 HydrophobicContact CB-CB 3.79Å; C69-C84 WeakPolarHBondContact CB-SG 3.41Å; C69-C84 WeakPolarHBondContact SG-CB 3.42Å; C69-C84 CovalentContact SG-SG 2.04Å; C69-C84 PolarHBondContact SG-SG 3.43Å
70F89Confident87Confident104 Ų10474.4 Ų74.446%0.45642%0.422SS..PPolyproline II helixtrans-73.2161.8175.6-71.9-76.9000111.7V39 K40 G72 Q73V39-F70 HydrophobicContact CG1-CD2 4.2Å; K40-F70 WeakPolarHBondContact O-CD2 3.2Å; K40-F70 WeakPolarHBondContact O-CE2 3.37Å; F70-G72 PolarHBondContact O-N 2.94Å; F70-Q73 WeakPolarHBondContact O-CB 3.27Å; F70-Q73 PolarHBondContact O-N 3.45Å
71P89.8Confident87.7Confident132 Ų13274.6 Ų74.686%0.85743%0.425SS*.THydrogen-bonded Turntrans-52.4132.6173.3-26.335.3000111.9Q73P71-Q73 VanDerWaalsContact C-N 3.34Å
72G88.9Confident88.5Confident54 Ų5468.9 Ų68.956%0.55741%0.406SS*.THydrogen-bonded Turntrans87.6-5.3-17400000114.8F70 A87F70-G72 PolarHBondContact O-N 2.94Å; G72-A87 VanDerWaalsContact O-CB 3.31Å; G72-A87 WeakPolarHBondContact O-CB 3.44Å; G72-A87 PolarHBondContact O-N 3.27Å
73Q91.3Very high89.1Confident46 Ų4667.1 Ų67.122%0.21539%0.394CS..EExtended strand (participates in β ladder)trans-112.9154.7175-64.2-177.8-25.500112.2C69 F70 P71 C84 V85C69-Q73 HydrophobicContact CB-CB 3.83Å; F70-Q73 WeakPolarHBondContact O-CB 3.27Å; F70-Q73 PolarHBondContact O-N 3.45Å; P71-Q73 VanDerWaalsContact C-N 3.34Å; Q73-C84 HydrophobicContact CB-CB 4.27Å; Q73-V85 CarbonylContact C-O 3.47Å; Q73-V85 WeakPolarHBondContact CA-O 3.17Å; Q73-V85 WeakPolarHBondContact CB-O 3.43Å
74V91.3Very high89.6Confident52 Ų5264.2 Ų64.232%0.31538%0.381SS..EExtended strand (participates in β ladder)trans-135.7164174.9-62.30000110.5G76 C84 V85 A87 V90V74-G76 PolarHBondContact O-N 3.49Å; V74-C84 WeakPolarHBondContact O-CA 3.37Å; V74-V85 HydrophobicContact CG2-CG2 4.26Å; V74-V85 PolarHBondContact N-O 3.34Å; V74-V85 PolarHBondContact O-N 2.89Å; V74-A87 HydrophobicContact CG1-CB 3.93Å; V74-V90 HydrophobicContact CG2-CB 4.02Å; V74-V90 HydrophobicContact CG2-CG2 3.54Å
75A91.4Very high90.1Very high62 Ų6261 Ų6151%0.51236%0.361SS..EExtended strand (participates in β ladder)trans-62132.3173.300000110.4C67C67-A75 HydrophobicContact CB-CB 3.98Å
76G92.2Very high90.5Very high13 Ų1362 Ų6213%0.13437%0.365CS..EExtended strand (participates in β ladder)trans-149.7-161.7177.200000110.8V74 S83V74-G76 PolarHBondContact O-N 3.49Å; G76-S83 CarbonylContact C-O 3.56Å; G76-S83 WeakPolarHBondContact CA-O 3.38Å; G76-S83 PolarHBondContact N-O 3.15Å; G76-S83 PolarHBondContact O-N 3.37Å; G76-S83 VanDerWaalsContact O-O 3.12Å
77T91.1Very high90.7Very high35 Ų3558.1 Ų58.122%0.21536%0.355CS..EExtended strand (participates in β ladder)trans-138.1128.1-177.7-590000110M81 M98 P100 W116T77-M81 WeakPolarHBondContact CA-O 3.45Å; T77-M98 PolarHBondContact N-SD 3.33Å; T77-M98 VanDerWaalsContact N-SD 3.43Å; T77-M98 VanDerWaalsContact O-CG 3.31Å; T77-M98 WeakPolarHBondContact O-CG 3.2Å; T77-P100 HydrophobicContact CG2-CB 4.27Å; T77-P100 WeakPolarHBondContact O-CA 3.35Å; T77-W116 HydrophobicContact CG2-CZ2 4.32Å
78T92.1Very high90.9Very high45 Ų4558.4 Ų58.428%0.27636%0.357SS..EExtended strand (participates in β ladder)trans-127.6126.6174.9-52.70000107.7A80 M81 S83T78-A80 PolarHBondContact O-N 3.43Å; T78-M81 PolarHBondContact N-O 2.98Å; T78-M81 WeakPolarHBondContact O-CB 3.48Å; T78-M81 PolarHBondContact O-N 3.05Å; T78-S83 WeakPolarHBondContact CB-OG 3.49Å; T78-S83 PolarHBondContact N-OG 3.08Å; T78-S83 VanDerWaalsContact N-OG 3.14Å; T78-S83 PolarHBondContact OG1-OG 3.35Å
