A0A087YFR8_POEFO Loading...

Vascular endothelial growth factor D

AlphaFold DB , UniProt , Accession A0A087YFR8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 272 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
1R67.9Low81Confident239 Ų239116.5 Ų116.590%0.90250%0.497SS*.  0-64.80-146.5-178.3-158.9161.86.9112.5Q3 W4 E5R1-Q3 VanDerWaalsContact C-N 3.33Å; R1-Q3 PolarHBondContact O-N 3.27Å; R1-W4 PolarHBondContact O-N 3.27Å; R1-W4 VanDerWaalsContact O-N 3.14Å; R1-E5 WeakPolarHBondContact CG-OE1 3.49Å; R1-E5 WeakPolarHBondContact O-CG 3.4Å; R1-E5 PolarHBondContact O-N 3.26Å
2R77.1Confident81.3Confident209 Ų209112 Ų11279%0.78949%0.492SS*.Hα-helixtrans-57.2-37.7-178.8-66.2-176.8-179.4-179.10.3114.9K6R2-K6 WeakPolarHBondContact O-CG 3.14Å; R2-K6 PolarHBondContact O-N 3.49Å; R2-K6 VanDerWaalsContact O-N 3.13Å
3Q81.1Confident81.6Confident144 Ų144105.4 Ų105.467%0.67347%0.468SS*.Hα-helixtrans-67.8-43.5176.8-176.8176.3-2.300112.1R1 K6 Q7R1-Q3 VanDerWaalsContact C-N 3.33Å; R1-Q3 PolarHBondContact O-N 3.27Å; Q3-K6 WeakPolarHBondContact O-CB 3.39Å; Q3-K6 PolarHBondContact O-N 2.97Å; Q3-Q7 WeakPolarHBondContact O-CG 3.23Å; Q3-Q7 PolarHBondContact O-N 2.78Å
4W82.3Confident81.9Confident122 Ų12298.2 Ų98.246%0.46244%0.437SS..Hα-helixtrans-63.6-43.2176.3-177.889.3000111.7R1 K6 Q7 V8 L20 T21R1-W4 PolarHBondContact O-N 3.27Å; R1-W4 VanDerWaalsContact O-N 3.14Å; W4-K6 VanDerWaalsContact C-N 3.28Å; W4-K6 PolarHBondContact O-N 2.93Å; W4-Q7 PolarHBondContact O-N 2.86Å; W4-Q7 VanDerWaalsContact O-N 3.11Å; W4-V8 HydrophobicContact CD2-CG2 3.87Å; W4-V8 HydrophobicContact CE3-CG2 3.97Å; W4-V8 HydrophobicContact CH2-CG2 3.72Å; W4-V8 HydrophobicContact CZ2-CG2 3.6Å; W4-V8 HydrophobicContact CZ3-CG2 3.9Å; W4-V8 WeakPolarHBondContact O-CG2 2.98Å; W4-V8 PolarHBondContact O-N 2.01Å; W4-L20 PolarHBondContact NE1-O 2.86Å; W4-L20 VanDerWaalsContact NE1-O 3.16Å; W4-T21 HydrophobicContact CZ2-CG2 4.17Å
5E81Confident81.9Confident81 Ų8193.5 Ų93.538%0.37942%0.417SS..Hα-helixtrans-59-40174.8-72.5165.6-174.100112R1 R9R1-E5 WeakPolarHBondContact CG-OE1 3.49Å; R1-E5 WeakPolarHBondContact O-CG 3.4Å; R1-E5 PolarHBondContact O-N 3.26Å; E5-R9 VanDerWaalsContact O-CG 3.32Å; E5-R9 WeakPolarHBondContact O-CG 3.47Å; E5-R9 PolarHBondContact O-N 3.16Å; E5-R9 VanDerWaalsContact O-N 3.1Å
6K81.4Confident82.1Confident156 Ų15691.3 Ų91.368%0.67841%0.408SS*.Hα-helixtrans-64-45.5173.5-74.1179178.1-167.30111.6R2 Q3 W4 V8 R9 S10R2-K6 WeakPolarHBondContact O-CG 3.14Å; R2-K6 PolarHBondContact O-N 3.49Å; R2-K6 VanDerWaalsContact O-N 3.13Å; Q3-K6 WeakPolarHBondContact O-CB 3.39Å; Q3-K6 PolarHBondContact O-N 2.97Å; W4-K6 VanDerWaalsContact C-N 3.28Å; W4-K6 PolarHBondContact O-N 2.93Å; K6-V8 PolarHBondContact O-N 2.79Å; K6-R9 PolarHBondContact O-N 2.99Å; K6-S10 WeakPolarHBondContact O-CB 3.49Å; K6-S10 PolarHBondContact O-N 2.84Å; K6-S10 PolarHBondContact O-OG 3.47Å; K6-S10 VanDerWaalsContact O-OG 3.08Å
7Q82.5Confident82.4Confident74 Ų7488.2 Ų88.235%0.34640%0.396SS..Hα-helixtrans-62.4-40.4179.3-72.7171.8-48.500112.5Q3 W4 S10 S11 L20Q3-Q7 WeakPolarHBondContact O-CG 3.23Å; Q3-Q7 PolarHBondContact O-N 2.78Å; W4-Q7 PolarHBondContact O-N 2.86Å; W4-Q7 VanDerWaalsContact O-N 3.11Å; Q7-S10 WeakPolarHBondContact CA-OG 3.1Å; Q7-S10 PolarHBondContact O-N 3.46Å; Q7-S10 PolarHBondContact O-OG 2.96Å; Q7-S11 PolarHBondContact O-N 3.42Å; Q7-L20 HydrophobicContact CB-CD1 4.09Å; Q7-L20 HydrophobicContact CB-CD2 4.09Å; Q7-L20 WeakPolarHBondContact O-CD1 2.83Å
8V85.4Confident82.5Confident40 Ų4083.8 Ų83.824%0.24238%0.377CS..Hα-helixtrans-64.3-45.7175.3170.30000110.8W4 K6 S10 S11 L17W4-V8 HydrophobicContact CD2-CG2 3.87Å; W4-V8 HydrophobicContact CE3-CG2 3.97Å; W4-V8 HydrophobicContact CH2-CG2 3.72Å; W4-V8 HydrophobicContact CZ2-CG2 3.6Å; W4-V8 HydrophobicContact CZ3-CG2 3.9Å; W4-V8 WeakPolarHBondContact O-CG2 2.98Å; W4-V8 PolarHBondContact O-N 2.01Å; K6-V8 PolarHBondContact O-N 2.79Å; V8-S10 VanDerWaalsContact C-N 3.35Å; V8-S10 PolarHBondContact O-N 3.43Å; V8-S11 WeakPolarHBondContact O-CB 2.92Å; V8-S11 PolarHBondContact O-N 3.45Å; V8-S11 PolarHBondContact O-OG 2.98Å; V8-L17 HydrophobicContact CG1-CD1 3.92Å; V8-L17 HydrophobicContact CG2-CD1 4.42Å
9R82.5Confident82.4Confident161 Ų16185.7 Ų85.761%0.60838%0.381SS*.Hα-helixtrans-62.6-41.1176.7-72.5176.2-173.9-107.6-3.9112.2E5 K6 S11 N117 E119E5-R9 VanDerWaalsContact O-CG 3.32Å; E5-R9 WeakPolarHBondContact O-CG 3.47Å; E5-R9 PolarHBondContact O-N 3.16Å; E5-R9 VanDerWaalsContact O-N 3.1Å; K6-R9 PolarHBondContact O-N 2.99Å; R9-S11 VanDerWaalsContact C-N 3.31Å; R9-S11 PolarHBondContact O-N 2.05Å; R9-N117 CarbonylContact O-C 3.47Å; R9-E119 IonicContact CZ-OE1 2.96Å; R9-E119 IonicContact NH1-OE1 2.7Å; R9-E119 PolarHBondContact NH1-OE1 3.3Å
10S84Confident82.5Confident53 Ų5383.4 Ų83.437%0.37137%0.372SS..Hα-helixtrans-80.7-8.7-177.966.10000114.4K6 Q7 V8 S12K6-S10 WeakPolarHBondContact O-CB 3.49Å; K6-S10 PolarHBondContact O-N 2.84Å; K6-S10 PolarHBondContact O-OG 3.47Å; K6-S10 VanDerWaalsContact O-OG 3.08Å; Q7-S10 WeakPolarHBondContact CA-OG 3.1Å; Q7-S10 PolarHBondContact O-N 3.46Å; Q7-S10 PolarHBondContact O-OG 2.96Å; V8-S10 VanDerWaalsContact C-N 3.35Å; V8-S10 PolarHBondContact O-N 3.43Å; S10-S12 PolarHBondContact O-N 3.3Å
11S86.2Confident82.4Confident2 Ų282.4 Ų82.41%0.01437%0.372CS..  trans-55.5138.9-177.863.60000110.6Q7 V8 R9 W76 N117Q7-S11 PolarHBondContact O-N 3.42Å; V8-S11 WeakPolarHBondContact O-CB 2.92Å; V8-S11 PolarHBondContact O-N 3.45Å; V8-S11 PolarHBondContact O-OG 2.98Å; R9-S11 VanDerWaalsContact C-N 3.31Å; R9-S11 PolarHBondContact O-N 2.05Å; S11-W76 WeakPolarHBondContact O-CZ2 3.02Å; S11-N117 WeakPolarHBondContact O-CB 3.46Å; S11-N117 PolarHBondContact O-ND2 3.34Å; S11-N117 PolarHBondContact O-OD1 2.81Å
12S84Confident82.4Confident63 Ų6377.9 Ų77.944%0.44137%0.366SS..  trans-104.8-10.8-168.263.50000114.7S10 E16 W76 N117S10-S12 PolarHBondContact O-N 3.3Å; S12-E16 WeakPolarHBondContact CB-OE2 3.48Å; S12-E16 PolarHBondContact N-OE2 3.32Å; S12-E16 PolarHBondContact OG-OE2 3.47Å; S12-W76 PolarHBondContact O-NE1 3.37Å; S12-N117 WeakPolarHBondContact CA-ND2 3.45Å
13S85.8Confident82.1Confident26 Ų2669.1 Ų69.118%0.18233%0.334CS..SBendtrans-155.6159.1-175.853.60000110.1D15 E16 L17S13-D15 PolarHBondContact O-N 3.35Å; S13-E16 PolarHBondContact O-N 3.13Å; S13-E16 WeakPolarHBondContact OG-CB 3.36Å; S13-E16 PolarHBondContact OG-N 2.92Å; S13-L17 PolarHBondContact O-N 2.95Å; S13-L17 VanDerWaalsContact O-N 3.11Å
14L84.9Confident81.3Confident5 Ų565.5 Ų65.53%0.02632%0.323CS..Hα-helixtrans-59.1-38171.9-173.653.7000111.2E16 L17 L18 W29 L69 V72 E73L14-E16 VanDerWaalsContact C-N 3.31Å; L14-E16 PolarHBondContact O-N 3.46Å; L14-L17 HydrophobicContact CD1-CD2 4.31Å; L14-L17 WeakPolarHBondContact O-CB 3.34Å; L14-L17 PolarHBondContact O-N 3.39Å; L14-L17 VanDerWaalsContact O-N 3.16Å; L14-L18 HydrophobicContact CD1-CD1 4.42Å; L14-L18 HydrophobicContact CD1-CD2 4.29Å; L14-L18 HydrophobicContact CD1-CG 4.05Å; L14-L18 HydrophobicContact CG-CD1 4.01Å; L14-L18 HydrophobicContact CG-CG 4.11Å; L14-L18 WeakPolarHBondContact O-CB 3.49Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.32Å; L14-L18 PolarHBondContact O-N 3.4Å; L14-W29 HydrophobicContact CB-CH2 4.48Å; L14-W29 HydrophobicContact CD2-CH2 3.48Å; L14-W29 VanDerWaalsContact CD2-CH2 3.48Å; L14-W29 HydrophobicContact CD2-CZ2 3.75Å; L14-W29 HydrophobicContact CD2-CZ3 4.39Å; L14-W29 HydrophobicContact CG-CH2 3.97Å; L14-W29 HydrophobicContact CG-CZ3 4.47Å; L14-L69 HydrophobicContact CD2-CB 4.41Å; L14-L69 HydrophobicContact CD2-CD2 4.4Å; L14-L69 WeakPolarHBondContact CD2-O 3.34Å; L14-V72 HydrophobicContact CD1-CG1 3.77Å; L14-V72 HydrophobicContact CD2-CB 4.03Å; L14-V72 HydrophobicContact CD2-CG1 3.93Å; L14-V72 HydrophobicContact CG-CG1 4.41Å; L14-E73 WeakPolarHBondContact CB-OE2 3.24Å; L14-E73 HydrophobicContact CD2-CB 3.95Å
15D81.7Confident80.6Confident28 Ų2865 Ų6515%0.1533%0.329CS..Hα-helixtrans-57.1-41.2175.7-77.3-15.5000113.7S13 R19 W29 K30S13-D15 PolarHBondContact O-N 3.35Å; D15-R19 WeakPolarHBondContact O-CB 3.37Å; D15-R19 WeakPolarHBondContact O-CG 3.23Å; D15-R19 PolarHBondContact O-N 2.99Å; D15-R19 PolarHBondContact O-NE 3.34Å; D15-W29 WeakPolarHBondContact OD1-CZ3 3.24Å; D15-K30 WeakPolarHBondContact OD1-CD 3.44Å; D15-K30 WeakPolarHBondContact OD2-CD 3.28Å; D15-K30 VanDerWaalsContact OD2-CE 3.24Å; D15-K30 WeakPolarHBondContact OD2-CE 3.48Å; D15-K30 IonicContact OD2-NZ 2.93Å; D15-K30 PolarHBondContact OD2-NZ 2.99Å
16E86.4Confident80Confident58 Ų5863.5 Ų63.527%0.27132%0.32SS..Hα-helixtrans-69.4-43.1176.6-170.8179.2176.100110.6S12 S13 L14 R19 L20S12-E16 WeakPolarHBondContact CB-OE2 3.48Å; S12-E16 PolarHBondContact N-OE2 3.32Å; S12-E16 PolarHBondContact OG-OE2 3.47Å; S13-E16 PolarHBondContact O-N 3.13Å; S13-E16 WeakPolarHBondContact OG-CB 3.36Å; S13-E16 PolarHBondContact OG-N 2.92Å; L14-E16 VanDerWaalsContact C-N 3.31Å; L14-E16 PolarHBondContact O-N 3.46Å; E16-R19 PolarHBondContact O-N 3.37Å; E16-L20 HydrophobicContact CG-CD1 4.08Å; E16-L20 WeakPolarHBondContact O-CB 3.39Å; E16-L20 VanDerWaalsContact O-CG 3.28Å; E16-L20 WeakPolarHBondContact O-CG 3.42Å; E16-L20 PolarHBondContact O-N 3.1Å
17L86.9Confident79.5Confident39 Ų3958.7 Ų58.720%0.20430%0.299CS..Hα-helixtrans-62.2-45.1177.7-178.363.6000112.5V8 S13 L14 R19 L20 T21 W76V8-L17 HydrophobicContact CG1-CD1 3.92Å; V8-L17 HydrophobicContact CG2-CD1 4.42Å; S13-L17 PolarHBondContact O-N 2.95Å; S13-L17 VanDerWaalsContact O-N 3.11Å; L14-L17 HydrophobicContact CD1-CD2 4.31Å; L14-L17 WeakPolarHBondContact O-CB 3.34Å; L14-L17 PolarHBondContact O-N 3.39Å; L14-L17 VanDerWaalsContact O-N 3.16Å; L17-R19 VanDerWaalsContact C-N 3.3Å; L17-R19 PolarHBondContact O-N 3.42Å; L17-L20 PolarHBondContact O-N 2.93Å; L17-T21 HydrophobicContact CD1-CG2 4.24Å; L17-T21 WeakPolarHBondContact O-CB 3.44Å; L17-T21 WeakPolarHBondContact O-CG2 3.29Å; L17-T21 PolarHBondContact O-N 2.96Å; L17-T21 PolarHBondContact O-OG1 2.7Å; L17-W76 HydrophobicContact CD2-CZ3 4.1Å
18L83.6Confident78.7Confident8 Ų857.5 Ų57.54%0.04230%0.295CS..Hα-helixtrans-63.7-36.5177.8-67.7178.7000111.7L14 T21 D22 F23 W26 W29 L69L14-L18 HydrophobicContact CD1-CD1 4.42Å; L14-L18 HydrophobicContact CD1-CD2 4.29Å; L14-L18 HydrophobicContact CD1-CG 4.05Å; L14-L18 HydrophobicContact CG-CD1 4.01Å; L14-L18 HydrophobicContact CG-CG 4.11Å; L14-L18 WeakPolarHBondContact O-CB 3.49Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.32Å; L14-L18 PolarHBondContact O-N 3.4Å; L18-T21 WeakPolarHBondContact CA-OG1 3.35Å; L18-T21 PolarHBondContact O-OG1 2.98Å; L18-D22 PolarHBondContact O-N 3.22Å; L18-F23 HydrophobicContact CB-CB 4.05Å; L18-F23 HydrophobicContact CD2-CB 3.8Å; L18-F23 HydrophobicContact CD2-CD1 3.95Å; L18-F23 HydrophobicContact CD2-CD2 4.08Å; L18-F23 HydrophobicContact CD2-CG 3.67Å; L18-F23 WeakPolarHBondContact O-CB 3.28Å; L18-F23 PolarHBondContact O-N 3.35Å; L18-W26 HydrophobicContact CB-CB 3.96Å; L18-W26 HydrophobicContact CD1-CB 4.44Å; L18-W29 HydrophobicContact CD1-CD2 4.12Å; L18-W29 HydrophobicContact CD1-CE3 3.47Å; L18-W29 VanDerWaalsContact CD1-CE3 3.47Å; L18-W29 HydrophobicContact CD1-CH2 4.19Å; L18-W29 HydrophobicContact CD1-CZ3 3.53Å; L18-L69 HydrophobicContact CD2-CD2 4.17Å
19R80.8Confident78Confident120 Ų12056 Ų5645%0.45329%0.285SS..Hα-helixtrans-67-43.3172.5-78179.8-78.3177.5-0.5112.5D15 E16 L17 T21 D22 W26D15-R19 WeakPolarHBondContact O-CB 3.37Å; D15-R19 WeakPolarHBondContact O-CG 3.23Å; D15-R19 PolarHBondContact O-N 2.99Å; D15-R19 PolarHBondContact O-NE 3.34Å; E16-R19 PolarHBondContact O-N 3.37Å; L17-R19 VanDerWaalsContact C-N 3.3Å; L17-R19 PolarHBondContact O-N 3.42Å; R19-T21 VanDerWaalsContact C-N 3.25Å; R19-T21 PolarHBondContact O-N 3.13Å; R19-D22 PolarHBondContact O-N 2.96Å; R19-W26 HydrophobicContact CG-CD2 3.81Å; R19-W26 HydrophobicContact CG-CE3 4.02Å; R19-W26 HydrophobicContact CG-CH2 3.8Å; R19-W26 HydrophobicContact CG-CZ2 3.55Å; R19-W26 HydrophobicContact CG-CZ3 4.01Å
20L84.1Confident77.5Confident40 Ų4050 Ų5021%0.20926%0.263CS..Hα-helixtrans-69.1-22.2-179.2-74.1170.3000113.9W4 Q7 E16 L17W4-L20 PolarHBondContact NE1-O 2.86Å; W4-L20 VanDerWaalsContact NE1-O 3.16Å; Q7-L20 HydrophobicContact CB-CD1 4.09Å; Q7-L20 HydrophobicContact CB-CD2 4.09Å; Q7-L20 WeakPolarHBondContact O-CD1 2.83Å; E16-L20 HydrophobicContact CG-CD1 4.08Å; E16-L20 WeakPolarHBondContact O-CB 3.39Å; E16-L20 VanDerWaalsContact O-CG 3.28Å; E16-L20 WeakPolarHBondContact O-CG 3.42Å; E16-L20 PolarHBondContact O-N 3.1Å; L17-L20 PolarHBondContact O-N 2.93Å
21T80.3Confident77Confident62 Ų6247.9 Ų47.938%0.3825%0.248SC..THydrogen-bonded Turntrans-96.93.1179.951.20000112.8W4 L17 L18 R19 F23W4-T21 HydrophobicContact CZ2-CG2 4.17Å; L17-T21 HydrophobicContact CD1-CG2 4.24Å; L17-T21 WeakPolarHBondContact O-CB 3.44Å; L17-T21 WeakPolarHBondContact O-CG2 3.29Å; L17-T21 PolarHBondContact O-N 2.96Å; L17-T21 PolarHBondContact O-OG1 2.7Å; L18-T21 WeakPolarHBondContact CA-OG1 3.35Å; L18-T21 PolarHBondContact O-OG1 2.98Å; R19-T21 VanDerWaalsContact C-N 3.25Å; R19-T21 PolarHBondContact O-N 3.13Å; T21-F23 PolarHBondContact O-N 2.91Å
