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Transcription initiation factor IIA subunit 1

TFIIA is a component of the transcription machinery of RNA polymerase II and plays an important role in transcriptional activation. TFIIA in a complex with TBP mediates transcriptional activity.

AlphaFold DB , UniProt , Accession P52655, Species HUMAN (Homo sapiens, Human), Gene GTF2A1, Length 376 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
1M33.8Very low57.5Low252 Ų25293 Ų93100%1.24156%0.558SS**  097.60-64.3174.1-17400107.4
2A39.5Very low60Low81 Ų8196.1 Ų96.167%0.66956%0.559SS**  trans-150.6-8.1-175.700000115.7S4A2-S4 VanDerWaalsContact C-N 3.34Å; A2-S4 PolarHBondContact O-N 3.47Å
3N46.9Very low62.3Low137 Ų13794.2 Ų94.273%0.73355%0.545SS*.THydrogen-bonded Turntrans-77-6.4-163.8-72.248.6000116.5
4S45Very low64.4Low113 Ų11390.3 Ų90.379%0.7952%0.517SS*.THydrogen-bonded Turntrans-86-12.1-167.8-49.80000115.6A2A2-S4 VanDerWaalsContact C-N 3.34Å; A2-S4 PolarHBondContact O-N 3.47Å
5A44.1Very low66.1Low74 Ų7487.3 Ų87.361%0.61249%0.494SS*.SBendtrans-89.5-30.4-175.300000113.8
6N50.7Low67.7Low107 Ų10785.4 Ų85.457%0.57249%0.488SS*.G310 helixtrans-91.5-12.4-170.4-64.84.7000113.8N8 T9N6-N8 PolarHBondContact O-N 2.89Å; N6-N8 VanDerWaalsContact O-N 3.09Å; N6-T9 PolarHBondContact O-N 3.03Å; N6-T9 PolarHBondContact O-OG1 3.39Å
7T55.4Low69.3Low82 Ų8284.1 Ų84.150%0.50348%0.481SS..G310 helixtrans-64.1-17.9-17954.70000113.3P11T7-P11 WeakPolarHBondContact O-CD 3.44Å
8N62Low70.7Confident88 Ų8879.5 Ų79.547%0.47146%0.455SS..G310 helixtrans-96.7-1.4-179.3-129.3-103.6000114.1N6 K12N6-N8 PolarHBondContact O-N 2.89Å; N6-N8 VanDerWaalsContact O-N 3.09Å; N8-K12 VanDerWaalsContact O-CD 3.25Å; N8-K12 WeakPolarHBondContact O-CD 3.5Å; N8-K12 WeakPolarHBondContact O-CE 3.32Å; N8-K12 VanDerWaalsContact O-CG 3.28Å; N8-K12 WeakPolarHBondContact O-CG 3.42Å; N8-K12 WeakPolarHBondContact OD1-CE 3.49Å; N8-K12 PolarHBondContact OD1-NZ 3.26Å
9T82.1Confident72Confident68 Ų6878.7 Ų78.742%0.41745%0.447SS..THydrogen-bonded Turntrans-86.4-41.5178.3600000112.1N6 K12 L13N6-T9 PolarHBondContact O-N 3.03Å; N6-T9 PolarHBondContact O-OG1 3.39Å; T9-K12 PolarHBondContact O-N 3.18Å; T9-K12 VanDerWaalsContact O-N 3.13Å; T9-L13 PolarHBondContact O-N 2.97Å
10V86.2Confident73.2Confident10 Ų1078.7 Ų78.76%0.06145%0.445CS..Hα-helixtrans-58.1-49.1179.3-166.50000113K12 L13 Y14 V56 D364 I366V10-K12 PolarHBondContact O-N 3.2Å; V10-L13 PolarHBondContact O-N 3.46Å; V10-Y14 HydrophobicContact CG1-CD2 4.36Å; V10-Y14 HydrophobicContact CG1-CE1 4.36Å; V10-Y14 HydrophobicContact CG1-CE2 3.96Å; V10-Y14 PolarHBondContact O-N 3.44Å; V10-Y14 VanDerWaalsContact O-N 3.16Å; V10-V56 HydrophobicContact CG1-CG1 4.43Å; V10-V56 HydrophobicContact CG1-CG2 3.88Å; V10-D364 HydrophobicContact CG1-CB 3.87Å; V10-I366 HydrophobicContact CB-CD1 4Å; V10-I366 HydrophobicContact CG1-CD1 3.91Å; V10-I366 HydrophobicContact CG1-CG1 4.32Å; V10-I366 HydrophobicContact CG2-CD1 3.89Å; V10-I366 HydrophobicContact CG2-CG1 4.06Å
11P87Confident74.3Confident11 Ų1177.8 Ų77.87%0.07144%0.442CS..Hα-helixtrans-61.9-32.6177-14.325.1000112.8T7 R15 V56 F59T7-P11 WeakPolarHBondContact O-CD 3.44Å; P11-R15 WeakPolarHBondContact O-CB 3.43Å; P11-R15 VanDerWaalsContact O-CG 3.29Å; P11-R15 WeakPolarHBondContact O-CG 3.24Å; P11-R15 PolarHBondContact O-N 2.84Å; P11-R15 VanDerWaalsContact O-N 3.07Å; P11-V56 HydrophobicContact CB-CG1 3.86Å; P11-V56 HydrophobicContact CG-CG1 3.55Å; P11-F59 HydrophobicContact CB-CD2 4.12Å
12K87.6Confident77.3Confident130 Ų13065.9 Ų65.957%0.56538%0.383SS*.Hα-helixtrans-75.5-40.3-179.2-68.8178.8-171.6178.50112.5N8 T9 V10 R15 S16N8-K12 VanDerWaalsContact O-CD 3.25Å; N8-K12 WeakPolarHBondContact O-CD 3.5Å; N8-K12 WeakPolarHBondContact O-CE 3.32Å; N8-K12 VanDerWaalsContact O-CG 3.28Å; N8-K12 WeakPolarHBondContact O-CG 3.42Å; N8-K12 WeakPolarHBondContact OD1-CE 3.49Å; N8-K12 PolarHBondContact OD1-NZ 3.26Å; T9-K12 PolarHBondContact O-N 3.18Å; T9-K12 VanDerWaalsContact O-N 3.13Å; V10-K12 PolarHBondContact O-N 3.2Å; K12-R15 PolarHBondContact O-N 3.36Å; K12-S16 PolarHBondContact O-N 3.49Å
13L89.5Confident80Confident72 Ų7265.8 Ų65.838%0.37737%0.371SS..Hα-helixtrans-61.9-48.8175.5-176.567.7000110.1T9 V10 R15 S16 V17 I366T9-L13 PolarHBondContact O-N 2.97Å; V10-L13 PolarHBondContact O-N 3.46Å; L13-R15 VanDerWaalsContact C-N 3.26Å; L13-R15 PolarHBondContact O-N 2.98Å; L13-S16 WeakPolarHBondContact O-CB 3.46Å; L13-S16 PolarHBondContact O-N 3.14Å; L13-S16 VanDerWaalsContact O-N 3.12Å; L13-V17 HydrophobicContact CD1-CG2 4.38Å; L13-V17 HydrophobicContact CG-CG2 4.35Å; L13-V17 WeakPolarHBondContact O-CG2 3.18Å; L13-V17 PolarHBondContact O-N 2.86Å; L13-I366 HydrophobicContact CB-CD1 3.92Å; L13-I366 HydrophobicContact CD2-CD1 3.52Å; L13-I366 HydrophobicContact CD2-CG1 4.42Å; L13-I366 HydrophobicContact CG-CD1 4.34Å
14Y91.8Very high82.3Confident39 Ų3965.3 Ų65.315%0.15337%0.369CS..Hα-helixtrans-63.4-33.9179.4-67.2-4000111.8V10 I18 L50 V56 D364V10-Y14 HydrophobicContact CG1-CD2 4.36Å; V10-Y14 HydrophobicContact CG1-CE1 4.36Å; V10-Y14 HydrophobicContact CG1-CE2 3.96Å; V10-Y14 PolarHBondContact O-N 3.44Å; V10-Y14 VanDerWaalsContact O-N 3.16Å; Y14-I18 WeakPolarHBondContact O-CB 3.42Å; Y14-I18 VanDerWaalsContact O-CD1 3.29Å; Y14-I18 WeakPolarHBondContact O-CD1 3.49Å; Y14-I18 WeakPolarHBondContact O-CG1 3.45Å; Y14-I18 PolarHBondContact O-N 3.36Å; Y14-L50 HydrophobicContact CD2-CD1 3.69Å; Y14-L50 HydrophobicContact CD2-CD2 3.8Å; Y14-L50 HydrophobicContact CD2-CG 4.25Å; Y14-L50 HydrophobicContact CE2-CD1 3.93Å; Y14-L50 HydrophobicContact CG-CD2 4.41Å; Y14-V56 HydrophobicContact CD2-CG2 3.6Å; Y14-V56 HydrophobicContact CE2-CG2 3.37Å; Y14-D364 VanDerWaalsContact CE2-OD2 3.27Å; Y14-D364 WeakPolarHBondContact CE2-OD2 3.2Å; Y14-D364 VanDerWaalsContact OH-CG 3.31Å; Y14-D364 PolarHBondContact OH-OD2 2.8Å
15R90Very high84.8Confident46 Ų4661.7 Ų61.717%0.17434%0.342CS..Hα-helixtrans-60.8-50.3169.6-79.1-174.7177-59.4-32.5112.5P11 K12 L13 V17 I18 E19 E47 F59 H60 S61P11-R15 WeakPolarHBondContact O-CB 3.43Å; P11-R15 VanDerWaalsContact O-CG 3.29Å; P11-R15 WeakPolarHBondContact O-CG 3.24Å; P11-R15 PolarHBondContact O-N 2.84Å; P11-R15 VanDerWaalsContact O-N 3.07Å; K12-R15 PolarHBondContact O-N 3.36Å; L13-R15 VanDerWaalsContact C-N 3.26Å; L13-R15 PolarHBondContact O-N 2.98Å; R15-V17 PolarHBondContact O-N 3.17Å; R15-I18 PolarHBondContact O-N 3.29Å; R15-E19 WeakPolarHBondContact O-CG 3.31Å; R15-E19 PolarHBondContact O-N 3.1Å; R15-E47 IonicContact CZ-OE1 3.84Å; R15-E47 IonicContact NH1-OE1 3.96Å; R15-E47 PolarHBondContact NH1-OE1 2.99Å; R15-E47 IonicContact NH2-OE1 2.9Å; R15-E47 PolarHBondContact NH2-OE1 2.95Å; R15-F59 HydrophobicContact CG-CD2 4.38Å; R15-F59 HydrophobicContact CG-CE2 3.52Å; R15-F59 HydrophobicContact CG-CZ 3.83Å; R15-F59 VanDerWaalsContact NH2-CD1 3.34Å; R15-H60 VanDerWaalsContact CZ-O 3.32Å; R15-H60 PolarHBondContact NE-O 3.06Å; R15-H60 VanDerWaalsContact NH2-C 3.26Å; R15-H60 PolarHBondContact NH2-O 3.09Å; R15-H60 VanDerWaalsContact NH2-O 3.14Å; R15-S61 VanDerWaalsContact NH2-CA 3.34Å
16S92.5Very high87.2Confident57 Ų5761.3 Ų61.340%0.39933%0.325SS..Hα-helixtrans-53.9-57.6176.8-161.50000110.2K12 L13 I18 E19 D20K12-S16 PolarHBondContact O-N 3.49Å; L13-S16 WeakPolarHBondContact O-CB 3.46Å; L13-S16 PolarHBondContact O-N 3.14Å; L13-S16 VanDerWaalsContact O-N 3.12Å; S16-I18 PolarHBondContact O-N 2.93Å; S16-I18 VanDerWaalsContact O-N 3.14Å; S16-E19 PolarHBondContact O-N 3.14Å; S16-D20 WeakPolarHBondContact O-CB 3.29Å; S16-D20 PolarHBondContact O-N 3.44Å; S16-D20 PolarHBondContact OG-OD2 3.03Å
17V94.4Very high89.3Confident62 Ų6261.1 Ų61.138%0.37632%0.324SS..Hα-helixtrans-57.5-36.3-177.8176.90000112.3L13 R15 V21 W46L13-V17 HydrophobicContact CD1-CG2 4.38Å; L13-V17 HydrophobicContact CG-CG2 4.35Å; L13-V17 WeakPolarHBondContact O-CG2 3.18Å; L13-V17 PolarHBondContact O-N 2.86Å; R15-V17 PolarHBondContact O-N 3.17Å; V17-V21 HydrophobicContact CG1-CG2 4.31Å; V17-V21 VanDerWaalsContact O-CB 3.28Å; V17-V21 WeakPolarHBondContact O-CB 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.39Å; V17-V21 PolarHBondContact O-N 3.36Å; V17-W46 HydrophobicContact CG1-CH2 4.46Å
18I94.6Very high91.2Very high2 Ų262 Ų621%0.0132%0.324CS..Hα-helixtrans-67.4-47.2174.9-70.9163.5000111.5Y14 R15 S16 I22 K43 W46 L50 F59Y14-I18 WeakPolarHBondContact O-CB 3.42Å; Y14-I18 VanDerWaalsContact O-CD1 3.29Å; Y14-I18 WeakPolarHBondContact O-CD1 3.49Å; Y14-I18 WeakPolarHBondContact O-CG1 3.45Å; Y14-I18 PolarHBondContact O-N 3.36Å; R15-I18 PolarHBondContact O-N 3.29Å; S16-I18 PolarHBondContact O-N 2.93Å; S16-I18 VanDerWaalsContact O-N 3.14Å; I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 VanDerWaalsContact O-CB 3.25Å; I18-I22 WeakPolarHBondContact O-CB 3.5Å; I18-I22 WeakPolarHBondContact O-CG1 3.43Å; I18-I22 PolarHBondContact O-N 3.07Å; I18-K43 HydrophobicContact CG2-CG 4.06Å; I18-W46 HydrophobicContact CB-CE3 4.31Å; I18-W46 HydrophobicContact CB-CH2 4.28Å; I18-W46 HydrophobicContact CB-CZ3 4.08Å; I18-W46 HydrophobicContact CD1-CD2 4.25Å; I18-W46 HydrophobicContact CD1-CZ2 4.48Å; I18-W46 HydrophobicContact CG1-CD2 3.72Å; I18-W46 HydrophobicContact CG1-CE3 3.75Å; I18-W46 HydrophobicContact CG1-CG 4.47Å; I18-W46 HydrophobicContact CG1-CH2 3.61Å; I18-W46 HydrophobicContact CG1-CZ2 3.58Å; I18-W46 HydrophobicContact CG1-CZ3 3.7Å; I18-W46 HydrophobicContact CG2-CE3 4.09Å; I18-W46 HydrophobicContact CG2-CZ3 4.22Å; I18-L50 HydrophobicContact CD1-CD2 4.31Å; I18-F59 HydrophobicContact CD1-CE2 4.34Å; I18-F59 HydrophobicContact CD1-CZ 3.71Å
19E95Very high92.8Very high65 Ų6560.1 Ų60.130%0.30431%0.312SS..Hα-helixtrans-65.1-45177.6-61.1-58.816300111.4R15 S16 I22 N23 K43R15-E19 WeakPolarHBondContact O-CG 3.31Å; R15-E19 PolarHBondContact O-N 3.1Å; S16-E19 PolarHBondContact O-N 3.14Å; E19-I22 PolarHBondContact O-N 2.84Å; E19-N23 WeakPolarHBondContact O-CB 3.31Å; E19-N23 VanDerWaalsContact O-CG 3.25Å; E19-N23 PolarHBondContact O-N 3.49Å; E19-N23 PolarHBondContact O-ND2 3.29Å; E19-K43 VanDerWaalsContact OE1-CE 3.26Å; E19-K43 WeakPolarHBondContact OE1-CE 3.13Å; E19-K43 IonicContact OE1-NZ 3.53Å; E19-K43 PolarHBondContact OE1-NZ 3Å; E19-K43 IonicContact OE2-NZ 2.69Å; E19-K43 PolarHBondContact OE2-NZ 3.43Å
20D96.4Very high93.3Very high77 Ų7761.1 Ų61.141%0.41231%0.314SS..Hα-helixtrans-58.6-54-179.8-59.1-31.3000109.7S16 I22 N23 D24S16-D20 WeakPolarHBondContact O-CB 3.29Å; S16-D20 PolarHBondContact O-N 3.44Å; S16-D20 PolarHBondContact OG-OD2 3.03Å; D20-I22 PolarHBondContact O-N 3.32Å; D20-N23 PolarHBondContact O-N 3.47Å; D20-D24 PolarHBondContact O-N 3.46Å
21V96.9Very high93.7Very high60 Ų6067.6 Ų67.636%0.36435%0.348SS..Hα-helixtrans-60.6-41.9176.71700000112.4V17 N23 D24 V25 W46V17-V21 HydrophobicContact CG1-CG2 4.31Å; V17-V21 VanDerWaalsContact O-CB 3.28Å; V17-V21 WeakPolarHBondContact O-CB 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.39Å; V17-V21 PolarHBondContact O-N 3.36Å; V21-N23 VanDerWaalsContact C-N 3.31Å; V21-N23 PolarHBondContact O-N 3.24Å; V21-D24 PolarHBondContact O-N 2.86Å; V21-V25 HydrophobicContact CG1-CG1 4.39Å; V21-V25 WeakPolarHBondContact O-CG1 3.15Å; V21-V25 VanDerWaalsContact O-CG2 3.28Å; V21-V25 WeakPolarHBondContact O-CG2 3.31Å; V21-V25 PolarHBondContact O-N 3.12Å; V21-W46 HydrophobicContact CB-CH2 4.27Å; V21-W46 HydrophobicContact CB-CZ3 4.13Å; V21-W46 HydrophobicContact CG1-CH2 4.4Å; V21-W46 HydrophobicContact CG1-CZ3 4.05Å; V21-W46 HydrophobicContact CG2-CH2 4.4Å