79R92.5Very high91.1Very high158 Ų15855.8 Ų55.860%0.59634%0.337SS*.THydrogen-bonded Turntrans47.854-178.4-64.2-172.8-71.3-165.6-4.2113.4M81 Q99 M102R79-M81 PolarHBondContact O-N 3.16Å; R79-Q99 PolarHBondContact N-O 2.9Å; R79-M102 HydrophobicContact CB-SD 4.44Å
80A89.1Confident91.2Very high61 Ų6156 Ų5650%0.50434%0.337SS..THydrogen-bonded Turntrans55.318.7-179.400000115.5T78 P100 M102T78-A80 PolarHBondContact O-N 3.43Å; A80-P100 PolarHBondContact N-O 3.41Å; A80-M102 HydrophobicContact CB-CG 4.01Å; A80-M102 HydrophobicContact CB-SD 4.04Å
81M88.4Confident91.3Very high132 Ų13254.7 Ų54.765%0.6535%0.345SS*.EExtended strand (participates in β ladder)trans-118.9141.5178-170.210092.500109.3T77 T78 R79T77-M81 WeakPolarHBondContact CA-O 3.45Å; T78-M81 PolarHBondContact N-O 2.98Å; T78-M81 WeakPolarHBondContact O-CB 3.48Å; T78-M81 PolarHBondContact O-N 3.05Å; R79-M81 PolarHBondContact O-N 3.16Å
82P90.3Very high91.5Very high25 Ų2553 Ų5316%0.16233%0.326CS..EExtended strand (participates in β ladder)trans-61.8138.3170.926.7-36.6000111.8C44 V46 V65C44-P82 HydrophobicContact CB-CB 3.91Å; C44-P82 HydrophobicContact CB-CG 4.34Å; V46-P82 HydrophobicContact CG2-CG 3.99Å; V65-P82 HydrophobicContact CB-CB 4.28Å; V65-P82 HydrophobicContact CG1-CB 3.37Å; V65-P82 HydrophobicContact CG1-CG 3.92Å; V65-P82 HydrophobicContact CG2-CB 3.95Å; V65-P82 HydrophobicContact CG2-CG 4.1Å
83S91Very high91.7Very high20 Ų2054.9 Ų54.914%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-154.6156.5-175.158.40000111.2C44 G76 T78C44-S83 VanDerWaalsContact SG-C 3.51Å; G76-S83 CarbonylContact C-O 3.56Å; G76-S83 WeakPolarHBondContact CA-O 3.38Å; G76-S83 PolarHBondContact N-O 3.15Å; G76-S83 PolarHBondContact O-N 3.37Å; G76-S83 VanDerWaalsContact O-O 3.12Å; T78-S83 WeakPolarHBondContact CB-OG 3.49Å; T78-S83 PolarHBondContact N-OG 3.08Å; T78-S83 VanDerWaalsContact N-OG 3.14Å; T78-S83 PolarHBondContact OG1-OG 3.35Å
84C91.7Very high91.9Very high11 Ų1158.2 Ų58.27%0.07433%0.329CS..EExtended strand (participates in β ladder)trans-81.6127.9166.3-65.50000110.3G42 C69 Q73 V74G42-C84 VanDerWaalsContact CA-SG 3.51Å; C69-C84 WeakPolarHBondContact CA-SG 3.4Å; C69-C84 HydrophobicContact CB-CB 3.79Å; C69-C84 WeakPolarHBondContact CB-SG 3.41Å; C69-C84 WeakPolarHBondContact SG-CB 3.42Å; C69-C84 CovalentContact SG-SG 2.04Å; C69-C84 PolarHBondContact SG-SG 3.43Å; Q73-C84 HydrophobicContact CB-CB 4.27Å; V74-C84 WeakPolarHBondContact O-CA 3.37Å
85V92.5Very high92.1Very high11 Ų1156.3 Ų56.37%0.06732%0.317CS..EExtended strand (participates in β ladder)trans-124.5164.3179.9-57.80000109.7Q73 V74 A87 I89 V90 M98Q73-V85 CarbonylContact C-O 3.47Å; Q73-V85 WeakPolarHBondContact CA-O 3.17Å; Q73-V85 WeakPolarHBondContact CB-O 3.43Å; V74-V85 HydrophobicContact CG2-CG2 4.26Å; V74-V85 PolarHBondContact N-O 3.34Å; V74-V85 PolarHBondContact O-N 2.89Å; V85-A87 PolarHBondContact O-N 3.38Å; V85-I89 HydrophobicContact CB-CD1 4.43Å; V85-V90 HydrophobicContact CG2-CG2 4.29Å; V85-M98 HydrophobicContact CB-CB 4.48Å; V85-M98 HydrophobicContact CG1-CB 3.94Å; V85-M98 HydrophobicContact CG2-CE 4.3Å
86D92.9Very high92.3Very high77 Ų7755.3 Ų55.341%0.41231%0.305SS..EExtended strand (participates in β ladder)trans-60.5133.5176.4-168.2-65.7000111.1S88 I89D86-S88 VanDerWaalsContact CG-OG 3.31Å; D86-S88 PolarHBondContact O-N 2.88Å; D86-S88 WeakPolarHBondContact OD1-CB 3.44Å; D86-S88 PolarHBondContact OD1-N 2.94Å; D86-S88 PolarHBondContact OD1-OG 3.43Å; D86-I89 HydrophobicContact CB-CD1 4.22Å; D86-I89 HydrophobicContact CB-CG1 4.27Å; D86-I89 WeakPolarHBondContact O-CB 3.31Å; D86-I89 PolarHBondContact O-N 2.99Å; D86-I89 VanDerWaalsContact O-N 3.08Å