22D69.3Low76.1Confident145 Ų14553 Ų5378%0.77527%0.267SS*.THydrogen-bonded Turntrans49.341.9-171.5-66.7-43.8000112L18 R19L18-D22 PolarHBondContact O-N 3.22Å; R19-D22 PolarHBondContact O-N 2.96Å
23F69.9Low75.5Confident25 Ų2551.9 Ų51.911%0.1126%0.256CS..  trans-60.4123.7-178.7-173.2-98.3000109.6L18 T21 D25 W26 Y64 L69L18-F23 HydrophobicContact CB-CB 4.05Å; L18-F23 HydrophobicContact CD2-CB 3.8Å; L18-F23 HydrophobicContact CD2-CD1 3.95Å; L18-F23 HydrophobicContact CD2-CD2 4.08Å; L18-F23 HydrophobicContact CD2-CG 3.67Å; L18-F23 WeakPolarHBondContact O-CB 3.28Å; L18-F23 PolarHBondContact O-N 3.35Å; T21-F23 PolarHBondContact O-N 2.91Å; F23-D25 PolarHBondContact O-N 3.14Å; F23-W26 HydrophobicContact CB-CB 4.43Å; F23-W26 HydrophobicContact CD1-CB 4.23Å; F23-W26 PolarHBondContact O-N 3.02Å; F23-Y64 HydrophobicContact CD2-CD2 4.45Å; F23-Y64 AromaticContact CE2-CD2 3.47Å; F23-Y64 HydrophobicContact CE2-CD2 3.47Å; F23-Y64 VanDerWaalsContact CE2-CD2 3.47Å; F23-Y64 AromaticContact CE2-CE2 3.86Å; F23-Y64 HydrophobicContact CE2-CE2 3.86Å; F23-Y64 AromaticContact CZ-CD2 3.92Å; F23-Y64 HydrophobicContact CZ-CD2 3.92Å; F23-L69 HydrophobicContact CE1-CD1 4.13Å; F23-L69 HydrophobicContact CZ-CD1 4.23Å
24P64.8Low74.8Confident67 Ų6754.9 Ų54.944%0.43527%0.266SS..THydrogen-bonded Turntrans-59.9139.4-178.624.6-33.2000109.5W26P24-W26 PolarHBondContact O-N 3.1Å; P24-W26 VanDerWaalsContact O-N 3.1Å
25D66.1Low73.9Confident111 Ų11158.5 Ų58.559%0.59429%0.285SS*.THydrogen-bonded Turntrans6120.6173.6-57.4-31.9000115.2F23 K27 L28 W29F23-D25 PolarHBondContact O-N 3.14Å; D25-K27 PolarHBondContact O-N 3.44Å; D25-K27 VanDerWaalsContact O-N 3.13Å; D25-L28 HydrophobicContact CB-CB 4.15Å; D25-L28 HydrophobicContact CB-CD1 3.87Å; D25-L28 HydrophobicContact CB-CG 4.37Å; D25-L28 WeakPolarHBondContact O-CA 3.45Å; D25-L28 WeakPolarHBondContact O-CB 3.44Å; D25-L28 PolarHBondContact O-N 3.44Å; D25-W29 PolarHBondContact O-N 2.89Å
26W69.4Low72.8Confident50 Ų5059.7 Ų59.719%0.18929%0.29CS..Hα-helixtrans-54.5-35178.174.9-93.2000112.9L18 R19 F23 P24 W29 K30 V231L18-W26 HydrophobicContact CB-CB 3.96Å; L18-W26 HydrophobicContact CD1-CB 4.44Å; R19-W26 HydrophobicContact CG-CD2 3.81Å; R19-W26 HydrophobicContact CG-CE3 4.02Å; R19-W26 HydrophobicContact CG-CH2 3.8Å; R19-W26 HydrophobicContact CG-CZ2 3.55Å; R19-W26 HydrophobicContact CG-CZ3 4.01Å; F23-W26 HydrophobicContact CB-CB 4.43Å; F23-W26 HydrophobicContact CD1-CB 4.23Å; F23-W26 PolarHBondContact O-N 3.02Å; P24-W26 PolarHBondContact O-N 3.1Å; P24-W26 VanDerWaalsContact O-N 3.1Å; W26-W29 PolarHBondContact O-N 2.98Å; W26-K30 HydrophobicContact CZ3-CD 4.41Å; W26-K30 PolarHBondContact O-N 3.29Å; W26-V231 HydrophobicContact CH2-CG2 4.13Å; W26-V231 HydrophobicContact CZ3-CG1 4.41Å; W26-V231 HydrophobicContact CZ3-CG2 4.3Å
27K69.8Low71.2Confident55 Ų5562 Ų6224%0.23931%0.31CS..Hα-helixtrans-62-45173.6-64.1-169.6175.7-175.20111.6D25 W29 C31 E228 I229 V231D25-K27 PolarHBondContact O-N 3.44Å; D25-K27 VanDerWaalsContact O-N 3.13Å; K27-W29 VanDerWaalsContact C-N 3.34Å; K27-C31 PolarHBondContact O-N 3.26Å; K27-C31 VanDerWaalsContact O-N 3.14Å; K27-E228 IonicContact NZ-OE1 2.77Å; K27-E228 PolarHBondContact NZ-OE1 3.42Å; K27-I229 HydrophobicContact CB-CB 4.1Å; K27-I229 HydrophobicContact CB-CD1 4.25Å; K27-I229 HydrophobicContact CB-CG2 4.14Å; K27-I229 HydrophobicContact CD-CB 4.28Å; K27-V231 HydrophobicContact CB-CG2 3.77Å; K27-V231 HydrophobicContact CD-CG2 3.81Å; K27-V231 HydrophobicContact CG-CG2 3.55Å
28L67.6Low69Low49 Ų4966.4 Ų66.426%0.25733%0.333SS..Hα-helixtrans-63.3-42.6175.7-74172.9000110.9D25 C31 R32 I229D25-L28 HydrophobicContact CB-CB 4.15Å; D25-L28 HydrophobicContact CB-CD1 3.87Å; D25-L28 HydrophobicContact CB-CG 4.37Å; D25-L28 WeakPolarHBondContact O-CA 3.45Å; D25-L28 WeakPolarHBondContact O-CB 3.44Å; D25-L28 PolarHBondContact O-N 3.44Å; L28-C31 PolarHBondContact O-N 2.95Å; L28-R32 VanDerWaalsContact O-CG 3.28Å; L28-R32 WeakPolarHBondContact O-CG 3.45Å; L28-R32 PolarHBondContact O-N 3.14Å; L28-I229 HydrophobicContact CB-CD1 4.41Å; L28-I229 HydrophobicContact CD1-CD1 4.28Å; L28-I229 HydrophobicContact CD2-CD1 3.3Å; L28-I229 HydrophobicContact CD2-CG1 4.24Å; L28-I229 HydrophobicContact CG-CD1 3.34Å
29W70Confident67.3Low9 Ų971.9 Ų71.93%0.03436%0.358CS..Hα-helixtrans-59.6-52.4178.1170.379000111.7L14 D15 L18 D25 W26 K27 C31 R32 L33 L66 L69L14-W29 HydrophobicContact CB-CH2 4.48Å; L14-W29 HydrophobicContact CD2-CH2 3.48Å; L14-W29 VanDerWaalsContact CD2-CH2 3.48Å; L14-W29 HydrophobicContact CD2-CZ2 3.75Å; L14-W29 HydrophobicContact CD2-CZ3 4.39Å; L14-W29 HydrophobicContact CG-CH2 3.97Å; L14-W29 HydrophobicContact CG-CZ3 4.47Å; D15-W29 WeakPolarHBondContact OD1-CZ3 3.24Å; L18-W29 HydrophobicContact CD1-CD2 4.12Å; L18-W29 HydrophobicContact CD1-CE3 3.47Å; L18-W29 VanDerWaalsContact CD1-CE3 3.47Å; L18-W29 HydrophobicContact CD1-CH2 4.19Å; L18-W29 HydrophobicContact CD1-CZ3 3.53Å; D25-W29 PolarHBondContact O-N 2.89Å; W26-W29 PolarHBondContact O-N 2.98Å; K27-W29 VanDerWaalsContact C-N 3.34Å; W29-C31 PolarHBondContact O-N 3.11Å; W29-R32 PolarHBondContact O-N 3.26Å; W29-R32 VanDerWaalsContact O-N 3.1Å; W29-L33 HydrophobicContact CD2-CD1 4.21Å; W29-L33 HydrophobicContact CE3-CD1 4.39Å; W29-L33 HydrophobicContact CH2-CD1 3.29Å; W29-L33 HydrophobicContact CZ2-CD1 3.05Å; W29-L33 HydrophobicContact CZ2-CG 4.01Å; W29-L33 HydrophobicContact CZ3-CD1 3.97Å; W29-L33 PolarHBondContact O-N 3.19Å; W29-L66 VanDerWaalsContact CD1-CD2 3.44Å; W29-L66 HydrophobicContact CG-CD2 4.42Å; W29-L69 HydrophobicContact CD2-CB 4.33Å; W29-L69 HydrophobicContact CD2-CD1 4.01Å; W29-L69 HydrophobicContact CG-CD1 3.69Å; W29-L69 HydrophobicContact CZ2-CB 3.45Å; W29-L69 VanDerWaalsContact CZ2-CB 3.45Å
30K71.9Confident65.2Low35 Ų3572.4 Ų72.415%0.15237%0.374CS..Hα-helixtrans-56.5-38.1178.7178.4160173.8171.90112D15 W26 L33 K34 V231D15-K30 WeakPolarHBondContact OD1-CD 3.44Å; D15-K30 WeakPolarHBondContact OD2-CD 3.28Å; D15-K30 VanDerWaalsContact OD2-CE 3.24Å; D15-K30 WeakPolarHBondContact OD2-CE 3.48Å; D15-K30 IonicContact OD2-NZ 2.93Å; D15-K30 PolarHBondContact OD2-NZ 2.99Å; W26-K30 HydrophobicContact CZ3-CD 4.41Å; W26-K30 PolarHBondContact O-N 3.29Å; K30-L33 VanDerWaalsContact O-CB 3.29Å; K30-L33 WeakPolarHBondContact O-CB 3.43Å; K30-L33 PolarHBondContact O-N 3.04Å; K30-K34 PolarHBondContact O-N 2.74Å; K30-V231 HydrophobicContact CB-CG1 4.32Å; K30-V231 HydrophobicContact CD-CG1 3.31Å; K30-V231 VanDerWaalsContact CE-CG1 3.44Å; K30-V231 HydrophobicContact CG-CG1 3.78Å
31C73.2Confident62.7Low9 Ų979.1 Ų79.16%0.06141%0.405CS..Hα-helixtrans-72-40.9176.3-83.80000114.5K27 L28 W29 L33 K34 L35 C234K27-C31 PolarHBondContact O-N 3.26Å; K27-C31 VanDerWaalsContact O-N 3.14Å; L28-C31 PolarHBondContact O-N 2.95Å; W29-C31 PolarHBondContact O-N 3.11Å; C31-L33 PolarHBondContact O-N 3.02Å; C31-K34 PolarHBondContact O-N 3.44Å; C31-L35 WeakPolarHBondContact O-CB 3.49Å; C31-L35 VanDerWaalsContact O-CG 3.23Å; C31-L35 WeakPolarHBondContact O-CG 3.47Å; C31-L35 PolarHBondContact O-N 3.16Å; C31-C234 WeakPolarHBondContact CA-SG 3.17Å; C31-C234 HydrophobicContact CB-CB 3.58Å; C31-C234 WeakPolarHBondContact CB-SG 3.3Å; C31-C234 WeakPolarHBondContact SG-CA 3.43Å; C31-C234 WeakPolarHBondContact SG-CB 3.42Å; C31-C234 CovalentContact SG-SG 2.05Å; C31-C234 PolarHBondContact SG-SG 3.4Å
32R68.4Low60.4Low108 Ų10881.9 Ų81.941%0.40842%0.422SS..Hα-helixtrans-58.8-38.1172.3-72.2172.4-173.7171.74111.2L28 W29 L35 Q36 L66L28-R32 VanDerWaalsContact O-CG 3.28Å; L28-R32 WeakPolarHBondContact O-CG 3.45Å; L28-R32 PolarHBondContact O-N 3.14Å; W29-R32 PolarHBondContact O-N 3.26Å; W29-R32 VanDerWaalsContact O-N 3.1Å; R32-L35 PolarHBondContact O-N 2.65Å; R32-Q36 WeakPolarHBondContact O-CB 3.27Å; R32-Q36 PolarHBondContact O-N 3.11Å; R32-L66 HydrophobicContact CB-CD1 4.5Å; R32-L66 HydrophobicContact CB-CD2 3.74Å; R32-L66 HydrophobicContact CG-CD2 4.41Å
33L69.8Low58.7Low40 Ų4083.8 Ų83.821%0.20943%0.426CS..Hα-helixtrans-61.2-52.8173.8-108.6-173000113.1W29 K30 C31 L35 Q36 P37 K70W29-L33 HydrophobicContact CD2-CD1 4.21Å; W29-L33 HydrophobicContact CE3-CD1 4.39Å; W29-L33 HydrophobicContact CH2-CD1 3.29Å; W29-L33 HydrophobicContact CZ2-CD1 3.05Å; W29-L33 HydrophobicContact CZ2-CG 4.01Å; W29-L33 HydrophobicContact CZ3-CD1 3.97Å; W29-L33 PolarHBondContact O-N 3.19Å; K30-L33 VanDerWaalsContact O-CB 3.29Å; K30-L33 WeakPolarHBondContact O-CB 3.43Å; K30-L33 PolarHBondContact O-N 3.04Å; C31-L33 PolarHBondContact O-N 3.02Å; L33-L35 PolarHBondContact O-N 2.78Å; L33-Q36 PolarHBondContact O-N 3.25Å; L33-P37 WeakPolarHBondContact O-CD 3.47Å; L33-K70 HydrophobicContact CD2-CD 3.46Å; L33-K70 VanDerWaalsContact CD2-CD 3.46Å; L33-K70 HydrophobicContact CD2-CG 3.18Å; L33-K70 HydrophobicContact CG-CG 4.07Å
34K71.1Confident57.3Low89 Ų8987.5 Ų87.539%0.38746%0.461SS..Hα-helixtrans-58.8-33177.1-80-175.4171.1-178.20112.7K30 C31 P37 V231 E232K30-K34 PolarHBondContact O-N 2.74Å; C31-K34 PolarHBondContact O-N 3.44Å; K34-P37 WeakPolarHBondContact O-CD 3.35Å; K34-V231 PolarHBondContact NZ-O 3.39Å; K34-E232 PolarHBondContact NZ-O 2.8Å; K34-E232 IonicContact NZ-OE2 3.13Å; K34-E232 PolarHBondContact NZ-OE2 3.39Å
35L66.4Low55.6Low82 Ų8289.3 Ų89.343%0.42948%0.475SS..Hα-helixtrans-88.6-15.6-177.2-66.5172.1000114.1C31 R32 L33 L38 C234C31-L35 WeakPolarHBondContact O-CB 3.49Å; C31-L35 VanDerWaalsContact O-CG 3.23Å; C31-L35 WeakPolarHBondContact O-CG 3.47Å; C31-L35 PolarHBondContact O-N 3.16Å; R32-L35 PolarHBondContact O-N 2.65Å; L33-L35 PolarHBondContact O-N 2.78Å; L35-L38 HydrophobicContact CD2-CD1 4.44Å; L35-L38 WeakPolarHBondContact O-CB 3.38Å; L35-L38 PolarHBondContact O-N 3.16Å; L35-C234 HydrophobicContact CD1-CB 4.25Å
36Q59.6Low54Low52 Ų5288.9 Ų88.924%0.24348%0.481CS..G310 helixtrans-62.8-30.6-177.5-159.8160.61600115.9R32 L33 L38 Q39R32-Q36 WeakPolarHBondContact O-CB 3.27Å; R32-Q36 PolarHBondContact O-N 3.11Å; L33-Q36 PolarHBondContact O-N 3.25Å; Q36-L38 PolarHBondContact O-N 2.93Å; Q36-Q39 PolarHBondContact O-N 3.44Å
37P51.5Low52.1Low108 Ų10895.3 Ų95.370%0.70151%0.511SS*.G310 helixtrans-59.7-23.6171.1-2333.5000113.6L33 K34L33-P37 WeakPolarHBondContact O-CD 3.47Å; K34-P37 WeakPolarHBondContact O-CD 3.35Å
38L41.5Very low50.3Low131 Ų13198.3 Ų98.369%0.68654%0.536SS*.G310 helixtrans-88.1-13.1-178.3-78.3154.2000114.1L35 Q36L35-L38 HydrophobicContact CD2-CD1 4.44Å; L35-L38 WeakPolarHBondContact O-CB 3.38Å; L35-L38 PolarHBondContact O-N 3.16Å; Q36-L38 PolarHBondContact O-N 2.93Å
39Q46.8Very low48.9Very low123 Ų123102 Ų10258%0.57556%0.563SS**G310 helixtrans-91.7-4.5-172.7-86.6-174.9-28.200115.4Q36 Q41Q36-Q39 PolarHBondContact O-N 3.44Å; Q39-Q41 PolarHBondContact O-N 2.8Å
40V37.4Very low47.1Very low130 Ų130107.3 Ų107.379%0.78860%0.601SS**G310 helixtrans-78.7-3.9178.4-1750000112.4
41Q32.7Very low45.6Very low181 Ų181112.7 Ų112.785%0.84664%0.637SS**G310 helixtrans-125.417.5-176.6-66.1-165.329.600116.3Q39Q39-Q41 PolarHBondContact O-N 2.8Å
42T31.6Very low43.8Very low120 Ų120114.7 Ų114.774%0.73666%0.658SS**  trans-126.381.7174.1-44.90000110.5
43E33.4Very low42.7Very low186 Ų186115.4 Ų115.487%0.86968%0.68SS**  trans-60.1133.3165.2-63.9-168.3155.300110.5
44A40.8Very low41.2Very low103 Ų103121.2 Ų121.285%0.85171%0.706SS**  trans41.492.7151.700000117.9
45S28.1Very low39.7Very low104 Ų104128.6 Ų128.673%0.72773%0.731SS**  trans-123.2114.2144.4-161.30000109.9
46S32.8Very low38.8Very low102 Ų102129.2 Ų129.271%0.71374%0.743SS**  trans-67.9126.1-17648.80000113.2
47F29Very low37.9Very low185 Ų185133 Ų13381%0.81177%0.77SS**  trans-146.5138.2153.1-69.4-73.9000111.1
48P32.4Very low37.3Very low118 Ų118138.3 Ų138.377%0.76678%0.776SS**PPolyproline II helixtrans-79.9147.3-177.431.7-32.5000111.7S50P48-S50 PolarHBondContact O-N 3.05Å
49P38.6Very low37.2Very low128 Ų128142.3 Ų142.383%0.83178%0.783SS**PPolyproline II helixtrans-82.4120.4176.530.6-28.4000110.7
50S31.4Very low37Very low119 Ų119141 Ų14183%0.83279%0.793SS**PPolyproline II helixtrans-66.2137.7167.2-176.60000110.7P48 G52P48-S50 PolarHBondContact O-N 3.05Å; S50-G52 PolarHBondContact O-N 3.3Å
51V41.6Very low37.3Very low149 Ų149138.4 Ų138.490%0.90378%0.778SS**  trans-71109.7178.5179.10000109.3
52G34.4Very low38.3Very low50 Ų50131.6 Ų131.652%0.51575%0.747SS.*  trans-127.4120.3173.300000110.9S50 H54S50-G52 PolarHBondContact O-N 3.3Å; G52-H54 PolarHBondContact O-CD2 3.28Å; G52-H54 VanDerWaalsContact O-CD2 3.3Å; G52-H54 PolarHBondContact O-N 3.23Å
53S46Very low39.9Very low124 Ų124130.4 Ų130.487%0.86774%0.741SS**  trans-62.2120179.5-178.90000111.8
54H38.9Very low41.4Very low162 Ų162127.8 Ų127.875%0.7572%0.724SS**  trans-120.1114.3173-73.8-72.8000111.4G52 S56G52-H54 PolarHBondContact O-CD2 3.28Å; G52-H54 VanDerWaalsContact O-CD2 3.3Å; G52-H54 PolarHBondContact O-N 3.23Å; H54-S56 PolarHBondContact O-N 3.24Å
55R38.9Very low42.9Very low243 Ų243124.8 Ų124.892%0.91770%0.697SS**  trans-57.3121.5171.1-172.6175.4179.2174.5-0.8109.4T57R55-T57 PolarHBondContact O-N 3.35Å
