A0A087WQY6_MOUSE Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087WQY6, Species MOUSE (Mus musculus, Mouse), Gene Stk25, Length 106 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
1M55.3Low70.9Confident173 Ų17390 Ų9085%0.85246%0.463SS*.  0-60.70-61.2-58.8161.200116.4E57M1-E57 PolarHBondContact N-OE1 3.2Å
2A57.7Low72.7Confident88 Ų8886.4 Ų86.473%0.72745%0.452SS*.Hα-helixtrans-74.9-34.2-178.900000113.8R5A2-R5 PolarHBondContact O-N 3.49Å
3H61.2Low74.2Confident124 Ų12493.4 Ų93.457%0.57447%0.468SS*.Hα-helixtrans-62.6-47.7179.6-120.6-106.6000113R5 G6 F7 E61H3-R5 PolarHBondContact O-N 3.31Å; H3-G6 PolarHBondContact O-N 3.22Å; H3-G6 VanDerWaalsContact O-N 3.16Å; H3-F7 PolarHBondContact O-N 2.85Å; H3-F7 VanDerWaalsContact O-N 3.11Å; H3-E61 IonicContact CE1-OE1 2.66Å; H3-E61 PolarHBondContact CE1-OE1 3.3Å; H3-E61 VanDerWaalsContact CE1-OE1 3.29Å; H3-E61 IonicContact NE2-OE1 2.8Å
4L63.4Low75.6Confident42 Ų4291.5 Ų91.522%0.2246%0.464CS..Hα-helixtrans-56.8-34.1176.6-86.5150.9000113.4A8 L53 E57 I60L4-A8 WeakPolarHBondContact O-CB 3.38Å; L4-A8 PolarHBondContact O-N 3.29Å; L4-L53 HydrophobicContact CD2-CB 4Å; L4-L53 HydrophobicContact CD2-CD1 4.42Å; L4-E57 HydrophobicContact CD1-CG 3.96Å; L4-I60 HydrophobicContact CD2-CD1 3.93Å; L4-I60 HydrophobicContact CD2-CG1 4.43Å
5R67.4Low77Confident208 Ų20888.8 Ų88.879%0.78545%0.451SS*.Hα-helixtrans-68.2-39.4178.5-85.6-172.5175.2-169.8-0.2112.8A2 H3 H9A2-R5 PolarHBondContact O-N 3.49Å; H3-R5 PolarHBondContact O-N 3.31Å; R5-H9 PolarHBondContact O-N 2.75Å
6G72.5Confident78.2Confident43 Ų4383.3 Ų83.344%0.44342%0.423SS..Hα-helixtrans-68.1-46.3176.700000111.4H3 H9H3-G6 PolarHBondContact O-N 3.22Å; H3-G6 VanDerWaalsContact O-N 3.16Å; G6-H9 PolarHBondContact O-N 2.79Å
7F76.9Confident79.3Confident10 Ų1084.3 Ų84.34%0.04443%0.426CS..Hα-helixtrans-56.3-51.1175.2-177.3-97.7000111.9H3 H9 Q10 H11 L53 I60 I63 Q64 I67 L91H3-F7 PolarHBondContact O-N 2.85Å; H3-F7 VanDerWaalsContact O-N 3.11Å; F7-H9 PolarHBondContact O-N 2.72Å; F7-Q10 WeakPolarHBondContact O-CB 3.35Å; F7-Q10 PolarHBondContact O-N 3.31Å; F7-H11 AromaticContact CE1-CD2 3.96Å; F7-H11 AromaticContact CE1-NE2 3.6Å; F7-H11 AromaticContact CE2-NE2 3.76Å; F7-H11 AromaticContact CZ-NE2 3.43Å; F7-H11 WeakPolarHBondContact CZ-NE2 3.31Å; F7-H11 PolarHBondContact O-CD2 3.46Å; F7-H11 VanDerWaalsContact O-CD2 3.25Å; F7-L53 HydrophobicContact CD1-CD1 3.99Å; F7-L53 HydrophobicContact CE1-CD1 3.71Å; F7-L53 HydrophobicContact CE1-CD2 3.75Å; F7-L53 HydrophobicContact CE1-CG 4.41Å; F7-L53 HydrophobicContact CZ-CD2 4.38Å; F7-I60 HydrophobicContact CB-CG2 4.21Å; F7-I60 HydrophobicContact CD1-CD1 4.43Å; F7-I60 HydrophobicContact CD2-CG2 3.78Å; F7-I60 HydrophobicContact CE1-CD1 4.42Å; F7-I60 HydrophobicContact CE2-CG2 4.3Å; F7-I60 HydrophobicContact CG-CG2 3.92Å; F7-I63 HydrophobicContact CE2-CG2 4.42Å; F7-I63 HydrophobicContact CZ-CG2 3.95Å; F7-Q64 HydrophobicContact CD2-CB 4.12Å; F7-Q64 HydrophobicContact CD2-CG 4.49Å; F7-Q64 HydrophobicContact CE2-CB 3.86Å; F7-Q64 HydrophobicContact CE2-CG 4.49Å; F7-I67 HydrophobicContact CZ-CD1 4.48Å; F7-L91 HydrophobicContact CE1-CD2 3.85Å; F7-L91 HydrophobicContact CZ-CD2 3.63Å
8A73.3Confident80.3Confident12 Ų1287.3 Ų87.310%0.09944%0.438CS..THydrogen-bonded Turntrans-61.8-16.8179.800000115L4 L86L4-A8 WeakPolarHBondContact O-CB 3.38Å; L4-A8 PolarHBondContact O-N 3.29Å; A8-L86 HydrophobicContact CB-CD2 3.33Å
9H79.2Confident81.2Confident157 Ų15785.9 Ų85.973%0.72743%0.432SS*.THydrogen-bonded Turntrans-84.5-13.4178.4-134.153.8000113.1R5 G6 F7R5-H9 PolarHBondContact O-N 2.75Å; G6-H9 PolarHBondContact O-N 2.79Å; F7-H9 PolarHBondContact O-N 2.72Å
10Q82.5Confident82.1Confident122 Ų12282.1 Ų82.157%0.5741%0.412SS*.SBendtrans-86-10.1179.9-58.8-173.4-3.400113.3F7F7-Q10 WeakPolarHBondContact O-CB 3.35Å; F7-Q10 PolarHBondContact O-N 3.31Å
11H90.3Very high82.9Confident11 Ų1181.2 Ų81.25%0.05141%0.412CS..SBendtrans-112145.2-175.2-55.7-63.1000111.1F7 R13 S84 L86 L91F7-H11 AromaticContact CE1-CD2 3.96Å; F7-H11 AromaticContact CE1-NE2 3.6Å; F7-H11 AromaticContact CE2-NE2 3.76Å; F7-H11 AromaticContact CZ-NE2 3.43Å; F7-H11 WeakPolarHBondContact CZ-NE2 3.31Å; F7-H11 PolarHBondContact O-CD2 3.46Å; F7-H11 VanDerWaalsContact O-CD2 3.25Å; H11-R13 PolarHBondContact O-N 3.07Å; H11-S84 PolarHBondContact CE1-OG 3.45Å; H11-S84 WeakPolarHBondContact ND1-CB 3.46Å; H11-S84 PolarHBondContact ND1-OG 2.87Å; H11-L86 HydrophobicContact CB-CB 4.13Å; H11-L91 HydrophobicContact CB-CD1 4.16Å
12S93.1Very high84.9Confident47 Ų4777 Ų7733%0.32939%0.389SS..BIsolated β-bridgetrans-61.3139177.4179.40000110.5V14 S84 Y85 L86S12-V14 PolarHBondContact OG-N 3.49Å; S12-S84 PolarHBondContact N-O 3.31Å; S12-S84 VanDerWaalsContact N-O 3.11Å; S12-Y85 CarbonylContact O-C 3.47Å; S12-Y85 VanDerWaalsContact O-CA 3.3Å; S12-Y85 WeakPolarHBondContact O-CA 3.44Å; S12-L86 PolarHBondContact O-N 2.6Å
13R91.8Very high86.8Confident177 Ų17776.3 Ų76.367%0.66837%0.372SS*.  trans-963.4175.3-66.3-169.9174.3-155.3-3.5113.6H11H11-R13 PolarHBondContact O-N 3.07Å
14V94.4Very high88.5Confident67 Ų6776.3 Ų76.341%0.40638%0.376SS..SBendtrans-61136.1168.8177.90000107.8S12 P16 L19S12-V14 PolarHBondContact OG-N 3.49Å; V14-P16 VanDerWaalsContact O-CD 3.24Å; V14-P16 WeakPolarHBondContact O-CD 3.42Å; V14-P16 VanDerWaalsContact O-N 3.14Å; V14-L19 HydrophobicContact CB-CD1 4.46Å; V14-L19 HydrophobicContact CG1-CD1 3.82Å; V14-L19 HydrophobicContact CG1-CD2 4.47Å; V14-L19 HydrophobicContact CG1-CG 4.07Å
15D95.7Very high90.1Very high51 Ų5180.5 Ų80.527%0.27339%0.389SS..  trans-63.6114.9178-171.1-21000109E17 E18 K87D15-E17 PolarHBondContact O-N 3.4Å; D15-E17 VanDerWaalsContact O-N 3.16Å; D15-E17 PolarHBondContact OD1-N 2.79Å; D15-E18 HydrophobicContact CB-CG 4.08Å; D15-E18 WeakPolarHBondContact O-CB 3.48Å; D15-E18 PolarHBondContact O-N 3.14Å; D15-K87 WeakPolarHBondContact OD1-CD 3.15Å; D15-K87 WeakPolarHBondContact OD1-CE 3.22Å; D15-K87 IonicContact OD1-NZ 3.05Å; D15-K87 PolarHBondContact OD1-NZ 2.95Å; D15-K87 WeakPolarHBondContact OD2-CE 3.49Å; D15-K87 IonicContact OD2-NZ 2.63Å; D15-K87 PolarHBondContact OD2-NZ 2.83Å
16P97.4Very high91.3Very high0 Ų074.4 Ų74.40%037%0.371CS..Hα-helixtrans-63-22.1-177.725.1-33.9000112.8V14 E18 L19 F20 Y85 K87 W92V14-P16 VanDerWaalsContact O-CD 3.24Å; V14-P16 WeakPolarHBondContact O-CD 3.42Å; V14-P16 VanDerWaalsContact O-N 3.14Å; P16-E18 PolarHBondContact O-N 3.39Å; P16-L19 PolarHBondContact O-N 3.07Å; P16-L19 VanDerWaalsContact O-N 3.14Å; P16-F20 HydrophobicContact CB-CD2 4.36Å; P16-F20 WeakPolarHBondContact O-CD2 3.33Å; P16-F20 PolarHBondContact O-N 3.01Å; P16-Y85 HydrophobicContact CB-CD2 4.5Å; P16-Y85 HydrophobicContact CB-CG 4.1Å; P16-K87 HydrophobicContact CG-CB 4.17Å; P16-K87 HydrophobicContact CG-CD 4.47Å; P16-W92 HydrophobicContact CB-CB 4.27Å; P16-W92 HydrophobicContact CB-CD2 3.73Å; P16-W92 HydrophobicContact CB-CE3 3.63Å; P16-W92 HydrophobicContact CB-CG 4.02Å; P16-W92 HydrophobicContact CB-CZ3 4.2Å; P16-W92 HydrophobicContact CG-CB 4.24Å; P16-W92 HydrophobicContact CG-CD2 3.5Å; P16-W92 HydrophobicContact CG-CE3 3.92Å; P16-W92 HydrophobicContact CG-CG 3.64Å; P16-W92 HydrophobicContact CG-CZ2 4.32Å; P16-W92 HydrophobicContact CG-CZ3 4.47Å