87A92.1Very high92.5Very high34 Ų3460.3 Ų60.328%0.28133%0.325SS..Hα-helixtrans-57.9-30.4-179.500000113.3G72 V74 V85 I89 V90 A91G72-A87 VanDerWaalsContact O-CB 3.31Å; G72-A87 WeakPolarHBondContact O-CB 3.44Å; G72-A87 PolarHBondContact O-N 3.27Å; V74-A87 HydrophobicContact CG1-CB 3.93Å; V85-A87 PolarHBondContact O-N 3.38Å; A87-I89 VanDerWaalsContact C-N 3.27Å; A87-I89 PolarHBondContact O-N 3.43Å; A87-V90 PolarHBondContact O-N 2.81Å; A87-A91 WeakPolarHBondContact O-CB 3.34Å; A87-A91 PolarHBondContact O-N 3.35Å
88S93.3Very high92.6Very high42 Ų4259.1 Ų59.129%0.29432%0.317SS..Hα-helixtrans-60.4-35.7176.8630000112.3D86 V90 A91 Q92D86-S88 VanDerWaalsContact CG-OG 3.31Å; D86-S88 PolarHBondContact O-N 2.88Å; D86-S88 WeakPolarHBondContact OD1-CB 3.44Å; D86-S88 PolarHBondContact OD1-N 2.94Å; D86-S88 PolarHBondContact OD1-OG 3.43Å; S88-V90 VanDerWaalsContact C-N 3.33Å; S88-V90 PolarHBondContact O-N 2.54Å; S88-A91 PolarHBondContact O-N 2.79Å; S88-Q92 VanDerWaalsContact O-CB 3.26Å; S88-Q92 WeakPolarHBondContact O-CB 3.44Å; S88-Q92 WeakPolarHBondContact O-CG 3.46Å; S88-Q92 PolarHBondContact O-N 3.2Å
89I92.6Very high92.7Very high18 Ų1863.6 Ų63.69%0.09234%0.335CS..Hα-helixtrans-61.4-44.4-179.6-63.3175.5000110.5V85 D86 A87 K93 W94 M98V85-I89 HydrophobicContact CB-CD1 4.43Å; D86-I89 HydrophobicContact CB-CD1 4.22Å; D86-I89 HydrophobicContact CB-CG1 4.27Å; D86-I89 WeakPolarHBondContact O-CB 3.31Å; D86-I89 PolarHBondContact O-N 2.99Å; D86-I89 VanDerWaalsContact O-N 3.08Å; A87-I89 VanDerWaalsContact C-N 3.27Å; A87-I89 PolarHBondContact O-N 3.43Å; I89-K93 CarbonylContact O-C 3.5Å; I89-K93 WeakPolarHBondContact O-CA 3.05Å; I89-K93 PolarHBondContact O-N 2.98Å; I89-W94 HydrophobicContact CG2-CB 4.27Å; I89-W94 VanDerWaalsContact CG2-O 3.29Å; I89-W94 WeakPolarHBondContact CG2-O 3.24Å; I89-W94 PolarHBondContact O-N 3.2Å; I89-M98 HydrophobicContact CD1-CB 4.29Å; I89-M98 HydrophobicContact CG2-CB 4.21Å; I89-M98 HydrophobicContact CG2-CE 3.6Å; I89-M98 HydrophobicContact CG2-CG 4.46Å
90V91.1Very high92.9Very high45 Ų4556.2 Ų56.227%0.27331%0.308SS..Hα-helixtrans-75.6-39.4178.8179.30000110.9V74 V85 A87 S88 Q92 K93 W95 M98V74-V90 HydrophobicContact CG2-CB 4.02Å; V74-V90 HydrophobicContact CG2-CG2 3.54Å; V85-V90 HydrophobicContact CG2-CG2 4.29Å; A87-V90 PolarHBondContact O-N 2.81Å; S88-V90 VanDerWaalsContact C-N 3.33Å; S88-V90 PolarHBondContact O-N 2.54Å; V90-Q92 PolarHBondContact O-N 3.38Å; V90-K93 PolarHBondContact O-N 2.87Å; V90-W95 HydrophobicContact CB-CZ3 4.29Å; V90-W95 HydrophobicContact CG1-CH2 4.03Å; V90-W95 HydrophobicContact CG1-CZ3 3.96Å; V90-W95 HydrophobicContact CG2-CZ3 4.21Å; V90-M98 HydrophobicContact CG2-CE 4.26Å
91A91.9Very high93.2Very high75 Ų7553.9 Ų53.962%0.6229%0.287SS*.Hα-helixtrans-64.1-40.917900000112.5A87 S88 K93A87-A91 WeakPolarHBondContact O-CB 3.34Å; A87-A91 PolarHBondContact O-N 3.35Å; S88-A91 PolarHBondContact O-N 2.79Å; A91-K93 VanDerWaalsContact C-N 3.34Å
92Q93.6Very high93.5Very high97 Ų9752.3 Ų52.345%0.45328%0.279SS..THydrogen-bonded Turntrans-91.20179.8-61.1178-66.400112.7S88 V90 W94S88-Q92 VanDerWaalsContact O-CB 3.26Å; S88-Q92 WeakPolarHBondContact O-CB 3.44Å; S88-Q92 WeakPolarHBondContact O-CG 3.46Å; S88-Q92 PolarHBondContact O-N 3.2Å; V90-Q92 PolarHBondContact O-N 3.38Å; Q92-W94 HydrophobicContact CB-CD2 3.75Å; Q92-W94 HydrophobicContact CB-CE3 4.3Å; Q92-W94 HydrophobicContact CB-CG 3.98Å; Q92-W94 HydrophobicContact CB-CZ2 4.17Å; Q92-W94 VanDerWaalsContact CD-CH2 3.5Å; Q92-W94 HydrophobicContact CG-CZ2 4.43Å; Q92-W94 VanDerWaalsContact O-CD1 3.25Å; Q92-W94 PolarHBondContact O-N 3.13Å