56S48.1Very low45Very low96 Ų96121.3 Ų121.367%0.67167%0.67SS**  trans-49122178.4-176.50000113.4H54H54-S56 PolarHBondContact O-N 3.24Å
57T39.5Very low46.9Very low131 Ų131119.4 Ų119.480%0.80465%0.65SS**  trans-107.3106.3155.838.40000109.1R55 Y59R55-T57 PolarHBondContact O-N 3.35Å; T57-Y59 VanDerWaalsContact C-N 3.3Å; T57-Y59 PolarHBondContact O-N 3.18Å
58R40.3Very low49.4Very low219 Ų219111.6 Ų111.683%0.82662%0.616SS**  trans-70.274.9174.9-63.6-178.6-172.9-176.31.3111.1
59Y39Very low51.7Low215 Ų215106.3 Ų106.384%0.84358%0.582SS**  trans-153.649.2161.2-75.3-73.9000111T57T57-Y59 VanDerWaalsContact C-N 3.3Å; T57-Y59 PolarHBondContact O-N 3.18Å
60A41.8Very low53.7Low95 Ų95102.5 Ų102.579%0.78555%0.552SS**  trans-102.771.3167.300000108.9I62A60-I62 PolarHBondContact O-N 3.24Å
61T44.6Very low56.3Low76 Ų7698.2 Ų98.247%0.46652%0.524SS..  trans-96.188.5-179.5-51.10000109.2R192T61-R192 VanDerWaalsContact CG2-CZ 3.47Å
62I52.9Low58.4Low39 Ų3993.9 Ų93.920%0.250%0.497CS..  trans60.390.4171.4-44.3179.7000116.1A60 Y64 R192A60-I62 PolarHBondContact O-N 3.24Å; I62-Y64 PolarHBondContact O-N 3.34Å; I62-R192 HydrophobicContact CD1-CG 4.47Å
63P64.8Low60.8Low94 Ų9493.2 Ų93.261%0.6148%0.481SS*.PPolyproline II helixtrans-78.3116.4154.731.2-26.3000108.2
64Y66.4Low62.8Low132 Ų13293.2 Ų93.252%0.51847%0.467SS..PPolyproline II helixtrans-52.3145.3161.2-61.6-72.4000108.9F23 I62 I68 L69F23-Y64 HydrophobicContact CD2-CD2 4.45Å; F23-Y64 AromaticContact CE2-CD2 3.47Å; F23-Y64 HydrophobicContact CE2-CD2 3.47Å; F23-Y64 VanDerWaalsContact CE2-CD2 3.47Å; F23-Y64 AromaticContact CE2-CE2 3.86Å; F23-Y64 HydrophobicContact CE2-CE2 3.86Å; F23-Y64 AromaticContact CZ-CD2 3.92Å; F23-Y64 HydrophobicContact CZ-CD2 3.92Å; I62-Y64 PolarHBondContact O-N 3.34Å; Y64-I68 HydrophobicContact CD1-CG2 4.39Å; Y64-L69 HydrophobicContact CD2-CD2 4.34Å
65S71.2Confident65.3Low39 Ų3991.6 Ų91.627%0.27346%0.46SS..PPolyproline II helixtrans-63.2153.6177.877.10000110.2E67 I68 L69S65-E67 PolarHBondContact O-N 3.38Å; S65-E67 VanDerWaalsContact O-N 3.15Å; S65-I68 WeakPolarHBondContact O-CB 3.44Å; S65-I68 PolarHBondContact O-N 2.82Å; S65-I68 WeakPolarHBondContact OG-CG1 3.5Å; S65-I68 PolarHBondContact OG-N 3.5Å; S65-L69 PolarHBondContact O-N 2.94Å
66L71.6Confident67.7Low32 Ų3282.2 Ų82.217%0.16842%0.424CS..Hα-helixtrans-55.5-32.5177.5-75.6159.9000112.2W29 R32 K70 L218W29-L66 VanDerWaalsContact CD1-CD2 3.44Å; W29-L66 HydrophobicContact CG-CD2 4.42Å; R32-L66 HydrophobicContact CB-CD1 4.5Å; R32-L66 HydrophobicContact CB-CD2 3.74Å; R32-L66 HydrophobicContact CG-CD2 4.41Å; L66-K70 WeakPolarHBondContact O-CB 3.41Å; L66-K70 PolarHBondContact O-N 3.3Å; L66-L218 HydrophobicContact CD1-CD1 3.67Å
67E73.8Confident69.6Low61 Ų6181.9 Ų81.929%0.28541%0.413SS..Hα-helixtrans-71-37.5179.5-64.8157.2155.300111.7S65 K70 A71 Y210 P211 S215S65-E67 PolarHBondContact O-N 3.38Å; S65-E67 VanDerWaalsContact O-N 3.15Å; E67-K70 WeakPolarHBondContact O-CB 3.32Å; E67-K70 PolarHBondContact O-N 3.03Å; E67-A71 WeakPolarHBondContact O-CB 3.47Å; E67-A71 PolarHBondContact O-N 3.2Å; E67-Y210 HydrophobicContact CB-CD1 4.39Å; E67-Y210 HydrophobicContact CB-CE1 3.72Å; E67-P211 WeakPolarHBondContact OE2-CD 3.27Å; E67-P211 WeakPolarHBondContact OE2-CG 3.47Å; E67-S215 WeakPolarHBondContact OE1-CB 3.46Å
68I80.5Confident71.9Confident21 Ų2178.2 Ų78.211%0.10839%0.392CS..Hα-helixtrans-62.4-52.7175.7-68.2173000110.1Y64 S65 K70 A71 V72 I199 Y210Y64-I68 HydrophobicContact CD1-CG2 4.39Å; S65-I68 WeakPolarHBondContact O-CB 3.44Å; S65-I68 PolarHBondContact O-N 2.82Å; S65-I68 WeakPolarHBondContact OG-CG1 3.5Å; S65-I68 PolarHBondContact OG-N 3.5Å; I68-K70 PolarHBondContact O-N 3.26Å; I68-A71 PolarHBondContact O-N 3.32Å; I68-A71 VanDerWaalsContact O-N 3.16Å; I68-V72 HydrophobicContact CG2-CG2 4.49Å; I68-V72 WeakPolarHBondContact O-CG2 3.2Å; I68-V72 PolarHBondContact O-N 3.29Å; I68-I199 HydrophobicContact CD1-CD1 3.48Å; I68-I199 VanDerWaalsContact CD1-CD1 3.48Å; I68-I199 HydrophobicContact CD1-CG1 3.68Å; I68-I199 HydrophobicContact CG1-CD1 3.5Å; I68-I199 HydrophobicContact CG1-CG1 4.28Å; I68-Y210 HydrophobicContact CD1-CD1 4.22Å; I68-Y210 HydrophobicContact CG1-CD1 3.44Å; I68-Y210 VanDerWaalsContact CG1-CD1 3.44Å; I68-Y210 HydrophobicContact CG1-CE1 3.7Å; I68-Y210 HydrophobicContact CG1-CG 4.14Å
69L80.9Confident74.4Confident8 Ų871.4 Ų71.44%0.04237%0.371CS..Hα-helixtrans-65.3-30.7-178.3-67.9172.5000111.1L14 L18 F23 W29 Y64 S65 E73L14-L69 HydrophobicContact CD2-CB 4.41Å; L14-L69 HydrophobicContact CD2-CD2 4.4Å; L14-L69 WeakPolarHBondContact CD2-O 3.34Å; L18-L69 HydrophobicContact CD2-CD2 4.17Å; F23-L69 HydrophobicContact CE1-CD1 4.13Å; F23-L69 HydrophobicContact CZ-CD1 4.23Å; W29-L69 HydrophobicContact CD2-CB 4.33Å; W29-L69 HydrophobicContact CD2-CD1 4.01Å; W29-L69 HydrophobicContact CG-CD1 3.69Å; W29-L69 HydrophobicContact CZ2-CB 3.45Å; W29-L69 VanDerWaalsContact CZ2-CB 3.45Å; Y64-L69 HydrophobicContact CD2-CD2 4.34Å; S65-L69 PolarHBondContact O-N 2.94Å; L69-E73 WeakPolarHBondContact O-CB 3.49Å; L69-E73 PolarHBondContact O-N 3.36Å
70K81.7Confident76.9Confident47 Ų4764.5 Ų64.520%0.20435%0.347CS..Hα-helixtrans-64.1-49.3169.5-100.9-159.5-72.6174.50113.7L33 L66 E67 I68 V72 E73 E74L33-K70 HydrophobicContact CD2-CD 3.46Å; L33-K70 VanDerWaalsContact CD2-CD 3.46Å; L33-K70 HydrophobicContact CD2-CG 3.18Å; L33-K70 HydrophobicContact CG-CG 4.07Å; L66-K70 WeakPolarHBondContact O-CB 3.41Å; L66-K70 PolarHBondContact O-N 3.3Å; E67-K70 WeakPolarHBondContact O-CB 3.32Å; E67-K70 PolarHBondContact O-N 3.03Å; I68-K70 PolarHBondContact O-N 3.26Å; K70-V72 PolarHBondContact O-N 2.81Å; K70-E73 PolarHBondContact O-N 2.87Å; K70-E73 VanDerWaalsContact O-N 3.14Å; K70-E74 WeakPolarHBondContact O-CB 3.25Å; K70-E74 WeakPolarHBondContact O-CG 3.25Å; K70-E74 PolarHBondContact O-N 3.13Å
71A85Confident79.5Confident29 Ų2961.2 Ų61.224%0.2432%0.318CS..Hα-helixtrans-59.6-39.1177.500000111.1E67 I68 E74 E75 Y210E67-A71 WeakPolarHBondContact O-CB 3.47Å; E67-A71 PolarHBondContact O-N 3.2Å; I68-A71 PolarHBondContact O-N 3.32Å; I68-A71 VanDerWaalsContact O-N 3.16Å; A71-E74 PolarHBondContact O-N 3.34Å; A71-E75 WeakPolarHBondContact O-CB 3.39Å; A71-E75 WeakPolarHBondContact O-CG 3.48Å; A71-E75 PolarHBondContact O-N 3.1Å; A71-Y210 WeakPolarHBondContact CB-OH 3.46Å
72V86.1Confident81.9Confident58 Ų5861.9 Ų61.935%0.35232%0.317SS..Hα-helixtrans-64.4-44.4174.8176.80000111.6L14 I68 K70 E75 W76L14-V72 HydrophobicContact CD1-CG1 3.77Å; L14-V72 HydrophobicContact CD2-CB 4.03Å; L14-V72 HydrophobicContact CD2-CG1 3.93Å; L14-V72 HydrophobicContact CG-CG1 4.41Å; I68-V72 HydrophobicContact CG2-CG2 4.49Å; I68-V72 WeakPolarHBondContact O-CG2 3.2Å; I68-V72 PolarHBondContact O-N 3.29Å; K70-V72 PolarHBondContact O-N 2.81Å; V72-E75 PolarHBondContact O-N 2.97Å; V72-W76 WeakPolarHBondContact O-CB 3.34Å; V72-W76 PolarHBondContact O-N 3.47Å
73E85.4Confident84.1Confident37 Ų3761.6 Ų61.617%0.17332%0.317CS..Hα-helixtrans-63.9-44.2176.5-178.257.9-159.400111.7L14 L69 K70 E75 W76 Q77L14-E73 WeakPolarHBondContact CB-OE2 3.24Å; L14-E73 HydrophobicContact CD2-CB 3.95Å; L69-E73 WeakPolarHBondContact O-CB 3.49Å; L69-E73 PolarHBondContact O-N 3.36Å; K70-E73 PolarHBondContact O-N 2.87Å; K70-E73 VanDerWaalsContact O-N 3.14Å; E73-E75 VanDerWaalsContact C-N 3.35Å; E73-E75 PolarHBondContact O-N 3.28Å; E73-W76 WeakPolarHBondContact O-CB 3.49Å; E73-W76 PolarHBondContact O-N 3.08Å; E73-W76 VanDerWaalsContact O-N 3.15Å; E73-Q77 HydrophobicContact CG-CG 4.34Å; E73-Q77 WeakPolarHBondContact O-CB 3.43Å; E73-Q77 VanDerWaalsContact O-CG 3.24Å; E73-Q77 WeakPolarHBondContact O-CG 3.4Å; E73-Q77 PolarHBondContact O-N 3.47Å; E73-Q77 WeakPolarHBondContact OE1-CG 3.24Å; E73-Q77 PolarHBondContact OE1-NE2 2.88Å
74E88.6Confident85.6Confident124 Ų12460.7 Ų60.758%0.57930%0.302SS*.Hα-helixtrans-59.7-45.1177.5-75.2170.3-167.800111.2K70 A71 Q77 S78K70-E74 WeakPolarHBondContact O-CB 3.25Å; K70-E74 WeakPolarHBondContact O-CG 3.25Å; K70-E74 PolarHBondContact O-N 3.13Å; A71-E74 PolarHBondContact O-N 3.34Å; E74-Q77 PolarHBondContact O-N 3.48Å; E74-S78 VanDerWaalsContact O-CB 3.27Å; E74-S78 WeakPolarHBondContact O-CB 3.45Å; E74-S78 PolarHBondContact O-N 2.7Å
75E89.8Confident87Confident127 Ų12761.1 Ų61.159%0.59331%0.308SS*.Hα-helixtrans-62.7-42.4173.5-74.3-61.9158.900111.9A71 V72 E73 Q77 S78 I79A71-E75 WeakPolarHBondContact O-CB 3.39Å; A71-E75 WeakPolarHBondContact O-CG 3.48Å; A71-E75 PolarHBondContact O-N 3.1Å; V72-E75 PolarHBondContact O-N 2.97Å; E73-E75 VanDerWaalsContact C-N 3.35Å; E73-E75 PolarHBondContact O-N 3.28Å; E75-Q77 VanDerWaalsContact C-N 3.34Å; E75-Q77 PolarHBondContact O-N 2.74Å; E75-S78 PolarHBondContact O-N 3.19Å; E75-S78 PolarHBondContact O-OG 3.46Å; E75-I79 WeakPolarHBondContact O-CG1 3.48Å; E75-I79 PolarHBondContact O-N 3.24Å
76W89.1Confident88.2Confident46 Ų4661.7 Ų61.717%0.17431%0.31CS..Hα-helixtrans-61.2-44.3178-157.2-63.9000111.7S11 S12 L17 V72 E73 I79 Q80S11-W76 WeakPolarHBondContact O-CZ2 3.02Å; S12-W76 PolarHBondContact O-NE1 3.37Å; L17-W76 HydrophobicContact CD2-CZ3 4.1Å; V72-W76 WeakPolarHBondContact O-CB 3.34Å; V72-W76 PolarHBondContact O-N 3.47Å; E73-W76 WeakPolarHBondContact O-CB 3.49Å; E73-W76 PolarHBondContact O-N 3.08Å; E73-W76 VanDerWaalsContact O-N 3.15Å; W76-I79 WeakPolarHBondContact O-CG1 3.14Å; W76-Q80 VanDerWaalsContact O-CG 3.26Å; W76-Q80 WeakPolarHBondContact O-CG 3.46Å
77Q88.1Confident89.5Confident90 Ų9065 Ų6542%0.42134%0.335SS..Hα-helixtrans-66.4-39.7176-66.1-67.8-26.700111.4E73 E74 E75 I79 Q80E73-Q77 HydrophobicContact CG-CG 4.34Å; E73-Q77 WeakPolarHBondContact O-CB 3.43Å; E73-Q77 VanDerWaalsContact O-CG 3.24Å; E73-Q77 WeakPolarHBondContact O-CG 3.4Å; E73-Q77 PolarHBondContact O-N 3.47Å; E73-Q77 WeakPolarHBondContact OE1-CG 3.24Å; E73-Q77 PolarHBondContact OE1-NE2 2.88Å; E74-Q77 PolarHBondContact O-N 3.48Å; E75-Q77 VanDerWaalsContact C-N 3.34Å; E75-Q77 PolarHBondContact O-N 2.74Å; Q77-I79 PolarHBondContact O-N 3.39Å; Q77-Q80 VanDerWaalsContact NE2-NE2 3.13Å; Q77-Q80 PolarHBondContact O-N 3.48Å
78S89.6Confident90.5Very high53 Ų5362.8 Ų62.837%0.37133%0.325SS..Hα-helixtrans-64.1-26.2-176.688.40000112.9E74 E75 R84E74-S78 VanDerWaalsContact O-CB 3.27Å; E74-S78 WeakPolarHBondContact O-CB 3.45Å; E74-S78 PolarHBondContact O-N 2.7Å; E75-S78 PolarHBondContact O-N 3.19Å; E75-S78 PolarHBondContact O-OG 3.46Å; S78-R84 PolarHBondContact O-NH1 3.14Å; S78-R84 PolarHBondContact O-NH2 2.97Å
79I91Very high91.2Very high76 Ų7665.3 Ų65.339%0.3934%0.338SS..THydrogen-bonded Turntrans-102.83.9-176.968.6166.5000114.8E75 W76 Q77 G114 C115E75-I79 WeakPolarHBondContact O-CG1 3.48Å; E75-I79 PolarHBondContact O-N 3.24Å; W76-I79 WeakPolarHBondContact O-CG1 3.14Å; Q77-I79 PolarHBondContact O-N 3.39Å; I79-G114 CarbonylContact O-C 3.56Å; I79-G114 WeakPolarHBondContact O-CA 3.47Å; I79-C115 HydrophobicContact CD1-CB 4.2Å; I79-C115 PolarHBondContact O-N 3.04Å
80Q92.4Very high91.8Very high71 Ų7165 Ų6533%0.33234%0.337SS..BIsolated β-bridgetrans-62.4150.9-176.5-66-173.917.200113.3W76 Q77 M82 R84W76-Q80 VanDerWaalsContact O-CG 3.26Å; W76-Q80 WeakPolarHBondContact O-CG 3.46Å; Q77-Q80 VanDerWaalsContact NE2-NE2 3.13Å; Q77-Q80 PolarHBondContact O-N 3.48Å; Q80-M82 PolarHBondContact O-N 2.72Å; Q80-R84 PolarHBondContact O-NH2 2.95Å
81C95.6Very high92.3Very high26 Ų2664.5 Ų64.518%0.17634%0.342CS..SBendtrans-65.6101.7174.6175.70000111.1G113 C123C81-G113 WeakPolarHBondContact CA-O 3.35Å; C81-C123 WeakPolarHBondContact CA-SG 3.45Å; C81-C123 HydrophobicContact CB-CB 3.79Å; C81-C123 WeakPolarHBondContact CB-SG 3.27Å; C81-C123 WeakPolarHBondContact SG-CA 3.39Å; C81-C123 WeakPolarHBondContact SG-CB 3.34Å; C81-C123 CovalentContact SG-SG 2.03Å; C81-C123 PolarHBondContact SG-SG 3.22Å
82M96Very high92.6Very high90 Ų9070.2 Ų70.244%0.44336%0.364SS..EExtended strand (participates in β ladder)trans-149.8164.1-17965.3-177.6-82.400111.3Q80 R84 G113Q80-M82 PolarHBondContact O-N 2.72Å; M82-R84 HydrophobicContact CG-CG 4.06Å; M82-R84 PolarHBondContact O-N 3.15Å; M82-G113 PolarHBondContact N-O 2.85Å; M82-G113 VanDerWaalsContact N-O 3.08Å; M82-G113 PolarHBondContact O-N 2.03Å; M82-G113 VanDerWaalsContact O-N 3.12Å
83P97.9Very high92.8Very high33 Ų3370.4 Ų70.421%0.21436%0.361CS..EExtended strand (participates in β ladder)trans-62.5126.7169.9-19.131.3000110.4H110 C158P83-H110 HydrophobicContact CB-CB 4.05Å; P83-C158 VanDerWaalsContact CD-SG 3.51Å
84R96.6Very high93Very high75 Ų7571.9 Ų71.928%0.28337%0.369SS..EExtended strand (participates in β ladder)trans-128.7142.8-179.4-67.2172.9-175-91.8-6.9109.9S78 Q80 M82 T86 H110 R111 G113S78-R84 PolarHBondContact O-NH1 3.14Å; S78-R84 PolarHBondContact O-NH2 2.97Å; Q80-R84 PolarHBondContact O-NH2 2.95Å; M82-R84 HydrophobicContact CG-CG 4.06Å; M82-R84 PolarHBondContact O-N 3.15Å; R84-T86 PolarHBondContact O-N 3.46Å; R84-H110 CarbonylContact O-C 3.58Å; R84-H110 VanDerWaalsContact O-CA 3.24Å; R84-H110 WeakPolarHBondContact O-CA 3.03Å; R84-R111 PolarHBondContact N-O 2.95Å; R84-R111 PolarHBondContact O-N 3.37Å; R84-G113 PolarHBondContact NE-O 3.08Å