17E96.8Very high92.3Very high101 Ų10173.6 Ų73.647%0.47236%0.363SS..Hα-helixtrans-72.6-17.4177.2-67.6-174.815200112.9D15 K87 W92D15-E17 PolarHBondContact O-N 3.4Å; D15-E17 VanDerWaalsContact O-N 3.16Å; D15-E17 PolarHBondContact OD1-N 2.79Å; E17-K87 IonicContact OE2-NZ 2.75Å; E17-K87 PolarHBondContact OE2-NZ 3.11Å; E17-W92 HydrophobicContact CG-CH2 3.62Å; E17-W92 HydrophobicContact CG-CZ2 3.9Å; E17-W92 HydrophobicContact CG-CZ3 4.48Å
18E96.9Very high92.9Very high139 Ų13980.9 Ų80.965%0.6540%0.395SS*.Hα-helixtrans-73.8-32.1169.4-64.5-179.5173.800111.2D15 P16 N40D15-E18 HydrophobicContact CB-CG 4.08Å; D15-E18 WeakPolarHBondContact O-CB 3.48Å; D15-E18 PolarHBondContact O-N 3.14Å; P16-E18 PolarHBondContact O-N 3.39Å; E18-N40 PolarHBondContact O-ND2 2.66Å; E18-N40 VanDerWaalsContact O-ND2 3.07Å
19L97.9Very high93.2Very high60 Ų6081.6 Ų81.631%0.31440%0.404SS..Hα-helixtrans-93.5-31.4-175.4-59.4179.3000113.2V14 P16 N40 Y85V14-L19 HydrophobicContact CB-CD1 4.46Å; V14-L19 HydrophobicContact CG1-CD1 3.82Å; V14-L19 HydrophobicContact CG1-CD2 4.47Å; V14-L19 HydrophobicContact CG1-CG 4.07Å; P16-L19 PolarHBondContact O-N 3.07Å; P16-L19 VanDerWaalsContact O-N 3.14Å; L19-N40 WeakPolarHBondContact O-CB 3.11Å; L19-N40 PolarHBondContact O-N 2.9Å; L19-N40 PolarHBondContact O-ND2 2.89Å; L19-Y85 HydrophobicContact CD1-CD1 4.11Å; L19-Y85 HydrophobicContact CD1-CE1 3.39Å
20F98.4Very high93.2Very high9 Ų979.1 Ų79.14%0.03940%0.404CS..EExtended strand (participates in β ladder)trans-132.3135.6-172.3-54.8-78.6000111.7P16 I38 D39 N40 V46 I48 Y85 I94P16-F20 HydrophobicContact CB-CD2 4.36Å; P16-F20 WeakPolarHBondContact O-CD2 3.33Å; P16-F20 PolarHBondContact O-N 3.01Å; F20-I38 CarbonylContact C-O 3.47Å; F20-I38 VanDerWaalsContact CA-O 3.29Å; F20-I38 WeakPolarHBondContact CA-O 3.5Å; F20-D39 HydrophobicContact CD1-CB 4.06Å; F20-D39 HydrophobicContact CE1-CB 3.93Å; F20-D39 WeakPolarHBondContact CE1-OD2 3.4Å; F20-N40 PolarHBondContact N-ND2 3Å; F20-V46 HydrophobicContact CD1-CG2 4.15Å; F20-I48 HydrophobicContact CB-CD1 4.04Å; F20-Y85 HydrophobicContact CE2-CD2 4.22Å; F20-Y85 AromaticContact CE2-CE2 3.61Å; F20-Y85 HydrophobicContact CE2-CE2 3.61Å; F20-Y85 AromaticContact CE2-CZ 3.82Å; F20-Y85 HydrophobicContact CZ-CE2 4.16Å; F20-I94 HydrophobicContact CD1-CG2 4.21Å; F20-I94 HydrophobicContact CD2-CD1 3.88Å; F20-I94 HydrophobicContact CD2-CG1 4.12Å; F20-I94 HydrophobicContact CE1-CG1 4.37Å; F20-I94 HydrophobicContact CE1-CG2 3.7Å; F20-I94 HydrophobicContact CE2-CD1 4.02Å; F20-I94 HydrophobicContact CE2-CG1 3.71Å; F20-I94 HydrophobicContact CG-CD1 4.18Å; F20-I94 HydrophobicContact CZ-CB 4.36Å; F20-I94 HydrophobicContact CZ-CD1 4.42Å; F20-I94 HydrophobicContact CZ-CG1 3.86Å; F20-I94 HydrophobicContact CZ-CG2 3.9Å
21T98.4Very high93.3Very high65 Ų6575.3 Ų75.340%0.39939%0.386SS..EExtended strand (participates in β ladder)trans-92114.1168-60.50000109.2L23 G37 I38 N40T21-L23 HydrophobicContact CG2-CD2 4.07Å; T21-G37 CarbonylContact O-C 3.55Å; T21-G37 WeakPolarHBondContact O-CA 3.43Å; T21-I38 PolarHBondContact N-O 3.16Å; T21-I38 PolarHBondContact O-N 2.75Å; T21-N40 PolarHBondContact N-OD1 2.87Å; T21-N40 PolarHBondContact OG1-OD1 3.04Å
22K97.8Very high93.3Very high85 Ų8575.4 Ų75.437%0.3739%0.39SS..EExtended strand (participates in β ladder)trans-75.3132.2173.1-171.2176.869.9-178.40110.5Y35 I48 I50 W92K22-Y35 HydrophobicContact CD-CD1 3.78Å; K22-Y35 HydrophobicContact CD-CD2 4.07Å; K22-Y35 HydrophobicContact CD-CE1 4.13Å; K22-Y35 HydrophobicContact CD-CE2 4.42Å; K22-Y35 HydrophobicContact CD-CG 3.75Å; K22-Y35 HydrophobicContact CG-CD1 3.83Å; K22-Y35 HydrophobicContact CG-CG 3.82Å; K22-I48 HydrophobicContact CB-CD1 4.46Å; K22-I50 HydrophobicContact CD-CD1 3.66Å; K22-W92 HydrophobicContact CB-CH2 4.26Å; K22-W92 HydrophobicContact CD-CH2 4.23Å
23L97.6Very high93.5Very high73 Ų7376.2 Ų76.238%0.38239%0.388SS..EExtended strand (participates in β ladder)trans-113.2-143.4178.5-56.8179.5000110.2T21 K36 I38T21-L23 HydrophobicContact CG2-CD2 4.07Å; L23-K36 WeakPolarHBondContact CA-O 3.42Å; L23-K36 HydrophobicContact CB-CB 4.4Å; L23-K36 WeakPolarHBondContact CB-O 3.38Å; L23-K36 HydrophobicContact CD1-CG 4.42Å; L23-K36 PolarHBondContact N-O 2.8Å; L23-I38 HydrophobicContact CD1-CD1 4.19Å; L23-I38 HydrophobicContact CD1-CG1 3.84Å; L23-I38 HydrophobicContact CG-CG1 4.44Å
24D96.3Very high93.7Very high123 Ų12368.9 Ų68.966%0.65836%0.363SS*.EExtended strand (participates in β ladder)trans-63.7144.7-177.3-54.7-57000112.3I26 Y35 K36D24-I26 PolarHBondContact O-N 3.22Å; D24-Y35 WeakPolarHBondContact O-CA 3.3Å; D24-K36 PolarHBondContact O-N 2.88Å
25R96.7Very high93.8Very high131 Ų13167.4 Ų67.449%0.49435%0.35SS..EExtended strand (participates in β ladder)trans-69.5126.6168.3-175.4178.1164.5-142.510.6109.1E33 Y35R25-E33 IonicContact CZ-OE1 3.07Å; R25-E33 IonicContact NE-OE1 3.05Å; R25-E33 PolarHBondContact NE-OE1 2.71Å; R25-E33 IonicContact NH1-OE1 3.29Å; R25-E33 IonicContact NH2-OE1 3.24Å; R25-E33 PolarHBondContact NH2-OE1 3.05Å; R25-Y35 HydrophobicContact CB-CD1 3.84Å; R25-Y35 HydrophobicContact CB-CE1 3.66Å; R25-Y35 HydrophobicContact CG-CD1 4.45Å; R25-Y35 HydrophobicContact CG-CE1 4.16Å
26I94.4Very high93.9Very high79 Ų7968 Ų6841%0.40535%0.351SS..EExtended strand (participates in β ladder)trans-112.1-12.9-177.359.7173.4000113.2D24 V34 K36 Y97D24-I26 PolarHBondContact O-N 3.22Å; I26-V34 HydrophobicContact CD1-CG1 3.93Å; I26-V34 HydrophobicContact CG1-CB 4.21Å; I26-V34 HydrophobicContact CG1-CG1 3.89Å; I26-V34 WeakPolarHBondContact CG1-O 3.41Å; I26-V34 PolarHBondContact N-O 3.43Å; I26-K36 HydrophobicContact CG2-CB 3.85Å; I26-Y97 HydrophobicContact CD1-CD2 3.95Å; I26-Y97 HydrophobicContact CD1-CE2 3.62Å
27G92.3Very high94Very high27 Ų2768 Ų6828%0.27835%0.351SS..EExtended strand (participates in β ladder)trans-173.7178.217800000114.7V34G27-V34 PolarHBondContact N-O 3.21Å; G27-V34 VanDerWaalsContact N-O 3.11Å; G27-V34 PolarHBondContact O-N 3.03Å
28K90.8Very high94.1Very high162 Ų16265.2 Ų65.270%0.70434%0.338SS*.EExtended strand (participates in β ladder)trans-131.1120.2170-170.8178.8176.8179.30107.9G32K28-G32 CarbonylContact C-O 3.6Å
29G77.8Confident94.1Very high28 Ų2860.1 Ų60.129%0.28932%0.315SS..  trans-91.5-174.9170.800000111.4F31 G32G29-F31 VanDerWaalsContact C-N 3.32Å; G29-F31 PolarHBondContact O-N 2.86Å; G29-G32 PolarHBondContact N-O 3.11Å
30S79.8Confident94.1Very high105 Ų10559.4 Ų59.473%0.73431%0.312SS*.SBendtrans-56.9-41.9-178.9-480000113.4