93K94.2Very high93.7Very high93 Ų9359.5 Ų59.540%0.40431%0.311SS..THydrogen-bonded Turntrans59.433.5177.9-49.7-177.7-178-176.20112.6I89 V90 A91 W95 L113I89-K93 CarbonylContact O-C 3.5Å; I89-K93 WeakPolarHBondContact O-CA 3.05Å; I89-K93 PolarHBondContact O-N 2.98Å; V90-K93 PolarHBondContact O-N 2.87Å; A91-K93 VanDerWaalsContact C-N 3.34Å; K93-W95 HydrophobicContact CB-CZ2 3.83Å; K93-W95 HydrophobicContact CG-CZ2 3.89Å; K93-W95 PolarHBondContact O-N 3.5Å; K93-W95 PolarHBondContact O-NE1 2.84Å; K93-L113 HydrophobicContact CB-CB 4.4Å; K93-L113 HydrophobicContact CD-CB 3.49Å; K93-L113 VanDerWaalsContact CD-CB 3.49Å; K93-L113 HydrophobicContact CD-CD1 4.11Å; K93-L113 HydrophobicContact CD-CG 4.43Å; K93-L113 WeakPolarHBondContact CD-O 3.32Å
94W95.3Very high93.7Very high116 Ų11662 Ų6244%0.43934%0.34SS..  trans-82.251.9178.2-65.9-14.7000111.3I89 Q92 C96 Q97I89-W94 HydrophobicContact CG2-CB 4.27Å; I89-W94 VanDerWaalsContact CG2-O 3.29Å; I89-W94 WeakPolarHBondContact CG2-O 3.24Å; I89-W94 PolarHBondContact O-N 3.2Å; Q92-W94 HydrophobicContact CB-CD2 3.75Å; Q92-W94 HydrophobicContact CB-CE3 4.3Å; Q92-W94 HydrophobicContact CB-CG 3.98Å; Q92-W94 HydrophobicContact CB-CZ2 4.17Å; Q92-W94 VanDerWaalsContact CD-CH2 3.5Å; Q92-W94 HydrophobicContact CG-CZ2 4.43Å; Q92-W94 VanDerWaalsContact O-CD1 3.25Å; Q92-W94 PolarHBondContact O-N 3.13Å; W94-C96 PolarHBondContact O-N 2.9Å; W94-Q97 HydrophobicContact CB-CB 4.07Å; W94-Q97 VanDerWaalsContact O-CB 3.27Å; W94-Q97 WeakPolarHBondContact O-CB 3.42Å; W94-Q97 PolarHBondContact O-N 3.23Å
95W95.3Very high94Very high13 Ų1363 Ų635%0.04934%0.343CS..THydrogen-bonded Turntrans-55.3-32.6-167-48.3113.2000114.7V90 K93 Q97 M98 P100 V109 L113 W116 V129V90-W95 HydrophobicContact CB-CZ3 4.29Å; V90-W95 HydrophobicContact CG1-CH2 4.03Å; V90-W95 HydrophobicContact CG1-CZ3 3.96Å; V90-W95 HydrophobicContact CG2-CZ3 4.21Å; K93-W95 HydrophobicContact CB-CZ2 3.83Å; K93-W95 HydrophobicContact CG-CZ2 3.89Å; K93-W95 PolarHBondContact O-N 3.5Å; K93-W95 PolarHBondContact O-NE1 2.84Å; W95-Q97 VanDerWaalsContact C-N 3.34Å; W95-M98 HydrophobicContact CE3-CE 3.95Å; W95-M98 WeakPolarHBondContact O-CG 3.42Å; W95-P100 WeakPolarHBondContact O-CD 3.38Å; W95-V109 HydrophobicContact CB-CG2 4.25Å; W95-L113 WeakPolarHBondContact CZ2-O 3.28Å; W95-L113 PolarHBondContact NE1-O 2.7Å; W95-W116 HydrophobicContact CB-CB 3.9Å; W95-W116 HydrophobicContact CB-CD2 4.34Å; W95-W116 HydrophobicContact CB-CE3 3.87Å; W95-W116 HydrophobicContact CB-CG 4.39Å; W95-W116 HydrophobicContact CD2-CE3 4.23Å; W95-W116 HydrophobicContact CE3-CE3 4.16Å; W95-W116 HydrophobicContact CE3-CZ3 4.09Å; W95-W116 HydrophobicContact CG-CE3 4.13Å; W95-V129 HydrophobicContact CH2-CB 4.42Å; W95-V129 HydrophobicContact CH2-CG2 4.24Å; W95-V129 HydrophobicContact CZ3-CG2 4.09Å
96C96.1Very high94.2Very high40 Ų4067.5 Ų67.527%0.2736%0.364SS..THydrogen-bonded Turntrans-80-14.4178.5-68.90000114.1W94 M98 Q99 C107W94-C96 PolarHBondContact O-N 2.9Å; C96-M98 VanDerWaalsContact C-N 3.33Å; C96-Q99 PolarHBondContact O-N 2.84Å; C96-Q99 VanDerWaalsContact O-N 3.11Å; C96-C107 WeakPolarHBondContact CA-SG 3.06Å; C96-C107 HydrophobicContact CB-CB 3.85Å; C96-C107 WeakPolarHBondContact CB-SG 3.31Å; C96-C107 WeakPolarHBondContact SG-CB 3.43Å; C96-C107 CovalentContact SG-SG 2.05Å; C96-C107 PolarHBondContact SG-SG 3.45Å
97Q95.1Very high94.4Very high118 Ų11865.6 Ų65.655%0.55136%0.356SS*.THydrogen-bonded Turntrans-72.2-26.9178.3-171169.8-13.400112.6W94 W95 Q99W94-Q97 HydrophobicContact CB-CB 4.07Å; W94-Q97 VanDerWaalsContact O-CB 3.27Å; W94-Q97 WeakPolarHBondContact O-CB 3.42Å; W94-Q97 PolarHBondContact O-N 3.23Å; W95-Q97 VanDerWaalsContact C-N 3.34Å; Q97-Q99 PolarHBondContact O-N 2.87Å