22I96.2Very high94Very high2 Ų273.5 Ų73.51%0.0138%0.379CS..Hα-helixtrans-69-29.6-179.9-70.5-69.5000112I18 E19 D20 L39 M40 L42 K43I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 VanDerWaalsContact O-CB 3.25Å; I18-I22 WeakPolarHBondContact O-CB 3.5Å; I18-I22 WeakPolarHBondContact O-CG1 3.43Å; I18-I22 PolarHBondContact O-N 3.07Å; E19-I22 PolarHBondContact O-N 2.84Å; D20-I22 PolarHBondContact O-N 3.32Å; I22-L39 HydrophobicContact CD1-CD1 3.66Å; I22-L39 HydrophobicContact CD1-CG 4.34Å; I22-L39 HydrophobicContact CG2-CD1 4.27Å; I22-L39 HydrophobicContact CG2-CD2 4.32Å; I22-L39 HydrophobicContact CG2-CG 4.09Å; I22-M40 HydrophobicContact CG2-CE 3.87Å; I22-L42 HydrophobicContact CD1-CD2 4.37Å; I22-L42 HydrophobicContact CD1-CG 4.4Å; I22-K43 HydrophobicContact CD1-CB 3.82Å; I22-K43 HydrophobicContact CG1-CB 3.99Å; I22-K43 HydrophobicContact CG1-CD 4.35Å; I22-K43 HydrophobicContact CG1-CG 4.2Å; I22-K43 HydrophobicContact CG2-CD 4.29Å
23N95.4Very high94.3Very high80 Ų8070.6 Ų70.643%0.42839%0.386SS..Hα-helixtrans-75.6-44.4173.3-70.5-44.3000111.5E19 D20 V21 V25 R26E19-N23 WeakPolarHBondContact O-CB 3.31Å; E19-N23 VanDerWaalsContact O-CG 3.25Å; E19-N23 PolarHBondContact O-N 3.49Å; E19-N23 PolarHBondContact O-ND2 3.29Å; D20-N23 PolarHBondContact O-N 3.47Å; V21-N23 VanDerWaalsContact C-N 3.31Å; V21-N23 PolarHBondContact O-N 3.24Å; N23-V25 PolarHBondContact O-N 3.5Å; N23-R26 WeakPolarHBondContact O-CB 3.27Å; N23-R26 PolarHBondContact O-N 3.1Å
24D96.4Very high94.5Very high126 Ų12669.5 Ų69.567%0.67438%0.382SS*.Hα-helixtrans-65.7-38.9-178.5-69.9-15.1000112.7D20 V21 R26D20-D24 PolarHBondContact O-N 3.46Å; V21-D24 PolarHBondContact O-N 2.86Å; D24-R26 VanDerWaalsContact C-N 3.3Å; D24-R26 PolarHBondContact O-N 3.06Å
25V96.3Very high94.5Very high37 Ų3772.7 Ų72.722%0.22440%0.402CS..THydrogen-bonded Turntrans-83.1-3.5178.3-51.70000113.6V21 N23 D27 I28 F29 L39V21-V25 HydrophobicContact CG1-CG1 4.39Å; V21-V25 WeakPolarHBondContact O-CG1 3.15Å; V21-V25 VanDerWaalsContact O-CG2 3.28Å; V21-V25 WeakPolarHBondContact O-CG2 3.31Å; V21-V25 PolarHBondContact O-N 3.12Å; N23-V25 PolarHBondContact O-N 3.5Å; V25-D27 PolarHBondContact O-N 3.2Å; V25-I28 PolarHBondContact O-N 2.84Å; V25-F29 HydrophobicContact CB-CD2 4.29Å; V25-F29 HydrophobicContact CB-CE2 4.33Å; V25-F29 HydrophobicContact CG2-CD2 4.11Å; V25-F29 HydrophobicContact CG2-CE2 3.98Å; V25-F29 VanDerWaalsContact O-CD2 3.29Å; V25-F29 WeakPolarHBondContact O-CD2 3.38Å; V25-F29 PolarHBondContact O-N 3.09Å; V25-L39 HydrophobicContact CG2-CD1 3.59Å
26R95.1Very high94.7Very high67 Ų6774.6 Ų74.625%0.25341%0.413SS..Hα-helixtrans-57.2-50.4-178.1175.4-178.2-75.2-84.7-5.5112N23 D24 I28 F29 L30 E36 L39N23-R26 WeakPolarHBondContact O-CB 3.27Å; N23-R26 PolarHBondContact O-N 3.1Å; D24-R26 VanDerWaalsContact C-N 3.3Å; D24-R26 PolarHBondContact O-N 3.06Å; R26-I28 VanDerWaalsContact C-N 3.32Å; R26-I28 PolarHBondContact O-N 2.88Å; R26-F29 PolarHBondContact O-N 3.42Å; R26-L30 HydrophobicContact CG-CD1 4.26Å; R26-L30 WeakPolarHBondContact O-CG 3.36Å; R26-L30 PolarHBondContact O-N 3.25Å; R26-L30 VanDerWaalsContact O-N 3.12Å; R26-E36 IonicContact CZ-OE1 3.52Å; R26-E36 IonicContact NH1-OE1 3.19Å; R26-E36 PolarHBondContact NH1-OE1 3.06Å; R26-E36 IonicContact NH1-OE2 2.82Å; R26-E36 IonicContact NH2-OE1 3.45Å; R26-E36 PolarHBondContact NH2-OE1 3.11Å; R26-L39 HydrophobicContact CB-CD2 3.98Å; R26-L39 HydrophobicContact CG-CD2 4.25Å
27D93.7Very high94.7Very high103 Ų10378.7 Ų78.755%0.55143%0.426SS*.Hα-helixtrans-68.5-36-176.4-63.3-26000110.6V25 F29 L30 D31V25-D27 PolarHBondContact O-N 3.2Å; D27-F29 PolarHBondContact O-N 2.98Å; D27-L30 PolarHBondContact O-N 2.7Å; D27-L30 VanDerWaalsContact O-N 3.17Å; D27-D31 WeakPolarHBondContact O-CB 3.46Å; D27-D31 PolarHBondContact O-N 3.05Å
28I95.9Very high94.7Very high100 Ų10079 Ų7951%0.51343%0.428SS..Hα-helixtrans-60.1-44.2174.2-49.4179.3000111.2V25 R26 L30 D31 D32V25-I28 PolarHBondContact O-N 2.84Å; R26-I28 VanDerWaalsContact C-N 3.32Å; R26-I28 PolarHBondContact O-N 2.88Å; I28-L30 VanDerWaalsContact C-N 3.34Å; I28-L30 PolarHBondContact O-N 2.85Å; I28-D31 PolarHBondContact O-N 3.28Å; I28-D32 PolarHBondContact O-N 3.46Å; I28-D32 VanDerWaalsContact O-N 3.09Å
29F94.9Very high94.7Very high49 Ų4979 Ų7922%0.21543%0.427CS..Hα-helixtrans-63.6-39.8176.3-89.2-122000111.8V25 R26 D27 G33 V34 V38 L39 L42V25-F29 HydrophobicContact CB-CD2 4.29Å; V25-F29 HydrophobicContact CB-CE2 4.33Å; V25-F29 HydrophobicContact CG2-CD2 4.11Å; V25-F29 HydrophobicContact CG2-CE2 3.98Å; V25-F29 VanDerWaalsContact O-CD2 3.29Å; V25-F29 WeakPolarHBondContact O-CD2 3.38Å; V25-F29 PolarHBondContact O-N 3.09Å; R26-F29 PolarHBondContact O-N 3.42Å; D27-F29 PolarHBondContact O-N 2.98Å; F29-G33 PolarHBondContact O-N 2.89Å; F29-V34 HydrophobicContact CB-CB 4.31Å; F29-V34 HydrophobicContact CD1-CB 4Å; F29-V34 HydrophobicContact CD1-CG1 3.68Å; F29-V34 HydrophobicContact CE1-CG1 4.17Å; F29-V34 HydrophobicContact CG-CB 4.44Å; F29-V34 WeakPolarHBondContact O-CA 3.31Å; F29-V34 WeakPolarHBondContact O-CB 3.39Å; F29-V34 PolarHBondContact O-N 3.44Å; F29-V38 HydrophobicContact CE1-CG1 4.33Å; F29-L39 HydrophobicContact CD1-CB 3.92Å; F29-L39 HydrophobicContact CD1-CD1 4.27Å; F29-L39 HydrophobicContact CD2-CD1 4.31Å; F29-L39 HydrophobicContact CE1-CB 4.22Å; F29-L39 HydrophobicContact CE1-CD1 4.23Å; F29-L39 HydrophobicContact CE2-CD1 4.26Å; F29-L39 HydrophobicContact CG-CB 4.47Å; F29-L39 HydrophobicContact CG-CD1 4.31Å; F29-L39 HydrophobicContact CZ-CD1 4.22Å; F29-L42 HydrophobicContact CZ-CD2 3.98Å
30L93Very high94.7Very high89 Ų8978.9 Ų78.947%0.46643%0.428SS..Hα-helixtrans-69.5-38.7178.4-67.6173.4000112.3R26 D27 I28 G33R26-L30 HydrophobicContact CG-CD1 4.26Å; R26-L30 WeakPolarHBondContact O-CG 3.36Å; R26-L30 PolarHBondContact O-N 3.25Å; R26-L30 VanDerWaalsContact O-N 3.12Å; D27-L30 PolarHBondContact O-N 2.7Å; D27-L30 VanDerWaalsContact O-N 3.17Å; I28-L30 VanDerWaalsContact C-N 3.34Å; I28-L30 PolarHBondContact O-N 2.85Å; L30-G33 WeakPolarHBondContact O-CA 3.19Å; L30-G33 PolarHBondContact O-N 3.19Å
31D94.5Very high94.6Very high145 Ų14580.4 Ų80.478%0.77543%0.432SS*.Hα-helixtrans-66.9-38.8177.6-79.6-13.4000112.4D27 I28 G33D27-D31 WeakPolarHBondContact O-CB 3.46Å; D27-D31 PolarHBondContact O-N 3.05Å; I28-D31 PolarHBondContact O-N 3.28Å; D31-G33 PolarHBondContact O-N 3.48Å
32D94.8Very high94.5Very high136 Ų13681.3 Ų81.373%0.72744%0.435SS*.THydrogen-bonded Turntrans-71.9-3.9170.8-91.1-14.1000113.2I28 V34I28-D32 PolarHBondContact O-N 3.46Å; I28-D32 VanDerWaalsContact O-N 3.09Å; D32-V34 VanDerWaalsContact C-N 3.32Å; D32-V34 HydrophobicContact CB-CG2 4.02Å
33G92.1Very high94.4Very high68 Ų6883.1 Ų83.170%0.70144%0.443SS*.THydrogen-bonded Turntrans72.422.7-178.700000114.2F29 L30 D31F29-G33 PolarHBondContact O-N 2.89Å; L30-G33 WeakPolarHBondContact O-CA 3.19Å; L30-G33 PolarHBondContact O-N 3.19Å; D31-G33 PolarHBondContact O-N 3.48Å
34V94.5Very high94.3Very high49 Ų4982.8 Ų82.830%0.29744%0.444SS..  trans-81.2133.1175.4-173.60000109.5F29 D32 V38F29-V34 HydrophobicContact CB-CB 4.31Å; F29-V34 HydrophobicContact CD1-CB 4Å; F29-V34 HydrophobicContact CD1-CG1 3.68Å; F29-V34 HydrophobicContact CE1-CG1 4.17Å; F29-V34 HydrophobicContact CG-CB 4.44Å; F29-V34 WeakPolarHBondContact O-CA 3.31Å; F29-V34 WeakPolarHBondContact O-CB 3.39Å; F29-V34 PolarHBondContact O-N 3.44Å; D32-V34 VanDerWaalsContact C-N 3.32Å; D32-V34 HydrophobicContact CB-CG2 4.02Å; V34-V38 HydrophobicContact CG1-CB 3.73Å; V34-V38 HydrophobicContact CG1-CG1 3.98Å; V34-V38 HydrophobicContact CG1-CG2 3.93Å
35D92.5Very high94.2Very high107 Ų10781.1 Ų81.157%0.57243%0.434SS*.  trans-63.8135.3178.5-166.8-59.7000111.2Q37 V38D35-Q37 PolarHBondContact O-N 3.45Å; D35-Q37 VanDerWaalsContact O-N 3.07Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.28Å; D35-Q37 PolarHBondContact OD1-N 2.92Å; D35-V38 HydrophobicContact CB-CG2 4.38Å; D35-V38 VanDerWaalsContact O-CB 3.31Å; D35-V38 WeakPolarHBondContact O-CB 3.25Å; D35-V38 PolarHBondContact O-N 2.69Å
36E93Very high94.1Very high85 Ų8583.7 Ų83.740%0.39744%0.44SS..Hα-helixtrans-55.4-27.4178-174.4-179.6167.500112.3R26 V38 L39 M40R26-E36 IonicContact CZ-OE1 3.52Å; R26-E36 IonicContact NH1-OE1 3.19Å; R26-E36 PolarHBondContact NH1-OE1 3.06Å; R26-E36 IonicContact NH1-OE2 2.82Å; R26-E36 IonicContact NH2-OE1 3.45Å; R26-E36 PolarHBondContact NH2-OE1 3.11Å; E36-V38 PolarHBondContact O-N 2.84Å; E36-L39 WeakPolarHBondContact O-CB 3.42Å; E36-L39 PolarHBondContact O-N 3.37Å; E36-L39 VanDerWaalsContact O-N 3.09Å; E36-M40 WeakPolarHBondContact O-CG 3.1Å; E36-M40 PolarHBondContact O-N 3.32Å
37Q93Very high93.9Very high144 Ų14481.4 Ų81.467%0.67343%0.432SS*.Hα-helixtrans-58.7-31.8173.4-162.9-171.1-65.600112.4D35 M40 E41D35-Q37 PolarHBondContact O-N 3.45Å; D35-Q37 VanDerWaalsContact O-N 3.07Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.28Å; D35-Q37 PolarHBondContact OD1-N 2.92Å; Q37-M40 PolarHBondContact O-N 2.89Å; Q37-E41 WeakPolarHBondContact O-CB 3.35Å; Q37-E41 PolarHBondContact O-N 3.29Å
38V94.9Very high93.7Very high68 Ų6879.6 Ų79.641%0.41242%0.422SS..Hα-helixtrans-70.4-38.1176.1-1760000110.9F29 V34 D35 E36 M40 E41 L42F29-V38 HydrophobicContact CE1-CG1 4.33Å; V34-V38 HydrophobicContact CG1-CB 3.73Å; V34-V38 HydrophobicContact CG1-CG1 3.98Å; V34-V38 HydrophobicContact CG1-CG2 3.93Å; D35-V38 HydrophobicContact CB-CG2 4.38Å; D35-V38 VanDerWaalsContact O-CB 3.31Å; D35-V38 WeakPolarHBondContact O-CB 3.25Å; D35-V38 PolarHBondContact O-N 2.69Å; E36-V38 PolarHBondContact O-N 2.84Å; V38-M40 VanDerWaalsContact C-N 3.34Å; V38-E41 PolarHBondContact O-N 3.31Å; V38-L42 PolarHBondContact O-N 3.34Å
39L94.9Very high93.4Very high1 Ų181.9 Ų81.91%0.00543%0.429CS..Hα-helixtrans-64.9-39.9173.8-178.363.9000111.2I22 V25 R26 F29 E36 L42 K43I22-L39 HydrophobicContact CD1-CD1 3.66Å; I22-L39 HydrophobicContact CD1-CG 4.34Å; I22-L39 HydrophobicContact CG2-CD1 4.27Å; I22-L39 HydrophobicContact CG2-CD2 4.32Å; I22-L39 HydrophobicContact CG2-CG 4.09Å; V25-L39 HydrophobicContact CG2-CD1 3.59Å; R26-L39 HydrophobicContact CB-CD2 3.98Å; R26-L39 HydrophobicContact CG-CD2 4.25Å; F29-L39 HydrophobicContact CD1-CB 3.92Å; F29-L39 HydrophobicContact CD1-CD1 4.27Å; F29-L39 HydrophobicContact CD2-CD1 4.31Å; F29-L39 HydrophobicContact CE1-CB 4.22Å; F29-L39 HydrophobicContact CE1-CD1 4.23Å; F29-L39 HydrophobicContact CE2-CD1 4.26Å; F29-L39 HydrophobicContact CG-CB 4.47Å; F29-L39 HydrophobicContact CG-CD1 4.31Å; F29-L39 HydrophobicContact CZ-CD1 4.22Å; E36-L39 WeakPolarHBondContact O-CB 3.42Å; E36-L39 PolarHBondContact O-N 3.37Å; E36-L39 VanDerWaalsContact O-N 3.09Å; L39-L42 WeakPolarHBondContact O-CB 3.34Å; L39-L42 PolarHBondContact O-N 2.79Å; L39-K43 PolarHBondContact O-N 2.96Å
40M93.6Very high93.1Very high64 Ų6480.7 Ų80.732%0.31542%0.424SS..Hα-helixtrans-69-34173.8-64.1-58.4102.200112.4I22 E36 Q37 V38 T44I22-M40 HydrophobicContact CG2-CE 3.87Å; E36-M40 WeakPolarHBondContact O-CG 3.1Å; E36-M40 PolarHBondContact O-N 3.32Å; Q37-M40 PolarHBondContact O-N 2.89Å; V38-M40 VanDerWaalsContact C-N 3.34Å; M40-T44 VanDerWaalsContact O-CB 3.32Å; M40-T44 WeakPolarHBondContact O-CB 3.17Å; M40-T44 PolarHBondContact O-N 2.74Å; M40-T44 PolarHBondContact O-OG1 2.88Å
41E94.1Very high92.7Very high109 Ų10978.8 Ų78.851%0.50941%0.414SS..Hα-helixtrans-65.9-43.4171.5-174.7172177.800110.9Q37 V38 K43 T44 L45Q37-E41 WeakPolarHBondContact O-CB 3.35Å; Q37-E41 PolarHBondContact O-N 3.29Å; V38-E41 PolarHBondContact O-N 3.31Å; E41-K43 PolarHBondContact O-N 3.4Å; E41-T44 PolarHBondContact O-N 2.89Å; E41-L45 HydrophobicContact CG-CD1 3.91Å; E41-L45 HydrophobicContact CG-CG 4.21Å; E41-L45 WeakPolarHBondContact O-CB 3.44Å; E41-L45 VanDerWaalsContact O-CG 3.31Å; E41-L45 WeakPolarHBondContact O-CG 3.48Å; E41-L45 PolarHBondContact O-N 3.37Å
42L95.7Very high92.1Very high78 Ų7878.6 Ų78.641%0.40841%0.408SS..Hα-helixtrans-56.6-51.5174.2173.661.3000111.3I22 F29 V38 L39 T44 L45 W46I22-L42 HydrophobicContact CD1-CD2 4.37Å; I22-L42 HydrophobicContact CD1-CG 4.4Å; F29-L42 HydrophobicContact CZ-CD2 3.98Å; V38-L42 PolarHBondContact O-N 3.34Å; L39-L42 WeakPolarHBondContact O-CB 3.34Å; L39-L42 PolarHBondContact O-N 2.79Å; L42-T44 VanDerWaalsContact C-N 3.32Å; L42-T44 PolarHBondContact O-N 3.21Å; L42-L45 PolarHBondContact O-N 3.5Å; L42-W46 WeakPolarHBondContact O-CB 3.41Å; L42-W46 PolarHBondContact O-N 2.86Å