85E96.8Very high92.8Very high141 Ų14173 Ų7366%0.65938%0.379SS*.EExtended strand (participates in β ladder)trans-63.6129.1175.3-167.5175.9-173.700110.2S108E85-S108 VanDerWaalsContact CD-OG 3.25Å; E85-S108 WeakPolarHBondContact CG-OG 3.45Å; E85-S108 PolarHBondContact OE1-OG 3.29Å
86T96.8Very high92.1Very high51 Ų5168.8 Ų68.831%0.31336%0.364SS..EExtended strand (participates in β ladder)trans-140.1147.5-17856.20000110.2R84 S108 V109 R111R84-T86 PolarHBondContact O-N 3.46Å; T86-S108 WeakPolarHBondContact O-CA 3.47Å; T86-V109 PolarHBondContact N-O 3.19Å; T86-V109 PolarHBondContact O-N 2.04Å; T86-V109 VanDerWaalsContact O-O 3.11Å; T86-V109 PolarHBondContact OG1-O 2.99Å; T86-V109 VanDerWaalsContact OG1-O 3.06Å; T86-R111 HydrophobicContact CG2-CB 4.17Å; T86-R111 WeakPolarHBondContact OG1-CB 3.43Å; T86-R111 WeakPolarHBondContact OG1-CG 3.26Å
87C97.3Very high91Very high100 Ų10074 Ų7468%0.67639%0.39SS*.EExtended strand (participates in β ladder)trans-92.7114.8174.5-171.90000108.4C106C87-C106 WeakPolarHBondContact SG-CB 3.03Å
88I95.6Very high90.1Very high16 Ų1676.4 Ų76.48%0.08241%0.411CS..EExtended strand (participates in β ladder)trans-106.6145.2179.668.7162.7000110.7E93 C106 V107 V109 R111 V152I88-E93 HydrophobicContact CD1-CB 3.96Å; I88-E93 HydrophobicContact CD1-CG 3.74Å; I88-C106 CarbonylContact O-C 3.56Å; I88-C106 WeakPolarHBondContact O-CA 3.46Å; I88-C106 WeakPolarHBondContact O-CB 3Å; I88-V107 HydrophobicContact CD1-CG2 4.05Å; I88-V107 HydrophobicContact CG1-CG2 3.71Å; I88-V107 WeakPolarHBondContact CG1-O 3.02Å; I88-V107 PolarHBondContact N-O 3.34Å; I88-V107 PolarHBondContact O-N 3.25Å; I88-V109 HydrophobicContact CD1-CG2 3.88Å; I88-V109 HydrophobicContact CG1-CG2 4.02Å; I88-V109 HydrophobicContact CG2-CG2 3.8Å; I88-R111 HydrophobicContact CG2-CG 4.41Å; I88-V152 HydrophobicContact CD1-CG1 3.24Å; I88-V152 HydrophobicContact CG1-CG1 4.45Å
89D95.3Very high89.5Confident73 Ų7377 Ų7739%0.3942%0.415SS..EExtended strand (participates in β ladder)trans-74.7123.4170.4-173.2-34.7000109.6A91 Q92 E93D89-A91 WeakPolarHBondContact OD1-CB 3.01Å; D89-A91 PolarHBondContact OD1-N 3.37Å; D89-Q92 HydrophobicContact CB-CB 4.02Å; D89-Q92 PolarHBondContact O-N 3.07Å; D89-Q92 PolarHBondContact OD1-N 3.08Å; D89-E93 WeakPolarHBondContact O-CB 3.39Å; D89-E93 PolarHBondContact O-N 3.05Å
90V94.1Very high89.3Confident1 Ų175 Ų751%0.00641%0.406CS..Hα-helixtrans-66.4-39.8-178.8172.10000111.9Q92 E93 L94 F102 P105 V107 I135 I150V90-Q92 VanDerWaalsContact C-N 3.3Å; V90-Q92 PolarHBondContact O-N 3.15Å; V90-E93 PolarHBondContact O-N 3.23Å; V90-L94 HydrophobicContact CG1-CD1 3.68Å; V90-L94 HydrophobicContact CG1-CG 4.31Å; V90-L94 WeakPolarHBondContact O-CB 3.24Å; V90-L94 WeakPolarHBondContact O-CG 3.42Å; V90-L94 PolarHBondContact O-N 2.88Å; V90-F102 HydrophobicContact CB-CB 4.39Å; V90-F102 HydrophobicContact CB-CD2 4.32Å; V90-F102 HydrophobicContact CB-CG 4.44Å; V90-F102 HydrophobicContact CG1-CB 4.16Å; V90-F102 HydrophobicContact CG1-CD1 4.25Å; V90-F102 HydrophobicContact CG1-CD2 3.72Å; V90-F102 HydrophobicContact CG1-CE2 4.15Å; V90-F102 HydrophobicContact CG1-CG 3.77Å; V90-P105 WeakPolarHBondContact CB-O 3.5Å; V90-P105 WeakPolarHBondContact CG2-O 3.06Å; V90-P105 PolarHBondContact N-O 2.98Å; V90-V107 HydrophobicContact CG2-CB 4.41Å; V90-V107 HydrophobicContact CG2-CG1 3.79Å; V90-V107 HydrophobicContact CG2-CG2 3.99Å; V90-I135 HydrophobicContact CG1-CD1 3.64Å; V90-I150 HydrophobicContact CB-CD1 4.46Å; V90-I150 HydrophobicContact CG1-CD1 3.73Å; V90-I150 HydrophobicContact CG2-CD1 3.94Å
91A91.4Very high89.2Confident38 Ų3877.2 Ų77.231%0.31442%0.415SS..Hα-helixtrans-66.1-38.3-178.400000110.8D89 D95 S96 F102D89-A91 WeakPolarHBondContact OD1-CB 3.01Å; D89-A91 PolarHBondContact OD1-N 3.37Å; A91-D95 PolarHBondContact O-N 3.01Å; A91-S96 PolarHBondContact O-N 3.19Å; A91-F102 HydrophobicContact CB-CD2 4.23Å; A91-F102 HydrophobicContact CB-CE2 4.43Å
92Q91.4Very high89.1Confident149 Ų14977.1 Ų77.170%0.69641%0.412SS*.Hα-helixtrans-68.8-41.1174.8-171.617822.400112.2D89 V90 L94 D95D89-Q92 HydrophobicContact CB-CB 4.02Å; D89-Q92 PolarHBondContact O-N 3.07Å; D89-Q92 PolarHBondContact OD1-N 3.08Å; V90-Q92 VanDerWaalsContact C-N 3.3Å; V90-Q92 PolarHBondContact O-N 3.15Å; Q92-L94 VanDerWaalsContact C-N 3.32Å; Q92-L94 PolarHBondContact O-N 3.4Å; Q92-D95 PolarHBondContact O-N 3.01Å
93E90.7Very high89.1Confident62 Ų6278.3 Ų78.329%0.2941%0.414SS..Hα-helixtrans-67.4-31.6-179.5-175.773.2-175.200113I88 D89 V90 R111 V152I88-E93 HydrophobicContact CD1-CB 3.96Å; I88-E93 HydrophobicContact CD1-CG 3.74Å; D89-E93 WeakPolarHBondContact O-CB 3.39Å; D89-E93 PolarHBondContact O-N 3.05Å; V90-E93 PolarHBondContact O-N 3.23Å; E93-R111 IonicContact OE1-CZ 3.94Å; E93-R111 IonicContact OE1-NH2 3.86Å; E93-R111 PolarHBondContact OE1-NH2 2.03Å; E93-R111 IonicContact OE2-CZ 2.69Å; E93-R111 IonicContact OE2-NH1 2.8Å; E93-R111 PolarHBondContact OE2-NH1 3.49Å; E93-R111 VanDerWaalsContact OE2-NH1 3.13Å; E93-R111 IonicContact OE2-NH2 3.41Å; E93-R111 PolarHBondContact OE2-NH2 2.91Å; E93-V152 HydrophobicContact CG-CG1 4.2Å
94L88Confident89Confident67 Ų6780.1 Ų80.135%0.35143%0.426SS..THydrogen-bonded Turntrans-95.63.7-178.6-61.8177.7000113.8V90 Q92 S96 F102 I150V90-L94 HydrophobicContact CG1-CD1 3.68Å; V90-L94 HydrophobicContact CG1-CG 4.31Å; V90-L94 WeakPolarHBondContact O-CB 3.24Å; V90-L94 WeakPolarHBondContact O-CG 3.42Å; V90-L94 PolarHBondContact O-N 2.88Å; Q92-L94 VanDerWaalsContact C-N 3.32Å; Q92-L94 PolarHBondContact O-N 3.4Å; L94-S96 PolarHBondContact O-N 2.69Å; L94-S96 VanDerWaalsContact O-N 3.12Å; L94-F102 HydrophobicContact CD1-CE2 4.48Å; L94-F102 HydrophobicContact CD1-CZ 4.13Å; L94-I150 HydrophobicContact CD1-CB 4.19Å; L94-I150 HydrophobicContact CD1-CG2 3.7Å
95D84.6Confident88.9Confident148 Ų14879.7 Ų79.779%0.79143%0.433SS*.THydrogen-bonded Turntrans47.238.1-171.7-68.1-43.1000112.5A91 Q92A91-D95 PolarHBondContact O-N 3.01Å; Q92-D95 PolarHBondContact O-N 3.01Å
96S76.5Confident88.9Confident39 Ų3975.2 Ų75.227%0.27342%0.417SS..  trans-69.3142.8-171.9175.20000112.3A91 L94A91-S96 PolarHBondContact O-N 3.19Å; L94-S96 PolarHBondContact O-N 2.69Å; L94-S96 VanDerWaalsContact O-N 3.12Å
97H66.3Low88.9Confident154 Ų15473.4 Ų73.471%0.71341%0.406SS*.  trans-63.5153169-62.7-67.6000111.7S99 V100H97-S99 PolarHBondContact O-N 3.46Å; H97-V100 PolarHBondContact O-N 3.42Å
98T68.3Low88.9Confident142 Ų14270.8 Ų70.887%0.87139%0.388SS*.THydrogen-bonded Turntrans-63.4-1.4-177.755.90000115
99S77.1Confident89Confident64 Ų6470.1 Ų70.145%0.44839%0.385SS..THydrogen-bonded Turntrans-95.21.4-177.161.60000114.1H97 P140H97-S99 PolarHBondContact O-N 3.46Å; S99-P140 WeakPolarHBondContact O-CD 3.05Å
100V86.5Confident89.2Confident35 Ų3570.2 Ų70.221%0.21238%0.383CS..  trans-122.9132.6178.3-175.50000109.6H97 F102 S137 T139H97-V100 PolarHBondContact O-N 3.42Å; V100-F102 HydrophobicContact CB-CZ 4.43Å; V100-F102 HydrophobicContact CG1-CD1 4.42Å; V100-F102 HydrophobicContact CG1-CE1 3.84Å; V100-F102 HydrophobicContact CG1-CE2 4.24Å; V100-F102 HydrophobicContact CG1-CZ 3.74Å; V100-S137 WeakPolarHBondContact CG1-OG 3.34Å; V100-T139 HydrophobicContact CG2-CG2 4.01Å
101F91.2Very high89.3Confident118 Ų11872.8 Ų72.852%0.51839%0.393SS..EExtended strand (participates in β ladder)trans-111.3131.5176.5-60.2-82.5000110.2L138 P140F101-L138 HydrophobicContact CB-CB 4.38Å; F101-L138 PolarHBondContact N-O 3.49Å; F101-L138 PolarHBondContact O-N 2.86Å; F101-P140 HydrophobicContact CE2-CG 4.24Å
102F93.3Very high89.6Confident24 Ų2472.2 Ų72.211%0.10539%0.386CS..EExtended strand (participates in β ladder)trans-103.2141.5179.6-63.4-67.1000112.3V90 A91 L94 V100 P104 I135 F136V90-F102 HydrophobicContact CB-CB 4.39Å; V90-F102 HydrophobicContact CB-CD2 4.32Å; V90-F102 HydrophobicContact CB-CG 4.44Å; V90-F102 HydrophobicContact CG1-CB 4.16Å; V90-F102 HydrophobicContact CG1-CD1 4.25Å; V90-F102 HydrophobicContact CG1-CD2 3.72Å; V90-F102 HydrophobicContact CG1-CE2 4.15Å; V90-F102 HydrophobicContact CG1-CG 3.77Å; A91-F102 HydrophobicContact CB-CD2 4.23Å; A91-F102 HydrophobicContact CB-CE2 4.43Å; L94-F102 HydrophobicContact CD1-CE2 4.48Å; L94-F102 HydrophobicContact CD1-CZ 4.13Å; V100-F102 HydrophobicContact CB-CZ 4.43Å; V100-F102 HydrophobicContact CG1-CD1 4.42Å; V100-F102 HydrophobicContact CG1-CE1 3.84Å; V100-F102 HydrophobicContact CG1-CE2 4.24Å; V100-F102 HydrophobicContact CG1-CZ 3.74Å; F102-P104 CarbonylContact O-C 3.37Å; F102-I135 HydrophobicContact CB-CD1 4.05Å; F102-I135 HydrophobicContact CD1-CD1 3.33Å; F102-I135 HydrophobicContact CD1-CG1 4.28Å; F102-I135 HydrophobicContact CE1-CD1 4Å; F102-I135 HydrophobicContact CG-CD1 3.87Å; F102-F136 CarbonylContact C-O 3.52Å; F102-F136 VanDerWaalsContact CA-O 3.3Å; F102-F136 WeakPolarHBondContact CA-O 3.38Å
103K94.6Very high89.8Confident114 Ų11466.1 Ų66.150%0.49636%0.363SS..EExtended strand (participates in β ladder)trans-132.3119.6174-61.3-65173.5-169.30111.3F136 L138K103-F136 HydrophobicContact CB-CB 4.26Å; K103-F136 PolarHBondContact N-O 2.89Å; K103-F136 PolarHBondContact O-N 2.87Å; K103-L138 HydrophobicContact CB-CD1 4.35Å; K103-L138 HydrophobicContact CG-CD1 3.69Å
104P96.5Very high89.9Confident72 Ų7265 Ų6547%0.46837%0.368SS..SBendcis-62.2154.5-9.829.6-36.1000111.7F102 C106F102-P104 CarbonylContact O-C 3.37Å; P104-C106 WeakPolarHBondContact CG-O 3.05Å; P104-C106 PolarHBondContact O-N 2.99Å
105P94.6Very high90Very high66 Ų6665.3 Ų65.343%0.42938%0.375SS..SBendtrans-71.2-19.1177.530.2-35.4000112.5V90V90-P105 WeakPolarHBondContact CB-O 3.5Å; V90-P105 WeakPolarHBondContact CG2-O 3.06Å; V90-P105 PolarHBondContact N-O 2.98Å
106C96.8Very high90.3Very high46 Ų4659.4 Ų59.431%0.31135%0.345SS..EExtended strand (participates in β ladder)trans-126.9153.3-179-50.60000111.7C87 I88 P104C87-C106 WeakPolarHBondContact SG-CB 3.03Å; I88-C106 CarbonylContact O-C 3.56Å; I88-C106 WeakPolarHBondContact O-CA 3.46Å; I88-C106 WeakPolarHBondContact O-CB 3Å; P104-C106 WeakPolarHBondContact CG-O 3.05Å; P104-C106 PolarHBondContact O-N 2.99Å
107V97.1Very high90.9Very high14 Ų1460.6 Ų60.69%0.08535%0.349CS..EExtended strand (participates in β ladder)trans-131.4149.1174.7-65.10000110.8I88 V90 K133 I135 I150 V152I88-V107 HydrophobicContact CD1-CG2 4.05Å; I88-V107 HydrophobicContact CG1-CG2 3.71Å; I88-V107 WeakPolarHBondContact CG1-O 3.02Å; I88-V107 PolarHBondContact N-O 3.34Å; I88-V107 PolarHBondContact O-N 3.25Å; V90-V107 HydrophobicContact CG2-CB 4.41Å; V90-V107 HydrophobicContact CG2-CG1 3.79Å; V90-V107 HydrophobicContact CG2-CG2 3.99Å; V107-K133 HydrophobicContact CB-CG 4.21Å; V107-K133 HydrophobicContact CG1-CB 4.16Å; V107-K133 HydrophobicContact CG1-CG 4.27Å; V107-K133 HydrophobicContact CG2-CG 4.33Å; V107-I135 HydrophobicContact CG1-CG2 4.02Å; V107-I150 HydrophobicContact CG1-CD1 4.49Å; V107-V152 HydrophobicContact CG2-CG2 4.18Å
108S97.7Very high91.7Very high44 Ų4457.1 Ų57.131%0.30834%0.335SS..EExtended strand (participates in β ladder)trans-85.4126.1175.4171.30000111.5E85 T86 K133E85-S108 VanDerWaalsContact CD-OG 3.25Å; E85-S108 WeakPolarHBondContact CG-OG 3.45Å; E85-S108 PolarHBondContact OE1-OG 3.29Å; T86-S108 WeakPolarHBondContact O-CA 3.47Å; S108-K133 WeakPolarHBondContact O-CE 3.46Å; S108-K133 PolarHBondContact O-NZ 3.23Å
109V97.7Very high92.2Very high2 Ų258 Ų581%0.01233%0.33CS..EExtended strand (participates in β ladder)trans-145.2163.9173-65.90000111.1T86 I88 R111 V131 V152T86-V109 PolarHBondContact N-O 3.19Å; T86-V109 PolarHBondContact O-N 2.04Å; T86-V109 VanDerWaalsContact O-O 3.11Å; T86-V109 PolarHBondContact OG1-O 2.99Å; T86-V109 VanDerWaalsContact OG1-O 3.06Å; I88-V109 HydrophobicContact CD1-CG2 3.88Å; I88-V109 HydrophobicContact CG1-CG2 4.02Å; I88-V109 HydrophobicContact CG2-CG2 3.8Å; V109-R111 HydrophobicContact CG2-CG 4.33Å; V109-V131 HydrophobicContact CG1-CG2 4Å; V109-V152 HydrophobicContact CB-CG1 4.32Å; V109-V152 HydrophobicContact CG1-CB 4.12Å; V109-V152 HydrophobicContact CG1-CG1 3.55Å; V109-V152 HydrophobicContact CG2-CG1 4.05Å
110H98.1Very high92.4Very high76 Ų7656.9 Ų56.935%0.35233%0.328SS..EExtended strand (participates in β ladder)trans-86128.9173.2-62.669.1000111.1P83 R84 N154 H155P83-H110 HydrophobicContact CB-CB 4.05Å; R84-H110 CarbonylContact O-C 3.58Å; R84-H110 VanDerWaalsContact O-CA 3.24Å; R84-H110 WeakPolarHBondContact O-CA 3.03Å; H110-N154 WeakPolarHBondContact CA-OD1 3.45Å; H110-N154 WeakPolarHBondContact CB-OD1 3.17Å; H110-N154 PolarHBondContact N-OD1 2.81Å; H110-N154 PolarHBondContact ND1-OD1 3.4Å; H110-H155 PolarHBondContact O-N 2.83Å