98M93.3Very high94.6Very high10 Ų1068.6 Ų68.65%0.04936%0.363CS..THydrogen-bonded Turntrans-74-0.5170.362.7176.283.100113.6T77 V85 I89 V90 W95 C96 P100T77-M98 PolarHBondContact N-SD 3.33Å; T77-M98 VanDerWaalsContact N-SD 3.43Å; T77-M98 VanDerWaalsContact O-CG 3.31Å; T77-M98 WeakPolarHBondContact O-CG 3.2Å; V85-M98 HydrophobicContact CB-CB 4.48Å; V85-M98 HydrophobicContact CG1-CB 3.94Å; V85-M98 HydrophobicContact CG2-CE 4.3Å; I89-M98 HydrophobicContact CD1-CB 4.29Å; I89-M98 HydrophobicContact CG2-CB 4.21Å; I89-M98 HydrophobicContact CG2-CE 3.6Å; I89-M98 HydrophobicContact CG2-CG 4.46Å; V90-M98 HydrophobicContact CG2-CE 4.26Å; W95-M98 HydrophobicContact CE3-CE 3.95Å; W95-M98 WeakPolarHBondContact O-CG 3.42Å; C96-M98 VanDerWaalsContact C-N 3.33Å; M98-P100 HydrophobicContact CG-CB 4.26Å; M98-P100 HydrophobicContact CG-CG 4.4Å
99Q95.8Very high94.8Very high140 Ų14069.4 Ų69.465%0.65437%0.366SS*.  trans51.660.7-177.8-58.2-180-45.400112.6R79 C96 Q97 C101R79-Q99 PolarHBondContact N-O 2.9Å; C96-Q99 PolarHBondContact O-N 2.84Å; C96-Q99 VanDerWaalsContact O-N 3.11Å; Q97-Q99 PolarHBondContact O-N 2.87Å; Q99-C101 VanDerWaalsContact C-N 3.3Å; Q99-C101 PolarHBondContact O-N 3.33Å
100P95.3Very high95Very high3 Ų369.6 Ų69.62%0.01937%0.367CS..  trans-76.6-17.5-171.432.7-36.7000113.5T77 A80 W95 M98 W116T77-P100 HydrophobicContact CG2-CB 4.27Å; T77-P100 WeakPolarHBondContact O-CA 3.35Å; A80-P100 PolarHBondContact N-O 3.41Å; W95-P100 WeakPolarHBondContact O-CD 3.38Å; M98-P100 HydrophobicContact CG-CB 4.26Å; M98-P100 HydrophobicContact CG-CG 4.4Å; P100-W116 HydrophobicContact CB-CD2 4.35Å; P100-W116 HydrophobicContact CB-CZ2 4Å; P100-W116 HydrophobicContact CG-CD2 4.19Å; P100-W116 HydrophobicContact CG-CG 3.94Å
101C95.9Very high95.2Very high12 Ų1273.8 Ų73.88%0.08140%0.395CS..SBendtrans-88.4160.6-176.7-52.80000112.5Q99 E105 C107 C118Q99-C101 VanDerWaalsContact C-N 3.3Å; Q99-C101 PolarHBondContact O-N 3.33Å; C101-E105 HydrophobicContact CB-CB 3.74Å; C101-C107 VanDerWaalsContact SG-CB 3.53Å; C101-C118 WeakPolarHBondContact CA-SG 3.36Å; C101-C118 HydrophobicContact CB-CB 3.71Å; C101-C118 WeakPolarHBondContact CB-SG 3.31Å; C101-C118 WeakPolarHBondContact SG-CA 3.44Å; C101-C118 WeakPolarHBondContact SG-CB 3.44Å; C101-C118 CovalentContact SG-SG 2.03Å; C101-C118 PolarHBondContact SG-SG 2.83Å
102M94.8Very high95.3Very high98 Ų9874 Ų7448%0.48339%0.386SS..PPolyproline II helixtrans-74.5165.4173.7-66.9-71.2-80.200111.2R79 A80 G104 E105R79-M102 HydrophobicContact CB-SD 4.44Å; A80-M102 HydrophobicContact CB-CG 4.01Å; A80-M102 HydrophobicContact CB-SD 4.04Å; M102-G104 PolarHBondContact O-N 2.89Å; M102-E105 HydrophobicContact CB-CG 4.3Å; M102-E105 PolarHBondContact N-OE2 3.37Å; M102-E105 WeakPolarHBondContact O-CB 3.43Å; M102-E105 PolarHBondContact O-N 2.77Å; M102-E105 VanDerWaalsContact O-N 3.08Å
103E93.3Very high95.4Very high176 Ų17673.2 Ų73.282%0.82238%0.384SS*.THydrogen-bonded Turntrans-58.1134.1171.3-71.4178.8-169.800110.7E105E103-E105 VanDerWaalsContact C-N 3.29Å; E103-E105 PolarHBondContact O-N 3.14Å
104G92.6Very high95.4Very high72 Ų7271 Ų7174%0.74238%0.379SS*.THydrogen-bonded Turntrans82.4-2.5-175.900000115.1M102 T120M102-G104 PolarHBondContact O-N 2.89Å; G104-T120 PolarHBondContact O-OG1 2.92Å; G104-T120 VanDerWaalsContact O-OG1 3.14Å