43K94.4Very high91.5Very high41 Ų4175.3 Ų75.318%0.17840%0.396CS..Hα-helixtrans-54.3-49.2174.7-178.2175.8175.9175.90111.3I18 E19 I22 L39 E41 L45 W46 E47I18-K43 HydrophobicContact CG2-CG 4.06Å; E19-K43 VanDerWaalsContact OE1-CE 3.26Å; E19-K43 WeakPolarHBondContact OE1-CE 3.13Å; E19-K43 IonicContact OE1-NZ 3.53Å; E19-K43 PolarHBondContact OE1-NZ 3Å; E19-K43 IonicContact OE2-NZ 2.69Å; E19-K43 PolarHBondContact OE2-NZ 3.43Å; I22-K43 HydrophobicContact CD1-CB 3.82Å; I22-K43 HydrophobicContact CG1-CB 3.99Å; I22-K43 HydrophobicContact CG1-CD 4.35Å; I22-K43 HydrophobicContact CG1-CG 4.2Å; I22-K43 HydrophobicContact CG2-CD 4.29Å; L39-K43 PolarHBondContact O-N 2.96Å; E41-K43 PolarHBondContact O-N 3.4Å; K43-L45 PolarHBondContact O-N 3.02Å; K43-W46 PolarHBondContact O-N 3.3Å; K43-E47 PolarHBondContact O-N 2.89Å
44T92.2Very high91Very high73 Ų7381.5 Ų81.545%0.44840%0.398SS..Hα-helixtrans-62.3-44.1-179.4-59.50000111.9M40 E41 L42 N48M40-T44 VanDerWaalsContact O-CB 3.32Å; M40-T44 WeakPolarHBondContact O-CB 3.17Å; M40-T44 PolarHBondContact O-N 2.74Å; M40-T44 PolarHBondContact O-OG1 2.88Å; E41-T44 PolarHBondContact O-N 2.89Å; L42-T44 VanDerWaalsContact C-N 3.32Å; L42-T44 PolarHBondContact O-N 3.21Å; T44-N48 WeakPolarHBondContact CG2-ND2 3.46Å; T44-N48 WeakPolarHBondContact O-CB 3.11Å; T44-N48 PolarHBondContact O-N 2.84Å; T44-N48 PolarHBondContact O-ND2 3.16Å
45L93.9Very high90.2Very high91 Ų9179.6 Ų79.648%0.47639%0.387SS..Hα-helixtrans-67-37.3177.9-73.1174000111.8E41 L42 K43 N48 K49E41-L45 HydrophobicContact CG-CD1 3.91Å; E41-L45 HydrophobicContact CG-CG 4.21Å; E41-L45 WeakPolarHBondContact O-CB 3.44Å; E41-L45 VanDerWaalsContact O-CG 3.31Å; E41-L45 WeakPolarHBondContact O-CG 3.48Å; E41-L45 PolarHBondContact O-N 3.37Å; L42-L45 PolarHBondContact O-N 3.5Å; K43-L45 PolarHBondContact O-N 3.02Å; L45-N48 PolarHBondContact O-N 2.96Å; L45-K49 WeakPolarHBondContact O-CB 3.43Å; L45-K49 WeakPolarHBondContact O-CG 3.46Å; L45-K49 PolarHBondContact O-N 3.24Å
46W94.2Very high89.4Confident91 Ų9175 Ų7535%0.34536%0.363SS..Hα-helixtrans-66.3-50.6176.6-172.87.5000111.5V17 I18 V21 L42 K43 N48 K49 L50V17-W46 HydrophobicContact CG1-CH2 4.46Å; I18-W46 HydrophobicContact CB-CE3 4.31Å; I18-W46 HydrophobicContact CB-CH2 4.28Å; I18-W46 HydrophobicContact CB-CZ3 4.08Å; I18-W46 HydrophobicContact CD1-CD2 4.25Å; I18-W46 HydrophobicContact CD1-CZ2 4.48Å; I18-W46 HydrophobicContact CG1-CD2 3.72Å; I18-W46 HydrophobicContact CG1-CE3 3.75Å; I18-W46 HydrophobicContact CG1-CG 4.47Å; I18-W46 HydrophobicContact CG1-CH2 3.61Å; I18-W46 HydrophobicContact CG1-CZ2 3.58Å; I18-W46 HydrophobicContact CG1-CZ3 3.7Å; I18-W46 HydrophobicContact CG2-CE3 4.09Å; I18-W46 HydrophobicContact CG2-CZ3 4.22Å; V21-W46 HydrophobicContact CB-CH2 4.27Å; V21-W46 HydrophobicContact CB-CZ3 4.13Å; V21-W46 HydrophobicContact CG1-CH2 4.4Å; V21-W46 HydrophobicContact CG1-CZ3 4.05Å; V21-W46 HydrophobicContact CG2-CH2 4.4Å; L42-W46 WeakPolarHBondContact O-CB 3.41Å; L42-W46 PolarHBondContact O-N 2.86Å; K43-W46 PolarHBondContact O-N 3.3Å; W46-N48 VanDerWaalsContact C-N 3.28Å; W46-N48 PolarHBondContact O-N 3.02Å; W46-K49 PolarHBondContact O-N 3.25Å; W46-L50 WeakPolarHBondContact O-CB 3.33Å; W46-L50 PolarHBondContact O-N 3.38Å
47E91.5Very high88.1Confident19 Ų1975.7 Ų75.79%0.08937%0.369CS..Hα-helixtrans-55.5-43.7173.7-73.6-148.9123.800111.7R15 K43 L50 M51 F59 S61R15-E47 IonicContact CZ-OE1 3.84Å; R15-E47 IonicContact NH1-OE1 3.96Å; R15-E47 PolarHBondContact NH1-OE1 2.99Å; R15-E47 IonicContact NH2-OE1 2.9Å; R15-E47 PolarHBondContact NH2-OE1 2.95Å; K43-E47 PolarHBondContact O-N 2.89Å; E47-L50 PolarHBondContact O-N 3.13Å; E47-M51 WeakPolarHBondContact O-CG 3.32Å; E47-M51 PolarHBondContact O-N 3.38Å; E47-F59 HydrophobicContact CB-CE1 3.95Å; E47-F59 HydrophobicContact CG-CE1 3.81Å; E47-F59 HydrophobicContact CG-CZ 4.2Å; E47-F59 WeakPolarHBondContact OE1-CE1 3.29Å; E47-S61 WeakPolarHBondContact OE2-CB 3.29Å; E47-S61 PolarHBondContact OE2-OG 2.63Å
48N89.3Confident86.6Confident64 Ų6470.7 Ų70.734%0.34236%0.356SS..Hα-helixtrans-66.7-39.9179-83.6-68.3000113T44 L45 W46 L50 M51 Q52T44-N48 WeakPolarHBondContact CG2-ND2 3.46Å; T44-N48 WeakPolarHBondContact O-CB 3.11Å; T44-N48 PolarHBondContact O-N 2.84Å; T44-N48 PolarHBondContact O-ND2 3.16Å; L45-N48 PolarHBondContact O-N 2.96Å; W46-N48 VanDerWaalsContact C-N 3.28Å; W46-N48 PolarHBondContact O-N 3.02Å; N48-L50 VanDerWaalsContact C-N 3.34Å; N48-M51 PolarHBondContact O-N 2.81Å; N48-M51 WeakPolarHBondContact OD1-CE 3.37Å; N48-Q52 WeakPolarHBondContact O-CB 3.4Å; N48-Q52 WeakPolarHBondContact O-CG 3.26Å; N48-Q52 PolarHBondContact O-N 2.85Å; N48-Q52 PolarHBondContact O-NE2 2.8Å
49K90.2Very high85Confident149 Ų14967.7 Ų67.765%0.64834%0.338SS*.Hα-helixtrans-65.3-39.1174.4-79-178.6175.7-171.70111.6L45 W46 Q52 S53L45-K49 WeakPolarHBondContact O-CB 3.43Å; L45-K49 WeakPolarHBondContact O-CG 3.46Å; L45-K49 PolarHBondContact O-N 3.24Å; W46-K49 PolarHBondContact O-N 3.25Å; K49-Q52 PolarHBondContact O-N 3.19Å; K49-S53 PolarHBondContact O-N 3.28Å
50L89.3Confident83.4Confident23 Ų2370.8 Ų70.812%0.1235%0.352CS..Hα-helixtrans-64.4-40.2176-167.777.8000112Y14 I18 W46 E47 N48 S53 F59Y14-L50 HydrophobicContact CD2-CD1 3.69Å; Y14-L50 HydrophobicContact CD2-CD2 3.8Å; Y14-L50 HydrophobicContact CD2-CG 4.25Å; Y14-L50 HydrophobicContact CE2-CD1 3.93Å; Y14-L50 HydrophobicContact CG-CD2 4.41Å; I18-L50 HydrophobicContact CD1-CD2 4.31Å; W46-L50 WeakPolarHBondContact O-CB 3.33Å; W46-L50 PolarHBondContact O-N 3.38Å; E47-L50 PolarHBondContact O-N 3.13Å; N48-L50 VanDerWaalsContact C-N 3.34Å; L50-S53 PolarHBondContact O-OG 2.9Å; L50-F59 HydrophobicContact CD2-CD1 3.76Å; L50-F59 HydrophobicContact CD2-CD2 3.45Å; L50-F59 VanDerWaalsContact CD2-CD2 3.45Å; L50-F59 HydrophobicContact CD2-CE1 3.69Å; L50-F59 HydrophobicContact CD2-CE2 3.36Å; L50-F59 HydrophobicContact CD2-CG 3.66Å; L50-F59 HydrophobicContact CD2-CZ 3.51Å
51M82.9Confident81.9Confident50 Ų5068.9 Ų68.925%0.24635%0.345CS..Hα-helixtrans-65-39.5170.9-72.1-173.8-73.200112.4E47 N48 R54 F59E47-M51 WeakPolarHBondContact O-CG 3.32Å; E47-M51 PolarHBondContact O-N 3.38Å; N48-M51 PolarHBondContact O-N 2.81Å; N48-M51 WeakPolarHBondContact OD1-CE 3.37Å; M51-R54 PolarHBondContact O-N 2.93Å; M51-F59 HydrophobicContact CG-CD1 4.03Å; M51-F59 WeakPolarHBondContact CG-O 3.34Å
52Q82.9Confident80.3Confident141 Ų14170.9 Ų70.966%0.65935%0.354SS*.Hα-helixtrans-70-29.8-179.1-75.7169.947.900113.6N48 K49 R54N48-Q52 WeakPolarHBondContact O-CB 3.4Å; N48-Q52 WeakPolarHBondContact O-CG 3.26Å; N48-Q52 PolarHBondContact O-N 2.85Å; N48-Q52 PolarHBondContact O-NE2 2.8Å; K49-Q52 PolarHBondContact O-N 3.19Å; Q52-R54 PolarHBondContact O-N 3.32Å
53S83.1Confident78.4Confident67 Ų6774.1 Ų74.147%0.46937%0.367SS..Hα-helixtrans-62.6-24.1175.476.70000112.5K49 L50 A55K49-S53 PolarHBondContact O-N 3.28Å; L50-S53 PolarHBondContact O-OG 2.9Å; S53-A55 PolarHBondContact O-N 3.21Å; S53-A55 VanDerWaalsContact O-N 3.12Å; S53-A55 WeakPolarHBondContact OG-CB 3.36Å; S53-A55 PolarHBondContact OG-N 2.95Å
54R80.4Confident76.7Confident198 Ų19875.2 Ų75.275%0.74737%0.373SS*.  trans58.59.7-171.1-50.2-170.5-174.8110.22.4114.8M51 Q52 V56M51-R54 PolarHBondContact O-N 2.93Å; Q52-R54 PolarHBondContact O-N 3.32Å; R54-V56 PolarHBondContact O-N 3.3Å
55A77.7Confident75.1Confident8 Ų876.4 Ų76.47%0.06637%0.374CS..  trans-67.2-28.1-179.600000112S53 G362 R363 D364S53-A55 PolarHBondContact O-N 3.21Å; S53-A55 VanDerWaalsContact O-N 3.12Å; S53-A55 WeakPolarHBondContact OG-CB 3.36Å; S53-A55 PolarHBondContact OG-N 2.95Å; A55-G362 WeakPolarHBondContact CA-O 3.5Å; A55-R363 WeakPolarHBondContact O-CA 3.42Å; A55-D364 HydrophobicContact CB-CB 4.41Å; A55-D364 WeakPolarHBondContact CB-OD2 3.32Å; A55-D364 PolarHBondContact O-N 3.4Å
56V75.4Confident73.4Confident12 Ų1277.5 Ų77.57%0.07338%0.379CS..SBendtrans-116.1102.1-179.2-175.60000111.8V10 P11 Y14 R54 G58 F59 D364V10-V56 HydrophobicContact CG1-CG1 4.43Å; V10-V56 HydrophobicContact CG1-CG2 3.88Å; P11-V56 HydrophobicContact CB-CG1 3.86Å; P11-V56 HydrophobicContact CG-CG1 3.55Å; Y14-V56 HydrophobicContact CD2-CG2 3.6Å; Y14-V56 HydrophobicContact CE2-CG2 3.37Å; R54-V56 PolarHBondContact O-N 3.3Å; V56-G58 PolarHBondContact O-N 2.77Å; V56-F59 HydrophobicContact CB-CB 4.26Å; V56-F59 HydrophobicContact CG1-CB 3.93Å; V56-D364 HydrophobicContact CG2-CB 4.2Å
57D67.1Low71.8Confident98 Ų9878.1 Ų78.152%0.52439%0.389SS..THydrogen-bonded Turntrans-59.9116.5169.7-79.6-43.5000110.2R363D57-R363 WeakPolarHBondContact OD2-CD 3.18Å; D57-R363 IonicContact OD2-CZ 2.63Å; D57-R363 IonicContact OD2-NE 2.66Å; D57-R363 IonicContact OD2-NH1 2.78Å; D57-R363 PolarHBondContact OD2-NH1 3.48Å
58G61.8Low70.3Confident39 Ų3981.6 Ų81.640%0.40241%0.408SS..THydrogen-bonded Turntrans91.813.1171.300000117V56 H60V56-G58 PolarHBondContact O-N 2.77Å; G58-H60 PolarHBondContact O-N 3.48Å; G58-H60 PolarHBondContact O-ND1 3.02Å
59F60.8Low68.9Low5 Ų584.5 Ų84.52%0.02242%0.419CS..  trans-69.379.3169.7-165.3-88.7000111.3P11 R15 I18 E47 L50 M51 V56P11-F59 HydrophobicContact CB-CD2 4.12Å; R15-F59 HydrophobicContact CG-CD2 4.38Å; R15-F59 HydrophobicContact CG-CE2 3.52Å; R15-F59 HydrophobicContact CG-CZ 3.83Å; R15-F59 VanDerWaalsContact NH2-CD1 3.34Å; I18-F59 HydrophobicContact CD1-CE2 4.34Å; I18-F59 HydrophobicContact CD1-CZ 3.71Å; E47-F59 HydrophobicContact CB-CE1 3.95Å; E47-F59 HydrophobicContact CG-CE1 3.81Å; E47-F59 HydrophobicContact CG-CZ 4.2Å; E47-F59 WeakPolarHBondContact OE1-CE1 3.29Å; L50-F59 HydrophobicContact CD2-CD1 3.76Å; L50-F59 HydrophobicContact CD2-CD2 3.45Å; L50-F59 VanDerWaalsContact CD2-CD2 3.45Å; L50-F59 HydrophobicContact CD2-CE1 3.69Å; L50-F59 HydrophobicContact CD2-CE2 3.36Å; L50-F59 HydrophobicContact CD2-CG 3.66Å; L50-F59 HydrophobicContact CD2-CZ 3.51Å; M51-F59 HydrophobicContact CG-CD1 4.03Å; M51-F59 WeakPolarHBondContact CG-O 3.34Å; V56-F59 HydrophobicContact CB-CB 4.26Å; V56-F59 HydrophobicContact CG1-CB 3.93Å
60H60.9Low67.3Low66 Ų6681.2 Ų81.231%0.30641%0.412SS..  trans-100.9130.8172.1-56.8102.7000108.8R15 G58 Q64R15-H60 VanDerWaalsContact CZ-O 3.32Å; R15-H60 PolarHBondContact NE-O 3.06Å; R15-H60 VanDerWaalsContact NH2-C 3.26Å; R15-H60 PolarHBondContact NH2-O 3.09Å; R15-H60 VanDerWaalsContact NH2-O 3.14Å; G58-H60 PolarHBondContact O-N 3.48Å; G58-H60 PolarHBondContact O-ND1 3.02Å; H60-Q64 HydrophobicContact CB-CB 3.99Å
61S62.2Low65.7Low24 Ų2487.7 Ų87.717%0.16844%0.441CS..  trans-50.6145.9170.1-45.80000109.7R15 E47 E63 Q64 Q65R15-S61 VanDerWaalsContact NH2-CA 3.34Å; E47-S61 WeakPolarHBondContact OE2-CB 3.29Å; E47-S61 PolarHBondContact OE2-OG 2.63Å; S61-E63 PolarHBondContact O-N 3.49Å; S61-Q64 WeakPolarHBondContact O-CA 3.41Å; S61-Q64 WeakPolarHBondContact O-CB 3.22Å; S61-Q64 PolarHBondContact O-N 2.67Å; S61-Q65 PolarHBondContact O-N 2.94Å
62E60.2Low64.5Low151 Ų15193.2 Ų93.271%0.70647%0.466SS*.Hα-helixtrans-54.3-36.1-170.2-166.3166.2111.900112.7Q65 L66E62-Q65 PolarHBondContact O-N 3.5Å; E62-L66 PolarHBondContact O-N 3.12Å
63E55.5Low63.1Low146 Ų14694.5 Ų94.568%0.68247%0.472SS*.Hα-helixtrans-56.3-48.7170.5-170.6178.3104.800113.5S61 Q65 L66 L67S61-E63 PolarHBondContact O-N 3.49Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; E63-Q65 PolarHBondContact O-N 3.33Å; E63-L66 PolarHBondContact O-N 3.14Å; E63-L67 HydrophobicContact CG-CD1 4.15Å; E63-L67 WeakPolarHBondContact O-CB 3.36Å; E63-L67 WeakPolarHBondContact O-CD1 3.41Å; E63-L67 PolarHBondContact O-N 3.26Å
64Q58.1Low61.5Low64 Ų6498.1 Ų98.130%0.29948%0.481SS..Hα-helixtrans-65.5-35.6176.3-72.5-175.25300112H60 S61 L67 L68H60-Q64 HydrophobicContact CB-CB 3.99Å; S61-Q64 WeakPolarHBondContact O-CA 3.41Å; S61-Q64 WeakPolarHBondContact O-CB 3.22Å; S61-Q64 PolarHBondContact O-N 2.67Å; Q64-L67 PolarHBondContact O-N 2.97Å; Q64-L68 PolarHBondContact O-N 2.98Å