111R97.6Very high92.5Very high54 Ų5457.9 Ų57.920%0.20433%0.332CS..EExtended strand (participates in β ladder)trans-123.2155.1170.8-63.6-67.9168.992.5-9.2109.2R84 T86 I88 E93 V109 G113 A153R84-R111 PolarHBondContact N-O 2.95Å; R84-R111 PolarHBondContact O-N 3.37Å; T86-R111 HydrophobicContact CG2-CB 4.17Å; T86-R111 WeakPolarHBondContact OG1-CB 3.43Å; T86-R111 WeakPolarHBondContact OG1-CG 3.26Å; I88-R111 HydrophobicContact CG2-CG 4.41Å; E93-R111 IonicContact OE1-CZ 3.94Å; E93-R111 IonicContact OE1-NH2 3.86Å; E93-R111 PolarHBondContact OE1-NH2 2.03Å; E93-R111 IonicContact OE2-CZ 2.69Å; E93-R111 IonicContact OE2-NH1 2.8Å; E93-R111 PolarHBondContact OE2-NH1 3.49Å; E93-R111 VanDerWaalsContact OE2-NH1 3.13Å; E93-R111 IonicContact OE2-NH2 3.41Å; E93-R111 PolarHBondContact OE2-NH2 2.91Å; V109-R111 HydrophobicContact CG2-CG 4.33Å; R111-G113 PolarHBondContact O-N 2.88Å; R111-A153 PolarHBondContact NE-O 3.5Å; R111-A153 PolarHBondContact NH2-O 2.85Å
112C97.2Very high92.6Very high26 Ų2655 Ų5518%0.17632%0.324CS..EExtended strand (participates in β ladder)trans-72.4126.6177.7-69.50000108.6N125 H155 C158C112-N125 WeakPolarHBondContact SG-CA 3.33Å; C112-N125 PolarHBondContact SG-N 3.41Å; C112-H155 PolarHBondContact N-ND1 2.91Å; C112-H155 PolarHBondContact SG-ND1 3.4Å; C112-C158 WeakPolarHBondContact CA-SG 3.49Å; C112-C158 HydrophobicContact CB-CB 3.84Å; C112-C158 WeakPolarHBondContact CB-SG 3.06Å; C112-C158 WeakPolarHBondContact SG-CB 3.33Å; C112-C158 CovalentContact SG-SG 2.03Å; C112-C158 PolarHBondContact SG-SG 3.36Å
113G94.6Very high92.7Very high21 Ų2155.2 Ų55.222%0.21633%0.328CS..EExtended strand (participates in β ladder)trans-149.3167.9178.700000111.3C81 M82 R84 R111C81-G113 WeakPolarHBondContact CA-O 3.35Å; M82-G113 PolarHBondContact N-O 2.85Å; M82-G113 VanDerWaalsContact N-O 3.08Å; M82-G113 PolarHBondContact O-N 2.03Å; M82-G113 VanDerWaalsContact O-N 3.12Å; R84-G113 PolarHBondContact NE-O 3.08Å; R111-G113 PolarHBondContact O-N 2.88Å
114G93Very high92.7Very high38 Ų3854.8 Ų54.839%0.39232%0.323SS..SBendtrans111-174.3-170.900000111.9I79I79-G114 CarbonylContact O-C 3.56Å; I79-G114 WeakPolarHBondContact O-CA 3.47Å
115C91.5Very high92.6Very high74 Ų7454.6 Ų54.650%0.532%0.318SS..BIsolated β-bridgetrans-110.4151.4-174.3-63.60000111.1I79I79-C115 HydrophobicContact CD1-CB 4.2Å; I79-C115 PolarHBondContact O-N 3.04Å
116C91Very high92.7Very high25 Ų2555 Ų5517%0.16932%0.32CS..  trans-105.4147165.4-63.80000108.3L121 C160C116-L121 HydrophobicContact CB-CB 3.81Å; C116-C160 VanDerWaalsContact CA-SG 3.53Å; C116-C160 HydrophobicContact CB-CB 3.89Å; C116-C160 WeakPolarHBondContact CB-SG 3.13Å; C116-C160 VanDerWaalsContact SG-CA 3.56Å; C116-C160 WeakPolarHBondContact SG-CB 3.04Å; C116-C160 CovalentContact SG-SG 2.04Å; C116-C160 PolarHBondContact SG-SG 2.79Å
117N87.4Confident92.7Very high63 Ų6355.1 Ų55.134%0.33732%0.321SS..SBendtrans-74.8-30.3-176.5-51.6-56.2000112R9 S11 S12R9-N117 CarbonylContact O-C 3.47Å; S11-N117 WeakPolarHBondContact O-CB 3.46Å; S11-N117 PolarHBondContact O-ND2 3.34Å; S11-N117 PolarHBondContact O-OD1 2.81Å; S12-N117 WeakPolarHBondContact CA-ND2 3.45Å
118D83.6Confident92.8Very high81 Ų8156.7 Ų56.743%0.43333%0.331SS..SBendtrans-91.3130.2175.4-164.3-29.8000111G120 L121D118-G120 PolarHBondContact O-N 3.27Å; D118-G120 PolarHBondContact OD1-N 3.21Å; D118-L121 HydrophobicContact CB-CB 4.47Å; D118-L121 HydrophobicContact CB-CD1 3.8Å; D118-L121 HydrophobicContact CB-CG 3.9Å; D118-L121 PolarHBondContact O-N 3.28Å
119E78.8Confident92.8Very high162 Ų16257.9 Ų57.976%0.75734%0.336SS*.THydrogen-bonded Turntrans-59.1-24.8177.6-66176.7-167.900112.7R9 L121R9-E119 IonicContact CZ-OE1 2.96Å; R9-E119 IonicContact NH1-OE1 2.7Å; R9-E119 PolarHBondContact NH1-OE1 3.3Å; E119-L121 VanDerWaalsContact C-N 3.3Å
120G81.9Confident92.7Very high40 Ų4065.6 Ų65.641%0.41237%0.366SS..THydrogen-bonded Turntrans-78.9-8.3176.400000114.7D118 P163D118-G120 PolarHBondContact O-N 3.27Å; D118-G120 PolarHBondContact OD1-N 3.21Å; G120-P163 WeakPolarHBondContact O-CD 3.45Å
121L89.2Confident92.6Very high55 Ų5563.8 Ų63.829%0.28836%0.36SS..  trans-108145.5-173.3-60.1178.6000112.1C116 D118 E119 C160 E162C116-L121 HydrophobicContact CB-CB 3.81Å; D118-L121 HydrophobicContact CB-CB 4.47Å; D118-L121 HydrophobicContact CB-CD1 3.8Å; D118-L121 HydrophobicContact CB-CG 3.9Å; D118-L121 PolarHBondContact O-N 3.28Å; E119-L121 VanDerWaalsContact C-N 3.3Å; L121-C160 HydrophobicContact CB-CB 4.08Å; L121-C160 HydrophobicContact CD1-CB 3.99Å; L121-E162 HydrophobicContact CD2-CB 4.49Å; L121-E162 HydrophobicContact CD2-CG 3.73Å
122T91.9Very high92.6Very high58 Ų5865.5 Ų65.536%0.35637%0.373SS..EExtended strand (participates in β ladder)trans-122.8139.8175.7560000110R124 M161 P163T122-R124 PolarHBondContact O-N 2.83Å; T122-R124 WeakPolarHBondContact OG1-CD 3.44Å; T122-M161 PolarHBondContact N-O 3.33Å; T122-M161 PolarHBondContact O-N 3.25Å; T122-M161 PolarHBondContact OG1-O 3.47Å; T122-P163 HydrophobicContact CG2-CB 4.44Å
123C94.9Very high92.6Very high29 Ų2967.4 Ų67.420%0.19638%0.379CS..EExtended strand (participates in β ladder)trans-74113.4177.7-176.50000109.6C81C81-C123 WeakPolarHBondContact CA-SG 3.45Å; C81-C123 HydrophobicContact CB-CB 3.79Å; C81-C123 WeakPolarHBondContact CB-SG 3.27Å; C81-C123 WeakPolarHBondContact SG-CA 3.39Å; C81-C123 WeakPolarHBondContact SG-CB 3.34Å; C81-C123 CovalentContact SG-SG 2.03Å; C81-C123 PolarHBondContact SG-SG 3.22Å
124R94.8Very high92.7Very high104 Ų10471.4 Ų71.439%0.39240%0.399SS..EExtended strand (participates in β ladder)trans-129.9154.9-174.1-64.4179.871179.62.1110.9T122 C158 R159 M161T122-R124 PolarHBondContact O-N 2.83Å; T122-R124 WeakPolarHBondContact OG1-CD 3.44Å; R124-C158 CarbonylContact O-C 3.52Å; R124-C158 VanDerWaalsContact O-CA 3.24Å; R124-C158 WeakPolarHBondContact O-CA 3.24Å; R124-R159 PolarHBondContact N-O 2.68Å; R124-R159 PolarHBondContact O-N 3.43Å; R124-M161 HydrophobicContact CB-SD 4.38Å
125N96.3Very high92.9Very high68 Ų6869.9 Ų69.936%0.36438%0.382SS..EExtended strand (participates in β ladder)trans-72.8138.3175.662-57.6000111.2C112 T128 H155 A157C112-N125 WeakPolarHBondContact SG-CA 3.33Å; C112-N125 PolarHBondContact SG-N 3.41Å; N125-T128 PolarHBondContact ND2-OG1 2.97Å; N125-H155 HydrophobicContact CB-CB 4.29Å; N125-A157 WeakPolarHBondContact CA-O 3.38Å
126T96.1Very high93Very high76 Ų7671.2 Ų71.247%0.46638%0.379SS..EExtended strand (participates in β ladder)trans-103.8-26.3170.451.40000111.4A157 R159 M161T126-A157 PolarHBondContact N-O 3.26Å; T126-A157 VanDerWaalsContact OG1-C 3.31Å; T126-A157 VanDerWaalsContact OG1-CB 3.25Å; T126-A157 WeakPolarHBondContact OG1-CB 3.33Å; T126-A157 PolarHBondContact OG1-O 2.91Å; T126-R159 HydrophobicContact CG2-CB 3.58Å; T126-M161 HydrophobicContact CG2-SD 4.31Å
127S96.9Very high93.1Very high48 Ų4871 Ų7134%0.33638%0.378SS..EExtended strand (participates in β ladder)trans-142.7144.8173.261.80000111.7T156 A157S127-T156 WeakPolarHBondContact CB-OG1 3.36Å; S127-T156 PolarHBondContact O-N 2.96Å; S127-T156 PolarHBondContact O-OG1 3.47Å; S127-T156 PolarHBondContact OG-OG1 2.92Å; S127-A157 PolarHBondContact N-O 3.48Å; S127-A157 PolarHBondContact O-N 2.82Å; S127-A157 VanDerWaalsContact OG-CB 3.25Å; S127-A157 WeakPolarHBondContact OG-CB 3.44Å; S127-A157 PolarHBondContact OG-N 3.34Å
128T97.8Very high93.3Very high47 Ų4770.1 Ų70.129%0.28837%0.373SS..EExtended strand (participates in β ladder)trans-137.7140.1-178.5-59.80000109.1N125 A153 N154N125-T128 PolarHBondContact ND2-OG1 2.97Å; T128-A153 HydrophobicContact CG2-CB 3.82Å; T128-N154 WeakPolarHBondContact CA-O 3.44Å
129V97.7Very high93.5Very high68 Ų6869 Ų6941%0.41237%0.37SS..EExtended strand (participates in β ladder)trans-117.4152.2166.7-59.10000108.9V131 N154 T156V129-V131 HydrophobicContact CG2-CG1 4.35Å; V129-N154 HydrophobicContact CG2-CB 4.07Å; V129-N154 PolarHBondContact N-O 3.16Å; V129-N154 WeakPolarHBondContact O-CA 3.35Å; V129-N154 WeakPolarHBondContact O-CB 3.44Å; V129-N154 PolarHBondContact O-N 3.31Å; V129-N154 VanDerWaalsContact O-O 3.13Å; V129-T156 HydrophobicContact CB-CG2 4.4Å; V129-T156 HydrophobicContact CG1-CG2 3.91Å; V129-T156 HydrophobicContact CG2-CG2 3.72Å
130Y96.9Very high93.7Very high165 Ų16564.6 Ų64.665%0.64736%0.355SS*.EExtended strand (participates in β ladder)trans-96125173.9-73.9-94.2000109.3K151 V152 A153Y130-K151 HydrophobicContact CD1-CB 4.37Å; Y130-V152 WeakPolarHBondContact CA-O 3.37Å; Y130-A153 HydrophobicContact CE1-CB 4.16Å
131V96.7Very high93.8Very high37 Ų3772.6 Ų72.622%0.22438%0.379CS..EExtended strand (participates in β ladder)trans-105.6139.7176.1-62.60000109.8V109 V129 V152 N154V109-V131 HydrophobicContact CG1-CG2 4Å; V129-V131 HydrophobicContact CG2-CG1 4.35Å; V131-V152 PolarHBondContact N-O 3.04Å; V131-V152 PolarHBondContact O-N 2.88Å; V131-N154 HydrophobicContact CB-CB 4.5Å; V131-N154 HydrophobicContact CG1-CB 3.8Å; V131-N154 HydrophobicContact CG2-CB 3.97Å
132N96.9Very high93.2Very high90 Ų9073.8 Ų73.848%0.48139%0.385SS..EExtended strand (participates in β ladder)trans-81.7134.6175.1-64.7-26000109.6L149 I150 K151N132-L149 HydrophobicContact CB-CD1 3.79Å; N132-L149 HydrophobicContact CB-CD2 4Å; N132-L149 HydrophobicContact CB-CG 3.9Å; N132-I150 CarbonylContact C-O 3.45Å; N132-I150 VanDerWaalsContact CA-O 3.28Å; N132-I150 WeakPolarHBondContact CA-O 3.33Å; N132-K151 WeakPolarHBondContact OD1-CG 3.39Å
133K96.8Very high92.6Very high66 Ų6678.5 Ų78.529%0.28741%0.408SS..EExtended strand (participates in β ladder)trans-125137.6170.8-58.7-69.4-169.9173.70108.8V107 S108 L149 I150 V152V107-K133 HydrophobicContact CB-CG 4.21Å; V107-K133 HydrophobicContact CG1-CB 4.16Å; V107-K133 HydrophobicContact CG1-CG 4.27Å; V107-K133 HydrophobicContact CG2-CG 4.33Å; S108-K133 WeakPolarHBondContact O-CE 3.46Å; S108-K133 PolarHBondContact O-NZ 3.23Å; K133-L149 WeakPolarHBondContact O-CA 3.44Å; K133-I150 HydrophobicContact CB-CD1 4.27Å; K133-I150 HydrophobicContact CB-CG1 3.8Å; K133-I150 PolarHBondContact N-O 2.79Å; K133-I150 WeakPolarHBondContact O-CG1 3.41Å; K133-I150 PolarHBondContact O-N 2.93Å; K133-V152 HydrophobicContact CG-CG2 4.42Å
134T97.1Very high92.4Very high106 Ų10681.9 Ų81.965%0.6543%0.427SS*.EExtended strand (participates in β ladder)trans-98126.9176.7-50.80000109L149T134-L149 WeakPolarHBondContact OG1-CD1 3.24Å
135I95.8Very high92.3Very high5 Ų579.9 Ų79.93%0.02643%0.428CS..EExtended strand (participates in β ladder)trans-138.9167.5-179.763.5174.9000109.7V90 F102 V107 P147 V148 I150V90-I135 HydrophobicContact CG1-CD1 3.64Å; F102-I135 HydrophobicContact CB-CD1 4.05Å; F102-I135 HydrophobicContact CD1-CD1 3.33Å; F102-I135 HydrophobicContact CD1-CG1 4.28Å; F102-I135 HydrophobicContact CE1-CD1 4Å; F102-I135 HydrophobicContact CG-CD1 3.87Å; V107-I135 HydrophobicContact CG1-CG2 4.02Å; I135-P147 CarbonylContact O-C 3.53Å; I135-P147 WeakPolarHBondContact O-CA 3.09Å; I135-V148 PolarHBondContact N-O 2.79Å; I135-V148 PolarHBondContact O-N 3.12Å; I135-I150 HydrophobicContact CD1-CD1 3.94Å; I135-I150 HydrophobicContact CD1-CG1 4.22Å; I135-I150 HydrophobicContact CD1-CG2 3.61Å; I135-I150 HydrophobicContact CG1-CG2 4.01Å
136F95.6Very high92.1Very high102 Ų10282.5 Ų82.545%0.44744%0.438SS..EExtended strand (participates in β ladder)trans-94.6136.1167.6-68-67.7000111.2F102 K103 L138 P145 E146 P147F102-F136 CarbonylContact C-O 3.52Å; F102-F136 VanDerWaalsContact CA-O 3.3Å; F102-F136 WeakPolarHBondContact CA-O 3.38Å; K103-F136 HydrophobicContact CB-CB 4.26Å; K103-F136 PolarHBondContact N-O 2.89Å; K103-F136 PolarHBondContact O-N 2.87Å; F136-L138 HydrophobicContact CB-CD1 4.43Å; F136-P145 HydrophobicContact CB-CB 4.04Å; F136-P145 HydrophobicContact CD1-CB 3.86Å; F136-P145 HydrophobicContact CG-CB 4.05Å; F136-E146 CarbonylContact C-O 3.53Å; F136-E146 WeakPolarHBondContact CA-O 3.43Å; F136-P147 HydrophobicContact CD1-CB 4.24Å; F136-P147 HydrophobicContact CE1-CB 4.01Å
137S92.7Very high92Very high20 Ų2082.9 Ų82.914%0.1444%0.442CS..EExtended strand (participates in β ladder)trans-102.2134.9167.7179.20000109.2V100 E146V100-S137 WeakPolarHBondContact CG1-OG 3.34Å; S137-E146 PolarHBondContact N-O 3.01Å; S137-E146 PolarHBondContact O-N 3.33Å
138L91.1Very high91.9Very high45 Ų4583 Ų8324%0.23644%0.44CS..EExtended strand (participates in β ladder)trans-125.7132.1173.5-60.393.5000109.2F101 K103 F136 P145F101-L138 HydrophobicContact CB-CB 4.38Å; F101-L138 PolarHBondContact N-O 3.49Å; F101-L138 PolarHBondContact O-N 2.86Å; K103-L138 HydrophobicContact CB-CD1 4.35Å; K103-L138 HydrophobicContact CG-CD1 3.69Å; F136-L138 HydrophobicContact CB-CD1 4.43Å; L138-P145 HydrophobicContact CD2-CB 4.41Å; L138-P145 HydrophobicContact CD2-CG 4.05Å; L138-P145 HydrophobicContact CG-CB 4.19Å; L138-P145 HydrophobicContact CG-CG 4.37Å
139T88.3Confident91.8Very high58 Ų5885.6 Ų85.636%0.35645%0.452SS..EExtended strand (participates in β ladder)trans-110.8143.1172.239.60000109.7V100 F141 N142V100-T139 HydrophobicContact CG2-CG2 4.01Å; T139-F141 PolarHBondContact O-N 3.12Å; T139-N142 CarbonylContact O-C 3.57Å; T139-N142 PolarHBondContact O-N 3.3Å
140P83.4Confident91.6Very high70 Ų7082.7 Ų82.746%0.45543%0.434SS..THydrogen-bonded Turntrans-52.8-32.5-176.4-2931.3000114.9S99 F101S99-P140 WeakPolarHBondContact O-CD 3.05Å; F101-P140 HydrophobicContact CE2-CG 4.24Å
141F82.9Confident91.5Very high208 Ų20881.6 Ų81.691%0.91243%0.432SS*.THydrogen-bonded Turntrans-90.4-7.5-177.6-54.4-70.8000113.6T139T139-F141 PolarHBondContact O-N 3.12Å