31F85.6Confident94.1Very high42 Ų4267.2 Ų67.218%0.18435%0.348CS..SBendtrans-109.6-1.2-171.5-49.4-65.3000114.2G29 I51 E59 D62 I63 E66G29-F31 VanDerWaalsContact C-N 3.32Å; G29-F31 PolarHBondContact O-N 2.86Å; F31-I51 HydrophobicContact CB-CD1 4Å; F31-I51 HydrophobicContact CB-CG1 4.16Å; F31-I51 HydrophobicContact CB-CG2 4.18Å; F31-I51 WeakPolarHBondContact O-CG2 3.45Å; F31-E59 HydrophobicContact CD1-CB 3.93Å; F31-E59 HydrophobicContact CD1-CG 4.18Å; F31-E59 HydrophobicContact CE1-CB 3.73Å; F31-E59 HydrophobicContact CE1-CG 3.88Å; F31-D62 HydrophobicContact CZ-CB 4.11Å; F31-I63 HydrophobicContact CB-CD1 4.3Å; F31-I63 HydrophobicContact CB-CG1 4.26Å; F31-I63 HydrophobicContact CD1-CD1 4.41Å; F31-I63 HydrophobicContact CD1-CG1 4.16Å; F31-I63 HydrophobicContact CD2-CG1 3.92Å; F31-I63 HydrophobicContact CE2-CG1 4.32Å; F31-I63 HydrophobicContact CG-CD1 4.26Å; F31-I63 HydrophobicContact CG-CG1 3.84Å; F31-E66 WeakPolarHBondContact CE2-OE1 3.24Å
32G90.3Very high94Very high13 Ų1367.2 Ų67.213%0.13435%0.349CS..EExtended strand (participates in β ladder)trans176.3-170.7-170.400000114.8K28 G29 I50K28-G32 CarbonylContact C-O 3.6Å; G29-G32 PolarHBondContact N-O 3.11Å; G32-I50 WeakPolarHBondContact CA-O 3.21Å
33E96.3Very high94Very high64 Ų6470.1 Ų70.130%0.29936%0.361SS..EExtended strand (participates in β ladder)trans-105.5145.5-176-64.8-172.8134.400110.8R25 Y35 K49 I50R25-E33 IonicContact CZ-OE1 3.07Å; R25-E33 IonicContact NE-OE1 3.05Å; R25-E33 PolarHBondContact NE-OE1 2.71Å; R25-E33 IonicContact NH1-OE1 3.29Å; R25-E33 IonicContact NH2-OE1 3.24Å; R25-E33 PolarHBondContact NH2-OE1 3.05Å; E33-Y35 HydrophobicContact CB-CD2 4.3Å; E33-Y35 HydrophobicContact CB-CE2 3.52Å; E33-Y35 PolarHBondContact OE2-OH 3.16Å; E33-K49 CarbonylContact O-C 3.53Å; E33-K49 WeakPolarHBondContact O-CA 3.49Å; E33-I50 PolarHBondContact N-O 2.84Å; E33-I50 PolarHBondContact O-N 3.41Å
34V96.1Very high94Very high23 Ų2372.3 Ų72.314%0.13937%0.369CS..EExtended strand (participates in β ladder)trans-111.1128.6178.1-170.20000108.6I26 G27 A47 I48 K49 M95I26-V34 HydrophobicContact CD1-CG1 3.93Å; I26-V34 HydrophobicContact CG1-CB 4.21Å; I26-V34 HydrophobicContact CG1-CG1 3.89Å; I26-V34 WeakPolarHBondContact CG1-O 3.41Å; I26-V34 PolarHBondContact N-O 3.43Å; G27-V34 PolarHBondContact N-O 3.21Å; G27-V34 VanDerWaalsContact N-O 3.11Å; G27-V34 PolarHBondContact O-N 3.03Å; V34-A47 HydrophobicContact CG1-CB 4.3Å; V34-I48 WeakPolarHBondContact CA-O 3.44Å; V34-K49 HydrophobicContact CG2-CB 4.36Å; V34-K49 HydrophobicContact CG2-CG 4.29Å; V34-M95 HydrophobicContact CG1-CE 3.95Å
35Y97.6Very high94.1Very high36 Ų3669.4 Ų69.414%0.14136%0.356CS..EExtended strand (participates in β ladder)trans-116.7147.1178.8-64.8-98.9000109.8K22 D24 R25 E33 A47 I48 I50K22-Y35 HydrophobicContact CD-CD1 3.78Å; K22-Y35 HydrophobicContact CD-CD2 4.07Å; K22-Y35 HydrophobicContact CD-CE1 4.13Å; K22-Y35 HydrophobicContact CD-CE2 4.42Å; K22-Y35 HydrophobicContact CD-CG 3.75Å; K22-Y35 HydrophobicContact CG-CD1 3.83Å; K22-Y35 HydrophobicContact CG-CG 3.82Å; D24-Y35 WeakPolarHBondContact O-CA 3.3Å; R25-Y35 HydrophobicContact CB-CD1 3.84Å; R25-Y35 HydrophobicContact CB-CE1 3.66Å; R25-Y35 HydrophobicContact CG-CD1 4.45Å; R25-Y35 HydrophobicContact CG-CE1 4.16Å; E33-Y35 HydrophobicContact CB-CD2 4.3Å; E33-Y35 HydrophobicContact CB-CE2 3.52Å; E33-Y35 PolarHBondContact OE2-OH 3.16Å; Y35-A47 CarbonylContact O-C 3.55Å; Y35-A47 WeakPolarHBondContact O-CA 3.12Å; Y35-I48 PolarHBondContact N-O 3.26Å; Y35-I48 PolarHBondContact O-N 3.47Å; Y35-I50 HydrophobicContact CD2-CD1 4.04Å; Y35-I50 HydrophobicContact CD2-CG1 4.3Å; Y35-I50 HydrophobicContact CE2-CD1 4.14Å
36K97.9Very high94.1Very high64 Ų6463.3 Ų63.328%0.27833%0.333SS..EExtended strand (participates in β ladder)trans-71.7147.2159.2-170.1176.3-175.5178.40108.1L23 D24 I26 V45 Y97L23-K36 WeakPolarHBondContact CA-O 3.42Å; L23-K36 HydrophobicContact CB-CB 4.4Å; L23-K36 WeakPolarHBondContact CB-O 3.38Å; L23-K36 HydrophobicContact CD1-CG 4.42Å; L23-K36 PolarHBondContact N-O 2.8Å; D24-K36 PolarHBondContact O-N 2.88Å; I26-K36 HydrophobicContact CG2-CB 3.85Å; K36-V45 HydrophobicContact CD-CG1 4.26Å; K36-V45 HydrophobicContact CG-CG1 3.86Å; K36-Y97 HydrophobicContact CG-CE2 4.36Å
37G98.3Very high94.3Very high0 Ų059.8 Ų59.80%032%0.316CS..EExtended strand (participates in β ladder)trans-150.2175176.300000112.7T21 V45 V46T21-G37 CarbonylContact O-C 3.55Å; T21-G37 WeakPolarHBondContact O-CA 3.43Å; G37-V45 WeakPolarHBondContact O-CA 3.47Å; G37-V46 PolarHBondContact N-O 3.31Å; G37-V46 PolarHBondContact O-N 2.95Å
38I98.5Very high94.5Very high41 Ų4158.5 Ų58.521%0.2130%0.303CS..EExtended strand (participates in β ladder)trans-124.1129.3175.1-57.3-63.8000108.4F20 T21 L23 N40 E44 V45F20-I38 CarbonylContact C-O 3.47Å; F20-I38 VanDerWaalsContact CA-O 3.29Å; F20-I38 WeakPolarHBondContact CA-O 3.5Å; T21-I38 PolarHBondContact N-O 3.16Å; T21-I38 PolarHBondContact O-N 2.75Å; L23-I38 HydrophobicContact CD1-CD1 4.19Å; L23-I38 HydrophobicContact CD1-CG1 3.84Å; L23-I38 HydrophobicContact CG-CG1 4.44Å; I38-N40 PolarHBondContact O-N 2.96Å; I38-E44 WeakPolarHBondContact CA-O 3.32Å; I38-V45 HydrophobicContact CD1-CB 4.49Å; I38-V45 HydrophobicContact CD1-CG2 3.87Å
39D98.4Very high94.8Very high32 Ų3252 Ų5217%0.17128%0.275CS..EExtended strand (participates in β ladder)trans-69.2119.6164.2-177.2-48.2000109F20 H41 T42 K43 E44 V46F20-D39 HydrophobicContact CD1-CB 4.06Å; F20-D39 HydrophobicContact CE1-CB 3.93Å; F20-D39 WeakPolarHBondContact CE1-OD2 3.4Å; D39-H41 PolarHBondContact O-N 2.86Å; D39-H41 WeakPolarHBondContact OD1-CA 3.43Å; D39-H41 WeakPolarHBondContact OD1-CB 3.29Å; D39-H41 PolarHBondContact OD1-N 3.2Å; D39-T42 WeakPolarHBondContact CB-OG1 3.23Å; D39-T42 PolarHBondContact OD1-N 3.29Å; D39-K43 WeakPolarHBondContact O-CA 3.44Å; D39-K43 PolarHBondContact O-N 2.86Å; D39-E44 PolarHBondContact N-O 2.8Å; D39-V46 HydrophobicContact CB-CG1 4.4Å
40N98.1Very high95.7Very high46 Ų4651.8 Ų51.825%0.24627%0.266CS..THydrogen-bonded Turntrans-68.8-23.2-173.8-67.7-22000112.5E18 L19 F20 T21 I38 K43E18-N40 PolarHBondContact O-ND2 2.66Å; E18-N40 VanDerWaalsContact O-ND2 3.07Å; L19-N40 WeakPolarHBondContact O-CB 3.11Å; L19-N40 PolarHBondContact O-N 2.9Å; L19-N40 PolarHBondContact O-ND2 2.89Å; F20-N40 PolarHBondContact N-ND2 3Å; T21-N40 PolarHBondContact N-OD1 2.87Å; T21-N40 PolarHBondContact OG1-OD1 3.04Å; I38-N40 PolarHBondContact O-N 2.96Å; N40-K43 VanDerWaalsContact O-CE 3.31Å; N40-K43 WeakPolarHBondContact O-CE 3.33Å; N40-K43 PolarHBondContact O-NZ 2.85Å
41H96.5Very high96.5Very high172 Ų17246.8 Ų46.880%0.79623%0.231SC*.THydrogen-bonded Turntrans-86.1-54.6179-172.877.1000111.4D39D39-H41 PolarHBondContact O-N 2.86Å; D39-H41 WeakPolarHBondContact OD1-CA 3.43Å; D39-H41 WeakPolarHBondContact OD1-CB 3.29Å; D39-H41 PolarHBondContact OD1-N 3.2Å