65Q58.8Low59.5Low99 Ų9997.2 Ų97.246%0.46349%0.486SS..Hα-helixtrans-68.2-39.7176.9-164.9167.2122.700111.5S61 E62 E63 Q69S61-Q65 PolarHBondContact O-N 2.94Å; E62-Q65 PolarHBondContact O-N 3.5Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; E63-Q65 PolarHBondContact O-N 3.33Å; Q65-Q69 WeakPolarHBondContact O-CB 3.42Å; Q65-Q69 PolarHBondContact O-N 2.78Å; Q65-Q69 VanDerWaalsContact O-N 3.13Å
66L60Low57.9Low113 Ų113101.6 Ų101.659%0.59251%0.514SS*.Hα-helixtrans-60.6-47.1170.9-123.583.4000111.3E62 E63 L68 Q69 V70E62-L66 PolarHBondContact O-N 3.12Å; E63-L66 PolarHBondContact O-N 3.14Å; L66-L68 PolarHBondContact O-N 2.79Å; L66-Q69 PolarHBondContact O-N 3.42Å; L66-Q69 VanDerWaalsContact O-N 3.12Å; L66-V70 WeakPolarHBondContact O-CG2 3.25Å; L66-V70 PolarHBondContact O-N 3.34Å
67L59.3Low56.3Low104 Ų104110.4 Ų110.455%0.54555%0.554SS.*Hα-helixtrans-60.2-43179.1-89149000112.9E63 Q64 Q69 Q71E63-L67 HydrophobicContact CG-CD1 4.15Å; E63-L67 WeakPolarHBondContact O-CB 3.36Å; E63-L67 WeakPolarHBondContact O-CD1 3.41Å; E63-L67 PolarHBondContact O-N 3.26Å; Q64-L67 PolarHBondContact O-N 2.97Å; L67-Q69 VanDerWaalsContact C-N 3.31Å; L67-Q69 PolarHBondContact O-N 3.44Å; L67-Q71 WeakPolarHBondContact O-CB 3.27Å; L67-Q71 PolarHBondContact O-N 3.2Å
68L61.3Low55.1Low92 Ų92114.1 Ų114.148%0.48257%0.568SS.*Hα-helixtrans-63-37.1173.6-104.570000112.4Q64 L66 Q71 Q72Q64-L68 PolarHBondContact O-N 2.98Å; L66-L68 PolarHBondContact O-N 2.79Å; L68-Q71 PolarHBondContact O-N 2.96Å; L68-Q72 PolarHBondContact O-N 2.66Å; L68-Q72 VanDerWaalsContact O-N 3.15Å
69Q58.7Low54.2Low125 Ų125121.7 Ų121.758%0.58459%0.593SS**Hα-helixtrans-74.4-39.2-179.1-158.5164.4109.900112Q65 L66 L67 Q71 Q72 Q73Q65-Q69 WeakPolarHBondContact O-CB 3.42Å; Q65-Q69 PolarHBondContact O-N 2.78Å; Q65-Q69 VanDerWaalsContact O-N 3.13Å; L66-Q69 PolarHBondContact O-N 3.42Å; L66-Q69 VanDerWaalsContact O-N 3.12Å; L67-Q69 VanDerWaalsContact C-N 3.31Å; L67-Q69 PolarHBondContact O-N 3.44Å; Q69-Q71 VanDerWaalsContact C-N 3.34Å; Q69-Q72 PolarHBondContact O-N 2.96Å; Q69-Q73 PolarHBondContact O-N 3.37Å
70V57.7Low53.1Low81 Ų81129.3 Ų129.349%0.49163%0.629SS.*Hα-helixtrans-63.3-39.1170.9171.70000111L66 Q73 H74L66-V70 WeakPolarHBondContact O-CG2 3.25Å; L66-V70 PolarHBondContact O-N 3.34Å; V70-Q73 PolarHBondContact O-N 3.35Å; V70-H74 PolarHBondContact O-ND1 2.93Å
71Q55.5Low51.8Low159 Ų159133.7 Ų133.774%0.74365%0.649SS**Hα-helixtrans-67.8-35178.7-164.6171.4107.600112.7L67 L68 Q69L67-Q71 WeakPolarHBondContact O-CB 3.27Å; L67-Q71 PolarHBondContact O-N 3.2Å; L68-Q71 PolarHBondContact O-N 2.96Å; Q69-Q71 VanDerWaalsContact C-N 3.34Å
72Q56.7Low50.5Low166 Ų166140.5 Ų140.578%0.77668%0.678SS**Hα-helixtrans-72.5-26.4176.9-80.8-164.18800114.6L68 Q69 H74L68-Q72 PolarHBondContact O-N 2.66Å; L68-Q72 VanDerWaalsContact O-N 3.15Å; Q69-Q72 PolarHBondContact O-N 2.96Å; Q72-H74 VanDerWaalsContact C-N 3.33Å; Q72-H74 PolarHBondContact O-N 2.78Å
73Q53.8Low49.3Very low168 Ų168140.8 Ų140.879%0.78568%0.679SS**Hα-helixtrans-76.6-14.9178.3-73.5-149.64.300114.7Q69 V70 Q75Q69-Q73 PolarHBondContact O-N 3.37Å; V70-Q73 PolarHBondContact O-N 3.35Å; Q73-Q75 VanDerWaalsContact C-N 3.31Å; Q73-Q75 PolarHBondContact O-N 2.9Å
74H49.1Very low48.3Very low142 Ų142140.9 Ų140.966%0.65768%0.679SS**THydrogen-bonded Turntrans-86.718.5-173.5-78.594.7000115.5V70 Q72 P76V70-H74 PolarHBondContact O-ND1 2.93Å; Q72-H74 VanDerWaalsContact C-N 3.33Å; Q72-H74 PolarHBondContact O-N 2.78Å; H74-P76 WeakPolarHBondContact O-CD 3.27Å
75Q38.5Very low47.2Very low179 Ų179145.1 Ų145.184%0.83670%0.699SS**  trans-85.9103.3176.3-164.3171.3106.800110.8Q73Q73-Q75 VanDerWaalsContact C-N 3.31Å; Q73-Q75 PolarHBondContact O-N 2.9Å
76P45.3Very low46.2Very low101 Ų101147.1 Ų147.166%0.65671%0.708SS**  trans-84138.8-172.7-4.125.2000110.3H74 Q78H74-P76 WeakPolarHBondContact O-CD 3.27Å; P76-Q78 PolarHBondContact O-N 3.26Å
77Q41.3Very low45.2Very low197 Ų197148.1 Ų148.192%0.92171%0.709SS**  trans-60.8103.3171.9-65.5176.220.200110.7
78Q42.7Very low44.2Very low175 Ų175149.6 Ų149.682%0.81871%0.713SS**  trans-125.776.4166.9-80.9-158.267.300110.8P76P76-Q78 PolarHBondContact O-N 3.26Å
79Q42.5Very low43.4Very low198 Ų198153.1 Ų153.193%0.92573%0.727SS**  trans-16172.6157.3-117.2162.491.200110.9
80Q36.1Very low42.7Very low165 Ų165151.6 Ų151.677%0.77174%0.736SS**  trans-138.4149.6159.3-135.4-175.196.100109.6
81H34Very low42Very low158 Ų158156.7 Ų156.773%0.73175%0.754SS**  trans68.9105-172.8-52.3-83.2000116.1
82H35.8Very low41.4Very low167 Ų167153.6 Ų153.677%0.77375%0.748SS**  -169131.2120.3-99.6101.1000111.4
83H35.8Very low40.4Very low158 Ų158154.2 Ų154.273%0.73175%0.751SS**  trans65145.6162.3-66.793.9000119.1
84H34.3Very low39.8Very low147 Ų147155.3 Ų155.368%0.68176%0.756SS**  cis-168.2144.7-25.2-14782.5000107.9
85H33.8Very low39Very low154 Ų154154.6 Ų154.671%0.71376%0.762SS**  trans49125.8156.5-97.962.5000119.5
86H38.2Very low39Very low140 Ų140152.9 Ų152.965%0.64876%0.763SS**  170146.658.3-165.667.1000111.2
87H38.6Very low38.5Very low134 Ų134153.4 Ų153.462%0.6277%0.767SS**  trans57.8150.6163.5-89.660.7000119.8
88Q39.7Very low38.1Very low136 Ų136151.7 Ų151.764%0.63676%0.759SS**  cis-169.2151.5-19.6166.716991.100110.7
89Q43.3Very low37.8Very low165 Ų165151.4 Ų151.477%0.77176%0.758SS**  trans73.3114.5159.8-87.6169.2-6.400123.1
90A43.8Very low37.3Very low93 Ų93145.8 Ų145.877%0.76975%0.745SS**  60.2144.6126.500000121.5
91Q43.4Very low37.2Very low188 Ų188146.5 Ų146.588%0.87975%0.748SS**  cis-158.9174.2-16.1-114.9-149.5-1.500108.3
92P42.5Very low36.9Very low95 Ų95144.6 Ų144.662%0.61775%0.748SS**  trans-107.7158.7-150.640.3-36.9000116.7
93Q36.8Very low36.7Very low179 Ų179144.2 Ų144.284%0.83675%0.747SS**  trans173.3119.1137.4-102.7163.579.400112.8
94Q40.1Very low36.3Very low190 Ų190145.7 Ų145.789%0.88875%0.754SS**  178.9154.8101.6-108174.739.700112.2
95T33.4Very low36.2Very low127 Ų127144.5 Ų144.578%0.77976%0.756SS**  trans-112.6129.5-169.147.60000112.1
96V37.1Very low35.8Very low143 Ų143144.7 Ų144.787%0.86776%0.762SS**  trans-147115.2152.8-1720000109.6
97P35.7Very low35.6Very low113 Ų113145 Ų14573%0.73477%0.767SS**  trans-98.7159.7158.136.5-29.9000110.7
98Q33.6Very low35.2Very low160 Ų160143.8 Ų143.875%0.74877%0.771SS**  trans156.2119.6134.7-176.7154.296.100114.6
99Q35.3Very low34.5Very low170 Ų170142.3 Ų142.379%0.79478%0.782SS**  trans60.1156.2148.3-71.2163-3.100119.9
100A32.8Very low33.9Very low80 Ų80138.6 Ų138.666%0.66177%0.774SS**  cis-144.1153.15.100000113.6
101Q32.5Very low33.4Very low179 Ų179142.4 Ų142.484%0.83678%0.776SS**  trans11.3127.6137.9-56.4168.3-17.600116.8
102T29.5Very low32.7Very low118 Ų118143 Ų14372%0.72478%0.779SS**  -164.9169.157.845.60000108.9
103Q31.3Very low31.9Very low160 Ų160143.2 Ų143.275%0.74879%0.789SS**  cis-154.6177.9-6.4-125.9176.3115.900109.4
104Q27Very low31.4Very low188 Ų188141.7 Ų141.788%0.87979%0.792SS**  trans-146.9132.2159.1-86.4-168.549.600109.5
105V31.1Very low30.8Very low122 Ų122137.2 Ų137.274%0.73979%0.787SS**  trans-97.8111.5169174.50000108.9I107V105-I107 HydrophobicContact CG1-CG1 4.22Å
106L27.1Very low30.5Very low159 Ų159136.5 Ų136.583%0.83279%0.785SS**  trans-81.7126.5174.3175.571.4000109.5
107I32.8Very low29.9Very low147 Ų147138.1 Ų138.175%0.75478%0.783SS**  trans-126.2126.6165.4-55.7-178.5000108.2V105V105-I107 HydrophobicContact CG1-CG1 4.22Å
108P30.3Very low29.4Very low107 Ų107138.2 Ų138.270%0.69578%0.781SS**  trans-85.4146.2-171.333.4-35.2000113
109A25.7Very low29Very low106 Ų106137.2 Ų137.288%0.87678%0.78SS**  trans-74.1123.816800000111
110S30.8Very low28.8Very low87 Ų87135.1 Ų135.161%0.60878%0.778SS**  trans-160.7144.9157.977.60000111.7
111Q31.6Very low28.6Very low172 Ų172136.4 Ų136.480%0.80478%0.779SS**  trans64.7109.7162.4-60.4161.4100.700115.2
112Q28.8Very low28.5Very low201 Ų201134.2 Ų134.294%0.93977%0.774SS**  cis59.869.642.1-151.3179.928.300112.9
113A27.6Very low28.4Very low99 Ų99133.4 Ų133.482%0.81877%0.773SS**  trans-138.9129.8165.800000110.2
114T26.2Very low28.6Very low148 Ų148134.2 Ų134.291%0.90877%0.774SS**  trans-79.7136.1178.548.10000111.5
115A27.1Very low28.6Very low95 Ų95132.3 Ų132.379%0.78577%0.769SS**  trans-121.4147.5167.800000110.6
116P27Very low28.7Very low113 Ų113133.5 Ų133.573%0.73477%0.769SS**  trans-92.4146.5-153.134.5-36000115.2
117Q24.4Very low28.8Very low177 Ų177133 Ų13383%0.82776%0.763SS**  trans-64.6126.1159.2-69.4-77.74.200109.6
118V24.6Very low28.7Very low114 Ų114133.8 Ų133.869%0.69176%0.763SS**  trans-10894.2171.2-179.90000109.1V120V118-V120 HydrophobicContact CG1-CG2 3.74Å
119I26.2Very low28.6Very low140 Ų140136.9 Ų136.972%0.71877%0.77SS**  trans-72.8130.8161.1-104.467.2000107.6
120V30Very low29Very low126 Ų126138.3 Ų138.376%0.76476%0.763SS**  trans-126.5110.7165.7-165.60000109.3V118V118-V120 HydrophobicContact CG1-CG2 3.74Å
121P29.3Very low28.9Very low106 Ų106138.6 Ų138.669%0.68877%0.771SS**  trans-95.5131.3162.534-25.1000109.8
122D29.9Very low29.1Very low134 Ų134134.6 Ų134.672%0.71776%0.762SS**  -170.5158.3117.5-166.5-145.9000110.8K124D122-K124 WeakPolarHBondContact OD1-CE 3.42Å
123S27.6Very low29.3Very low101 Ų101132.9 Ų132.971%0.70676%0.759SS**  trans-99.1128.2176.5-58.40000111.8
124K34.6Very low29.5Very low176 Ų176137.1 Ų137.177%0.76576%0.764SS**  trans-149.5120149-91.1111.5-158.5-62.40111.8D122D122-K124 WeakPolarHBondContact OD1-CE 3.42Å
125L28.5Very low29.7Very low149 Ų149135.5 Ų135.578%0.7876%0.759SS**  37.9117.9129-140.170.3000116
126I32.8Very low29.8Very low146 Ų146135.5 Ų135.575%0.74976%0.759SS**  -161.815684.2-90.9152.6000110.8
127Q27.9Very low29.9Very low149 Ų149134.4 Ų134.470%0.69676%0.76SS**  trans-63.3162.5174.6-69.8137.6-37.900111.1
128H32.8Very low30Very low164 Ų164130.4 Ų130.476%0.75976%0.757SS**  -173.4167.885.6-86.9-78.6000111.7
129M27.1Very low30.1Very low172 Ų172131.6 Ų131.685%0.84777%0.765SS**  trans-56.3156.5-175.8-65.4154.770.700112.8
130N33.4Very low30.1Very low135 Ų135129.2 Ų129.272%0.72277%0.766SS**  -157.1159.454.5-171.524.6000113.8
131A29.5Very low30Very low94 Ų94128.2 Ų128.278%0.77777%0.771SS**  trans-129.5111.4179.400000111.3
132S35.8Very low30Very low88 Ų88129.3 Ų129.362%0.61578%0.776SS**  trans-167.388.5171.850.30000112.5
133N33.2Very low30Very low165 Ų165131.2 Ų131.288%0.88279%0.785SS**  162.4124.6117.7-83.71.7000112.2
134M31.1Very low29.9Very low187 Ų187130.8 Ų130.892%0.92179%0.788SS**  trans-89.4154.1161.2-59.7179.818000109
135S29.9Very low29.7Very low114 Ų114130.5 Ų130.580%0.79779%0.793SS**  171.6134.1101.1-167.30000113.9
136A29.9Very low29.7Very low95 Ų95129 Ų12979%0.78579%0.793SS**  trans62.8151.6151.600000119.4
137A28.3Very low29.5Very low90 Ų90127.4 Ų127.474%0.74480%0.801SS**  cis-147.9154.513.600000114.3
138A27.5Very low29.9Very low93 Ų93123.9 Ų123.977%0.76981%0.805SS**  trans55.6138.4146.800000119.6
139T26.4Very low30.1Very low140 Ų140122.9 Ų122.986%0.85981%0.81SS**  cis-162.3154.55.7-5.20000105.8
140A27Very low30.9Very low89 Ų89117.8 Ų117.874%0.73679%0.789SS**  cis-162.5172.626.700000112.4
141A28.3Very low31.4Very low105 Ų105116.8 Ų116.887%0.86879%0.79SS**  trans59.277.8159.400000118.4
142T27.9Very low32.5Very low130 Ų130115.9 Ų115.980%0.79878%0.775SS**  trans-92.4132.4155.8-1750000110.5
143L30.3Very low33.4Very low174 Ų174118.2 Ų118.291%0.91178%0.775SS**  trans-116.1125.4159.4-122.781.3000107.5
144A25.1Very low34.3Very low92 Ų92116 Ų11676%0.7676%0.76SS**  trans-71.2137.1-162.700000114.2
145L30Very low35.2Very low169 Ų169111 Ų11189%0.88574%0.736SS**  trans-137.6148.8158.6-74.4178.1000110.1
146P29.4Very low36.2Very low118 Ų118110.1 Ų110.177%0.76672%0.722SS**  trans-81.8169-164.532.9-37.1000114.9
147A29.2Very low37.3Very low112 Ų112107.3 Ų107.393%0.92670%0.695SS**SBendtrans-42.9133.6-171.600000116.6
148G35.9Very low38.2Very low76 Ų76111 Ų11178%0.78470%0.702SS**SBendtrans146.1-24.7159.300000116