105E96.6Very high95.4Very high33 Ų3365.5 Ų65.515%0.15436%0.358CS..PPolyproline II helixtrans-93.9139.3169.5-66.9-178.8156.600111C101 M102 E103 C118 S119 K125C101-E105 HydrophobicContact CB-CB 3.74Å; M102-E105 HydrophobicContact CB-CG 4.3Å; M102-E105 PolarHBondContact N-OE2 3.37Å; M102-E105 WeakPolarHBondContact O-CB 3.43Å; M102-E105 PolarHBondContact O-N 2.77Å; M102-E105 VanDerWaalsContact O-N 3.08Å; E103-E105 VanDerWaalsContact C-N 3.29Å; E103-E105 PolarHBondContact O-N 3.14Å; E105-C118 HydrophobicContact CB-CB 4.3Å; E105-C118 WeakPolarHBondContact OE2-CB 3.33Å; E105-S119 WeakPolarHBondContact CA-O 3.43Å; E105-K125 IonicContact OE1-NZ 2.71Å; E105-K125 PolarHBondContact OE1-NZ 2.94Å
106E96.6Very high95.5Very high105 Ų10565.3 Ų65.349%0.49136%0.357SS..EExtended strand (participates in β ladder)trans-88.1126.9173.1-171.9-168.7178.600109.7K108 C118 S119E106-K108 WeakPolarHBondContact OE1-CE 3.3Å; E106-K108 IonicContact OE1-NZ 2.91Å; E106-K108 PolarHBondContact OE1-NZ 2.95Å; E106-K108 IonicContact OE2-NZ 2.75Å; E106-K108 PolarHBondContact OE2-NZ 3.41Å; E106-C118 WeakPolarHBondContact O-CA 3.36Å; E106-S119 PolarHBondContact N-O 2.82Å; E106-S119 PolarHBondContact O-N 3Å; E106-S119 PolarHBondContact O-OG 3.05Å
107C97.4Very high95.5Very high38 Ų3864.2 Ų64.226%0.25735%0.35SS..EExtended strand (participates in β ladder)trans-89.9131175.5-172.20000111.4C96 C101C96-C107 WeakPolarHBondContact CA-SG 3.06Å; C96-C107 HydrophobicContact CB-CB 3.85Å; C96-C107 WeakPolarHBondContact CB-SG 3.31Å; C96-C107 WeakPolarHBondContact SG-CB 3.43Å; C96-C107 CovalentContact SG-SG 2.05Å; C96-C107 PolarHBondContact SG-SG 3.45Å; C101-C107 VanDerWaalsContact SG-CB 3.53Å
108K97Very high95.6Very high97 Ų9759 Ų5942%0.42233%0.326SS..EExtended strand (participates in β ladder)trans-130.7134.4172.1-73.1175.4169.7133.40110.8E106 W116 S117E106-K108 WeakPolarHBondContact OE1-CE 3.3Å; E106-K108 IonicContact OE1-NZ 2.91Å; E106-K108 PolarHBondContact OE1-NZ 2.95Å; E106-K108 IonicContact OE2-NZ 2.75Å; E106-K108 PolarHBondContact OE2-NZ 3.41Å; K108-W116 CarbonylContact O-C 3.47Å; K108-W116 VanDerWaalsContact O-CA 3.24Å; K108-W116 WeakPolarHBondContact O-CA 3.09Å; K108-W116 WeakPolarHBondContact O-CB 3.04Å; K108-S117 PolarHBondContact N-O 3.26Å; K108-S117 PolarHBondContact O-N 3.35Å
109V96.9Very high95.7Very high58 Ų5859.5 Ų59.535%0.35233%0.331SS..EExtended strand (participates in β ladder)trans-73138170.91700000109.1W95 L113W95-V109 HydrophobicContact CB-CG2 4.25Å; V109-L113 HydrophobicContact CG1-CD2 3.73Å
110L96.9Very high95.8Very high22 Ų2255.8 Ų55.812%0.11532%0.318CS..  trans-66.4146.4176.3-65.2179.2000111.1D112 L113 G115 T126 K128L110-D112 VanDerWaalsContact CB-OD1 3.27Å; L110-D112 WeakPolarHBondContact CB-OD1 3.06Å; L110-D112 PolarHBondContact O-N 2.77Å; L110-L113 WeakPolarHBondContact O-CA 3.06Å; L110-L113 PolarHBondContact O-N 3.02Å; L110-G115 PolarHBondContact N-O 3.49Å; L110-T126 HydrophobicContact CD1-CG2 3.94Å; L110-T126 HydrophobicContact CD2-CG2 4.02Å; L110-K128 HydrophobicContact CD1-CG 3.88Å
111P95.2Very high95.6Very high133 Ų13359.3 Ų59.386%0.86436%0.355SS*.THydrogen-bonded Turntrans-59.6-29.9-179.3-24.733.8000114.4L113P111-L113 PolarHBondContact O-N 2.81Å
112D95.1Very high95.2Very high81 Ų8166.9 Ų66.943%0.43339%0.394SS..THydrogen-bonded Turntrans-83.1-0.1177.262.67.4000113.1L110 T114L110-D112 VanDerWaalsContact CB-OD1 3.27Å; L110-D112 WeakPolarHBondContact CB-OD1 3.06Å; L110-D112 PolarHBondContact O-N 2.77Å; D112-T114 HydrophobicContact CB-CG2 4.03Å; D112-T114 VanDerWaalsContact CG-CG2 3.46Å; D112-T114 PolarHBondContact O-N 2.85Å; D112-T114 VanDerWaalsContact O-N 3.12Å; D112-T114 WeakPolarHBondContact OD1-CB 3.33Å; D112-T114 PolarHBondContact OD1-N 3.32Å; D112-T114 PolarHBondContact OD1-OG1 3.41Å; D112-T114 PolarHBondContact OD2-OG1 3.48Å