142N77.8Confident91.5Very high79 Ų7979.8 Ų79.842%0.42242%0.422SS..EExtended strand (participates in β ladder)trans-130.6102.2177.4-169.20.6000110T139 V144T139-N142 CarbonylContact O-C 3.57Å; T139-N142 PolarHBondContact O-N 3.3Å; N142-V144 PolarHBondContact O-N 3.07Å; N142-V144 PolarHBondContact OD1-N 2.9Å
143L78.8Confident91.5Very high158 Ų15876.1 Ų76.183%0.82740%0.404SS*.EExtended strand (participates in β ladder)trans-73.2-5.5-175.6-65.8170.6000113.6P145L143-P145 WeakPolarHBondContact O-CD 3.17Å
144V90.3Very high91.5Very high99 Ų9974.3 Ų74.360%0.640%0.397SS*.EExtended strand (participates in β ladder)trans-87.3118.4178.2-176.90000109.3N142 E146N142-V144 PolarHBondContact O-N 3.07Å; N142-V144 PolarHBondContact OD1-N 2.9Å; V144-E146 PolarHBondContact O-N 3.31Å
145P92.1Very high91.5Very high63 Ų6370.7 Ų70.741%0.40937%0.373SS..EExtended strand (participates in β ladder)trans-65.5127175.4-17.931.1000111.2F136 L138 L143F136-P145 HydrophobicContact CB-CB 4.04Å; F136-P145 HydrophobicContact CD1-CB 3.86Å; F136-P145 HydrophobicContact CG-CB 4.05Å; L138-P145 HydrophobicContact CD2-CB 4.41Å; L138-P145 HydrophobicContact CD2-CG 4.05Å; L138-P145 HydrophobicContact CG-CB 4.19Å; L138-P145 HydrophobicContact CG-CG 4.37Å; L143-P145 WeakPolarHBondContact O-CD 3.17Å
146E92.1Very high91.6Very high122 Ų12273.9 Ų73.957%0.5739%0.393SS*.EExtended strand (participates in β ladder)trans-101.5126.5178.2-171.3179.1176.200110.3F136 S137 V144 V148F136-E146 CarbonylContact C-O 3.53Å; F136-E146 WeakPolarHBondContact CA-O 3.43Å; S137-E146 PolarHBondContact N-O 3.01Å; S137-E146 PolarHBondContact O-N 3.33Å; V144-E146 PolarHBondContact O-N 3.31Å; E146-V148 PolarHBondContact O-N 3.37Å
147P95Very high91.7Very high85 Ų8570.6 Ų70.655%0.55239%0.385SS*.EExtended strand (participates in β ladder)trans-71.3123.1175.128.8-32.5000110.4I135 F136I135-P147 CarbonylContact O-C 3.53Å; I135-P147 WeakPolarHBondContact O-CA 3.09Å; F136-P147 HydrophobicContact CD1-CB 4.24Å; F136-P147 HydrophobicContact CE1-CB 4.01Å
148V93.8Very high91.9Very high49 Ų4970.8 Ų70.830%0.29739%0.386SS..EExtended strand (participates in β ladder)trans-122.8139.1-179.7-178.40000109.9I135 E146 I150I135-V148 PolarHBondContact N-O 2.79Å; I135-V148 PolarHBondContact O-N 3.12Å; E146-V148 PolarHBondContact O-N 3.37Å; V148-I150 HydrophobicContact CG1-CG2 4.26Å
149L95.8Very high92.1Very high102 Ų10277 Ų7753%0.53441%0.406SS..EExtended strand (participates in β ladder)trans-93.2117.6171.9-163.773.5000109.5N132 K133 T134N132-L149 HydrophobicContact CB-CD1 3.79Å; N132-L149 HydrophobicContact CB-CD2 4Å; N132-L149 HydrophobicContact CB-CG 3.9Å; K133-L149 WeakPolarHBondContact O-CA 3.44Å; T134-L149 WeakPolarHBondContact OG1-CD1 3.24Å
150I94.2Very high92.4Very high8 Ų876.1 Ų76.14%0.04140%0.402CS..EExtended strand (participates in β ladder)trans-104.9146.6176.865.5161.1000110.4V90 L94 V107 N132 K133 I135 V148 V152V90-I150 HydrophobicContact CB-CD1 4.46Å; V90-I150 HydrophobicContact CG1-CD1 3.73Å; V90-I150 HydrophobicContact CG2-CD1 3.94Å; L94-I150 HydrophobicContact CD1-CB 4.19Å; L94-I150 HydrophobicContact CD1-CG2 3.7Å; V107-I150 HydrophobicContact CG1-CD1 4.49Å; N132-I150 CarbonylContact C-O 3.45Å; N132-I150 VanDerWaalsContact CA-O 3.28Å; N132-I150 WeakPolarHBondContact CA-O 3.33Å; K133-I150 HydrophobicContact CB-CD1 4.27Å; K133-I150 HydrophobicContact CB-CG1 3.8Å; K133-I150 PolarHBondContact N-O 2.79Å; K133-I150 WeakPolarHBondContact O-CG1 3.41Å; K133-I150 PolarHBondContact O-N 2.93Å; I135-I150 HydrophobicContact CD1-CD1 3.94Å; I135-I150 HydrophobicContact CD1-CG1 4.22Å; I135-I150 HydrophobicContact CD1-CG2 3.61Å; I135-I150 HydrophobicContact CG1-CG2 4.01Å; V148-I150 HydrophobicContact CG1-CG2 4.26Å; I150-V152 HydrophobicContact CD1-CG2 3.58Å; I150-V152 HydrophobicContact CG1-CG2 4.01Å
151K95.1Very high92.9Very high141 Ų14176.7 Ų76.761%0.61340%0.399SS*.EExtended strand (participates in β ladder)trans-103.3120.5174.4-78.7-179.2179.7-177.60109.4Y130 N132Y130-K151 HydrophobicContact CD1-CB 4.37Å; N132-K151 WeakPolarHBondContact OD1-CG 3.39Å
152V95.9Very high93.1Very high0 Ų074.3 Ų74.30%039%0.391CS..EExtended strand (participates in β ladder)trans-121.1137.8-176-1790000110.2I88 E93 V107 V109 Y130 V131 K133 I150 N154I88-V152 HydrophobicContact CD1-CG1 3.24Å; I88-V152 HydrophobicContact CG1-CG1 4.45Å; E93-V152 HydrophobicContact CG-CG1 4.2Å; V107-V152 HydrophobicContact CG2-CG2 4.18Å; V109-V152 HydrophobicContact CB-CG1 4.32Å; V109-V152 HydrophobicContact CG1-CB 4.12Å; V109-V152 HydrophobicContact CG1-CG1 3.55Å; V109-V152 HydrophobicContact CG2-CG1 4.05Å; Y130-V152 WeakPolarHBondContact CA-O 3.37Å; V131-V152 PolarHBondContact N-O 3.04Å; V131-V152 PolarHBondContact O-N 2.88Å; K133-V152 HydrophobicContact CG-CG2 4.42Å; I150-V152 HydrophobicContact CD1-CG2 3.58Å; I150-V152 HydrophobicContact CG1-CG2 4.01Å; V152-N154 PolarHBondContact O-N 3.49Å
153A96.2Very high93.2Very high13 Ų1373.8 Ų73.811%0.10739%0.392CS..EExtended strand (participates in β ladder)trans-66.1125.7175.200000111.3R111 T128 Y130R111-A153 PolarHBondContact NE-O 3.5Å; R111-A153 PolarHBondContact NH2-O 2.85Å; T128-A153 HydrophobicContact CG2-CB 3.82Å; Y130-A153 HydrophobicContact CE1-CB 4.16Å
154N97.7Very high92.8Very high27 Ų2769.7 Ų69.714%0.14438%0.381CS..EExtended strand (participates in β ladder)trans-123111.5178-17130.1000108.9H110 T128 V129 V131 V152H110-N154 WeakPolarHBondContact CA-OD1 3.45Å; H110-N154 WeakPolarHBondContact CB-OD1 3.17Å; H110-N154 PolarHBondContact N-OD1 2.81Å; H110-N154 PolarHBondContact ND1-OD1 3.4Å; T128-N154 WeakPolarHBondContact CA-O 3.44Å; V129-N154 HydrophobicContact CG2-CB 4.07Å; V129-N154 PolarHBondContact N-O 3.16Å; V129-N154 WeakPolarHBondContact O-CA 3.35Å; V129-N154 WeakPolarHBondContact O-CB 3.44Å; V129-N154 PolarHBondContact O-N 3.31Å; V129-N154 VanDerWaalsContact O-O 3.13Å; V131-N154 HydrophobicContact CB-CB 4.5Å; V131-N154 HydrophobicContact CG1-CB 3.8Å; V131-N154 HydrophobicContact CG2-CB 3.97Å; V152-N154 PolarHBondContact O-N 3.49Å
155H98.1Very high91.5Very high30 Ų3072.8 Ų72.814%0.13939%0.392CS..EExtended strand (participates in β ladder)trans-73.9134.5-177.1-61.1179.9000110H110 C112 N125H110-H155 PolarHBondContact O-N 2.83Å; C112-H155 PolarHBondContact N-ND1 2.91Å; C112-H155 PolarHBondContact SG-ND1 3.4Å; N125-H155 HydrophobicContact CB-CB 4.29Å
156T97.6Very high89.8Confident72 Ų7275.1 Ų75.144%0.44240%0.4SS..EExtended strand (participates in β ladder)trans-111-22-179.851.90000113.2S127 V129S127-T156 WeakPolarHBondContact CB-OG1 3.36Å; S127-T156 PolarHBondContact O-N 2.96Å; S127-T156 PolarHBondContact O-OG1 3.47Å; S127-T156 PolarHBondContact OG-OG1 2.92Å; V129-T156 HydrophobicContact CB-CG2 4.4Å; V129-T156 HydrophobicContact CG1-CG2 3.91Å; V129-T156 HydrophobicContact CG2-CG2 3.72Å
157A97.6Very high88Confident34 Ų3481 Ų8128%0.28142%0.417SS..EExtended strand (participates in β ladder)trans-146.1148.2171.900000110.9N125 T126 S127N125-A157 WeakPolarHBondContact CA-O 3.38Å; T126-A157 PolarHBondContact N-O 3.26Å; T126-A157 VanDerWaalsContact OG1-C 3.31Å; T126-A157 VanDerWaalsContact OG1-CB 3.25Å; T126-A157 WeakPolarHBondContact OG1-CB 3.33Å; T126-A157 PolarHBondContact OG1-O 2.91Å; S127-A157 PolarHBondContact N-O 3.48Å; S127-A157 PolarHBondContact O-N 2.82Å; S127-A157 VanDerWaalsContact OG-CB 3.25Å; S127-A157 WeakPolarHBondContact OG-CB 3.44Å; S127-A157 PolarHBondContact OG-N 3.34Å
158C97.2Very high85.9Confident24 Ų2486.4 Ų86.416%0.16243%0.427CS..EExtended strand (participates in β ladder)trans-131.9151.9-178.1-53.60000110.6P83 C112 R124P83-C158 VanDerWaalsContact CD-SG 3.51Å; C112-C158 WeakPolarHBondContact CA-SG 3.49Å; C112-C158 HydrophobicContact CB-CB 3.84Å; C112-C158 WeakPolarHBondContact CB-SG 3.06Å; C112-C158 WeakPolarHBondContact SG-CB 3.33Å; C112-C158 CovalentContact SG-SG 2.03Å; C112-C158 PolarHBondContact SG-SG 3.36Å; R124-C158 CarbonylContact O-C 3.52Å; R124-C158 VanDerWaalsContact O-CA 3.24Å; R124-C158 WeakPolarHBondContact O-CA 3.24Å
159R95.4Very high83.8Confident176 Ų17691.4 Ų91.466%0.66445%0.451SS*.EExtended strand (participates in β ladder)trans-148.3149.7173.4-164.4173.4-178.31691.6110.7R124 T126 M161R124-R159 PolarHBondContact N-O 2.68Å; R124-R159 PolarHBondContact O-N 3.43Å; T126-R159 HydrophobicContact CG2-CB 3.58Å; R159-M161 HydrophobicContact CB-CG 4.3Å; R159-M161 PolarHBondContact O-N 2.8Å
160C94.6Very high81.5Confident39 Ų3990.9 Ų90.926%0.26446%0.462SS..EExtended strand (participates in β ladder)trans-72.2118.3167.8-70.60000109.7C116 L121C116-C160 VanDerWaalsContact CA-SG 3.53Å; C116-C160 HydrophobicContact CB-CB 3.89Å; C116-C160 WeakPolarHBondContact CB-SG 3.13Å; C116-C160 VanDerWaalsContact SG-CA 3.56Å; C116-C160 WeakPolarHBondContact SG-CB 3.04Å; C116-C160 CovalentContact SG-SG 2.04Å; C116-C160 PolarHBondContact SG-SG 2.79Å; L121-C160 HydrophobicContact CB-CB 4.08Å; L121-C160 HydrophobicContact CD1-CB 3.99Å
161M92.1Very high79.3Confident82 Ų8298.5 Ų98.540%0.40450%0.497SS..EExtended strand (participates in β ladder)trans-133.4148.5-176.7-57.6178.28200109.9T122 R124 T126 R159T122-M161 PolarHBondContact N-O 3.33Å; T122-M161 PolarHBondContact O-N 3.25Å; T122-M161 PolarHBondContact OG1-O 3.47Å; R124-M161 HydrophobicContact CB-SD 4.38Å; T126-M161 HydrophobicContact CG2-SD 4.31Å; R159-M161 HydrophobicContact CB-CG 4.3Å; R159-M161 PolarHBondContact O-N 2.8Å
162E88.7Confident77.1Confident157 Ų15798.7 Ų98.773%0.73450%0.504SS*.PPolyproline II helixtrans-59.9135.9170.3-70.7-179173.400109.5L121 A164L121-E162 HydrophobicContact CD2-CB 4.49Å; L121-E162 HydrophobicContact CD2-CG 3.73Å; E162-A164 PolarHBondContact O-N 2.84Å
163P78.9Confident74.5Confident68 Ų68109.6 Ų109.644%0.44255%0.546SS..PPolyproline II helixtrans-62.8139.1175.323.7-29.6000109.5G120 T122 I165G120-P163 WeakPolarHBondContact O-CD 3.45Å; T122-P163 HydrophobicContact CG2-CB 4.44Å; P163-I165 PolarHBondContact O-N 2.8Å
164A70.6Confident72Confident72 Ų72120 Ų12060%0.59558%0.582SS**PPolyproline II helixtrans-59.3117.7170.400000107.2E162 I166E162-A164 PolarHBondContact O-N 2.84Å; A164-I166 PolarHBondContact O-N 2.04Å
165I62.4Low69.5Low164 Ų164129.6 Ų129.684%0.84162%0.616SS**SBendtrans-42.2100.4-164.2-57.7162.3000111.5P163P163-I165 PolarHBondContact O-N 2.8Å
166I57.8Low66.9Low113 Ų113134.2 Ų134.258%0.57965%0.652SS**  trans-127.6109.8159.4-62.7174.4000104.8A164 R168A164-I166 PolarHBondContact O-N 2.04Å; I166-R168 HydrophobicContact CG2-CB 4.35Å; I166-R168 HydrophobicContact CG2-CG 3.69Å; I166-R168 PolarHBondContact O-N 3.08Å
167R52.8Low64.6Low245 Ų245133.5 Ų133.593%0.92566%0.659SS**  trans-64.272.2165-74.5-175.8168134.7-2.8109.1
168R52.1Low62.5Low199 Ų199133.6 Ų133.675%0.75166%0.657SS**  trans-91.5112.6157.3-82.9167-167.6171.15.9104.6I166 A170I166-R168 HydrophobicContact CG2-CB 4.35Å; I166-R168 HydrophobicContact CG2-CG 3.69Å; I166-R168 PolarHBondContact O-N 3.08Å; R168-A170 PolarHBondContact O-N 2.73Å
169N50.1Low60.5Low153 Ų153135.4 Ų135.482%0.81867%0.669SS**  trans-57.487.6159.7-68-31.5000106.1Q171N169-Q171 PolarHBondContact O-N 2.83Å
170A47Very low58.4Low91 Ų91129.2 Ų129.275%0.75265%0.648SS**  trans-63.497.4166.300000104.4R168 L172R168-A170 PolarHBondContact O-N 2.73Å; A170-L172 VanDerWaalsContact C-N 3.29Å; A170-L172 PolarHBondContact O-N 2.74Å
171Q47.9Very low56.3Low168 Ų168133.6 Ų133.679%0.78567%0.667SS**  trans-53104167.5-75.6-89.6-13.400105.4N169 R173N169-Q171 PolarHBondContact O-N 2.83Å; Q171-R173 VanDerWaalsContact C-N 3.31Å; Q171-R173 PolarHBondContact O-N 3.36Å
172L49.1Very low54.3Low146 Ų146139.8 Ų139.876%0.76469%0.685SS**  trans-55.7102173.3-163.896.8000105.3A170 R174A170-L172 VanDerWaalsContact C-N 3.29Å; A170-L172 PolarHBondContact O-N 2.74Å; L172-R174 HydrophobicContact CD2-CG 4.2Å; L172-R174 PolarHBondContact O-N 3.04Å
173R41.2Very low52.4Low229 Ų229138.4 Ų138.486%0.86468%0.679SS**  trans-6595.1168.6-76.2-66.8-166.5-1752.3104.6Q171 R175Q171-R173 VanDerWaalsContact C-N 3.31Å; Q171-R173 PolarHBondContact O-N 3.36Å; R173-R175 PolarHBondContact O-N 3.03Å
174R42.6Very low50.9Low230 Ų230140.1 Ų140.187%0.86868%0.682SS**  trans-58.791.4167.2-71.3-170-171.7-170.23.6106.2L172L172-R174 HydrophobicContact CD2-CG 4.2Å; L172-R174 PolarHBondContact O-N 3.04Å
175R44.9Very low50Low230 Ų230144 Ų14487%0.86869%0.692SS**  trans-67.9142.7160.3-96.5-178171.8-155.4-2.5107.1R173 G177R173-R175 PolarHBondContact O-N 3.03Å; R175-G177 PolarHBondContact O-N 3.5Å
176S44Very low49.2Very low127 Ų127144.6 Ų144.689%0.88869%0.691SS**  trans-45.3100.3173.60.20000109.3
177G50.4Low48.5Very low57 Ų57141.6 Ų141.659%0.58868%0.684SS**  trans-69.2163.5169.400000109.9R175R175-G177 PolarHBondContact O-N 3.5Å
178C52.6Low48.1Very low35 Ų35139.7 Ų139.724%0.23668%0.682CS.*  trans-53.1128168.6-170.50000108.8L180 M181 C202C178-L180 PolarHBondContact O-N 3.37Å; C178-M181 PolarHBondContact O-N 2.8Å; C178-C202 HydrophobicContact CB-CB 3.99Å; C178-C202 WeakPolarHBondContact CB-SG 3.04Å; C178-C202 VanDerWaalsContact SG-CA 3.56Å; C178-C202 WeakPolarHBondContact SG-CB 3.34Å; C178-C202 CovalentContact SG-SG 2.05Å; C178-C202 PolarHBondContact SG-SG 2.77Å