149V36.6Very low39.1Very low143 Ų143110.7 Ų110.787%0.86770%0.695SS**  trans-139127.8-174.9-68.10000112
150T44.6Very low40.3Very low64 Ų64105 Ų10539%0.39366%0.663SS.*PPolyproline II helixtrans-90.4157.1176.417.20000111.4V152 R167T150-V152 PolarHBondContact O-N 2.88Å; T150-R167 PolarHBondContact OG1-O 2.84Å
151P43.5Very low41.4Very low114 Ų114104.4 Ų104.474%0.7465%0.646SS**PPolyproline II helixtrans-58.9130.9-177.224.3-34.4000111.2
152V51.7Low42.5Very low76 Ų76101.6 Ų101.646%0.46162%0.615SS.*PPolyproline II helixtrans-83.2119.4175.6178.40000108.2T150 Q164 V166T150-V152 PolarHBondContact O-N 2.88Å; V152-Q164 HydrophobicContact CG1-CG 3.2Å; V152-V166 HydrophobicContact CG1-CG2 4.25Å; V152-V166 HydrophobicContact CG2-CG2 4.26Å
153Q54.5Low43.6Very low136 Ų13696.9 Ų96.964%0.63659%0.585SS**EExtended strand (participates in β ladder)trans-102.3122-177.3-165.3151.13900110.1V165Q153-V165 HydrophobicContact CB-CB 4.49Å; Q153-V165 PolarHBondContact N-O 2.91Å; Q153-V165 PolarHBondContact O-N 2.8Å
154Q52.4Low44.8Very low119 Ų11992.2 Ų92.256%0.55656%0.559SS**EExtended strand (participates in β ladder)trans-95.9120180-153169.638.500109.2L162 L163Q154-L162 HydrophobicContact CG-CD2 4.19Å; Q154-L163 CarbonylContact C-O 3.59Å; Q154-L163 WeakPolarHBondContact CA-O 3.44Å
155I49.9Very low46.5Very low82 Ų8288.6 Ų88.642%0.42153%0.527SS..EExtended strand (participates in β ladder)trans-108.3124.5-179.4-57179.6000107.5L163 V165I155-L163 HydrophobicContact CB-CB 4.33Å; I155-L163 PolarHBondContact N-O 3.47Å; I155-L163 PolarHBondContact O-N 2.79Å; I155-V165 HydrophobicContact CD1-CG2 3.53Å; I155-V165 HydrophobicContact CG1-CG2 4.08Å
156L50.8Low47.9Very low96 Ų9682.6 Ų82.650%0.50350%0.497SS..EExtended strand (participates in β ladder)trans-91.4119.9170.4-177.763.5000108.5L162L156-L162 HydrophobicContact CB-CD2 4.41Å; L156-L162 HydrophobicContact CD1-CD2 3.88Å; L156-L162 HydrophobicContact CD1-CG 4.35Å
157T54.3Low49.1Very low36 Ų3683.6 Ų83.622%0.22149%0.486CS..  trans-73.8160.3174.765.20000111.3S159 G160 Q161 L163T157-S159 PolarHBondContact O-N 3.17Å; T157-S159 VanDerWaalsContact O-N 3.11Å; T157-S159 PolarHBondContact OG1-N 2.77Å; T157-S159 PolarHBondContact OG1-OG 2.91Å; T157-G160 PolarHBondContact O-N 3.42Å; T157-G160 PolarHBondContact OG1-N 2.74Å; T157-Q161 HydrophobicContact CG2-CB 4.4Å; T157-Q161 PolarHBondContact N-O 2.99Å; T157-Q161 WeakPolarHBondContact OG1-CB 3.48Å; T157-Q161 PolarHBondContact OG1-N 2.98Å; T157-Q161 PolarHBondContact OG1-O 3.31Å; T157-L163 HydrophobicContact CG2-CD1 3.44Å; T157-L163 VanDerWaalsContact CG2-CD1 3.44Å; T157-L163 HydrophobicContact CG2-CG 3.93Å
158N46.5Very low50.4Low166 Ų16679.8 Ų79.889%0.88845%0.454SS*.THydrogen-bonded Turntrans-58.9-19.8168.5-76.5-48000113.3G160N158-G160 VanDerWaalsContact C-N 3.29Å
159S47.7Very low51Low88 Ų8881.6 Ų81.662%0.61546%0.462SS*.THydrogen-bonded Turntrans-85.28.7172.251.10000114.5T157 Q161T157-S159 PolarHBondContact O-N 3.17Å; T157-S159 VanDerWaalsContact O-N 3.11Å; T157-S159 PolarHBondContact OG1-N 2.77Å; T157-S159 PolarHBondContact OG1-OG 2.91Å; S159-Q161 PolarHBondContact O-N 3.36Å
160G49.9Very low52.3Low19 Ų1980.5 Ų80.520%0.19645%0.451CS..SBendtrans74.17.7178.900000114.7T157 N158T157-G160 PolarHBondContact O-N 3.42Å; T157-G160 PolarHBondContact OG1-N 2.74Å; N158-G160 VanDerWaalsContact C-N 3.29Å
161Q51.3Low52.9Low78 Ų7879.4 Ų79.436%0.36445%0.453SS..  trans-83.3129.6177-60.8-164.880.100110T157 S159 Q177T157-Q161 HydrophobicContact CG2-CB 4.4Å; T157-Q161 PolarHBondContact N-O 2.99Å; T157-Q161 WeakPolarHBondContact OG1-CB 3.48Å; T157-Q161 PolarHBondContact OG1-N 2.98Å; T157-Q161 PolarHBondContact OG1-O 3.31Å; S159-Q161 PolarHBondContact O-N 3.36Å; Q161-Q177 VanDerWaalsContact OE1-CD 3.27Å
162L50.8Low53.2Low45 Ų4575.5 Ų75.524%0.23643%0.43CS..EExtended strand (participates in β ladder)trans-76.6127166.1-64.4168.6000108Q154 L156 P178 V182Q154-L162 HydrophobicContact CG-CD2 4.19Å; L156-L162 HydrophobicContact CB-CD2 4.41Å; L156-L162 HydrophobicContact CD1-CD2 3.88Å; L156-L162 HydrophobicContact CD1-CG 4.35Å; L162-P178 HydrophobicContact CB-CG 4.08Å; L162-P178 WeakPolarHBondContact O-CD 3.4Å; L162-P178 VanDerWaalsContact O-CG 3.25Å; L162-P178 WeakPolarHBondContact O-CG 3.17Å; L162-V182 HydrophobicContact CD1-CG2 3.92Å; L162-V182 HydrophobicContact CG-CG2 4.37Å
163L50.6Low53.3Low31 Ų3177.1 Ų77.116%0.16243%0.433CS..EExtended strand (participates in β ladder)trans-109.1143.1166.5-62.8167.4000107.7Q154 I155 T157 I175 Q177Q154-L163 CarbonylContact C-O 3.59Å; Q154-L163 WeakPolarHBondContact CA-O 3.44Å; I155-L163 HydrophobicContact CB-CB 4.33Å; I155-L163 PolarHBondContact N-O 3.47Å; I155-L163 PolarHBondContact O-N 2.79Å; T157-L163 HydrophobicContact CG2-CD1 3.44Å; T157-L163 VanDerWaalsContact CG2-CD1 3.44Å; T157-L163 HydrophobicContact CG2-CG 3.93Å; L163-I175 HydrophobicContact CB-CG2 4.16Å; L163-I175 HydrophobicContact CD1-CG2 4.38Å; L163-I175 HydrophobicContact CD2-CG2 3.84Å; L163-I175 HydrophobicContact CG-CG2 4.36Å; L163-Q177 HydrophobicContact CD2-CB 4.07Å; L163-Q177 HydrophobicContact CD2-CG 4.2Å
164Q57Low53.2Low77 Ų7776 Ų7636%0.3642%0.423SS..EExtended strand (participates in β ladder)trans-117.3108.3178.9-168.716347.400108.8V152 F176V152-Q164 HydrophobicContact CG1-CG 3.2Å; Q164-F176 HydrophobicContact CB-CB 4.36Å; Q164-F176 PolarHBondContact N-O 2.82Å; Q164-F176 PolarHBondContact O-N 3.33Å
165V59.1Low53.3Low15 Ų1576 Ų769%0.09143%0.426CS..EExtended strand (participates in β ladder)trans-92121.9-179.9-174.30000109.1Q153 I155 Q173 Y174 I175Q153-V165 HydrophobicContact CB-CB 4.49Å; Q153-V165 PolarHBondContact N-O 2.91Å; Q153-V165 PolarHBondContact O-N 2.8Å; I155-V165 HydrophobicContact CD1-CG2 3.53Å; I155-V165 HydrophobicContact CG1-CG2 4.08Å; V165-Q173 HydrophobicContact CG1-CB 4.48Å; V165-Y174 WeakPolarHBondContact CA-O 3.17Å; V165-I175 HydrophobicContact CG2-CG1 4.36Å
166V60.4Low53.3Low43 Ų4377.2 Ų77.226%0.26143%0.428SS..EExtended strand (participates in β ladder)trans-117.5116.5176-174.90000108.2V152 Y174 F176V152-V166 HydrophobicContact CG1-CG2 4.25Å; V152-V166 HydrophobicContact CG2-CG2 4.26Å; V166-Y174 PolarHBondContact N-O 2.88Å; V166-Y174 PolarHBondContact O-N 2.87Å; V166-F176 HydrophobicContact CB-CD2 4.42Å; V166-F176 HydrophobicContact CB-CE2 3.94Å; V166-F176 HydrophobicContact CG2-CD2 3.81Å; V166-F176 HydrophobicContact CG2-CE2 3.7Å
167R54.8Low53.2Low140 Ų14078.1 Ų78.153%0.52843%0.43SS..EExtended strand (participates in β ladder)trans-77.7135.8167.6-154.7174.8-153.8-176.28.6109.1T150 A172T150-R167 PolarHBondContact OG1-O 2.84Å; R167-A172 CarbonylContact C-O 3.52Å; R167-A172 WeakPolarHBondContact CA-O 3.41Å
168A56.1Low53.1Low31 Ų3178.9 Ų78.926%0.25644%0.436SS..  trans-97.8163.9171.200000111.7N170 G171 A172 Y174A168-N170 VanDerWaalsContact CB-OD1 3.24Å; A168-N170 WeakPolarHBondContact CB-OD1 3.44Å; A168-N170 PolarHBondContact O-N 2.8Å; A168-N170 VanDerWaalsContact O-N 3.1Å; A168-G171 PolarHBondContact O-N 2.82Å; A168-A172 PolarHBondContact N-O 3.14Å; A168-Y174 HydrophobicContact CB-CD2 4.19Å; A168-Y174 HydrophobicContact CB-CE2 3.67Å
169A48.9Very low53.1Low115 Ų11580.2 Ų80.295%0.9544%0.437SS*.THydrogen-bonded Turntrans-64.1-14.2-177.700000114.5
170N64.1Low53.1Low119 Ų11982.4 Ų82.464%0.63644%0.437SS*.THydrogen-bonded Turntrans-90.25.7172.666.2-12.8000113.4A168 A172A168-N170 VanDerWaalsContact CB-OD1 3.24Å; A168-N170 WeakPolarHBondContact CB-OD1 3.44Å; A168-N170 PolarHBondContact O-N 2.8Å; A168-N170 VanDerWaalsContact O-N 3.1Å; N170-A172 VanDerWaalsContact C-N 3.31Å; N170-A172 PolarHBondContact O-N 2.82Å; N170-A172 VanDerWaalsContact OD1-CB 3.31Å; N170-A172 WeakPolarHBondContact OD1-CB 3.43Å; N170-A172 PolarHBondContact OD1-N 2.69Å; N170-A172 VanDerWaalsContact OD1-N 3.14Å
171G56.1Low52.4Low41 Ų4186.2 Ų86.242%0.42346%0.461SS..SBendtrans86.9-13.3-178.100000115.2A168A168-G171 PolarHBondContact O-N 2.82Å
172A49.3Very low51.8Low33 Ų3384.2 Ų84.227%0.27345%0.454SS..  trans-63.5140179.100000111.8R167 A168 N170 Y174R167-A172 CarbonylContact C-O 3.52Å; R167-A172 WeakPolarHBondContact CA-O 3.41Å; A168-A172 PolarHBondContact N-O 3.14Å; N170-A172 VanDerWaalsContact C-N 3.31Å; N170-A172 PolarHBondContact O-N 2.82Å; N170-A172 VanDerWaalsContact OD1-CB 3.31Å; N170-A172 WeakPolarHBondContact OD1-CB 3.43Å; N170-A172 PolarHBondContact OD1-N 2.69Å; N170-A172 VanDerWaalsContact OD1-N 3.14Å; A172-Y174 HydrophobicContact CB-CE2 3.88Å
173Q54.5Low51.2Low109 Ų10985.3 Ų85.351%0.50946%0.462SS..EExtended strand (participates in β ladder)trans-100.9128.3173.8-66.5-81.842.700109V165V165-Q173 HydrophobicContact CG1-CB 4.48Å
174Y52.8Low50.7Low113 Ų11387.8 Ų87.844%0.44348%0.475SS..EExtended strand (participates in β ladder)trans-112.1124.6174.1-64-86000109.6V165 V166 A168 A172 F176V165-Y174 WeakPolarHBondContact CA-O 3.17Å; V166-Y174 PolarHBondContact N-O 2.88Å; V166-Y174 PolarHBondContact O-N 2.87Å; A168-Y174 HydrophobicContact CB-CD2 4.19Å; A168-Y174 HydrophobicContact CB-CE2 3.67Å; A172-Y174 HydrophobicContact CB-CE2 3.88Å; Y174-F176 VanDerWaalsContact CB-CE2 3.46Å; Y174-F176 HydrophobicContact CG-CE2 4.48Å; Y174-F176 HydrophobicContact CG-CZ 4.43Å
175I53.8Low49.7Very low118 Ų11889.5 Ų89.561%0.60548%0.483SS*.EExtended strand (participates in β ladder)trans-99.5113.2176.8-56.5179.4000108.2L163 V165L163-I175 HydrophobicContact CB-CG2 4.16Å; L163-I175 HydrophobicContact CD1-CG2 4.38Å; L163-I175 HydrophobicContact CD2-CG2 3.84Å; L163-I175 HydrophobicContact CG-CG2 4.36Å; V165-I175 HydrophobicContact CG2-CG1 4.36Å
176F50.2Low48.6Very low108 Ų10895.3 Ų95.347%0.47451%0.509SS..EExtended strand (participates in β ladder)trans-103.2127.5174.4-59.5-84.9000109.9Q164 V166 Y174 P178Q164-F176 HydrophobicContact CB-CB 4.36Å; Q164-F176 PolarHBondContact N-O 2.82Å; Q164-F176 PolarHBondContact O-N 3.33Å; V166-F176 HydrophobicContact CB-CD2 4.42Å; V166-F176 HydrophobicContact CB-CE2 3.94Å; V166-F176 HydrophobicContact CG2-CD2 3.81Å; V166-F176 HydrophobicContact CG2-CE2 3.7Å; Y174-F176 VanDerWaalsContact CB-CE2 3.46Å; Y174-F176 HydrophobicContact CG-CE2 4.48Å; Y174-F176 HydrophobicContact CG-CZ 4.43Å; F176-P178 WeakPolarHBondContact O-CD 3.43Å
177Q49.4Very low47.7Very low115 Ų11599 Ų9954%0.53752%0.524SS..  trans-9799173.2-172.4173.384.500109.1Q161 L163 Q179Q161-Q177 VanDerWaalsContact OE1-CD 3.27Å; L163-Q177 HydrophobicContact CD2-CB 4.07Å; L163-Q177 HydrophobicContact CD2-CG 4.2Å; Q177-Q179 PolarHBondContact O-N 2.87Å
178P52Low46.8Very low53 Ų5397.7 Ų97.734%0.34453%0.531SS..  trans-55.9124.7167.922.4-35.6000110.4L162 F176 Q180L162-P178 HydrophobicContact CB-CG 4.08Å; L162-P178 WeakPolarHBondContact O-CD 3.4Å; L162-P178 VanDerWaalsContact O-CG 3.25Å; L162-P178 WeakPolarHBondContact O-CG 3.17Å; F176-P178 WeakPolarHBondContact O-CD 3.43Å; P178-Q180 PolarHBondContact O-N 2.82Å
179Q46.9Very low46.1Very low194 Ų194101.8 Ų101.891%0.90755%0.548SS*.SBendtrans-78.138.2-170.2-148.5-166.33100114.2Q177Q177-Q179 PolarHBondContact O-N 2.87Å
180Q46.2Very low45.5Very low133 Ų133102 Ų10262%0.62154%0.539SS*.  trans-116.8115.6177.4-68.7-163.448.700111.3P178 V182P178-Q180 PolarHBondContact O-N 2.82Å; Q180-V182 PolarHBondContact O-N 2.84Å; Q180-V182 VanDerWaalsContact O-N 3.15Å
181S36Very low44.3Very low100 Ų100102.1 Ų102.170%0.69954%0.536SS*.  trans-64.9108.2171.2-42.20000110V183S181-V183 PolarHBondContact O-N 3.21Å
182V38.6Very low43.2Very low36 Ų36109 Ų10922%0.21856%0.56CS.*  trans-84112.3178.4174.80000109.8L162 Q180 L184 L206L162-V182 HydrophobicContact CD1-CG2 3.92Å; L162-V182 HydrophobicContact CG-CG2 4.37Å; Q180-V182 PolarHBondContact O-N 2.84Å; Q180-V182 VanDerWaalsContact O-N 3.15Å; V182-L184 HydrophobicContact CG1-CG 4.35Å; V182-L184 PolarHBondContact O-N 2.92Å; V182-L206 HydrophobicContact CG1-CD1 3.72Å; V182-L206 HydrophobicContact CG1-CD2 4.22Å; V182-L206 HydrophobicContact CG1-CG 3.87Å; V182-L206 HydrophobicContact CG2-CD2 4.39Å