42T97.2Very high96.9Very high66 Ų6645.9 Ų45.941%0.40523%0.229SC..THydrogen-bonded Turntrans-83.6-19-175.170.40000113.2D39 E44D39-T42 WeakPolarHBondContact CB-OG1 3.23Å; D39-T42 PolarHBondContact OD1-N 3.29Å; T42-E44 PolarHBondContact O-N 2.9Å; T42-E44 WeakPolarHBondContact OG1-CB 3.45Å; T42-E44 WeakPolarHBondContact OG1-CG 3.08Å; T42-E44 PolarHBondContact OG1-N 2.85Å
43K97.6Very high97Very high145 Ų14545.5 Ų45.563%0.6322%0.224SC*.  trans6412.6-171.1-51.6-53.6-172.3-168.50114.2D39 N40D39-K43 WeakPolarHBondContact O-CA 3.44Å; D39-K43 PolarHBondContact O-N 2.86Å; N40-K43 VanDerWaalsContact O-CE 3.31Å; N40-K43 WeakPolarHBondContact O-CE 3.33Å; N40-K43 PolarHBondContact O-NZ 2.85Å
44E97.4Very high96.8Very high119 Ų11949.3 Ų49.356%0.55624%0.241SC*.  trans-76.7152.1176.3-65.3-175.1138.500111.8I38 D39 T42I38-E44 WeakPolarHBondContact CA-O 3.32Å; D39-E44 PolarHBondContact N-O 2.8Å; T42-E44 PolarHBondContact O-N 2.9Å; T42-E44 WeakPolarHBondContact OG1-CB 3.45Å; T42-E44 WeakPolarHBondContact OG1-CG 3.08Å; T42-E44 PolarHBondContact OG1-N 2.85Å
45V98Very high96.6Very high63 Ų6355.9 Ų55.938%0.38227%0.271SS..EExtended strand (participates in β ladder)trans-80.9130.5174.6-177.20000109.1K36 G37 I38 Y97K36-V45 HydrophobicContact CD-CG1 4.26Å; K36-V45 HydrophobicContact CG-CG1 3.86Å; G37-V45 WeakPolarHBondContact O-CA 3.47Å; I38-V45 HydrophobicContact CD1-CB 4.49Å; I38-V45 HydrophobicContact CD1-CG2 3.87Å; V45-Y97 HydrophobicContact CB-CD1 4.39Å; V45-Y97 HydrophobicContact CG1-CD1 3.52Å; V45-Y97 HydrophobicContact CG1-CE1 4.17Å; V45-Y97 HydrophobicContact CG1-CG 3.75Å
46V98.2Very high96.2Very high2 Ų254.5 Ų54.51%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-126.2160.1179.8-620000111.1F20 G37 D39 I48 F82 I94F20-V46 HydrophobicContact CD1-CG2 4.15Å; G37-V46 PolarHBondContact N-O 3.31Å; G37-V46 PolarHBondContact O-N 2.95Å; D39-V46 HydrophobicContact CB-CG1 4.4Å; V46-I48 HydrophobicContact CG2-CD1 4.33Å; V46-I48 HydrophobicContact CG2-CG1 3.98Å; V46-F82 HydrophobicContact CG1-CD2 4.26Å; V46-F82 HydrophobicContact CG1-CE2 4.05Å; V46-I94 HydrophobicContact CB-CG2 4.06Å; V46-I94 HydrophobicContact CG1-CG2 4.22Å; V46-I94 HydrophobicContact CG2-CG2 4.17Å
47A97.4Very high95.8Very high6 Ų655.8 Ų55.85%0.0527%0.273CS..EExtended strand (participates in β ladder)trans-98.8135.7164.300000109.3V34 Y35 M95 Y97V34-A47 HydrophobicContact CG1-CB 4.3Å; Y35-A47 CarbonylContact O-C 3.55Å; Y35-A47 WeakPolarHBondContact O-CA 3.12Å; A47-M95 HydrophobicContact CB-CE 3.79Å; A47-M95 HydrophobicContact CB-CG 3.76Å; A47-M95 PolarHBondContact N-O 3.45Å; A47-M95 PolarHBondContact O-N 3.35Å; A47-Y97 HydrophobicContact CB-CD2 4.4Å
48I97.8Very high95.5Very high0 Ų063.3 Ų63.30%031%0.314CS..EExtended strand (participates in β ladder)trans-120104.4-177.1-53.9-179.6000107.5F20 K22 V34 Y35 V46 I50 W92 I94F20-I48 HydrophobicContact CB-CD1 4.04Å; K22-I48 HydrophobicContact CB-CD1 4.46Å; V34-I48 WeakPolarHBondContact CA-O 3.44Å; Y35-I48 PolarHBondContact N-O 3.26Å; Y35-I48 PolarHBondContact O-N 3.47Å; V46-I48 HydrophobicContact CG2-CD1 4.33Å; V46-I48 HydrophobicContact CG2-CG1 3.98Å; I48-I50 HydrophobicContact CG2-CD1 4.19Å; I48-I50 HydrophobicContact CG2-CG1 3.84Å; I48-W92 HydrophobicContact CD1-CE3 4.44Å; I48-W92 HydrophobicContact CD1-CZ3 4.06Å; I48-W92 HydrophobicContact CG2-CD2 4.02Å; I48-W92 HydrophobicContact CG2-CE3 3.32Å; I48-W92 HydrophobicContact CG2-CZ3 3.76Å; I48-I94 HydrophobicContact CB-CD1 4.42Å; I48-I94 HydrophobicContact CG1-CD1 4.05Å; I48-I94 HydrophobicContact CG2-CD1 3.99Å
49K96.3Very high95.2Very high26 Ų2664.8 Ų64.811%0.11332%0.32CS..EExtended strand (participates in β ladder)trans-88.4121.4171.7-176.9179-179.4-173.40108.2E33 V34 I51 E66 W92 I93 M95E33-K49 CarbonylContact O-C 3.53Å; E33-K49 WeakPolarHBondContact O-CA 3.49Å; V34-K49 HydrophobicContact CG2-CB 4.36Å; V34-K49 HydrophobicContact CG2-CG 4.29Å; K49-I51 HydrophobicContact CG-CG1 4.33Å; K49-E66 IonicContact NZ-OE2 3.68Å; K49-E66 PolarHBondContact NZ-OE2 3.11Å; K49-W92 WeakPolarHBondContact O-CA 3.36Å; K49-I93 HydrophobicContact CB-CB 4.26Å; K49-I93 HydrophobicContact CD-CD1 4.43Å; K49-I93 PolarHBondContact N-O 3.09Å; K49-I93 PolarHBondContact O-N 3.45Å; K49-M95 HydrophobicContact CB-CE 3.99Å
50I97Very high94.9Very high22 Ų2263.6 Ų63.611%0.11331%0.314CS..EExtended strand (participates in β ladder)trans-112.5122.4179.1-55.3-179.8000108.8K22 G32 E33 Y35 I48 K90 L91 W92K22-I50 HydrophobicContact CD-CD1 3.66Å; G32-I50 WeakPolarHBondContact CA-O 3.21Å; E33-I50 PolarHBondContact N-O 2.84Å; E33-I50 PolarHBondContact O-N 3.41Å; Y35-I50 HydrophobicContact CD2-CD1 4.04Å; Y35-I50 HydrophobicContact CD2-CG1 4.3Å; Y35-I50 HydrophobicContact CE2-CD1 4.14Å; I48-I50 HydrophobicContact CG2-CD1 4.19Å; I48-I50 HydrophobicContact CG2-CG1 3.84Å; I50-K90 HydrophobicContact CG2-CB 4.1Å; I50-K90 HydrophobicContact CG2-CD 4.37Å; I50-L91 WeakPolarHBondContact CA-O 3.48Å; I50-W92 HydrophobicContact CD1-CD2 4.06Å; I50-W92 HydrophobicContact CD1-CE3 4.42Å; I50-W92 HydrophobicContact CD1-CH2 4.11Å; I50-W92 HydrophobicContact CD1-CZ2 3.71Å; I50-W92 HydrophobicContact CD1-CZ3 4.45Å; I50-W92 HydrophobicContact CG1-CD2 4.09Å; I50-W92 HydrophobicContact CG1-CG 4.28Å
51I96Very high94.5Very high0 Ų067.7 Ų67.70%033%0.331CS..EExtended strand (participates in β ladder)trans-116133.8-180-58.8175.3000108F31 K49 L53 A56 I63 K90 L91 I93F31-I51 HydrophobicContact CB-CD1 4Å; F31-I51 HydrophobicContact CB-CG1 4.16Å; F31-I51 HydrophobicContact CB-CG2 4.18Å; F31-I51 WeakPolarHBondContact O-CG2 3.45Å; K49-I51 HydrophobicContact CG-CG1 4.33Å; I51-L53 HydrophobicContact CG2-CD2 4.11Å; I51-A56 HydrophobicContact CG2-CB 4.16Å; I51-I63 HydrophobicContact CD1-CD1 4.46Å; I51-I63 HydrophobicContact CD1-CG1 4.34Å; I51-I63 HydrophobicContact CD1-CG2 3.93Å; I51-I63 HydrophobicContact CG2-CD1 3.91Å; I51-K90 CarbonylContact O-C 3.59Å; I51-K90 VanDerWaalsContact O-CA 3.31Å; I51-K90 WeakPolarHBondContact O-CA 3.32Å; I51-L91 HydrophobicContact CB-CB 4.4Å; I51-L91 PolarHBondContact N-O 3.29Å; I51-L91 PolarHBondContact O-N 3.01Å; I51-I93 HydrophobicContact CD1-CD1 3.93Å
52D94.7Very high94.4Very high23 Ų2363.8 Ų63.812%0.12332%0.316CS..EExtended strand (participates in β ladder)trans-87.9112.1167.5-164.6-19.6000110E54 E55 A56 T89 K90D52-E54 VanDerWaalsContact C-N 3.25Å; D52-E54 PolarHBondContact O-N 3.25Å; D52-E54 PolarHBondContact OD1-N 3.4Å; D52-E55 HydrophobicContact CB-CB 4.11Å; D52-E55 HydrophobicContact CB-CG 4.04Å; D52-E55 PolarHBondContact O-N 3.26Å; D52-A56 WeakPolarHBondContact O-CB 3.43Å; D52-A56 PolarHBondContact O-N 3.17Å; D52-T89 PolarHBondContact OD1-OG1 2.63Å; D52-K90 HydrophobicContact CB-CD 3.98Å; D52-K90 VanDerWaalsContact CG-NZ 3.26Å; D52-K90 WeakPolarHBondContact OD2-CE 3.45Å; D52-K90 IonicContact OD2-NZ 3.9Å; D52-K90 PolarHBondContact OD2-NZ 3.05Å