113L94.5Very high95Very high79 Ų7969.7 Ų69.741%0.41440%0.404SS..SBendtrans57.119.4-175.8-48.5173.2000113.5K93 W95 V109 L110 P111 G115K93-L113 HydrophobicContact CB-CB 4.4Å; K93-L113 HydrophobicContact CD-CB 3.49Å; K93-L113 VanDerWaalsContact CD-CB 3.49Å; K93-L113 HydrophobicContact CD-CD1 4.11Å; K93-L113 HydrophobicContact CD-CG 4.43Å; K93-L113 WeakPolarHBondContact CD-O 3.32Å; W95-L113 WeakPolarHBondContact CZ2-O 3.28Å; W95-L113 PolarHBondContact NE1-O 2.7Å; V109-L113 HydrophobicContact CG1-CD2 3.73Å; L110-L113 WeakPolarHBondContact O-CA 3.06Å; L110-L113 PolarHBondContact O-N 3.02Å; P111-L113 PolarHBondContact O-N 2.81Å; L113-G115 VanDerWaalsContact C-N 3.29Å
114T94.9Very high94.9Very high48 Ų4865.8 Ų65.829%0.29439%0.392SS..SBendtrans-84.9-3.5-179.666.30000113.1D112 V129D112-T114 HydrophobicContact CB-CG2 4.03Å; D112-T114 VanDerWaalsContact CG-CG2 3.46Å; D112-T114 PolarHBondContact O-N 2.85Å; D112-T114 VanDerWaalsContact O-N 3.12Å; D112-T114 WeakPolarHBondContact OD1-CB 3.33Å; D112-T114 PolarHBondContact OD1-N 3.32Å; D112-T114 PolarHBondContact OD1-OG1 3.41Å; D112-T114 PolarHBondContact OD2-OG1 3.48Å; T114-V129 PolarHBondContact O-N 2.98Å
115G95.3Very high94.8Very high0 Ų068 Ų680%038%0.381CS..EExtended strand (participates in β ladder)trans168.1-148.2178.600000112.7L110 L113 T127L110-G115 PolarHBondContact N-O 3.49Å; L113-G115 VanDerWaalsContact C-N 3.29Å; G115-T127 WeakPolarHBondContact CA-O 3.36Å
116W96.7Very high94.6Very high9 Ų970.2 Ų70.23%0.03440%0.397CS..EExtended strand (participates in β ladder)trans-142167.3-174.565.796000112.3T77 W95 P100 K108 T127 V129T77-W116 HydrophobicContact CG2-CZ2 4.32Å; W95-W116 HydrophobicContact CB-CB 3.9Å; W95-W116 HydrophobicContact CB-CD2 4.34Å; W95-W116 HydrophobicContact CB-CE3 3.87Å; W95-W116 HydrophobicContact CB-CG 4.39Å; W95-W116 HydrophobicContact CD2-CE3 4.23Å; W95-W116 HydrophobicContact CE3-CE3 4.16Å; W95-W116 HydrophobicContact CE3-CZ3 4.09Å; W95-W116 HydrophobicContact CG-CE3 4.13Å; P100-W116 HydrophobicContact CB-CD2 4.35Å; P100-W116 HydrophobicContact CB-CZ2 4Å; P100-W116 HydrophobicContact CG-CD2 4.19Å; P100-W116 HydrophobicContact CG-CG 3.94Å; K108-W116 CarbonylContact O-C 3.47Å; K108-W116 VanDerWaalsContact O-CA 3.24Å; K108-W116 WeakPolarHBondContact O-CA 3.09Å; K108-W116 WeakPolarHBondContact O-CB 3.04Å; W116-T127 HydrophobicContact CH2-CG2 3.45Å; W116-T127 VanDerWaalsContact CH2-CG2 3.45Å; W116-T127 HydrophobicContact CZ2-CG2 3.42Å; W116-T127 VanDerWaalsContact CZ2-CG2 3.42Å; W116-T127 HydrophobicContact CZ3-CG2 4.02Å; W116-T127 PolarHBondContact N-O 3.35Å; W116-T127 PolarHBondContact O-N 2.04Å; W116-V129 HydrophobicContact CZ3-CG2 3.81Å
117S96.6Very high94.4Very high16 Ų1668 Ų6811%0.11239%0.39CS..EExtended strand (participates in β ladder)trans-128141.9169.1620000110.9K108 K125K108-S117 PolarHBondContact N-O 3.26Å; K108-S117 PolarHBondContact O-N 3.35Å; S117-K125 CarbonylContact C-O 3.55Å; S117-K125 WeakPolarHBondContact CA-O 3.34Å
118C97Very high94.1Very high8 Ų872.6 Ų72.65%0.05441%0.406CS..EExtended strand (participates in β ladder)trans-109.9120.6170.3-590000108.7C101 E105 E106 K125C101-C118 WeakPolarHBondContact CA-SG 3.36Å; C101-C118 HydrophobicContact CB-CB 3.71Å; C101-C118 WeakPolarHBondContact CB-SG 3.31Å; C101-C118 WeakPolarHBondContact SG-CA 3.44Å; C101-C118 WeakPolarHBondContact SG-CB 3.44Å; C101-C118 CovalentContact SG-SG 2.03Å; C101-C118 PolarHBondContact SG-SG 2.83Å; E105-C118 HydrophobicContact CB-CB 4.3Å; E105-C118 WeakPolarHBondContact OE2-CB 3.33Å; E106-C118 WeakPolarHBondContact O-CA 3.36Å; C118-K125 HydrophobicContact CB-CB 4.48Å; C118-K125 PolarHBondContact N-O 2.83Å; C118-K125 PolarHBondContact O-N 2.05Å