183V39.1Very low42.7Very low67 Ų67114.1 Ų114.141%0.40658%0.578SS.*  trans-87.7105.5170.1-177.10000109.1S181 Q185 L209S181-V183 PolarHBondContact O-N 3.21Å; V183-Q185 HydrophobicContact CG1-CG 4.42Å; V183-Q185 PolarHBondContact O-N 3.31Å; V183-Q185 VanDerWaalsContact O-N 3.08Å; V183-L209 HydrophobicContact CG2-CD1 4.4Å
184L39Very low41.9Very low83 Ų83115.2 Ų115.244%0.43559%0.594SS.*EExtended strand (participates in β ladder)trans-75.488.1171.7-80161.9000110.5V182 Q186 Q204V182-L184 HydrophobicContact CG1-CG 4.35Å; V182-L184 PolarHBondContact O-N 2.92Å; L184-Q186 PolarHBondContact O-N 2.86Å; L184-Q204 HydrophobicContact CD2-CG 4.32Å
185Q35.8Very low41.1Very low114 Ų114114 Ų11453%0.53362%0.616SS.*EExtended strand (participates in β ladder)trans-81.3111.6164.4-91.6-17587.400110.1V183 Q187V183-Q185 HydrophobicContact CG1-CG 4.42Å; V183-Q185 PolarHBondContact O-N 3.31Å; V183-Q185 VanDerWaalsContact O-N 3.08Å; Q185-Q187 PolarHBondContact O-N 3.16Å
186Q36.8Very low40.2Very low136 Ų136111.3 Ų111.364%0.63662%0.617SS**EExtended strand (participates in β ladder)trans-93.893.9175.3-169.1158.1102.500110L184 I202L184-Q186 PolarHBondContact O-N 2.86Å; Q186-I202 HydrophobicContact CG-CG2 4.31Å
187Q40.2Very low39.3Very low120 Ų120113.9 Ų113.956%0.56164%0.641SS**EExtended strand (participates in β ladder)trans-88111.8170.7-89.4-173.6-16.200110.6Q185Q185-Q187 PolarHBondContact O-N 3.16Å
188V36.7Very low38.4Very low113 Ų113115.4 Ų115.469%0.68565%0.649SS**EExtended strand (participates in β ladder)trans-85.6113162.5-81.60000109.1P190V188-P190 WeakPolarHBondContact O-CD 3.34Å
189I41.2Very low37.5Very low118 Ų118116.4 Ų116.461%0.60566%0.661SS**  trans-89.7114.6175.6-60.3172.9000108Q191I189-Q191 PolarHBondContact O-N 3.36Å; I189-Q191 VanDerWaalsContact O-N 3.14Å
190P36.2Very low37Very low119 Ų119113 Ų11377%0.77366%0.656SS**  trans-81.49417412.72.6000109V188 M192V188-P190 WeakPolarHBondContact O-CD 3.34Å; P190-M192 PolarHBondContact O-N 2.92Å
191Q38.7Very low36.4Very low122 Ų122110.8 Ų110.857%0.5765%0.651SS**  trans-83.8106.9171.9-162.1-156.588.300109.8I189 Q193I189-Q191 PolarHBondContact O-N 3.36Å; I189-Q191 VanDerWaalsContact O-N 3.14Å; Q191-Q193 PolarHBondContact O-N 3.24Å
192M33.2Very low36.3Very low186 Ų186110 Ų11092%0.91664%0.638SS**  trans-81.9108.1171-70.5174.671.500109.9P190P190-M192 PolarHBondContact O-N 2.92Å
193Q39.1Very low36.1Very low140 Ų140111.6 Ų111.665%0.65464%0.643SS**  trans-139.4124.6169.2-152.6171.3-14.400110.2Q191Q191-Q193 PolarHBondContact O-N 3.24Å
194P38.1Very low35.8Very low132 Ų132114.3 Ų114.386%0.85765%0.652SS**SBendtrans-81.9121.8-177.631.3-32.2000110.8
195G35.3Very low35.7Very low87 Ų87114 Ų11490%0.89765%0.653SS**SBendtrans98.377.6172.200000114.4
196G36.3Very low35.6Very low62 Ų62113.5 Ų113.564%0.63965%0.653SS**  trans167.4129.9170.100000111.3Q198G196-Q198 PolarHBondContact O-N 3.13Å
197V30Very low35.6Very low161 Ų161109.2 Ų109.298%0.97664%0.642SS**  trans-72.2107.8170.6-78.30000109
198Q31.8Very low35.5Very low148 Ų148108.3 Ų108.369%0.69265%0.646SS**  trans-125.9131.8175-70.7-168.9-1.100110.8G196G196-Q198 PolarHBondContact O-N 3.13Å
199A31.4Very low35.6Very low74 Ų74108.9 Ų108.961%0.61265%0.645SS**  trans-77.4153.4175.600000110.9V201A199-V201 PolarHBondContact O-N 3.07Å
200P36.2Very low35.3Very low121 Ų121109.8 Ų109.879%0.78666%0.658SS**  trans-64.7122.4178.726.4-34.5000111.5I202P200-I202 PolarHBondContact O-N 3.31Å
201V35Very low35.1Very low87 Ų87107.8 Ų107.853%0.52766%0.659SS.*  trans-82.8111169.3174.90000108.6A199A199-V201 PolarHBondContact O-N 3.07Å
202I32.9Very low34.8Very low84 Ų84105.4 Ų105.443%0.43167%0.667SS.*EExtended strand (participates in β ladder)trans-91.6108.6171.2-59.8178.4000108.1Q186 P200Q186-I202 HydrophobicContact CG-CG2 4.31Å; P200-I202 PolarHBondContact O-N 3.31Å
203Q35.2Very low34.8Very low69 Ų69104.5 Ų104.532%0.32266%0.664SS.*EExtended strand (participates in β ladder)trans-93.3101.5176.5-153.2103.8108.400109.2V205Q203-V205 HydrophobicContact CG-CG2 4.29Å; Q203-V205 PolarHBondContact O-N 3.41Å
204Q33.7Very low34.4Very low124 Ų124103.7 Ų103.758%0.57967%0.674SS**EExtended strand (participates in β ladder)trans-79.8111.8167.7-70-172.811.500109.2L184L184-Q204 HydrophobicContact CD2-CG 4.32Å
205V36.4Very low34.5Very low77 Ų77103.1 Ų103.147%0.46767%0.671SS.*EExtended strand (participates in β ladder)trans-100.9108.6174.2173.80000108.9Q203 A207Q203-V205 HydrophobicContact CG-CG2 4.29Å; Q203-V205 PolarHBondContact O-N 3.41Å; V205-A207 PolarHBondContact O-N 3.05Å
206L34.1Very low34.2Very low103 Ų103107.7 Ų107.754%0.53967%0.668SS.*EExtended strand (participates in β ladder)trans-78.2113.9166.9-105.664.3000109.3V182V182-L206 HydrophobicContact CG1-CD1 3.72Å; V182-L206 HydrophobicContact CG1-CD2 4.22Å; V182-L206 HydrophobicContact CG1-CG 3.87Å; V182-L206 HydrophobicContact CG2-CD2 4.39Å
207A36.5Very low34.1Very low47 Ų47111.4 Ų111.439%0.38868%0.679SS.*  trans-106.3116.8172.700000109.9V205V205-A207 PolarHBondContact O-N 3.05Å
208P37.5Very low33.9Very low101 Ų101107.3 Ų107.366%0.65667%0.67SS**  trans-72132174.128.8-32.8000110.6
209L38.2Very low34Very low125 Ų125106.3 Ų106.365%0.65467%0.673SS**  trans-79.4129175.3-66.3171.7000110.3V183 G211V183-L209 HydrophobicContact CG2-CD1 4.4Å; L209-G211 PolarHBondContact O-N 2.9Å
210P34.4Very low33.8Very low137 Ų137110.9 Ų110.989%0.8969%0.686SS**  trans-81.996.7178.731.6-33000111.2
211G33.4Very low33.7Very low77 Ų77111.9 Ų111.979%0.79468%0.683SS**  trans177.9115.8170.100000114.3L209L209-G211 PolarHBondContact O-N 2.9Å
212G32.9Very low33.3Very low71 Ų71112.9 Ų112.973%0.73268%0.682SS**SBendtrans122.798.7168.900000115
213I31.9Very low33.3Very low167 Ų167114.7 Ų114.786%0.85670%0.699SS**  trans31.5136.6148.361.9177.3000122
214S31.7Very low33.2Very low124 Ų124117.6 Ų117.687%0.86771%0.713SS**  trans-61.9136.4-169.1-37.70000116.9
215P40.7Very low33.1Very low120 Ų120118.1 Ų118.178%0.77972%0.715SS**  trans-104.1131.4142.232.5-25.8000110.8
216Q28.8Very low33Very low182 Ų182118.8 Ų118.885%0.8572%0.715SS**SBendtrans-70.4162.2160.5-72.8-158.14.200110.1
217T33Very low32.8Very low140 Ų140118.7 Ų118.786%0.85971%0.714SS**SBendtrans78.792.2-176.6-28.10000112.7
218G26.8Very low32.6Very low76 Ų76123.2 Ų123.278%0.78473%0.726SS**  trans-82.6142.6-177.100000113.7
219V32.3Very low32.3Very low127 Ų127122.8 Ų122.877%0.7772%0.721SS**  trans-126.7120.3159179.20000107.2I221V219-I221 PolarHBondContact O-N 3.11Å
220I28.1Very low31.9Very low169 Ų169120.2 Ų120.287%0.86773%0.725SS**  trans-80.5114.4177.5-59.5176.6000107.8
221I33.5Very low31.9Very low143 Ų143122.1 Ų122.173%0.73373%0.728SS**PPolyproline II helixtrans-92.5119.4175.7-57.5-178000108.9V219V219-I221 PolarHBondContact O-N 3.11Å
222Q26.9Very low31.8Very low108 Ų108126.4 Ų126.451%0.50573%0.725SS.*PPolyproline II helixtrans-92.8134178-148.5-168.1118.600109.2Q224 T238Q222-Q224 PolarHBondContact O-N 3.42Å; Q222-T238 PolarHBondContact OE1-O 3.31Å
223P33Very low31.8Very low121 Ų121128 Ų12879%0.78672%0.72SS**PPolyproline II helixtrans-70.5125.9179.327.7-34.1000111.4
224Q32.7Very low31.8Very low130 Ų130126.1 Ų126.161%0.60771%0.708SS**PPolyproline II helixtrans-97.9138171.1-70.5-178.848.300110.5Q222Q222-Q224 PolarHBondContact O-N 3.42Å
225Q31.9Very low31.9Very low136 Ų136124.5 Ų124.564%0.63669%0.692SS**PPolyproline II helixtrans-90.4140.1164.6-83.8-171.97400110.1
226I34.5Very low31.4Very low90 Ų90123.6 Ų123.646%0.46268%0.68SS.*EExtended strand (participates in β ladder)trans-111.5121.3172.7-55.9172.2000107.2F228 T233I226-F228 HydrophobicContact CB-CE2 4.38Å; I226-F228 HydrophobicContact CG2-CD2 4.32Å; I226-F228 HydrophobicContact CG2-CE1 4.1Å; I226-F228 HydrophobicContact CG2-CE2 3.72Å; I226-F228 HydrophobicContact CG2-CZ 3.6Å; I226-T233 HydrophobicContact CG2-CG2 4.41Å
227L29.9Very low31.8Very low101 Ų101119 Ų11953%0.52967%0.666SS.*EExtended strand (participates in β ladder)trans-107.4122.8177.3-17169.6000109.3T229L227-T229 HydrophobicContact CG-CG2 4.47Å
228F33.2Very low31.8Very low142 Ų142116.9 Ų116.962%0.62365%0.653SS**EExtended strand (participates in β ladder)trans-96.1120.8178.2-65.3-80.8000110.6I226 T233I226-F228 HydrophobicContact CB-CE2 4.38Å; I226-F228 HydrophobicContact CG2-CD2 4.32Å; I226-F228 HydrophobicContact CG2-CE1 4.1Å; I226-F228 HydrophobicContact CG2-CE2 3.72Å; I226-F228 HydrophobicContact CG2-CZ 3.6Å; F228-T233 HydrophobicContact CE1-CG2 4.41Å
229T30.6Very low32.2Very low92 Ų92119.5 Ų119.556%0.56465%0.654SS**EExtended strand (participates in β ladder)trans-130.4149.9168.372.60000108.3L227 N231 K232L227-T229 HydrophobicContact CG-CG2 4.47Å; T229-N231 PolarHBondContact O-N 3.5Å; T229-K232 PolarHBondContact O-N 3.17Å; T229-K232 VanDerWaalsContact O-O 3.14Å
230G29.6Very low32.3Very low71 Ų71119.6 Ų119.673%0.73265%0.654SS**THydrogen-bonded Turntrans-41.8127-166.400000115.6K232G230-K232 PolarHBondContact O-N 3.27Å
231N34Very low32.3Very low178 Ų178116.5 Ų116.595%0.95265%0.654SS**THydrogen-bonded Turntrans52.611.9178.1-68.330.6000117.2T229T229-N231 PolarHBondContact O-N 3.5Å
232K31.9Very low32.2Very low167 Ų167114.3 Ų114.373%0.72666%0.658SS**EExtended strand (participates in β ladder)trans-141.8110.9176.6-67.5-169.7175.8-177.50112.8T229 G230T229-K232 PolarHBondContact O-N 3.17Å; T229-K232 VanDerWaalsContact O-O 3.14Å; G230-K232 PolarHBondContact O-N 3.27Å
233T33.9Very low32.7Very low103 Ų103115.4 Ų115.463%0.63267%0.674SS**EExtended strand (participates in β ladder)trans-78.4121.5167.4-52.50000109.5I226 F228I226-T233 HydrophobicContact CG2-CG2 4.41Å; F228-T233 HydrophobicContact CE1-CG2 4.41Å
234Q30Very low32.7Very low128 Ų128116.3 Ų116.360%0.59868%0.678SS**EExtended strand (participates in β ladder)trans-116.6118.4173.8-177176.87900109.6I236Q234-I236 HydrophobicContact CG-CG1 4.12Å
235V33.8Very low33.2Very low90 Ų90116 Ų11655%0.54569%0.686SS.*EExtended strand (participates in β ladder)trans-93.4130.6168.1-70.40000109.2P237V235-P237 WeakPolarHBondContact O-CD 3.49Å
236I31.8Very low33.4Very low101 Ų101114.4 Ų114.452%0.51870%0.697SS.*  trans-114.798.1179.7-54.2176.9000108.3Q234 T238Q234-I236 HydrophobicContact CG-CG1 4.12Å; I236-T238 PolarHBondContact O-N 2.89Å
237P35.7Very low33.3Very low86 Ų86119.3 Ų119.356%0.55872%0.718SS**  trans-79.2114.2175.129.9-32.1000110.8V235 T239V235-P237 WeakPolarHBondContact O-CD 3.49Å; P237-T239 PolarHBondContact O-N 3.32Å
238T33.9Very low33.7Very low95 Ų95119.1 Ų119.158%0.58373%0.731SS**  trans-78.9103.6175.3-40.30000110.5Q222 I236Q222-T238 PolarHBondContact OE1-O 3.31Å; I236-T238 PolarHBondContact O-N 2.89Å
239T34.5Very low33.8Very low132 Ų132120.3 Ų120.381%0.8174%0.738SS**  trans-94.6122176.652.30000111.5P237P237-T239 PolarHBondContact O-N 3.32Å
240V34.2Very low34Very low128 Ų128122.6 Ų122.678%0.77675%0.746SS**  trans-118.5132.9165.6-700000109
241A29.7Very low34.2Very low105 Ų105125.2 Ų125.287%0.86875%0.747SS**  trans-110.6139.2-165.500000113.4
242A31.5Very low34.3Very low97 Ų97120.5 Ų120.580%0.80273%0.734SS**  trans-162.3157.8163.800000109.8
243P35.6Very low34.3Very low131 Ų131119.9 Ų119.985%0.85174%0.744SS**  trans-103.8176.6-141.30.121.7000118.4
244T33.9Very low34.4Very low140 Ų140118.5 Ų118.586%0.85975%0.75SS**  trans-80.1172.5-169.425.60000116.7
245P42.5Very low34.6Very low122 Ų122121.2 Ų121.279%0.79276%0.763SS**  trans-110.1-172.4-148.943.9-39.4000116.3
246A35.9Very low34.8Very low104 Ų104126.4 Ų126.486%0.8678%0.781SS**  trans-128.9156.5169.700000112.8
247Q33.5Very low35Very low193 Ų193130.3 Ų130.390%0.90280%0.797SS**  trans-109.5153-163.6-58.9166.9-23.300114.6
248A37.3Very low35.4Very low96 Ų96130.7 Ų130.779%0.79380%0.799SS**  trans-175.9110.6142.400000108.3
249Q35.5Very low35.4Very low167 Ų167134.9 Ų134.978%0.7881%0.812SS**  79.112569.1-87.7-161.8-23.300117.1
250I35.7Very low35.7Very low141 Ų141132.6 Ų132.672%0.72381%0.807SS**  trans60.4147.4149.769.6-177.2000119.3