179P54.8Low47.9Very low63 Ų63137.7 Ų137.741%0.40969%0.686SS.*Hα-helixtrans-51.3-35.3-171.4-30.236.1000114M181 R182 E183P179-M181 VanDerWaalsContact C-N 3.31Å; P179-M181 PolarHBondContact O-N 2.77Å; P179-R182 WeakPolarHBondContact O-CB 3.21Å; P179-R182 PolarHBondContact O-N 3.3Å; P179-E183 PolarHBondContact O-N 3.13Å
180L50.9Low47.6Very low46 Ų46135.5 Ų135.524%0.24168%0.683CS.*Hα-helixtrans-58.6-32.5176.5-83.3-169.3000114.9C178 R182 E183 M184 L193 W200C178-L180 PolarHBondContact O-N 3.37Å; L180-R182 PolarHBondContact O-N 3.21Å; L180-E183 PolarHBondContact O-N 2.96Å; L180-M184 WeakPolarHBondContact O-CB 3.28Å; L180-M184 VanDerWaalsContact O-CG 3.24Å; L180-M184 WeakPolarHBondContact O-CG 3.19Å; L180-M184 PolarHBondContact O-N 3.25Å; L180-L193 HydrophobicContact CD1-CD2 4Å; L180-W200 HydrophobicContact CD1-CD2 3.69Å; L180-W200 HydrophobicContact CD1-CE3 4.27Å; L180-W200 HydrophobicContact CD1-CG 4.15Å; L180-W200 HydrophobicContact CD1-CH2 4.02Å; L180-W200 HydrophobicContact CD1-CZ2 3.4Å; L180-W200 VanDerWaalsContact CD1-CZ2 3.4Å; L180-W200 HydrophobicContact CD1-CZ3 4.43Å; L180-W200 HydrophobicContact CG-CZ2 3.92Å
181M51.7Low47.9Very low131 Ų131134.6 Ų134.665%0.64568%0.683SS**Hα-helixtrans-69-25.9177.8-82.2-13877.400112.5C178 P179C178-M181 PolarHBondContact O-N 2.8Å; P179-M181 VanDerWaalsContact C-N 3.31Å; P179-M181 PolarHBondContact O-N 2.77Å
182R50.1Low48.2Very low212 Ų212134.6 Ų134.680%0.868%0.675SS**Hα-helixtrans-79.7-36.5-179.9-175.6174.8146.4160.6-6.2111.5P179 L180P179-R182 WeakPolarHBondContact O-CB 3.21Å; P179-R182 PolarHBondContact O-N 3.3Å; L180-R182 PolarHBondContact O-N 3.21Å
183E48.1Very low48.8Very low128 Ų128132.5 Ų132.560%0.59866%0.664SS**Hα-helixtrans-78.9-29.1177-70.9173.7158.500112.8P179 L180 L185 E186 A187P179-E183 PolarHBondContact O-N 3.13Å; L180-E183 PolarHBondContact O-N 2.96Å; E183-L185 VanDerWaalsContact C-N 3.3Å; E183-L185 PolarHBondContact O-N 3.06Å; E183-E186 PolarHBondContact O-N 2.85Å; E183-E186 VanDerWaalsContact O-N 3.12Å; E183-A187 PolarHBondContact O-N 2.94Å
184M47.4Very low50Low103 Ų103122.5 Ų122.551%0.50763%0.63SS.*THydrogen-bonded Turntrans-66.8-22.3176.2-84-179.252.600115.1L180 L193L180-M184 WeakPolarHBondContact O-CB 3.28Å; L180-M184 VanDerWaalsContact O-CG 3.24Å; L180-M184 WeakPolarHBondContact O-CG 3.19Å; L180-M184 PolarHBondContact O-N 3.25Å; M184-L193 HydrophobicContact SD-CD2 4.03Å
185L51.3Low51Low154 Ų154114.7 Ų114.781%0.80661%0.614SS**THydrogen-bonded Turntrans-71.7-22.3173.6-91.2150.5000112.1E183E183-L185 VanDerWaalsContact C-N 3.3Å; E183-L185 PolarHBondContact O-N 3.06Å
186E46Very low51.8Low176 Ų176107.8 Ų107.882%0.82260%0.601SS**THydrogen-bonded Turntrans-101.2-27.8-177.5-62.5-171.116300112.2E183 K188E183-E186 PolarHBondContact O-N 2.85Å; E183-E186 VanDerWaalsContact O-N 3.12Å; E186-K188 PolarHBondContact O-N 3.06Å
187A43.2Very low52.6Low51 Ų51104 Ų10442%0.42158%0.582SS.*  trans-8891174.800000111.9E183 D189E183-A187 PolarHBondContact O-N 2.94Å; A187-D189 PolarHBondContact O-N 2.05Å
188K45Very low53.4Low205 Ų205107.4 Ų107.489%0.89158%0.577SS**SBendtrans-56.6119.8154.6-96.9-177.8172.3-1790107.3E186E186-K188 PolarHBondContact O-N 3.06Å
189D46.6Very low54.3Low157 Ų157108.2 Ų108.284%0.8458%0.578SS**  trans7493.2177.5-99.7-15.3000116.2A187A187-D189 PolarHBondContact O-N 2.05Å
190S45.3Very low55.4Low107 Ų107108.6 Ų108.675%0.74857%0.572SS**  trans-150.588.3150.8-73.60000108.8
191G53.1Low56.4Low72 Ų72108.6 Ų108.674%0.74257%0.572SS**  trans-64.9138176.900000112.3
192R54.8Low57.2Low167 Ų167105.4 Ų105.463%0.6356%0.562SS**  trans69.8101.1168.7-56.9176.8-162.8-120.60.4115.1T61 I62 C194T61-R192 VanDerWaalsContact CG2-CZ 3.47Å; I62-R192 HydrophobicContact CD1-CG 4.47Å; R192-C194 PolarHBondContact O-N 3.04Å
193L60.8Low58Low102 Ų102100.4 Ų100.453%0.53456%0.56SS.*SBendtrans-61.7-27.2177.5-68.9165.4000113.7L180 M184 C207L180-L193 HydrophobicContact CD1-CD2 4Å; M184-L193 HydrophobicContact SD-CD2 4.03Å; L193-C207 PolarHBondContact O-SG 2.79Å
194C65.7Low58.7Low20 Ų2096.4 Ų96.414%0.13555%0.546CS..SBendtrans-153159.9175.4-71.60000111.5R192 W198 I199 W200 C207R192-C194 PolarHBondContact O-N 3.04Å; C194-W198 HydrophobicContact CB-CB 3.91Å; C194-W198 WeakPolarHBondContact CB-O 3.1Å; C194-I199 VanDerWaalsContact SG-C 3.52Å; C194-W200 PolarHBondContact SG-N 2.91Å; C194-C207 WeakPolarHBondContact CA-SG 3.49Å; C194-C207 HydrophobicContact CB-CB 3.98Å; C194-C207 WeakPolarHBondContact CB-SG 3.19Å; C194-C207 WeakPolarHBondContact SG-CB 2.98Å; C194-C207 CovalentContact SG-SG 2.04Å; C194-C207 PolarHBondContact SG-SG 2.81Å
195A64.4Low59.8Low65 Ų6597.3 Ų97.354%0.53755%0.549SS..  trans-62.6157.3170.100000111.6G197 W198A195-G197 PolarHBondContact O-N 2.55Å; A195-W198 WeakPolarHBondContact O-CB 3.4Å; A195-W198 PolarHBondContact O-N 3.14Å
196S60.8Low60.8Low85 Ų8595.5 Ų95.559%0.59453%0.534SS*.THydrogen-bonded Turntrans-54.6124.7178.452.80000111.6
197G61.2Low62.2Low48 Ų4889.1 Ų89.150%0.49551%0.509SS..THydrogen-bonded Turntrans90.93.8-177.900000115.2A195A195-G197 PolarHBondContact O-N 2.55Å
198W68.5Low63.6Low129 Ų12989.1 Ų89.149%0.48950%0.501SS..EExtended strand (participates in β ladder)trans-117.8146.8177.4-61.871.2000110.7C194 A195 C207 I208C194-W198 HydrophobicContact CB-CB 3.91Å; C194-W198 WeakPolarHBondContact CB-O 3.1Å; A195-W198 WeakPolarHBondContact O-CB 3.4Å; A195-W198 PolarHBondContact O-N 3.14Å; W198-C207 HydrophobicContact CB-CB 4.14Å; W198-C207 HydrophobicContact CE3-CB 4.18Å; W198-I208 CarbonylContact C-O 3.57Å; W198-I208 WeakPolarHBondContact CA-O 3.03Å
199I70.4Confident64.8Low51 Ų5182.9 Ų82.926%0.26248%0.482SS..EExtended strand (participates in β ladder)trans-118.6141.8178.6-59.2-178.5000109.4I68 C194 D201 C207 I208 Y210I68-I199 HydrophobicContact CD1-CD1 3.48Å; I68-I199 VanDerWaalsContact CD1-CD1 3.48Å; I68-I199 HydrophobicContact CD1-CG1 3.68Å; I68-I199 HydrophobicContact CG1-CD1 3.5Å; I68-I199 HydrophobicContact CG1-CG1 4.28Å; C194-I199 VanDerWaalsContact SG-C 3.52Å; I199-D201 PolarHBondContact O-N 2.66Å; I199-C207 CarbonylContact O-C 3.56Å; I199-C207 WeakPolarHBondContact O-CA 3.07Å; I199-I208 PolarHBondContact N-O 2.56Å; I199-I208 WeakPolarHBondContact O-CG1 3.08Å; I199-I208 PolarHBondContact O-N 2.86Å; I199-Y210 HydrophobicContact CD1-CD1 3.86Å; I199-Y210 HydrophobicContact CD1-CD2 3.4Å; I199-Y210 VanDerWaalsContact CD1-CD2 3.4Å; I199-Y210 HydrophobicContact CD1-CE1 4.5Å; I199-Y210 HydrophobicContact CD1-CE2 4.12Å; I199-Y210 HydrophobicContact CD1-CG 3.24Å; I199-Y210 HydrophobicContact CG1-CG 4.25Å
200W78.8Confident65.5Low72 Ų7279.4 Ų79.427%0.27346%0.457SS..EExtended strand (participates in β ladder)trans-75.1121.6173.9-174.8-95.1000110.9L180 C194 E205L180-W200 HydrophobicContact CD1-CD2 3.69Å; L180-W200 HydrophobicContact CD1-CE3 4.27Å; L180-W200 HydrophobicContact CD1-CG 4.15Å; L180-W200 HydrophobicContact CD1-CH2 4.02Å; L180-W200 HydrophobicContact CD1-CZ2 3.4Å; L180-W200 VanDerWaalsContact CD1-CZ2 3.4Å; L180-W200 HydrophobicContact CD1-CZ3 4.43Å; L180-W200 HydrophobicContact CG-CZ2 3.92Å; C194-W200 PolarHBondContact SG-N 2.91Å; W200-E205 WeakPolarHBondContact CH2-O 3.39Å; W200-E205 VanDerWaalsContact CZ2-CA 3.43Å; W200-E205 HydrophobicContact CZ2-CB 3.98Å; W200-E205 WeakPolarHBondContact CZ2-O 3.45Å
201D71.5Confident66.1Low45 Ų4575.8 Ų75.824%0.24143%0.431CS..EExtended strand (participates in β ladder)trans-91.8112.8170.1176.36.9000109.8I199 S203 S204 E205 K206 I208I199-D201 PolarHBondContact O-N 2.66Å; D201-S203 VanDerWaalsContact CG-OG 3.27Å; D201-S203 PolarHBondContact O-N 3.16Å; D201-S203 WeakPolarHBondContact OD1-CB 3.43Å; D201-S203 PolarHBondContact OD1-N 3.3Å; D201-S203 PolarHBondContact OD1-OG 2.83Å; D201-S203 PolarHBondContact OD2-OG 2.81Å; D201-S204 WeakPolarHBondContact CB-OG 3.4Å; D201-S204 PolarHBondContact O-N 2.97Å; D201-S204 WeakPolarHBondContact OD2-CB 3.43Å; D201-S204 PolarHBondContact OD2-OG 2.77Å; D201-E205 WeakPolarHBondContact O-CA 3.43Å; D201-E205 PolarHBondContact O-N 3.45Å; D201-K206 PolarHBondContact N-O 3.06Å; D201-I208 HydrophobicContact CB-CD1 4.05Å; D201-I208 HydrophobicContact CB-CG1 4.18Å; D201-I208 HydrophobicContact CB-CG2 4.25Å
202C68.1Low65.8Low65 Ų6578 Ų7844%0.43944%0.435SS..THydrogen-bonded Turntrans-64.8-23.2178.7-84.90000114.2C178C178-C202 HydrophobicContact CB-CB 3.99Å; C178-C202 WeakPolarHBondContact CB-SG 3.04Å; C178-C202 VanDerWaalsContact SG-CA 3.56Å; C178-C202 WeakPolarHBondContact SG-CB 3.34Å; C178-C202 CovalentContact SG-SG 2.05Å; C178-C202 PolarHBondContact SG-SG 2.77Å
203S66.5Low65.3Low107 Ų10774.2 Ų74.275%0.74844%0.435SS*.THydrogen-bonded Turntrans-83.4-30.7-178.368.90000112.9D201D201-S203 VanDerWaalsContact CG-OG 3.27Å; D201-S203 PolarHBondContact O-N 3.16Å; D201-S203 WeakPolarHBondContact OD1-CB 3.43Å; D201-S203 PolarHBondContact OD1-N 3.3Å; D201-S203 PolarHBondContact OD1-OG 2.83Å; D201-S203 PolarHBondContact OD2-OG 2.81Å
204S64.2Low64.5Low44 Ų4476.4 Ų76.431%0.30845%0.452SS..THydrogen-bonded Turntrans-109.83.9-178.864.40000114D201 K206D201-S204 WeakPolarHBondContact CB-OG 3.4Å; D201-S204 PolarHBondContact O-N 2.97Å; D201-S204 WeakPolarHBondContact OD2-CB 3.43Å; D201-S204 PolarHBondContact OD2-OG 2.77Å; S204-K206 PolarHBondContact O-N 2.88Å; S204-K206 VanDerWaalsContact O-N 3.16Å; S204-K206 VanDerWaalsContact OG-CE 3.31Å; S204-K206 WeakPolarHBondContact OG-CE 3.39Å; S204-K206 WeakPolarHBondContact OG-CG 3.5Å
205E69.8Low63.2Low121 Ų12177.9 Ų77.957%0.56546%0.463SS*.THydrogen-bonded Turntrans47.441.4179-60.9-174.2165.600113W200 D201W200-E205 WeakPolarHBondContact CH2-O 3.39Å; W200-E205 VanDerWaalsContact CZ2-CA 3.43Å; W200-E205 HydrophobicContact CZ2-CB 3.98Å; W200-E205 WeakPolarHBondContact CZ2-O 3.45Å; D201-E205 WeakPolarHBondContact O-CA 3.43Å; D201-E205 PolarHBondContact O-N 3.45Å
206K72.8Confident61.8Low117 Ų11781 Ų8151%0.50948%0.475SS..EExtended strand (participates in β ladder)trans-147.7158.1-179.568.8-170.7-179.8-174.40112.3D201 S204 I208D201-K206 PolarHBondContact N-O 3.06Å; S204-K206 PolarHBondContact O-N 2.88Å; S204-K206 VanDerWaalsContact O-N 3.16Å; S204-K206 VanDerWaalsContact OG-CE 3.31Å; S204-K206 WeakPolarHBondContact OG-CE 3.39Å; S204-K206 WeakPolarHBondContact OG-CG 3.5Å; K206-I208 HydrophobicContact CG-CG2 4.15Å
207C74.3Confident60.7Low41 Ų4186.3 Ų86.328%0.27749%0.487SS..EExtended strand (participates in β ladder)trans-75.1130.7169.1-64.90000110.7L193 C194 W198 I199L193-C207 PolarHBondContact O-SG 2.79Å; C194-C207 WeakPolarHBondContact CA-SG 3.49Å; C194-C207 HydrophobicContact CB-CB 3.98Å; C194-C207 WeakPolarHBondContact CB-SG 3.19Å; C194-C207 WeakPolarHBondContact SG-CB 2.98Å; C194-C207 CovalentContact SG-SG 2.04Å; C194-C207 PolarHBondContact SG-SG 2.81Å; W198-C207 HydrophobicContact CB-CB 4.14Å; W198-C207 HydrophobicContact CE3-CB 4.18Å; I199-C207 CarbonylContact O-C 3.56Å; I199-C207 WeakPolarHBondContact O-CA 3.07Å
208I73.9Confident59.4Low51 Ų5187.8 Ų87.826%0.26248%0.484SS..EExtended strand (participates in β ladder)trans-119.5151.2175.162.2167.7000110.8W198 I199 D201 K206W198-I208 CarbonylContact C-O 3.57Å; W198-I208 WeakPolarHBondContact CA-O 3.03Å; I199-I208 PolarHBondContact N-O 2.56Å; I199-I208 WeakPolarHBondContact O-CG1 3.08Å; I199-I208 PolarHBondContact O-N 2.86Å; D201-I208 HydrophobicContact CB-CD1 4.05Å; D201-I208 HydrophobicContact CB-CG1 4.18Å; D201-I208 HydrophobicContact CB-CG2 4.25Å; K206-I208 HydrophobicContact CG-CG2 4.15Å
209P69.5Low57.7Low75 Ų7587.1 Ų87.149%0.48750%0.496SS..EExtended strand (participates in β ladder)trans-70.5143.4171.230.3-33.6000110.2
210Y62.2Low56.2Low83 Ų8392 Ų9233%0.32552%0.522SS..SBendtrans-128.7133.8176-173.5-86.6000109.9E67 I68 A71 I199E67-Y210 HydrophobicContact CB-CD1 4.39Å; E67-Y210 HydrophobicContact CB-CE1 3.72Å; I68-Y210 HydrophobicContact CD1-CD1 4.22Å; I68-Y210 HydrophobicContact CG1-CD1 3.44Å; I68-Y210 VanDerWaalsContact CG1-CD1 3.44Å; I68-Y210 HydrophobicContact CG1-CE1 3.7Å; I68-Y210 HydrophobicContact CG1-CG 4.14Å; A71-Y210 WeakPolarHBondContact CB-OH 3.46Å; I199-Y210 HydrophobicContact CD1-CD1 3.86Å; I199-Y210 HydrophobicContact CD1-CD2 3.4Å; I199-Y210 VanDerWaalsContact CD1-CD2 3.4Å; I199-Y210 HydrophobicContact CD1-CE1 4.5Å; I199-Y210 HydrophobicContact CD1-CE2 4.12Å; I199-Y210 HydrophobicContact CD1-CG 3.24Å; I199-Y210 HydrophobicContact CG1-CG 4.25Å
211P57.9Low54.2Low31 Ų3196.8 Ų96.820%0.20154%0.539CS..  cis-86.7158.51.334.6-34000111.9E67 S213E67-P211 WeakPolarHBondContact OE2-CD 3.27Å; E67-P211 WeakPolarHBondContact OE2-CG 3.47Å; P211-S213 WeakPolarHBondContact CG-O 3.49Å; P211-S213 PolarHBondContact O-N 3.03Å; P211-S213 VanDerWaalsContact O-N 3.08Å
212S46.5Very low52.9Low119 Ų11999.5 Ų99.583%0.83256%0.562SS**SBendtrans-70.40.1179.8-49.10000114.6