119S96.3Very high93.6Very high22 Ų2271.1 Ų71.115%0.15441%0.405CS..EExtended strand (participates in β ladder)trans-113.6135-179.447.50000112.3E105 E106 K123E105-S119 WeakPolarHBondContact CA-O 3.43Å; E106-S119 PolarHBondContact N-O 2.82Å; E106-S119 PolarHBondContact O-N 3Å; E106-S119 PolarHBondContact O-OG 3.05Å; S119-K123 WeakPolarHBondContact CA-O 3.11Å
120T96.1Very high92.9Very high61 Ų6174.7 Ų74.737%0.37443%0.427SS..EExtended strand (participates in β ladder)trans-135.3110.1170.4-122.70000108.7G104 N122 K123G104-T120 PolarHBondContact O-OG1 2.92Å; G104-T120 VanDerWaalsContact O-OG1 3.14Å; T120-N122 PolarHBondContact O-N 2.84Å; T120-N122 VanDerWaalsContact O-N 3.14Å; T120-K123 PolarHBondContact N-O 3.37Å; T120-K123 PolarHBondContact O-N 3.27Å
121G90.9Very high91.4Very high77 Ų7788.5 Ų88.579%0.79448%0.478SS*.THydrogen-bonded Turntrans52.3-119.4-171.200000111.6
122N89.4Confident91.2Very high172 Ų17286.3 Ų86.392%0.9246%0.459SS*.THydrogen-bonded Turntrans-89.41.2179.5-61.8-21.7000114.2T120T120-N122 PolarHBondContact O-N 2.84Å; T120-N122 VanDerWaalsContact O-N 3.14Å
123K88.9Confident91Very high156 Ų15686.6 Ų86.668%0.67846%0.46SS*.EExtended strand (participates in β ladder)trans-98.1124.4-179.8-64.2-178.7-179178.40109.4S119 T120S119-K123 WeakPolarHBondContact CA-O 3.11Å; T120-K123 PolarHBondContact N-O 3.37Å; T120-K123 PolarHBondContact O-N 3.27Å
124V91.9Very high90.8Very high95 Ų9587 Ų8758%0.57646%0.463SS*.EExtended strand (participates in β ladder)trans-120.1125.4176.2-176.70000108.9
125K91.4Very high90.5Very high118 Ų11889.3 Ų89.351%0.51347%0.473SS..EExtended strand (participates in β ladder)trans-108.3126.8172.1-61.9169.9-174160.10107.9E105 S117 C118E105-K125 IonicContact OE1-NZ 2.71Å; E105-K125 PolarHBondContact OE1-NZ 2.94Å; S117-K125 CarbonylContact C-O 3.55Å; S117-K125 WeakPolarHBondContact CA-O 3.34Å; C118-K125 HydrophobicContact CB-CB 4.48Å; C118-K125 PolarHBondContact N-O 2.83Å; C118-K125 PolarHBondContact O-N 2.05Å
126T91.9Very high90.2Very high79 Ų7994.9 Ų94.949%0.48550%0.502SS..EExtended strand (participates in β ladder)trans-116133.8-179.2-60.10000109.9L110 K128L110-T126 HydrophobicContact CD1-CG2 3.94Å; L110-T126 HydrophobicContact CD2-CG2 4.02Å; T126-K128 HydrophobicContact CG2-CG 4.35Å
127T91.6Very high89.8Confident58 Ų58100.6 Ų100.636%0.35653%0.533SS..EExtended strand (participates in β ladder)trans-119.7125.3173.2-560000108.6G115 W116G115-T127 WeakPolarHBondContact CA-O 3.36Å; W116-T127 HydrophobicContact CH2-CG2 3.45Å; W116-T127 VanDerWaalsContact CH2-CG2 3.45Å; W116-T127 HydrophobicContact CZ2-CG2 3.42Å; W116-T127 VanDerWaalsContact CZ2-CG2 3.42Å; W116-T127 HydrophobicContact CZ3-CG2 4.02Å; W116-T127 PolarHBondContact N-O 3.35Å; W116-T127 PolarHBondContact O-N 2.04Å
128K91.2Very high89.3Confident136 Ų136106.6 Ų106.659%0.59156%0.563SS**EExtended strand (participates in β ladder)trans-111.7139.2174.5-68.2-168.9175.7-165.20109.6L110 T126L110-K128 HydrophobicContact CD1-CG 3.88Å; T126-K128 HydrophobicContact CG2-CG 4.35Å
129V87.9Confident88.7Confident65 Ų65114.2 Ų114.239%0.39460%0.603SS.*  trans-103.6114.7175.6-175.70000107.8W95 T114 W116W95-V129 HydrophobicContact CH2-CB 4.42Å; W95-V129 HydrophobicContact CH2-CG2 4.24Å; W95-V129 HydrophobicContact CZ3-CG2 4.09Å; T114-V129 PolarHBondContact O-N 2.98Å; W116-V129 HydrophobicContact CZ3-CG2 3.81Å
130T81.9Confident88.1Confident134 Ų134121.9 Ų121.982%0.82264%0.64SS**  trans-93.713317052.20000108.9
131R64.1Low87.4Confident312 Ų312127.5 Ų127.5100%1.17766%0.664SS**  trans-88.60177-134.1-177-170176.32.8111.2

Retrieved 131 of 131 residues in 262.8 ms (Link to these results)