251T33.7Very low36.1Very low125 Ų125135.2 Ų135.277%0.76781%0.811SS**  cis-164.9136.48.66.10000106.3
252A35.2Very low36.5Very low80 Ų80136 Ų13666%0.66181%0.806SS**  101138.361.200000116
253T32.5Very low36.5Very low153 Ų153135.8 Ų135.894%0.93981%0.805SS**  trans90.8139157.770.40000123.3
254G35.2Very low36.8Very low74 Ų74138.9 Ų138.976%0.76381%0.808SS**  trans12464.9163.900000117.4
255Q35.4Very low36.9Very low185 Ų185138.7 Ų138.786%0.86481%0.807SS**  41.9115.698.4-77.8-166.5-11.100119.2
256Q37.8Very low36.8Very low199 Ų199142.6 Ų142.693%0.9382%0.815SS**  -178.3153.6118-98.3171.814.100114.6
257Q36.7Very low37.2Very low184 Ų184141.9 Ų141.986%0.8681%0.808SS**  trans-144.8-170.9177.7-134.4-162.8-12.400105.5
258P43.1Very low37.9Very low93 Ų93138.7 Ų138.760%0.60480%0.804SS**  cis-142.6-154.3-2.530.9-2.9000114.8
259Q34.8Very low38.5Very low184 Ų184142.5 Ų142.586%0.8681%0.81SS**  trans86.9144.1159.3-65.6177.1-19.200119.4
260A39.8Very low39.2Very low83 Ų83140.3 Ų140.369%0.68681%0.808SS**  cis-171.3171.8-1700000112.8
261Q42.3Very low40Very low184 Ų184141.5 Ų141.586%0.8682%0.815SS**  trans88154.2148.4-89.4175.219.100120.8
262P39.5Very low40.8Very low120 Ų120143.9 Ų143.978%0.77982%0.818SS**  -132.8-170.1-110.543.7-26000117
263A31.5Very low42Very low93 Ų93146.2 Ų146.277%0.76982%0.823SS**  trans-73.7162.5-166.200000117.8
264Q41.3Very low42.5Very low197 Ų197145.8 Ų145.892%0.92182%0.816SS**  trans-127.8139.9155.8-77.9-171.3-20.400110.7
265T35.2Very low43.4Very low136 Ų136145.9 Ų145.983%0.83482%0.816SS**  trans-95.1145.5-178.840.70000111.8
266Q41.6Very low44Very low204 Ų204143.4 Ų143.495%0.95381%0.814SS**  trans-150.4144.3155.2-112.8165.957.300110.4
267A43.7Very low44.7Very low88 Ų88137.4 Ų137.473%0.72781%0.805SS**PPolyproline II helixtrans-85.7158.8-163.500000113.5
268P47.5Very low45.3Very low126 Ų126135.8 Ų135.882%0.81880%0.803SS**PPolyproline II helixtrans-70141.6175.229.8-34.7000111.6V270P268-V270 PolarHBondContact O-N 3.24Å
269L51.2Low45.6Very low176 Ų176137 Ų13792%0.92181%0.809SS**PPolyproline II helixtrans-70116.6175.1-73.4154.6000110.1L271L269-L271 PolarHBondContact O-N 3.12Å
270V48.9Very low46.5Very low121 Ų121133.6 Ų133.673%0.73381%0.805SS**PPolyproline II helixtrans-76.2118.1165.2-73.90000109.3P268 Q272P268-V270 PolarHBondContact O-N 3.24Å; V270-Q272 PolarHBondContact O-N 3.15Å
271L52.9Low46.9Very low166 Ų166134.1 Ų134.187%0.86980%0.804SS**  trans-8986.7174.7-163.378000109.1L269L269-L271 PolarHBondContact O-N 3.12Å
272Q51.5Low47.4Very low175 Ų175133.8 Ų133.882%0.81880%0.802SS**  trans-82.7122.3168.4-62.4-175.7-82.300108.9V270V270-Q272 PolarHBondContact O-N 3.15Å
273V59.1Low48.2Very low129 Ų129136.3 Ų136.378%0.78280%0.803SS**  trans-112.8111.5166.8171.70000107.8
274D43.3Very low49.5Very low145 Ų145138.6 Ų138.678%0.77580%0.803SS**  trans-68152.1171179.831000111.1
275G53.8Low50.2Low75 Ų75137.6 Ų137.677%0.77380%0.798SS**  trans179.861.3-168.800000115.1
276T48.1Very low51.2Low134 Ų134138.9 Ų138.982%0.82280%0.8SS**  trans-74.7139.7172.6590000112.8
277G53.1Low51.8Low72 Ų72138.4 Ų138.474%0.74280%0.797SS**  trans172.1132.9163.700000116.2
278D50.2Low52.5Low151 Ų151143.6 Ų143.681%0.80781%0.807SS**  trans49.5124.3168.2-63.7-18000119.4
279T49Very low52.7Low119 Ų119144.6 Ų144.673%0.7380%0.8SS**  cis96.4129.627.174.20000115.8
280S52.5Low52.9Low112 Ų112144 Ų14478%0.78380%0.798SS**  trans63.9129174.6-79.10000117.5
281S48.8Very low53.5Low94 Ų94147.1 Ų147.166%0.65780%0.798SS**  cis91.6117.42979.50000115.1
282E53.3Low53.9Low176 Ų176146.4 Ų146.482%0.82280%0.795SS**  trans156110.1156-90.3162.3-16700105.1
283E55.6Low54Low173 Ų173145 Ų14581%0.80879%0.794SS**  92.4166.779.6-83.1-177.3-174.200111.7
284D58Low54.2Low141 Ų141145.8 Ų145.875%0.75479%0.793SS**  trans78.1134.5-177-47-22.4000117.3
285E56.5Low54.8Low177 Ų177147.3 Ų147.383%0.82780%0.795SS**  cis-157.1148.8-12-120.1170.1175.800108.4
286D56.9Low55.1Low163 Ų163152.6 Ų152.687%0.87280%0.8SS**  trans-84.7140.5-177.9-48.4-72000112.2
287E54.6Low55.6Low193 Ų193154.2 Ų154.290%0.90280%0.798SS**  trans-152.799.4160-118.1169.8-153.200110.4
288E56.7Low55.6Low197 Ų197156.9 Ų156.992%0.92180%0.796SS**  trans-101128.4168.4-66-142.6-155.300109.5
289E52.6Low56.1Low147 Ų147159.6 Ų159.669%0.68780%0.8SS**  trans-111.9101.1170.1-72.9-165.8163.200110.3Y291E289-Y291 HydrophobicContact CB-CD2 4.42Å; E289-Y291 HydrophobicContact CB-CE2 3.94Å; E289-Y291 WeakPolarHBondContact OE2-CE2 3.32Å; E289-Y291 PolarHBondContact OE2-OH 3.45Å
290D54.4Low56.5Low164 Ų164162.9 Ų162.988%0.87781%0.807SS**  trans-61.2138.9159.8-94.8-40.9000110
291Y63.5Low56.8Low187 Ų187167 Ų16773%0.73381%0.811SS**  trans-133.9130.7161.7-78.8-70.8000110.9E289E289-Y291 HydrophobicContact CB-CD2 4.42Å; E289-Y291 HydrophobicContact CB-CE2 3.94Å; E289-Y291 WeakPolarHBondContact OE2-CE2 3.32Å; E289-Y291 PolarHBondContact OE2-OH 3.45Å
292D59.4Low56.9Low151 Ų151170.5 Ų170.581%0.80782%0.823SS**  trans-58.1143.4-165.6-67.1-70.3000115.7
293D54.7Low56.6Low146 Ų146165.9 Ų165.978%0.78182%0.822SS**  trans-99.390.5166.1-171.228.4000108.6E295D293-E295 PolarHBondContact O-N 2.94Å
294D63Low56.4Low145 Ų145162.6 Ų162.678%0.77582%0.824SS**  trans-81.684.2178.2-89.8-32.1000111E296D294-E296 PolarHBondContact O-N 2.83Å
295E55.3Low56.2Low176 Ų176164.8 Ų164.882%0.82283%0.83SS**  trans-74106.7160-73.6-167.3146.900110.3D293D293-E295 PolarHBondContact O-N 2.94Å
296E60.6Low55.9Low186 Ų186164.4 Ų164.487%0.86983%0.834SS**  trans-111.1118.9168.2-91.7-89158.300111.1D294D294-E296 PolarHBondContact O-N 2.83Å
297E58Low55.5Low168 Ų168159.7 Ų159.779%0.78582%0.823SS**  trans-68.7159.8-174.6-75.4178.8131.800115
298D54.4Low55.4Low129 Ų129159.7 Ų159.769%0.6982%0.823SS**  trans55.9101.7144.8-66.9-10.3000120.7
299K60.9Low55.6Low208 Ų208155.5 Ų155.590%0.90481%0.811SS**  trans-133.792.6135-71.7-160.8177.881.60112.1K301K299-K301 PolarHBondContact O-N 2.83Å
300E56.2Low55.9Low188 Ų188157.2 Ų157.288%0.87982%0.819SS**  trans-51.9133.1162.2-60.8-178.8145.100111
301K59.9Low56.2Low198 Ų198157.2 Ų157.286%0.86181%0.814SS**  trans-152.8109.1158.2-164.2-179.2179.1-169.90111.8K299K299-K301 PolarHBondContact O-N 2.83Å
302D50.1Low56.2Low168 Ų168155.6 Ų155.690%0.89881%0.813SS**  trans-56.3136.6172.5-63.3-63.2000112.5
303G47.7Very low56.7Low78 Ų78153.1 Ų153.180%0.80481%0.805SS**  trans-163.589.6175.500000109.7
304A51.5Low57.2Low104 Ų104154.1 Ų154.186%0.8681%0.81SS**  trans-75.8175.2-179.400000112.8
305E53.6Low57.3Low188 Ų188153.1 Ų153.188%0.87981%0.805SS**  trans97.783.3158.4-149.4161.6-151.600117.4
306D49Very low57.6Low168 Ų168148 Ų14890%0.89879%0.788SS**  43.5108.9128-142.444.3000119
307G50.3Low57.9Low64 Ų64148.5 Ų148.566%0.6679%0.79SS**  trans-174.277.4176.200000112.5V309G307-V309 VanDerWaalsContact C-N 3.3Å; G307-V309 PolarHBondContact O-N 3.1Å
308Q52.3Low58.6Low193 Ų193145.5 Ų145.590%0.90278%0.78SS**  trans-70.885.6173.3-172.2175.42200110.3
309V59.6Low59.2Low109 Ų109146.4 Ų146.466%0.66179%0.785SS**  trans-94.1123.7160.9-72.90000108.2G307 E311G307-V309 VanDerWaalsContact C-N 3.3Å; G307-V309 PolarHBondContact O-N 3.1Å; V309-E311 VanDerWaalsContact C-N 3.28Å; V309-E311 HydrophobicContact CG2-CG 4.05Å; V309-E311 PolarHBondContact O-N 3.34Å
310E60.1Low59.4Low184 Ų184142 Ų14286%0.8678%0.775SS**  trans-70.993.9160.9-71-170.3141.700106.6E312E310-E312 PolarHBondContact O-N 2.91Å
311E61.3Low59.5Low164 Ų164136.9 Ų136.977%0.76676%0.76SS**  trans-68.5110.7164.7-65.8-164.6158.100107.2V309V309-E311 VanDerWaalsContact C-N 3.28Å; V309-E311 HydrophobicContact CG2-CG 4.05Å; V309-E311 PolarHBondContact O-N 3.34Å
312E63.3Low59.7Low152 Ų152134 Ų13471%0.7175%0.754SS**  trans-52.5138171.8-65.2-178.4169.700108.8E310 L314E310-E312 PolarHBondContact O-N 2.91Å; E312-L314 PolarHBondContact O-N 3.11Å
313P69.5Low60.3Low100 Ų100133.7 Ų133.765%0.64975%0.747SS**  trans-58.6115.9-174.923.6-33.2000109.6N315 S316P313-N315 PolarHBondContact O-N 2.99Å; P313-N315 VanDerWaalsContact O-N 3.14Å; P313-S316 WeakPolarHBondContact O-CB 3.29Å; P313-S316 PolarHBondContact O-N 3.24Å; P313-S316 PolarHBondContact O-OG 2.81Å
314L64Low60.8Low167 Ų167137.4 Ų137.487%0.87474%0.743SS**THydrogen-bonded Turntrans-48.4123.8170.1-61173.2000107.4E312E312-L314 PolarHBondContact O-N 3.11Å
315N65.8Low61Low124 Ų124134.2 Ų134.266%0.66372%0.721SS**THydrogen-bonded Turntrans97.216.1-165.5-144.989.3000117.1P313P313-N315 PolarHBondContact O-N 2.99Å; P313-N315 VanDerWaalsContact O-N 3.14Å
316S61.5Low61.3Low69 Ų69131.6 Ų131.648%0.48371%0.709SS.*SBendtrans-78.2-19.3170.757.50000115.3P313P313-S316 WeakPolarHBondContact O-CB 3.29Å; P313-S316 PolarHBondContact O-N 3.24Å; P313-S316 PolarHBondContact O-OG 2.81Å
317E66.8Low61.7Low195 Ų195130.9 Ų130.991%0.91170%0.7SS**SBendtrans-102.8-5.1-179-164.31678600113.2D319E317-D319 PolarHBondContact O-N 2.86Å
318D73Confident62.1Low106 Ų106134.3 Ų134.357%0.56770%0.703SS**  trans-88.743.1172.1-161.727.9000111.3V320D318-V320 VanDerWaalsContact C-N 3.28Å; D318-V320 PolarHBondContact O-N 2.96Å
319D67.5Low62.5Low148 Ų148133.6 Ų133.679%0.79170%0.697SS**  trans-83.776.2178-154.320.7000108.7E317 S321E317-D319 PolarHBondContact O-N 2.86Å; D319-S321 PolarHBondContact O-N 2.8Å; D319-S321 VanDerWaalsContact O-N 3.1Å
320V64Low62.9Low116 Ų116135.5 Ų135.570%0.70370%0.703SS**  trans-56.4113.3173.1-76.40000109.5D318 D322D318-V320 VanDerWaalsContact C-N 3.28Å; D318-V320 PolarHBondContact O-N 2.96Å; V320-D322 PolarHBondContact O-N 3.24Å; V320-D322 VanDerWaalsContact O-N 3.11Å
321S59.2Low63.6Low79 Ų79130.2 Ų130.255%0.55268%0.683SS**  trans-62.5117.3-175.853.30000111.1D319 E323 E324D319-S321 PolarHBondContact O-N 2.8Å; D319-S321 VanDerWaalsContact O-N 3.1Å; S321-E323 PolarHBondContact O-N 2.85Å; S321-E324 PolarHBondContact O-N 2.76Å
322D63.4Low64.7Low139 Ų139128.5 Ų128.574%0.74368%0.675SS**THydrogen-bonded Turntrans-54-10.7179.3-166.341.3000114.3V320V320-D322 PolarHBondContact O-N 3.24Å; V320-D322 VanDerWaalsContact O-N 3.11Å
323E62.6Low66Low161 Ų161124.2 Ų124.275%0.75266%0.658SS**THydrogen-bonded Turntrans-70.4-34.4174.8-161.3163.815900113.3S321 G325 Q326S321-E323 PolarHBondContact O-N 2.85Å; E323-G325 VanDerWaalsContact C-N 3.26Å; E323-G325 PolarHBondContact O-N 3.21Å; E323-Q326 PolarHBondContact O-N 2.88Å
324E58.3Low67.1Low155 Ų155122.4 Ų122.472%0.72465%0.645SS**Hα-helixtrans-71.5-23.5178.8-163.4171.4-162.300112S321 Q326S321-E324 PolarHBondContact O-N 2.76Å; E324-Q326 VanDerWaalsContact C-N 3.26Å; E324-Q326 PolarHBondContact O-N 2.92Å
325G57.2Low68.5Low38 Ų38117.9 Ų117.939%0.39262%0.623SS.*Hα-helixtrans-67-22.3175.500000114.2E323 F329E323-G325 VanDerWaalsContact C-N 3.26Å; E323-G325 PolarHBondContact O-N 3.21Å; G325-F329 VanDerWaalsContact O-CD2 3.27Å; G325-F329 WeakPolarHBondContact O-CD2 3.5Å; G325-F329 VanDerWaalsContact O-CE2 3.31Å; G325-F329 WeakPolarHBondContact O-CE2 3.35Å
326Q59.3Low70Confident132 Ų132117 Ų11762%0.61762%0.622SS**Hα-helixtrans-79.1-38-177.1-62.5-171.911.300112.5E323 E324 L328 F329E323-Q326 PolarHBondContact O-N 2.88Å; E324-Q326 VanDerWaalsContact C-N 3.26Å; E324-Q326 PolarHBondContact O-N 2.92Å; Q326-L328 PolarHBondContact O-N 2.93Å; Q326-F329 PolarHBondContact O-N 3.38Å
327E57.9Low71.6Confident154 Ų154115.9 Ų115.972%0.7261%0.614SS**Hα-helixtrans-64.7-25.6179-65.7-160162.100112.7F329 D330E327-F329 PolarHBondContact O-N 2.96Å; E327-F329 VanDerWaalsContact O-N 3.16Å; E327-D330 PolarHBondContact O-N 2.89Å; E327-D330 VanDerWaalsContact O-N 3.13Å
328L58.4Low73.1Confident136 Ų136111.5 Ų111.571%0.71259%0.594SS**G310 helixtrans-58.4-30.9178.3-144.581.5000112.5Q326 T331Q326-L328 PolarHBondContact O-N 2.93Å; L328-T331 PolarHBondContact O-OG1 3.19Å
329F59.5Low74.3Confident177 Ų177114.4 Ų114.478%0.77660%0.598SS**G310 helixtrans-83.8-16.8-179-63.3-77000114.3G325 Q326 E327 T331G325-F329 VanDerWaalsContact O-CD2 3.27Å; G325-F329 WeakPolarHBondContact O-CD2 3.5Å; G325-F329 VanDerWaalsContact O-CE2 3.31Å; G325-F329 WeakPolarHBondContact O-CE2 3.35Å; Q326-F329 PolarHBondContact O-N 3.38Å; E327-F329 PolarHBondContact O-N 2.96Å; E327-F329 VanDerWaalsContact O-N 3.16Å; F329-T331 PolarHBondContact O-N 3.35Å