53L92Very high94.2Very high6 Ų660.7 Ų60.73%0.03130%0.297CS..THydrogen-bonded Turntrans-73.9-15.5-178.9-57.6-179.8000113.1L4 F7 I51 E57 I60 L86 T89 L91L4-L53 HydrophobicContact CD2-CB 4Å; L4-L53 HydrophobicContact CD2-CD1 4.42Å; F7-L53 HydrophobicContact CD1-CD1 3.99Å; F7-L53 HydrophobicContact CE1-CD1 3.71Å; F7-L53 HydrophobicContact CE1-CD2 3.75Å; F7-L53 HydrophobicContact CE1-CG 4.41Å; F7-L53 HydrophobicContact CZ-CD2 4.38Å; I51-L53 HydrophobicContact CG2-CD2 4.11Å; L53-E57 PolarHBondContact O-N 2.72Å; L53-I60 HydrophobicContact CB-CD1 4.29Å; L53-I60 HydrophobicContact CD2-CD1 3.71Å; L53-I60 HydrophobicContact CG-CD1 4.47Å; L53-L86 HydrophobicContact CD1-CD1 3.6Å; L53-T89 WeakPolarHBondContact CB-O 3.43Å; L53-T89 WeakPolarHBondContact CG-O 3.36Å; L53-T89 PolarHBondContact N-O 2.92Å; L53-L91 HydrophobicContact CD1-CB 4.21Å; L53-L91 HydrophobicContact CD2-CB 3.97Å; L53-L91 HydrophobicContact CD2-CD2 4.3Å; L53-L91 HydrophobicContact CG-CB 4.1Å
54E91.1Very high93.9Very high143 Ų14355.8 Ų55.867%0.66828%0.276SS*.THydrogen-bonded Turntrans-76-36.4170.3-74.4-175.6160.300111.4D52 T89D52-E54 VanDerWaalsContact C-N 3.25Å; D52-E54 PolarHBondContact O-N 3.25Å; D52-E54 PolarHBondContact OD1-N 3.4Å; E54-T89 VanDerWaalsContact CD-CG2 3.49Å; E54-T89 HydrophobicContact CG-CG2 3.58Å; E54-T89 WeakPolarHBondContact OE1-CG2 3.39Å
55E91.8Very high93.7Very high162 Ų16256.2 Ų56.276%0.75728%0.278SS*.THydrogen-bonded Turntrans-78.6-25.2176.5-62.2-173.4165.600112.2D52D52-E55 HydrophobicContact CB-CB 4.11Å; D52-E55 HydrophobicContact CB-CG 4.04Å; D52-E55 PolarHBondContact O-N 3.26Å
56A90.7Very high93.3Very high7 Ų757.3 Ų57.36%0.05828%0.279CS..THydrogen-bonded Turntrans-109.331.5-176.200000113.5I51 D52 D58 E59 I60 I63I51-A56 HydrophobicContact CG2-CB 4.16Å; D52-A56 WeakPolarHBondContact O-CB 3.43Å; D52-A56 PolarHBondContact O-N 3.17Å; A56-D58 VanDerWaalsContact C-N 3.26Å; A56-D58 PolarHBondContact O-N 3.32Å; A56-E59 WeakPolarHBondContact CA-OE2 3.36Å; A56-E59 PolarHBondContact O-N 3.42Å; A56-I60 WeakPolarHBondContact O-CG1 3.36Å; A56-I60 PolarHBondContact O-N 2.92Å; A56-I63 HydrophobicContact CB-CD1 3.89Å
57E89.4Confident93.1Very high90 Ų9057.8 Ų57.842%0.42128%0.282SS..SBendtrans-61.1-34.8-176.8-177.6170.8-161.800112.1M1 L4 L53 I60M1-E57 PolarHBondContact N-OE1 3.2Å; L4-E57 HydrophobicContact CD1-CG 3.96Å; L53-E57 PolarHBondContact O-N 2.72Å; E57-I60 VanDerWaalsContact O-CG1 3.31Å; E57-I60 WeakPolarHBondContact O-CG1 3.32Å
58D91.4Very high92.8Very high158 Ų15859.9 Ų59.985%0.84529%0.294SS*.THydrogen-bonded Turntrans-78.3-20.1-178.6-68.7-35000112.5A56A56-D58 VanDerWaalsContact C-N 3.26Å; A56-D58 PolarHBondContact O-N 3.32Å
59E92.4Very high92.6Very high72 Ų7263.9 Ų63.934%0.33632%0.318SS..THydrogen-bonded Turntrans-101.28-177.7-57.985.417300114F31 A56 E61 D62 I63F31-E59 HydrophobicContact CD1-CB 3.93Å; F31-E59 HydrophobicContact CD1-CG 4.18Å; F31-E59 HydrophobicContact CE1-CB 3.73Å; F31-E59 HydrophobicContact CE1-CG 3.88Å; A56-E59 WeakPolarHBondContact CA-OE2 3.36Å; A56-E59 PolarHBondContact O-N 3.42Å; E59-E61 VanDerWaalsContact C-N 3.25Å; E59-E61 PolarHBondContact O-N 2.93Å; E59-D62 PolarHBondContact O-N 3.07Å; E59-D62 VanDerWaalsContact O-N 3.1Å; E59-I63 HydrophobicContact CB-CD1 4.29Å; E59-I63 WeakPolarHBondContact O-CG1 3.34Å; E59-I63 PolarHBondContact O-N 3.39Å
60I91.1Very high92.4Very high8 Ų864.5 Ų64.54%0.04132%0.323CS..Hα-helixtrans-56.1-38.6-176.2-68.2-68.9000112.5L4 F7 L53 A56 E57 Q64L4-I60 HydrophobicContact CD2-CD1 3.93Å; L4-I60 HydrophobicContact CD2-CG1 4.43Å; F7-I60 HydrophobicContact CB-CG2 4.21Å; F7-I60 HydrophobicContact CD1-CD1 4.43Å; F7-I60 HydrophobicContact CD2-CG2 3.78Å; F7-I60 HydrophobicContact CE1-CD1 4.42Å; F7-I60 HydrophobicContact CE2-CG2 4.3Å; F7-I60 HydrophobicContact CG-CG2 3.92Å; L53-I60 HydrophobicContact CB-CD1 4.29Å; L53-I60 HydrophobicContact CD2-CD1 3.71Å; L53-I60 HydrophobicContact CG-CD1 4.47Å; A56-I60 WeakPolarHBondContact O-CG1 3.36Å; A56-I60 PolarHBondContact O-N 2.92Å; E57-I60 VanDerWaalsContact O-CG1 3.31Å; E57-I60 WeakPolarHBondContact O-CG1 3.32Å; I60-Q64 VanDerWaalsContact O-CB 3.32Å; I60-Q64 WeakPolarHBondContact O-CB 3.39Å; I60-Q64 PolarHBondContact O-N 3.41Å
61E91.4Very high92.2Very high131 Ų13166.3 Ų66.361%0.61234%0.337SS*.Hα-helixtrans-66.5-41.4179.1-65.7-171.1169.400111.9H3 E59 Q64 Q65H3-E61 IonicContact CE1-OE1 2.66Å; H3-E61 PolarHBondContact CE1-OE1 3.3Å; H3-E61 VanDerWaalsContact CE1-OE1 3.29Å; H3-E61 IonicContact NE2-OE1 2.8Å; E59-E61 VanDerWaalsContact C-N 3.25Å; E59-E61 PolarHBondContact O-N 2.93Å; E61-Q64 PolarHBondContact O-N 2.97Å; E61-Q65 WeakPolarHBondContact O-CB 3.45Å; E61-Q65 PolarHBondContact O-N 2.93Å
62D93.2Very high92.1Very high90 Ų9073.5 Ų73.548%0.48137%0.371SS..Hα-helixtrans-65.9-44.3177.2-68.2-20.2000110.9F31 E59 Q64 Q65 E66F31-D62 HydrophobicContact CZ-CB 4.11Å; E59-D62 PolarHBondContact O-N 3.07Å; E59-D62 VanDerWaalsContact O-N 3.1Å; D62-Q64 VanDerWaalsContact C-N 3.34Å; D62-Q64 PolarHBondContact O-N 2.71Å; D62-Q65 PolarHBondContact O-N 3.42Å; D62-E66 PolarHBondContact O-N 3.46Å
63I93.2Very high92Very high1 Ų174.3 Ų74.31%0.00538%0.378CS..Hα-helixtrans-60.1-45.3176-65.5160.9000110.5F7 F31 I51 A56 E59 Q65 E66 I67 L91F7-I63 HydrophobicContact CE2-CG2 4.42Å; F7-I63 HydrophobicContact CZ-CG2 3.95Å; F31-I63 HydrophobicContact CB-CD1 4.3Å; F31-I63 HydrophobicContact CB-CG1 4.26Å; F31-I63 HydrophobicContact CD1-CD1 4.41Å; F31-I63 HydrophobicContact CD1-CG1 4.16Å; F31-I63 HydrophobicContact CD2-CG1 3.92Å; F31-I63 HydrophobicContact CE2-CG1 4.32Å; F31-I63 HydrophobicContact CG-CD1 4.26Å; F31-I63 HydrophobicContact CG-CG1 3.84Å; I51-I63 HydrophobicContact CD1-CD1 4.46Å; I51-I63 HydrophobicContact CD1-CG1 4.34Å; I51-I63 HydrophobicContact CD1-CG2 3.93Å; I51-I63 HydrophobicContact CG2-CD1 3.91Å; A56-I63 HydrophobicContact CB-CD1 3.89Å; E59-I63 HydrophobicContact CB-CD1 4.29Å; E59-I63 WeakPolarHBondContact O-CG1 3.34Å; E59-I63 PolarHBondContact O-N 3.39Å; I63-Q65 VanDerWaalsContact C-N 3.32Å; I63-Q65 PolarHBondContact O-N 3.26Å; I63-E66 PolarHBondContact O-N 2.9Å; I63-I67 HydrophobicContact CG2-CD1 3.97Å; I63-I67 WeakPolarHBondContact O-CG1 3.36Å; I63-I67 PolarHBondContact O-N 3.22Å; I63-L91 HydrophobicContact CG2-CD2 4.09Å
64Q92.1Very high91.9Very high42 Ų4281.1 Ų81.120%0.19641%0.414CS..Hα-helixtrans-61-42.8177.3-179.264.55600111.5F7 I60 E61 D62 I67 T68F7-Q64 HydrophobicContact CD2-CB 4.12Å; F7-Q64 HydrophobicContact CD2-CG 4.49Å; F7-Q64 HydrophobicContact CE2-CB 3.86Å; F7-Q64 HydrophobicContact CE2-CG 4.49Å; I60-Q64 VanDerWaalsContact O-CB 3.32Å; I60-Q64 WeakPolarHBondContact O-CB 3.39Å; I60-Q64 PolarHBondContact O-N 3.41Å; E61-Q64 PolarHBondContact O-N 2.97Å; D62-Q64 VanDerWaalsContact C-N 3.34Å; D62-Q64 PolarHBondContact O-N 2.71Å; Q64-I67 PolarHBondContact O-N 3.38Å; Q64-T68 PolarHBondContact NE2-OG1 3.38Å; Q64-T68 WeakPolarHBondContact O-CB 3.5Å; Q64-T68 PolarHBondContact O-N 3.29Å; Q64-T68 PolarHBondContact O-OG1 2.8Å