213S42.7Very low51.8Low88 Ų88103.5 Ų103.562%0.61557%0.568SS**SBendtrans-127.6122.9173.256.90000109.5P211 S215P211-S213 WeakPolarHBondContact CG-O 3.49Å; P211-S213 PolarHBondContact O-N 3.03Å; P211-S213 VanDerWaalsContact O-N 3.08Å; S213-S215 PolarHBondContact O-N 3.33Å
214T45.3Very low50.8Low148 Ų148103.3 Ų103.391%0.90856%0.558SS**  trans-19.691.6173.7-40.10000113.7V216T214-V216 PolarHBondContact O-N 2.83Å
215S38.3Very low50Low50 Ų50106.7 Ų106.735%0.3558%0.582SS.*  trans-73126.1172.354.20000108.8E67 S213 K217E67-S215 WeakPolarHBondContact OE1-CB 3.46Å; S213-S215 PolarHBondContact O-N 3.33Å; S215-K217 PolarHBondContact O-N 3.06Å; S215-K217 VanDerWaalsContact O-N 3.08Å
216V34.6Very low49.1Very low131 Ų131107.4 Ų107.479%0.79459%0.59SS**  trans-55.8116.8169.5175.90000106.6T214 L218T214-V216 PolarHBondContact O-N 2.83Å; V216-L218 VanDerWaalsContact C-N 3.31Å; V216-L218 PolarHBondContact O-N 3.03Å
217K37.3Very low48.3Very low196 Ų196103.5 Ų103.585%0.85258%0.576SS**  trans-57.999169.2-70-179.2-179.6176.50107.2S215S215-K217 PolarHBondContact O-N 3.06Å; S215-K217 VanDerWaalsContact O-N 3.08Å
218L34.9Very low47.7Very low80 Ų80106.3 Ų106.342%0.41959%0.586SS.*  trans-52.2128.5163.2-83.2154000106.8L66 V216 L220L66-L218 HydrophobicContact CD1-CD1 3.67Å; V216-L218 VanDerWaalsContact C-N 3.31Å; V216-L218 PolarHBondContact O-N 3.03Å; L218-L220 PolarHBondContact O-N 3.04Å
219P32.2Very low47.4Very low115 Ų115105.5 Ų105.575%0.74758%0.582SS**  trans-57.6118.6176.1-17.928.8000107.3R221P219-R221 PolarHBondContact O-N 3.12Å
220L39.4Very low47.3Very low153 Ų153103.8 Ų103.880%0.80157%0.568SS**  trans-63.886.8168.6-176.768000106.5L218 S222L218-L220 PolarHBondContact O-N 3.04Å; L220-S222 PolarHBondContact O-N 3.31Å; L220-S222 VanDerWaalsContact O-N 3.13Å
221R36.7Very low47.7Very low172 Ų172100.7 Ų100.765%0.64956%0.558SS**  trans-66.4115.1175.6-138.7-171.2174-155.6-2.1106.2P219 W223P219-R221 PolarHBondContact O-N 3.12Å; R221-W223 VanDerWaalsContact CD-CD1 3.44Å; R221-W223 VanDerWaalsContact CZ-NE1 3.34Å; R221-W223 PolarHBondContact O-N 3.46Å
222S43.6Very low48.4Very low103 Ų103105.7 Ų105.772%0.7258%0.579SS**  trans-65.290.4169.846.60000109.7L220L220-S222 PolarHBondContact O-N 3.31Å; L220-S222 VanDerWaalsContact O-N 3.13Å
223W45.9Very low49.3Very low149 Ų149108.5 Ų108.556%0.56457%0.571SS**  trans-139.5133.3173.1-7262.4000106.7R221R221-W223 VanDerWaalsContact CD-CD1 3.44Å; R221-W223 VanDerWaalsContact CZ-NE1 3.34Å; R221-W223 PolarHBondContact O-N 3.46Å
224L45.8Very low50.5Low102 Ų102105.9 Ų105.953%0.53455%0.552SS.*  cis-163.7130.9-6-106.4167.6000101.7D226L224-D226 PolarHBondContact O-N 3.46Å
225S46.2Very low51.6Low116 Ų116103.8 Ų103.881%0.81153%0.532SS*.THydrogen-bonded Turntrans-68.7-1.7-165.9-48.40000115.9
226D51.4Low52.9Low136 Ų136104.4 Ų104.473%0.72754%0.536SS*.THydrogen-bonded Turntrans-150.843.6-169.1-66.9-60.3000115.5L224L224-D226 PolarHBondContact O-N 3.46Å
227C56Low54.4Low34 Ų34101.9 Ų101.923%0.2352%0.518CS..EExtended strand (participates in β ladder)trans-134.5152.8169.471.50000114C236 L237C227-C236 HydrophobicContact CB-CB 4.09Å; C227-C236 WeakPolarHBondContact CB-SG 2.92Å; C227-C236 WeakPolarHBondContact SG-CB 3.37Å; C227-C236 CovalentContact SG-SG 2.01Å; C227-C236 PolarHBondContact SG-SG 2.96Å; C227-L237 WeakPolarHBondContact CB-O 3.42Å
228E62Low55.2Low100 Ų10097.8 Ų97.847%0.46751%0.511SS..EExtended strand (participates in β ladder)trans-92.9127.8171.9-177.9162.7-165.200109.7K27 L237K27-E228 IonicContact NZ-OE1 2.77Å; K27-E228 PolarHBondContact NZ-OE1 3.42Å; E228-L237 PolarHBondContact N-O 3.46Å; E228-L237 WeakPolarHBondContact O-CA 3.31Å; E228-L237 WeakPolarHBondContact O-CB 3.48Å; E228-L237 PolarHBondContact O-N 3.5Å
229I66.3Low56.1Low35 Ų35102.4 Ų102.418%0.17952%0.523CS..EExtended strand (participates in β ladder)trans-81.6123.5-178.6-62152.7000109.6K27 L28 V231K27-I229 HydrophobicContact CB-CB 4.1Å; K27-I229 HydrophobicContact CB-CD1 4.25Å; K27-I229 HydrophobicContact CB-CG2 4.14Å; K27-I229 HydrophobicContact CD-CB 4.28Å; L28-I229 HydrophobicContact CB-CD1 4.41Å; L28-I229 HydrophobicContact CD1-CD1 4.28Å; L28-I229 HydrophobicContact CD2-CD1 3.3Å; L28-I229 HydrophobicContact CD2-CG1 4.24Å; L28-I229 HydrophobicContact CG-CD1 3.34Å; I229-V231 PolarHBondContact O-N 2.82Å
230D67.7Low56.8Low38 Ų38102.4 Ų102.420%0.20352%0.523CS..EExtended strand (participates in β ladder)trans-75.4113.2163.7-174.4-34.4000108.4E232 R233 C234 E235 L237D230-E232 VanDerWaalsContact C-N 3.3Å; D230-E232 WeakPolarHBondContact OD1-CA 3.38Å; D230-E232 WeakPolarHBondContact OD1-CB 3.4Å; D230-E232 PolarHBondContact OD1-N 2.96Å; D230-R233 HydrophobicContact CB-CB 4.43Å; D230-R233 PolarHBondContact OD1-N 2.78Å; D230-C234 WeakPolarHBondContact O-CA 3.45Å; D230-C234 PolarHBondContact O-N 2.91Å; D230-E235 PolarHBondContact N-O 2.9Å; D230-E235 PolarHBondContact O-N 2.83Å; D230-L237 HydrophobicContact CB-CD1 3.86Å; D230-L237 HydrophobicContact CB-CG 4.07Å
231V71.6Confident56.9Low19 Ų19103.5 Ų103.512%0.11552%0.524CS..THydrogen-bonded Turntrans-76.1-20.1-176.7178.50000112.4W26 K27 K30 K34 I229W26-V231 HydrophobicContact CH2-CG2 4.13Å; W26-V231 HydrophobicContact CZ3-CG1 4.41Å; W26-V231 HydrophobicContact CZ3-CG2 4.3Å; K27-V231 HydrophobicContact CB-CG2 3.77Å; K27-V231 HydrophobicContact CD-CG2 3.81Å; K27-V231 HydrophobicContact CG-CG2 3.55Å; K30-V231 HydrophobicContact CB-CG1 4.32Å; K30-V231 HydrophobicContact CD-CG1 3.31Å; K30-V231 VanDerWaalsContact CE-CG1 3.44Å; K30-V231 HydrophobicContact CG-CG1 3.78Å; K34-V231 PolarHBondContact NZ-O 3.39Å; I229-V231 PolarHBondContact O-N 2.82Å
232E72Confident57Low135 Ų135100.5 Ų100.563%0.63153%0.527SS*.THydrogen-bonded Turntrans-82.7-44.5178.6-64.8-50.2145.800111.8K34 D230K34-E232 PolarHBondContact NZ-O 2.8Å; K34-E232 IonicContact NZ-OE2 3.13Å; K34-E232 PolarHBondContact NZ-OE2 3.39Å; D230-E232 VanDerWaalsContact C-N 3.3Å; D230-E232 WeakPolarHBondContact OD1-CA 3.38Å; D230-E232 WeakPolarHBondContact OD1-CB 3.4Å; D230-E232 PolarHBondContact OD1-N 2.96Å
233R64.4Low56.9Low178 Ų178102.4 Ų102.467%0.67253%0.527SS*.THydrogen-bonded Turntrans-92.8-16.4-179.9-61179.7-180-146.2-1.1114D230 E235D230-R233 HydrophobicContact CB-CB 4.43Å; D230-R233 PolarHBondContact OD1-N 2.78Å; R233-E235 HydrophobicContact CB-CB 4.21Å; R233-E235 HydrophobicContact CB-CG 3.95Å; R233-E235 PolarHBondContact O-N 3.38Å
234C69.4Low56.5Low33 Ų33101.2 Ų101.222%0.22354%0.536CS..THydrogen-bonded Turntrans57.337.8-171.1-63.70000113.6C31 L35 D230C31-C234 WeakPolarHBondContact CA-SG 3.17Å; C31-C234 HydrophobicContact CB-CB 3.58Å; C31-C234 WeakPolarHBondContact CB-SG 3.3Å; C31-C234 WeakPolarHBondContact SG-CA 3.43Å; C31-C234 WeakPolarHBondContact SG-CB 3.42Å; C31-C234 CovalentContact SG-SG 2.05Å; C31-C234 PolarHBondContact SG-SG 3.4Å; L35-C234 HydrophobicContact CD1-CB 4.25Å; D230-C234 WeakPolarHBondContact O-CA 3.45Å; D230-C234 PolarHBondContact O-N 2.91Å
235E68.7Low56Low104 Ų104107.5 Ų107.549%0.48655%0.553SS.*EExtended strand (participates in β ladder)trans-110152.6178.5-69.3175.1177.400110.5D230 R233D230-E235 PolarHBondContact N-O 2.9Å; D230-E235 PolarHBondContact O-N 2.83Å; R233-E235 HydrophobicContact CB-CB 4.21Å; R233-E235 HydrophobicContact CB-CG 3.95Å; R233-E235 PolarHBondContact O-N 3.38Å
236C65.5Low55.4Low63 Ų63105.6 Ų105.643%0.42654%0.544SS..EExtended strand (participates in β ladder)trans-94.4102.7179.4165.80000107.4C227C227-C236 HydrophobicContact CB-CB 4.09Å; C227-C236 WeakPolarHBondContact CB-SG 2.92Å; C227-C236 WeakPolarHBondContact SG-CB 3.37Å; C227-C236 CovalentContact SG-SG 2.01Å; C227-C236 PolarHBondContact SG-SG 2.96Å
237L65Low54.6Low79 Ų79105.1 Ų105.141%0.41455%0.549SS..EExtended strand (participates in β ladder)trans-86133.7178.1-63.6177.5000110C227 E228 D230 R239C227-L237 WeakPolarHBondContact CB-O 3.42Å; E228-L237 PolarHBondContact N-O 3.46Å; E228-L237 WeakPolarHBondContact O-CA 3.31Å; E228-L237 WeakPolarHBondContact O-CB 3.48Å; E228-L237 PolarHBondContact O-N 3.5Å; D230-L237 HydrophobicContact CB-CD1 3.86Å; D230-L237 HydrophobicContact CB-CG 4.07Å; L237-R239 PolarHBondContact O-N 2.83Å
238P54.7Low53.7Low109 Ų109110.2 Ų110.271%0.70858%0.579SS**EExtended strand (participates in β ladder)trans-63.6136.1173.324.2-30000110.2
239R52.4Low52.5Low178 Ų178109.3 Ų109.367%0.67260%0.597SS**PPolyproline II helixtrans-60.7133.7174.6-80.4-174.6-177.3-1733.1109.6L237 Q241L237-R239 PolarHBondContact O-N 2.83Å; R239-Q241 PolarHBondContact O-N 2.86Å; R239-Q241 VanDerWaalsContact O-N 3.16Å
240P48.7Very low50.9Low115 Ų115112.6 Ų112.675%0.74763%0.629SS**PPolyproline II helixtrans-61.5121.3171.420.4-25.7000108.9
241Q41Very low49.3Very low175 Ų175118.6 Ų118.682%0.81866%0.661SS**PPolyproline II helixtrans-63.3137.9174-67.5-166.6-4.500109R239 I243R239-Q241 PolarHBondContact O-N 2.86Å; R239-Q241 VanDerWaalsContact O-N 3.16Å; Q241-I243 PolarHBondContact O-N 2.96Å
242P38.7Very low47.1Very low110 Ų110123.9 Ų123.971%0.71470%0.697SS**PPolyproline II helixtrans-58.8129.3168.423.4-29.5000108.3V244P242-V244 VanDerWaalsContact C-N 3.34Å; P242-V244 PolarHBondContact O-N 3.04Å
243I41.3Very low45.3Very low143 Ų143123.3 Ų123.373%0.73371%0.705SS**  trans-62.998.4174.6-60.5168.5000106.9Q241 W245Q241-I243 PolarHBondContact O-N 2.96Å; I243-W245 PolarHBondContact O-N 2.87Å
244V38Very low44.1Very low123 Ų123120.3 Ų120.375%0.74571%0.711SS**  trans-77.4102.2165.6179.30000106P242 A246P242-V244 VanDerWaalsContact C-N 3.34Å; P242-V244 PolarHBondContact O-N 3.04Å; V244-A246 VanDerWaalsContact C-N 3.29Å; V244-A246 PolarHBondContact O-N 3.37Å
245W34.5Very low42.1Very low234 Ų234130.4 Ų130.489%0.88675%0.745SS**  trans-66.696.5160.8-77.9-49.3000107.9I243I243-W245 PolarHBondContact O-N 2.87Å
246A33.3Very low40.3Very low77 Ų77129.9 Ų129.964%0.63676%0.758SS**PPolyproline II helixtrans-70.4126.3162.900000108.1V244 T248V244-A246 VanDerWaalsContact C-N 3.29Å; V244-A246 PolarHBondContact O-N 3.37Å; A246-T248 PolarHBondContact O-N 3.22Å
247P35.5Very low38.8Very low126 Ų126132.3 Ų132.382%0.81878%0.776SS**PPolyproline II helixtrans-61.5126168.8-1629.3000108.7
248T37.3Very low37.2Very low141 Ų141136.6 Ų136.687%0.86580%0.798SS**PPolyproline II helixtrans-54.3141.8174.638.40000111.6A246A246-T248 PolarHBondContact O-N 3.22Å
249G36.1Very low36.1Very low81 Ų81138.3 Ų138.384%0.83580%0.801SS**PPolyproline II helixtrans-65.1160.9-162.700000116.7
250A32.6Very low35Very low104 Ų104136.8 Ų136.886%0.8681%0.805SS**  trans-122.2117.8156.600000107.9
251N34.8Very low34.5Very low164 Ų164138.2 Ų138.288%0.87781%0.812SS**  trans-53.3145.9172-82.7-27.5000112.3
252C25.3Very low34.1Very low129 Ų129136.9 Ų136.987%0.87281%0.809SS**  trans-155.7148.8133.5-99.20000111.6
253P35Very low33.6Very low123 Ų123137 Ų13780%0.79981%0.808SS**  trans-92.9166.7-154.837.1-34.9000114.5
254S37.9Very low33Very low115 Ų115136.6 Ų136.680%0.80481%0.812SS**  trans-73.6129.517640.50000113.5
255R28.5Very low32.7Very low246 Ų246136 Ų13693%0.92881%0.814SS**  trans-172.1138.7139.2-127174.6164.4-170.1-5.5115.2
256A29.4Very low32.4Very low93 Ų93130.5 Ų130.577%0.76981%0.81SS**  trans74.2128.6143.300000121.3
257S34.7Very low32.3Very low113 Ų113132.9 Ų132.979%0.7982%0.821SS**  trans-49.8149.7165.9-52.20000114.4
258L31.1Very low32.2Very low169 Ų169136.1 Ų136.189%0.88583%0.828SS**  -172140.8128.1-98.1149.7000109.3
259D31.7Very low31.8Very low145 Ų145133.4 Ų133.478%0.77583%0.828SS**  trans-50.6156170.9-67.3-61.7000112.7
260I30.5Very low31.6Very low147 Ų147134.6 Ų134.675%0.75482%0.823SS**  171.1120.9126.3-84.3152000109.7I262I260-I262 HydrophobicContact CG2-CD1 4.16Å; I260-I262 HydrophobicContact CG2-CG1 3.79Å
261T37.7Very low31.6Very low144 Ų144136.6 Ų136.688%0.88382%0.819SS**  trans-64.3119.3161.2-13.80000109.9
262I31.3Very low31.5Very low147 Ų147139.9 Ų139.975%0.75484%0.837SS**  trans-142.9133.4153.7-62.6-174.8000110.5I260I260-I262 HydrophobicContact CG2-CD1 4.16Å; I260-I262 HydrophobicContact CG2-CG1 3.79Å
263T28.7Very low31.8Very low114 Ų114140.5 Ų140.570%0.69984%0.835SS**  trans-64.5173.2175.635.40000115.2
264T28.6Very low31.6Very low133 Ų133141.4 Ų141.482%0.81684%0.837SS**  trans80.1141.6162.171.10000115.7
265S32Very low31.3Very low112 Ų112142.8 Ų142.878%0.78384%0.839SS**  cis-161.8159.716.433.20000110.9
266C28.5Very low31.4Very low118 Ų118136.8 Ų136.880%0.79783%0.834SS**  trans-58155.4167.4-67.80000113
267S30.9Very low31.6Very low126 Ų126139.5 Ų139.588%0.88184%0.838SS**  trans-149.2111.1143.9-71.40000109.5
268M33.6Very low31.4Very low195 Ų195141.3 Ų141.396%0.96184%0.841SS**  trans-73.1151.3159.1-67.5176.589.100108.9
269G29.3Very low31.4Very low83 Ų83139.3 Ų139.386%0.85684%0.838SS**  trans-177.692168.900000111.7
270S31.8Very low31.4Very low106 Ų106138.8 Ų138.874%0.74184%0.843SS**  trans-84.5166.8172.938.60000112.8
271N32.1Very low31.4Very low146 Ų146138.2 Ų138.278%0.78185%0.85SS**  trans91.7129.1171.1-59.79.7000114.1
272D32.7Very low30.9Very low234 Ų234137.6 Ų137.6100%1.25185%0.847SS**  cis-125.6027.4-70.1-51.5000114.9

Retrieved 272 of 272 residues in 563.9 ms (Link to these results)

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