65Q92.1Very high92Very high129 Ų12976.1 Ų76.160%0.60340%0.395SS*.Hα-helixtrans-64.9-43.6178.7-175.7172.3-15.400111.2E61 D62 I63 I67 T68 V69E61-Q65 WeakPolarHBondContact O-CB 3.45Å; E61-Q65 PolarHBondContact O-N 2.93Å; D62-Q65 PolarHBondContact O-N 3.42Å; I63-Q65 VanDerWaalsContact C-N 3.32Å; I63-Q65 PolarHBondContact O-N 3.26Å; Q65-I67 PolarHBondContact O-N 3.35Å; Q65-T68 PolarHBondContact O-N 2.8Å; Q65-V69 WeakPolarHBondContact O-CG2 3.46Å; Q65-V69 PolarHBondContact O-N 2.87Å
66E90.9Very high92Very high86 Ų8673.8 Ų73.840%0.40239%0.394SS..Hα-helixtrans-56.8-50.1174.8-76.2-165.5171.100111.7F31 K49 D62 I63 T68 V69 L70F31-E66 WeakPolarHBondContact CE2-OE1 3.24Å; K49-E66 IonicContact NZ-OE2 3.68Å; K49-E66 PolarHBondContact NZ-OE2 3.11Å; D62-E66 PolarHBondContact O-N 3.46Å; I63-E66 PolarHBondContact O-N 2.9Å; E66-T68 VanDerWaalsContact C-N 3.31Å; E66-T68 PolarHBondContact O-N 2.81Å; E66-V69 PolarHBondContact O-N 2.95Å; E66-L70 VanDerWaalsContact O-CB 3.31Å; E66-L70 WeakPolarHBondContact O-CB 3.31Å; E66-L70 PolarHBondContact O-N 2.84Å
67I92.5Very high92.1Very high11 Ų1183.6 Ų83.66%0.05643%0.431CS..Hα-helixtrans-61.9-42.2179.4-66168.4000110.5F7 I63 Q64 Q65 L70 S71 Y81 L91 I93F7-I67 HydrophobicContact CZ-CD1 4.48Å; I63-I67 HydrophobicContact CG2-CD1 3.97Å; I63-I67 WeakPolarHBondContact O-CG1 3.36Å; I63-I67 PolarHBondContact O-N 3.22Å; Q64-I67 PolarHBondContact O-N 3.38Å; Q65-I67 PolarHBondContact O-N 3.35Å; I67-L70 PolarHBondContact O-N 2.86Å; I67-S71 WeakPolarHBondContact O-CB 3.44Å; I67-S71 PolarHBondContact O-N 3.46Å; I67-S71 PolarHBondContact O-OG 2.98Å; I67-S71 VanDerWaalsContact O-OG 3.07Å; I67-Y81 HydrophobicContact CG2-CE2 4.31Å; I67-L91 HydrophobicContact CD1-CD2 3.78Å; I67-I93 HydrophobicContact CD1-CD1 3.79Å; I67-I93 HydrophobicContact CD1-CG1 4.26Å; I67-I93 HydrophobicContact CG1-CD1 3.82Å; I67-I93 HydrophobicContact CG1-CG1 4.5Å
68T92.8Very high92.3Very high50 Ų5082.8 Ų82.831%0.30743%0.429SS..Hα-helixtrans-61.3-49.1-179.5-58.70000110.8Q64 Q65 E66 S71 Q72Q64-T68 PolarHBondContact NE2-OG1 3.38Å; Q64-T68 WeakPolarHBondContact O-CB 3.5Å; Q64-T68 PolarHBondContact O-N 3.29Å; Q64-T68 PolarHBondContact O-OG1 2.8Å; Q65-T68 PolarHBondContact O-N 2.8Å; E66-T68 VanDerWaalsContact C-N 3.31Å; E66-T68 PolarHBondContact O-N 2.81Å; T68-S71 PolarHBondContact O-OG 3.41Å; T68-Q72 WeakPolarHBondContact O-CG 3.36Å; T68-Q72 PolarHBondContact O-N 3.44Å
69V92.6Very high92.3Very high84 Ų8476.9 Ų76.951%0.50940%0.399SS..Hα-helixtrans-61.6-49.2177.3172.20000110.6Q65 E66 S71 Q72 C73Q65-V69 WeakPolarHBondContact O-CG2 3.46Å; Q65-V69 PolarHBondContact O-N 2.87Å; E66-V69 PolarHBondContact O-N 2.95Å; V69-S71 VanDerWaalsContact C-N 3.35Å; V69-S71 PolarHBondContact O-N 2.86Å; V69-Q72 PolarHBondContact O-N 3.48Å; V69-C73 PolarHBondContact O-SG 3.06Å; V69-C73 VanDerWaalsContact O-SG 3.32Å
70L91.7Very high92.4Very high40 Ų4079.2 Ų79.221%0.20940%0.404CS..Hα-helixtrans-64.9-38.5-176.3-167.769.9000112.4E66 I67 Q72 C73 I78 T79 Y81E66-L70 VanDerWaalsContact O-CB 3.31Å; E66-L70 WeakPolarHBondContact O-CB 3.31Å; E66-L70 PolarHBondContact O-N 2.84Å; I67-L70 PolarHBondContact O-N 2.86Å; L70-Q72 PolarHBondContact O-N 2.94Å; L70-C73 PolarHBondContact O-N 2.87Å; L70-C73 VanDerWaalsContact O-N 3.17Å; L70-I78 HydrophobicContact CD1-CG2 4.41Å; L70-T79 HydrophobicContact CD1-CG2 3.87Å; L70-Y81 HydrophobicContact CD2-CD2 4.29Å
71S92.9Very high92.7Very high60 Ų6081.4 Ų81.442%0.4241%0.412SS..Hα-helixtrans-67.8-17.5178.869.90000114.3I67 T68 V69I67-S71 WeakPolarHBondContact O-CB 3.44Å; I67-S71 PolarHBondContact O-N 3.46Å; I67-S71 PolarHBondContact O-OG 2.98Å; I67-S71 VanDerWaalsContact O-OG 3.07Å; T68-S71 PolarHBondContact O-OG 3.41Å; V69-S71 VanDerWaalsContact C-N 3.35Å; V69-S71 PolarHBondContact O-N 2.86Å
72Q93.9Very high92.9Very high150 Ų15079.4 Ų79.470%0.70140%0.402SS*.THydrogen-bonded Turntrans-93-7.2177-67.8173.69.300112.6T68 V69 L70T68-Q72 WeakPolarHBondContact O-CG 3.36Å; T68-Q72 PolarHBondContact O-N 3.44Å; V69-Q72 PolarHBondContact O-N 3.48Å; L70-Q72 PolarHBondContact O-N 2.94Å
73C92.1Very high93Very high40 Ų4075.7 Ų75.727%0.2738%0.384SS..  trans-85.5117.5178.6-65.20000111.1V69 L70 I78V69-C73 PolarHBondContact O-SG 3.06Å; V69-C73 VanDerWaalsContact O-SG 3.32Å; L70-C73 PolarHBondContact O-N 2.87Å; L70-C73 VanDerWaalsContact O-N 3.17Å; C73-I78 HydrophobicContact CB-CB 4.3Å; C73-I78 HydrophobicContact CB-CD1 4.06Å; C73-I78 HydrophobicContact CB-CG2 3.76Å
74D90.5Very high93.2Very high149 Ų14976 Ų7680%0.79739%0.387SS*.  trans-126.589.1167.8-17317.4000109.2
75S94.4Very high93.4Very high39 Ų3975.9 Ų75.927%0.27339%0.385SS..  trans-151.9141.7-176.6172.60000109.9Y77 I78S75-Y77 PolarHBondContact O-N 3.36Å; S75-Y77 VanDerWaalsContact O-N 3.09Å; S75-Y77 PolarHBondContact OG-N 2.93Å; S75-I78 PolarHBondContact O-N 2.91Å; S75-I78 VanDerWaalsContact O-O 3.08Å
76P91.7Very high93.6Very high113 Ų11370.8 Ų70.873%0.73436%0.362SS*.THydrogen-bonded Turntrans-67.3-6.9176.229.5-36.4000113.9
77Y92.6Very high93.8Very high213 Ų21369.4 Ų69.484%0.83535%0.354SS*.THydrogen-bonded Turntrans-104.50.8-179.5-50.4-66.7000113.5S75S75-Y77 PolarHBondContact O-N 3.36Å; S75-Y77 VanDerWaalsContact O-N 3.09Å; S75-Y77 PolarHBondContact OG-N 2.93Å
78I92.2Very high93.7Very high73 Ų7374.2 Ų74.237%0.37439%0.389SS..SBendtrans-125137179.2-58176.1000107.3L70 C73 S75 R80L70-I78 HydrophobicContact CD1-CG2 4.41Å; C73-I78 HydrophobicContact CB-CB 4.3Å; C73-I78 HydrophobicContact CB-CD1 4.06Å; C73-I78 HydrophobicContact CB-CG2 3.76Å; S75-I78 PolarHBondContact O-N 2.91Å; S75-I78 VanDerWaalsContact O-O 3.08Å; I78-R80 PolarHBondContact O-N 3.46Å
79T92.1Very high93.7Very high34 Ų3474 Ų7421%0.20939%0.387CS..PPolyproline II helixtrans-55.7129.7177.5-174.60000110.6L70 E96L70-T79 HydrophobicContact CD1-CG2 3.87Å; T79-E96 PolarHBondContact OG1-O 2.87Å
80R94.9Very high93.8Very high120 Ų12073.8 Ų73.845%0.45338%0.38SS..PPolyproline II helixtrans-74.3130.4-178.5-171.9178.9-68.5136.24.3111.1I78 F82 M95 E96I78-R80 PolarHBondContact O-N 3.46Å; R80-F82 HydrophobicContact CB-CE1 4.39Å; R80-F82 VanDerWaalsContact CD-CE1 3.43Å; R80-F82 HydrophobicContact CG-CD1 4.18Å; R80-F82 HydrophobicContact CG-CE1 3.93Å; R80-M95 CarbonylContact O-C 3.55Å; R80-M95 VanDerWaalsContact O-CA 3.23Å; R80-M95 WeakPolarHBondContact O-CA 3.12Å; R80-M95 WeakPolarHBondContact O-CB 3.37Å; R80-E96 HydrophobicContact CB-CB 4.13Å; R80-E96 PolarHBondContact N-OE2 3.22Å; R80-E96 PolarHBondContact O-N 2.84Å
81Y96.4Very high94.1Very high54 Ų5471.9 Ų71.921%0.21237%0.37CS..EExtended strand (participates in β ladder)trans-84.3128.6166.7170.6-101000110.6I67 L70 G83 S84 I93I67-Y81 HydrophobicContact CG2-CE2 4.31Å; L70-Y81 HydrophobicContact CD2-CD2 4.29Å; Y81-G83 WeakPolarHBondContact CE2-O 3.4Å; Y81-G83 VanDerWaalsContact CZ-C 3.48Å; Y81-G83 VanDerWaalsContact CZ-CA 3.4Å; Y81-G83 WeakPolarHBondContact OH-CA 3.31Å; Y81-S84 WeakPolarHBondContact OH-CB 3.31Å; Y81-S84 PolarHBondContact OH-N 2.97Å; Y81-S84 PolarHBondContact OH-OG 3.44Å; Y81-I93 HydrophobicContact CD2-CG2 4.08Å; Y81-I93 HydrophobicContact CE2-CG2 3.99Å
82F95.9Very high94.3Very high90 Ų9069.4 Ų69.440%0.39535%0.351SS..EExtended strand (participates in β ladder)trans-100.7-32.7178.1-64-52.2000113V46 R80 I94 E96V46-F82 HydrophobicContact CG1-CD2 4.26Å; V46-F82 HydrophobicContact CG1-CE2 4.05Å; R80-F82 HydrophobicContact CB-CE1 4.39Å; R80-F82 VanDerWaalsContact CD-CE1 3.43Å; R80-F82 HydrophobicContact CG-CD1 4.18Å; R80-F82 HydrophobicContact CG-CE1 3.93Å; F82-I94 HydrophobicContact CB-CB 4.27Å; F82-I94 HydrophobicContact CB-CG2 4.19Å; F82-I94 HydrophobicContact CD2-CG2 4.07Å; F82-I94 PolarHBondContact N-O 2.93Å; F82-E96 HydrophobicContact CE2-CB 4.4Å; F82-E96 HydrophobicContact CZ-CB 4.49Å
83G95.7Very high94.4Very high11 Ų1162.6 Ų62.611%0.11332%0.319CS..EExtended strand (participates in β ladder)trans159.8175.9-178.100000112.9Y81 I94Y81-G83 WeakPolarHBondContact CE2-O 3.4Å; Y81-G83 VanDerWaalsContact CZ-C 3.48Å; Y81-G83 VanDerWaalsContact CZ-CA 3.4Å; Y81-G83 WeakPolarHBondContact OH-CA 3.31Å; G83-I94 PolarHBondContact N-O 3.36Å; G83-I94 PolarHBondContact O-N 3.25Å
84S96.9Very high94.7Very high8 Ų860.7 Ų60.76%0.05631%0.307CS..EExtended strand (participates in β ladder)trans-141.9145.5176.947.90000112.3H11 S12 Y81 W92H11-S84 PolarHBondContact CE1-OG 3.45Å; H11-S84 WeakPolarHBondContact ND1-CB 3.46Å; H11-S84 PolarHBondContact ND1-OG 2.87Å; S12-S84 PolarHBondContact N-O 3.31Å; S12-S84 VanDerWaalsContact N-O 3.11Å; Y81-S84 WeakPolarHBondContact OH-CB 3.31Å; Y81-S84 PolarHBondContact OH-N 2.97Å; Y81-S84 PolarHBondContact OH-OG 3.44Å; S84-W92 CarbonylContact C-O 3.6Å; S84-W92 WeakPolarHBondContact CA-O 3.39Å; S84-W92 WeakPolarHBondContact CB-O 3.32Å
85Y97.4Very high94.9Very high40 Ų4055 Ų5516%0.15728%0.276CS..EExtended strand (participates in β ladder)trans-136134.1-168.9-55.3-98.5000109.3S12 P16 L19 F20 W92 I94S12-Y85 CarbonylContact O-C 3.47Å; S12-Y85 VanDerWaalsContact O-CA 3.3Å; S12-Y85 WeakPolarHBondContact O-CA 3.44Å; P16-Y85 HydrophobicContact CB-CD2 4.5Å; P16-Y85 HydrophobicContact CB-CG 4.1Å; L19-Y85 HydrophobicContact CD1-CD1 4.11Å; L19-Y85 HydrophobicContact CD1-CE1 3.39Å; F20-Y85 HydrophobicContact CE2-CD2 4.22Å; F20-Y85 AromaticContact CE2-CE2 3.61Å; F20-Y85 HydrophobicContact CE2-CE2 3.61Å; F20-Y85 AromaticContact CE2-CZ 3.82Å; F20-Y85 HydrophobicContact CZ-CE2 4.16Å; Y85-W92 PolarHBondContact N-O 3.2Å; Y85-W92 PolarHBondContact O-N 3.1Å; Y85-I94 HydrophobicContact CD2-CG1 3.8Å; Y85-I94 HydrophobicContact CE2-CG1 3.61Å
86L95.9Very high95Very high22 Ų2256.5 Ų56.512%0.11528%0.278CS..EExtended strand (participates in β ladder)trans-106116.1178.3-177.564.1000110.1A8 H11 S12 L53A8-L86 HydrophobicContact CB-CD2 3.33Å; H11-L86 HydrophobicContact CB-CB 4.13Å; S12-L86 PolarHBondContact O-N 2.6Å; L53-L86 HydrophobicContact CD1-CD1 3.6Å
87K93.8Very high95.2Very high57 Ų5754.6 Ų54.625%0.24826%0.257CS..EExtended strand (participates in β ladder)trans-114.5107.7173.7-176.2177.9-171.6151.10109.5D15 P16 E17 T89 K90D15-K87 WeakPolarHBondContact OD1-CD 3.15Å; D15-K87 WeakPolarHBondContact OD1-CE 3.22Å; D15-K87 IonicContact OD1-NZ 3.05Å; D15-K87 PolarHBondContact OD1-NZ 2.95Å; D15-K87 WeakPolarHBondContact OD2-CE 3.49Å; D15-K87 IonicContact OD2-NZ 2.63Å; D15-K87 PolarHBondContact OD2-NZ 2.83Å; P16-K87 HydrophobicContact CG-CB 4.17Å; P16-K87 HydrophobicContact CG-CD 4.47Å; E17-K87 IonicContact OE2-NZ 2.75Å; E17-K87 PolarHBondContact OE2-NZ 3.11Å; K87-T89 PolarHBondContact O-N 3.09Å; K87-K90 PolarHBondContact N-O 3.07Å; K87-K90 PolarHBondContact O-N 3.42Å
88S91.8Very high95.3Very high112 Ų11249.6 Ų49.678%0.78324%0.244SC*.THydrogen-bonded Turntrans53.3-110.3-171.1-61.40000110.7
89T92.3Very high95.1Very high44 Ų4448.7 Ų48.727%0.2725%0.253SS..THydrogen-bonded Turntrans-102.5-2.817958.90000112.4D52 L53 E54 K87D52-T89 PolarHBondContact OD1-OG1 2.63Å; L53-T89 WeakPolarHBondContact CB-O 3.43Å; L53-T89 WeakPolarHBondContact CG-O 3.36Å; L53-T89 PolarHBondContact N-O 2.92Å; E54-T89 VanDerWaalsContact CD-CG2 3.49Å; E54-T89 HydrophobicContact CG-CG2 3.58Å; E54-T89 WeakPolarHBondContact OE1-CG2 3.39Å; K87-T89 PolarHBondContact O-N 3.09Å
90K95.4Very high94.9Very high81 Ų8150.6 Ų50.635%0.35228%0.279SS..EExtended strand (participates in β ladder)trans-95116-177.4-57.4-59.3-167.31790110.3I50 I51 D52 K87I50-K90 HydrophobicContact CG2-CB 4.1Å; I50-K90 HydrophobicContact CG2-CD 4.37Å; I51-K90 CarbonylContact O-C 3.59Å; I51-K90 VanDerWaalsContact O-CA 3.31Å; I51-K90 WeakPolarHBondContact O-CA 3.32Å; D52-K90 HydrophobicContact CB-CD 3.98Å; D52-K90 VanDerWaalsContact CG-NZ 3.26Å; D52-K90 WeakPolarHBondContact OD2-CE 3.45Å; D52-K90 IonicContact OD2-NZ 3.9Å; D52-K90 PolarHBondContact OD2-NZ 3.05Å; K87-K90 PolarHBondContact N-O 3.07Å; K87-K90 PolarHBondContact O-N 3.42Å
91L96.6Very high94.4Very high0 Ų047.4 Ų47.40%028%0.284CS..EExtended strand (participates in β ladder)trans-87.1122.8170-178.866.6000109.7F7 H11 I50 I51 L53 I63 I67 I93F7-L91 HydrophobicContact CE1-CD2 3.85Å; F7-L91 HydrophobicContact CZ-CD2 3.63Å; H11-L91 HydrophobicContact CB-CD1 4.16Å; I50-L91 WeakPolarHBondContact CA-O 3.48Å; I51-L91 HydrophobicContact CB-CB 4.4Å; I51-L91 PolarHBondContact N-O 3.29Å; I51-L91 PolarHBondContact O-N 3.01Å; L53-L91 HydrophobicContact CD1-CB 4.21Å; L53-L91 HydrophobicContact CD2-CB 3.97Å; L53-L91 HydrophobicContact CD2-CD2 4.3Å; L53-L91 HydrophobicContact CG-CB 4.1Å; I63-L91 HydrophobicContact CG2-CD2 4.09Å; I67-L91 HydrophobicContact CD1-CD2 3.78Å; L91-I93 HydrophobicContact CD2-CD1 4.3Å; L91-I93 HydrophobicContact CD2-CG1 4.29Å; L91-I93 HydrophobicContact CG-CG1 4.22Å
92W97.7Very high93.8Very high7 Ų747.5 Ų47.53%0.02729%0.292CS..EExtended strand (participates in β ladder)trans-101.1125.7173.8-70.151.8000108.7P16 E17 K22 I48 K49 I50 S84 Y85 I94P16-W92 HydrophobicContact CB-CB 4.27Å; P16-W92 HydrophobicContact CB-CD2 3.73Å; P16-W92 HydrophobicContact CB-CE3 3.63Å; P16-W92 HydrophobicContact CB-CG 4.02Å; P16-W92 HydrophobicContact CB-CZ3 4.2Å; P16-W92 HydrophobicContact CG-CB 4.24Å; P16-W92 HydrophobicContact CG-CD2 3.5Å; P16-W92 HydrophobicContact CG-CE3 3.92Å; P16-W92 HydrophobicContact CG-CG 3.64Å; P16-W92 HydrophobicContact CG-CZ2 4.32Å; P16-W92 HydrophobicContact CG-CZ3 4.47Å; E17-W92 HydrophobicContact CG-CH2 3.62Å; E17-W92 HydrophobicContact CG-CZ2 3.9Å; E17-W92 HydrophobicContact CG-CZ3 4.48Å; K22-W92 HydrophobicContact CB-CH2 4.26Å; K22-W92 HydrophobicContact CD-CH2 4.23Å; I48-W92 HydrophobicContact CD1-CE3 4.44Å; I48-W92 HydrophobicContact CD1-CZ3 4.06Å; I48-W92 HydrophobicContact CG2-CD2 4.02Å; I48-W92 HydrophobicContact CG2-CE3 3.32Å; I48-W92 HydrophobicContact CG2-CZ3 3.76Å; K49-W92 WeakPolarHBondContact O-CA 3.36Å; I50-W92 HydrophobicContact CD1-CD2 4.06Å; I50-W92 HydrophobicContact CD1-CE3 4.42Å; I50-W92 HydrophobicContact CD1-CH2 4.11Å; I50-W92 HydrophobicContact CD1-CZ2 3.71Å; I50-W92 HydrophobicContact CD1-CZ3 4.45Å; I50-W92 HydrophobicContact CG1-CD2 4.09Å; I50-W92 HydrophobicContact CG1-CG 4.28Å; S84-W92 CarbonylContact C-O 3.6Å; S84-W92 WeakPolarHBondContact CA-O 3.39Å; S84-W92 WeakPolarHBondContact CB-O 3.32Å; Y85-W92 PolarHBondContact N-O 3.2Å; Y85-W92 PolarHBondContact O-N 3.1Å; W92-I94 HydrophobicContact CB-CD1 4.44Å; W92-I94 HydrophobicContact CE3-CD1 4.36Å
93I96.7Very high93.2Very high7 Ų747.4 Ų47.44%0.03631%0.308CS..EExtended strand (participates in β ladder)trans-114.5119.3174.1-56.9171.1000107K49 I51 I67 Y81 L91K49-I93 HydrophobicContact CB-CB 4.26Å; K49-I93 HydrophobicContact CD-CD1 4.43Å; K49-I93 PolarHBondContact N-O 3.09Å; K49-I93 PolarHBondContact O-N 3.45Å; I51-I93 HydrophobicContact CD1-CD1 3.93Å; I67-I93 HydrophobicContact CD1-CD1 3.79Å; I67-I93 HydrophobicContact CD1-CG1 4.26Å; I67-I93 HydrophobicContact CG1-CD1 3.82Å; I67-I93 HydrophobicContact CG1-CG1 4.5Å; Y81-I93 HydrophobicContact CD2-CG2 4.08Å; Y81-I93 HydrophobicContact CE2-CG2 3.99Å; L91-I93 HydrophobicContact CD2-CD1 4.3Å; L91-I93 HydrophobicContact CD2-CG1 4.29Å; L91-I93 HydrophobicContact CG-CG1 4.22Å
94I97.6Very high92.5Very high1 Ų154.5 Ų54.51%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-101.1124.7-177.5-45.3-58.5000108.4F20 V46 I48 F82 G83 Y85 W92F20-I94 HydrophobicContact CD1-CG2 4.21Å; F20-I94 HydrophobicContact CD2-CD1 3.88Å; F20-I94 HydrophobicContact CD2-CG1 4.12Å; F20-I94 HydrophobicContact CE1-CG1 4.37Å; F20-I94 HydrophobicContact CE1-CG2 3.7Å; F20-I94 HydrophobicContact CE2-CD1 4.02Å; F20-I94 HydrophobicContact CE2-CG1 3.71Å; F20-I94 HydrophobicContact CG-CD1 4.18Å; F20-I94 HydrophobicContact CZ-CB 4.36Å; F20-I94 HydrophobicContact CZ-CD1 4.42Å; F20-I94 HydrophobicContact CZ-CG1 3.86Å; F20-I94 HydrophobicContact CZ-CG2 3.9Å; V46-I94 HydrophobicContact CB-CG2 4.06Å; V46-I94 HydrophobicContact CG1-CG2 4.22Å; V46-I94 HydrophobicContact CG2-CG2 4.17Å; I48-I94 HydrophobicContact CB-CD1 4.42Å; I48-I94 HydrophobicContact CG1-CD1 4.05Å; I48-I94 HydrophobicContact CG2-CD1 3.99Å; F82-I94 HydrophobicContact CB-CB 4.27Å; F82-I94 HydrophobicContact CB-CG2 4.19Å; F82-I94 HydrophobicContact CD2-CG2 4.07Å; F82-I94 PolarHBondContact N-O 2.93Å; G83-I94 PolarHBondContact N-O 3.36Å; G83-I94 PolarHBondContact O-N 3.25Å; Y85-I94 HydrophobicContact CD2-CG1 3.8Å; Y85-I94 HydrophobicContact CE2-CG1 3.61Å; W92-I94 HydrophobicContact CB-CD1 4.44Å; W92-I94 HydrophobicContact CE3-CD1 4.36Å
95M95.8Very high91.2Very high30 Ų3060 Ų6015%0.14837%0.372CS..EExtended strand (participates in β ladder)trans-142.7166.6-176.663.8-165.4167.500111.5V34 A47 K49 R80V34-M95 HydrophobicContact CG1-CE 3.95Å; A47-M95 HydrophobicContact CB-CE 3.79Å; A47-M95 HydrophobicContact CB-CG 3.76Å; A47-M95 PolarHBondContact N-O 3.45Å; A47-M95 PolarHBondContact O-N 3.35Å; K49-M95 HydrophobicContact CB-CE 3.99Å; R80-M95 CarbonylContact O-C 3.55Å; R80-M95 VanDerWaalsContact O-CA 3.23Å; R80-M95 WeakPolarHBondContact O-CA 3.12Å; R80-M95 WeakPolarHBondContact O-CB 3.37Å
96E96.1Very high89.5Confident69 Ų6967.7 Ų67.732%0.32241%0.414SS..EExtended strand (participates in β ladder)trans-57.2136.1174.2178.5177.3-160.300111.7T79 R80 F82 L98T79-E96 PolarHBondContact OG1-O 2.87Å; R80-E96 HydrophobicContact CB-CB 4.13Å; R80-E96 PolarHBondContact N-OE2 3.22Å; R80-E96 PolarHBondContact O-N 2.84Å; F82-E96 HydrophobicContact CE2-CB 4.4Å; F82-E96 HydrophobicContact CZ-CB 4.49Å; E96-L98 HydrophobicContact CG-CD2 4.2Å
97Y96.3Very high89.1Confident73 Ų7370 Ų7029%0.28643%0.429SS..  trans-86.7114.1175.4176.1-109.9000111.4I26 K36 V45 A47I26-Y97 HydrophobicContact CD1-CD2 3.95Å; I26-Y97 HydrophobicContact CD1-CE2 3.62Å; K36-Y97 HydrophobicContact CG-CE2 4.36Å; V45-Y97 HydrophobicContact CB-CD1 4.39Å; V45-Y97 HydrophobicContact CG1-CD1 3.52Å; V45-Y97 HydrophobicContact CG1-CE1 4.17Å; V45-Y97 HydrophobicContact CG1-CG 3.75Å; A47-Y97 HydrophobicContact CB-CD2 4.4Å
98L93.3Very high88.9Confident108 Ų10870.7 Ų70.757%0.56544%0.439SS*.  trans-98.191.2174.7-59.4177.9000110.1E96 G100 G101E96-L98 HydrophobicContact CG-CD2 4.2Å; L98-G100 PolarHBondContact O-N 2.81Å; L98-G100 VanDerWaalsContact O-N 3.09Å; L98-G101 PolarHBondContact O-N 3.24Å
99G88.9Confident88.7Confident54 Ų5468.4 Ų68.456%0.55742%0.42SS*.THydrogen-bonded Turntrans-67-8.6-174.700000116.1G101G99-G101 VanDerWaalsContact C-N 3.27Å; G99-G101 PolarHBondContact O-N 3.05Å
100G87.7Confident88.5Confident74 Ų7469.8 Ų69.876%0.76343%0.429SS*.THydrogen-bonded Turntrans-76-8.617800000115L98L98-G100 PolarHBondContact O-N 2.81Å; L98-G100 VanDerWaalsContact O-N 3.09Å
101G83.8Confident88.1Confident54 Ų5469.1 Ų69.156%0.55743%0.434SS*.  trans73.1-175.8-174.600000112.9L98 G99L98-G101 PolarHBondContact O-N 3.24Å; G99-G101 VanDerWaalsContact C-N 3.27Å; G99-G101 PolarHBondContact O-N 3.05Å
102S83.4Confident87.5Confident55 Ų5573.7 Ų73.739%0.38546%0.462SS..  trans-87.2156.1175.878.60000111.1L104 D105S102-L104 PolarHBondContact O-N 2.64Å; S102-L104 VanDerWaalsContact O-N 3.17Å; S102-L104 PolarHBondContact OG-N 3.17Å; S102-D105 WeakPolarHBondContact CA-OD2 3.49Å; S102-D105 VanDerWaalsContact CB-OD2 3.31Å; S102-D105 WeakPolarHBondContact CB-OD2 3.41Å; S102-D105 PolarHBondContact N-OD2 3.34Å; S102-D105 WeakPolarHBondContact O-CB 3.31Å; S102-D105 PolarHBondContact O-N 2.99Å; S102-D105 PolarHBondContact OG-N 3.39Å; S102-D105 PolarHBondContact OG-OD2 3.38Å
103A84.8Confident86.8Confident88 Ų8878.5 Ų78.573%0.72749%0.494SS*.G310 helixtrans-63.1-19173.200000113.2D105A103-D105 VanDerWaalsContact C-N 3.29Å
104L80.1Confident86Confident160 Ų16084 Ų8484%0.83853%0.529SS*.G310 helixtrans-74.9-21.4174.4-17466.5000112S102 L106S102-L104 PolarHBondContact O-N 2.64Å; S102-L104 VanDerWaalsContact O-N 3.17Å; S102-L104 PolarHBondContact OG-N 3.17Å; L104-L106 VanDerWaalsContact C-N 3.27Å
105D70.8Confident85.1Confident124 Ų12490.9 Ų90.966%0.66357%0.572SS**G310 helixtrans-82.5-3178.9-56.4-50000112.9S102 A103S102-D105 WeakPolarHBondContact CA-OD2 3.49Å; S102-D105 VanDerWaalsContact CB-OD2 3.31Å; S102-D105 WeakPolarHBondContact CB-OD2 3.41Å; S102-D105 PolarHBondContact N-OD2 3.34Å; S102-D105 WeakPolarHBondContact O-CB 3.31Å; S102-D105 PolarHBondContact O-N 2.99Å; S102-D105 PolarHBondContact OG-N 3.39Å; S102-D105 PolarHBondContact OG-OD2 3.38Å; A103-D105 VanDerWaalsContact C-N 3.29Å
106L59.8Low84.1Confident202 Ų20296.5 Ų96.5100%1.05861%0.611SS**  trans-100.30179-66.8174000111.8L104L104-L106 VanDerWaalsContact C-N 3.27Å

Retrieved 106 of 106 residues in 228.9 ms (Link to these results)

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