330D67.7Low75.7Confident150 Ų150110.9 Ų110.980%0.80258%0.579SS**G310 helixtrans-87.513.8178.6-84.1-24.2000113E327 E332E327-D330 PolarHBondContact O-N 2.89Å; E327-D330 VanDerWaalsContact O-N 3.13Å; D330-E332 PolarHBondContact O-N 2.9Å
331T76.6Confident77.3Confident72 Ų72111.8 Ų111.844%0.44257%0.573SS.*  trans-72.5116.3178.6-61.10000112L328 F329 N333 V334L328-T331 PolarHBondContact O-OG1 3.19Å; F329-T331 PolarHBondContact O-N 3.35Å; T331-N333 VanDerWaalsContact C-N 3.32Å; T331-N333 WeakPolarHBondContact CG2-O 3.21Å; T331-N333 PolarHBondContact O-N 3.47Å; T331-V334 HydrophobicContact CG2-CG2 3.85Å; T331-V334 WeakPolarHBondContact O-CG2 3.32Å
332E82.8Confident79.1Confident128 Ų128111.3 Ų111.360%0.59856%0.564SS**SBendtrans-62.9-33.1178.9-175.6-168.7-165.400113.8D330D330-E332 PolarHBondContact O-N 2.9Å
333N90.9Very high80.7Confident63 Ų63109.6 Ų109.634%0.33755%0.551SS.*SBendtrans-124.6103.6-171.4-64.4-86.8000110.2T331 N359 L360 N361T331-N333 VanDerWaalsContact C-N 3.32Å; T331-N333 WeakPolarHBondContact CG2-O 3.21Å; T331-N333 PolarHBondContact O-N 3.47Å; N333-N359 CarbonylContact C-O 3.54Å; N333-N359 VanDerWaalsContact CA-O 3.32Å; N333-N359 WeakPolarHBondContact CA-O 3.3Å; N333-L360 HydrophobicContact CB-CD2 4.06Å; N333-L360 WeakPolarHBondContact OD1-CA 3.44Å; N333-N361 PolarHBondContact OD1-N 3.23Å
334V92.7Very high82.3Confident62 Ų62108.5 Ų108.538%0.37654%0.54SS..EExtended strand (participates in β ladder)trans-119.4140.9-171.6-179.20000110.6T331 V336 M358 N359T331-V334 HydrophobicContact CG2-CG2 3.85Å; T331-V334 WeakPolarHBondContact O-CG2 3.32Å; V334-V336 HydrophobicContact CG1-CG2 4.16Å; V334-M358 CarbonylContact O-C 3.56Å; V334-M358 VanDerWaalsContact O-CA 3.27Å; V334-M358 WeakPolarHBondContact O-CA 3.34Å; V334-N359 PolarHBondContact N-O 3.05Å; V334-N359 PolarHBondContact O-N 2.98Å
335V94.6Very high84.1Confident71 Ų71104.5 Ų104.543%0.4353%0.53SS..EExtended strand (participates in β ladder)trans-126.4119.2172.6178.60000109.3C337 M358 F367V335-C337 HydrophobicContact CG1-CB 4.38Å; V335-M358 HydrophobicContact CB-CG 4.31Å; V335-M358 HydrophobicContact CG1-CG 3.94Å; V335-M358 HydrophobicContact CG2-CB 4.01Å; V335-M358 HydrophobicContact CG2-CG 3.77Å; V335-M358 HydrophobicContact CG2-SD 4.13Å; V335-F367 HydrophobicContact CG1-CE1 3.99Å; V335-F367 HydrophobicContact CG1-CZ 4.24Å
336V95.4Very high86Confident105 Ų105111.1 Ų111.164%0.63655%0.548SS*.EExtended strand (participates in β ladder)trans-110120.7173-177.10000107.4V334 G356 I357V334-V336 HydrophobicContact CG1-CG2 4.16Å; V336-G356 CarbonylContact O-C 3.51Å; V336-G356 WeakPolarHBondContact O-CA 3.46Å; V336-I357 PolarHBondContact N-O 2.81Å; V336-I357 PolarHBondContact O-N 3.47Å
337C96.7Very high87.8Confident46 Ų46108 Ų10831%0.31154%0.535SS..EExtended strand (participates in β ladder)trans-161.5170.2-17666.30000112V335 K354 G356 F367V335-C337 HydrophobicContact CG1-CB 4.38Å; C337-K354 WeakPolarHBondContact CB-O 3.44Å; C337-G356 VanDerWaalsContact CB-CA 3.48Å; C337-F367 HydrophobicContact CB-CE1 4.44Å; C337-F367 HydrophobicContact CB-CE2 4.05Å; C337-F367 HydrophobicContact CB-CZ 3.53Å
338Q97.8Very high89.6Confident103 Ų103106.1 Ų106.148%0.48152%0.524SS..EExtended strand (participates in β ladder)trans-94158.5166.2-62.5171.856.400110.5L353 K354 D355Q338-L353 CarbonylContact O-C 3.56Å; Q338-L353 WeakPolarHBondContact O-CA 3.36Å; Q338-K354 HydrophobicContact CB-CD 4.46Å; Q338-K354 HydrophobicContact CB-CG 3.76Å; Q338-K354 PolarHBondContact N-O 3.42Å; Q338-K354 PolarHBondContact O-N 2.97Å; Q338-K354 VanDerWaalsContact OE1-CE 3.28Å; Q338-D355 PolarHBondContact NE2-OD2 3.15Å
339Y97.4Very high91.5Very high167 Ų167103.5 Ų103.566%0.65551%0.505SS*.EExtended strand (participates in β ladder)trans-104.2141.6169.666-90.3000111.7I342Y339-I342 HydrophobicContact CD2-CG1 4.2Å; Y339-I342 HydrophobicContact CG-CD1 4.39Å; Y339-I342 HydrophobicContact CG-CG1 4.27Å
340D97.5Very high93.3Very high74 Ų7499.2 Ų99.240%0.39649%0.486SS..EExtended strand (participates in β ladder)trans-93.5-42.1167.1-92.8-22.4000110.5H352 K354 K369D340-H352 HydrophobicContact CB-CB 4.19Å; D340-H352 PolarHBondContact N-O 2.64Å; D340-K354 VanDerWaalsContact OD1-CD 3.29Å; D340-K354 WeakPolarHBondContact OD1-CD 3.2Å; D340-K354 WeakPolarHBondContact OD1-CE 3.32Å; D340-K354 IonicContact OD1-NZ 2.69Å; D340-K354 PolarHBondContact OD1-NZ 3.12Å; D340-K369 IonicContact OD2-NZ 2.89Å; D340-K369 PolarHBondContact OD2-NZ 3.36Å
341K96.9Very high94.7Very high135 Ų13595 Ų9559%0.58746%0.461SS*.EExtended strand (participates in β ladder)trans-161.2121.6-176.1-174.3172.9-66.1-179.30112H352K341-H352 HydrophobicContact CB-CB 4.09Å; K341-H352 PolarHBondContact N-O 3.09Å; K341-H352 WeakPolarHBondContact O-CB 3.41Å; K341-H352 PolarHBondContact O-N 3.2Å
342I97.5Very high95.7Very high70 Ų7094.8 Ų94.836%0.35946%0.455SS..EExtended strand (participates in β ladder)trans-103.8132.9168.6-49.8-48.9000108.4Y339 W349 F351 L353Y339-I342 HydrophobicContact CD2-CG1 4.2Å; Y339-I342 HydrophobicContact CG-CD1 4.39Å; Y339-I342 HydrophobicContact CG-CG1 4.27Å; I342-W349 HydrophobicContact CG2-CE3 3.91Å; I342-W349 HydrophobicContact CG2-CZ3 3.91Å; I342-F351 HydrophobicContact CD1-CB 4.06Å; I342-F351 HydrophobicContact CD1-CD1 3.91Å; I342-F351 HydrophobicContact CD1-CG 4.45Å; I342-F351 HydrophobicContact CG2-CD1 4.22Å; I342-F351 HydrophobicContact CG2-CE1 4.44Å; I342-L353 HydrophobicContact CD1-CD2 4.22Å
343H96.9Very high96.5Very high102 Ų10290.6 Ų90.647%0.47244%0.436SS..EExtended strand (participates in β ladder)trans-135.8136.8179.8176.176000110.8W349 K350H343-W349 CarbonylContact O-C 3.52Å; H343-W349 WeakPolarHBondContact O-CA 3.48Å; H343-K350 HydrophobicContact CB-CB 4.37Å; H343-K350 PolarHBondContact N-O 3.42Å; H343-K350 PolarHBondContact O-N 2.57Å
344R96.7Very high96.7Very high139 Ų13990 Ų9053%0.52543%0.431SS..EExtended strand (participates in β ladder)trans-125.9136.5175.8-172.7-177.767.199.4-10.5110.9K346 K348 W349R344-K346 WeakPolarHBondContact CG-O 3.29Å; R344-K346 PolarHBondContact NH1-O 3.48Å; R344-K348 CarbonylContact C-O 3.55Å; R344-K348 WeakPolarHBondContact CA-O 3.42Å; R344-W349 HydrophobicContact CB-CD2 4.07Å; R344-W349 HydrophobicContact CB-CE3 3.93Å; R344-W349 HydrophobicContact CB-CZ3 4.19Å; R344-W349 VanDerWaalsContact CD-CE2 3.48Å; R344-W349 VanDerWaalsContact CD-CZ2 3.48Å; R344-W349 HydrophobicContact CG-CD2 3.95Å; R344-W349 HydrophobicContact CG-CE3 4.31Å; R344-W349 HydrophobicContact CG-CG 4.33Å; R344-W349 HydrophobicContact CG-CZ2 4.37Å
345S96.8Very high96.9Very high71 Ų7191.5 Ų91.550%0.49744%0.436SS..EExtended strand (participates in β ladder)trans-134.3112.3169.6-173.20000109.7N347 K348S345-N347 PolarHBondContact O-N 3.46Å; S345-K348 PolarHBondContact N-O 3.08Å; S345-K348 PolarHBondContact O-N 3.48Å
346K96Very high96.9Very high177 Ų17788.1 Ų88.177%0.7742%0.416SS*.THydrogen-bonded Turntrans53.4-118.1-166.1-57.7179.5179.8179.70110.8R344R344-K346 WeakPolarHBondContact CG-O 3.29Å; R344-K346 PolarHBondContact NH1-O 3.48Å
347N96.3Very high96.8Very high67 Ų6786.4 Ų86.436%0.35840%0.402SS..THydrogen-bonded Turntrans-90.6-7.3177.364.5-41.3000113.9S345 E375 W376S345-N347 PolarHBondContact O-N 3.46Å; N347-E375 WeakPolarHBondContact O-CA 3.25Å; N347-W376 WeakPolarHBondContact CB-O 3.43Å; N347-W376 PolarHBondContact O-N 3.41Å
348K96.9Very high96.6Very high113 Ų11386.2 Ų86.249%0.49140%0.397SS..EExtended strand (participates in β ladder)trans-88.3127-179.6-63.1178.8-179-71.90110.6R344 S345 E375R344-K348 CarbonylContact C-O 3.55Å; R344-K348 WeakPolarHBondContact CA-O 3.42Å; S345-K348 PolarHBondContact N-O 3.08Å; S345-K348 PolarHBondContact O-N 3.48Å; K348-E375 HydrophobicContact CG-CG 4.38Å; K348-E375 IonicContact NZ-OE1 2.57Å; K348-E375 PolarHBondContact NZ-OE1 3.43Å
349W98.1Very high96.3Very high81 Ų8183.6 Ų83.631%0.30739%0.387SS..EExtended strand (participates in β ladder)trans-107.9145.4173.7-68.588000110.9I342 H343 R344 F351 D373 A374I342-W349 HydrophobicContact CG2-CE3 3.91Å; I342-W349 HydrophobicContact CG2-CZ3 3.91Å; H343-W349 CarbonylContact O-C 3.52Å; H343-W349 WeakPolarHBondContact O-CA 3.48Å; R344-W349 HydrophobicContact CB-CD2 4.07Å; R344-W349 HydrophobicContact CB-CE3 3.93Å; R344-W349 HydrophobicContact CB-CZ3 4.19Å; R344-W349 VanDerWaalsContact CD-CE2 3.48Å; R344-W349 VanDerWaalsContact CD-CZ2 3.48Å; R344-W349 HydrophobicContact CG-CD2 3.95Å; R344-W349 HydrophobicContact CG-CE3 4.31Å; R344-W349 HydrophobicContact CG-CG 4.33Å; R344-W349 HydrophobicContact CG-CZ2 4.37Å; W349-F351 HydrophobicContact CB-CE1 4.34Å; W349-F351 HydrophobicContact CB-CE2 3.7Å; W349-F351 HydrophobicContact CB-CZ 3.51Å; W349-F351 HydrophobicContact CD2-CZ 4.49Å; W349-F351 HydrophobicContact CE3-CE1 4.39Å; W349-F351 HydrophobicContact CG-CZ 4.14Å; W349-D373 WeakPolarHBondContact O-CA 3.47Å; W349-A374 HydrophobicContact CB-CB 4.44Å; W349-A374 PolarHBondContact N-O 3.18Å; W349-A374 PolarHBondContact O-N 2.89Å
350K97.5Very high96Very high87 Ų8778 Ų7838%0.37837%0.368SS..EExtended strand (participates in β ladder)trans-130.1131.4171.9-76-176174.1-69.90109.2H343 G372 D373H343-K350 HydrophobicContact CB-CB 4.37Å; H343-K350 PolarHBondContact N-O 3.42Å; H343-K350 PolarHBondContact O-N 2.57Å; K350-G372 WeakPolarHBondContact CA-O 3.13Å; K350-D373 WeakPolarHBondContact CE-OD1 3.36Å; K350-D373 VanDerWaalsContact CG-OD1 3.25Å; K350-D373 WeakPolarHBondContact CG-OD1 3.33Å; K350-D373 VanDerWaalsContact NZ-CG 3.33Å; K350-D373 IonicContact NZ-OD1 2.64Å; K350-D373 PolarHBondContact NZ-OD1 3.14Å; K350-D373 IonicContact NZ-OD2 3.2Å; K350-D373 PolarHBondContact NZ-OD2 2.95Å
351F97.7Very high95.5Very high61 Ų6180.3 Ų80.327%0.26838%0.381SS..EExtended strand (participates in β ladder)trans-119.7122.6-178.7-44.6-95.1000108.3I342 W349 L353 I371 G372 A374I342-F351 HydrophobicContact CD1-CB 4.06Å; I342-F351 HydrophobicContact CD1-CD1 3.91Å; I342-F351 HydrophobicContact CD1-CG 4.45Å; I342-F351 HydrophobicContact CG2-CD1 4.22Å; I342-F351 HydrophobicContact CG2-CE1 4.44Å; W349-F351 HydrophobicContact CB-CE1 4.34Å; W349-F351 HydrophobicContact CB-CE2 3.7Å; W349-F351 HydrophobicContact CB-CZ 3.51Å; W349-F351 HydrophobicContact CD2-CZ 4.49Å; W349-F351 HydrophobicContact CE3-CE1 4.39Å; W349-F351 HydrophobicContact CG-CZ 4.14Å; F351-L353 HydrophobicContact CB-CD1 4.42Å; F351-L353 HydrophobicContact CB-CD2 4.21Å; F351-L353 HydrophobicContact CB-CG 4.14Å; F351-I371 CarbonylContact O-C 3.6Å; F351-I371 VanDerWaalsContact O-CA 3.3Å; F351-I371 WeakPolarHBondContact O-CA 3.34Å; F351-G372 PolarHBondContact N-O 3.22Å; F351-G372 PolarHBondContact O-N 3.28Å; F351-A374 HydrophobicContact CE2-CB 3.7Å; F351-A374 HydrophobicContact CZ-CB 4.22Å
352H97.6Very high95Very high69 Ų6975.7 Ų75.732%0.31937%0.371SS..EExtended strand (participates in β ladder)trans-105.4113.8164.4-64.8-103.1000107.2D340 K341D340-H352 HydrophobicContact CB-CB 4.19Å; D340-H352 PolarHBondContact N-O 2.64Å; K341-H352 HydrophobicContact CB-CB 4.09Å; K341-H352 PolarHBondContact N-O 3.09Å; K341-H352 WeakPolarHBondContact O-CB 3.41Å; K341-H352 PolarHBondContact O-N 3.2Å
353L98.1Very high94.5Very high39 Ų3977.8 Ų77.820%0.20437%0.374CS..EExtended strand (participates in β ladder)trans-117.9153.8-174.3-52.6174.9000109.7Q338 I342 F351 F367 K369 A370Q338-L353 CarbonylContact O-C 3.56Å; Q338-L353 WeakPolarHBondContact O-CA 3.36Å; I342-L353 HydrophobicContact CD1-CD2 4.22Å; F351-L353 HydrophobicContact CB-CD1 4.42Å; F351-L353 HydrophobicContact CB-CD2 4.21Å; F351-L353 HydrophobicContact CB-CG 4.14Å; L353-F367 HydrophobicContact CB-CE2 3.9Å; L353-F367 HydrophobicContact CB-CZ 4.1Å; L353-K369 CarbonylContact O-C 3.55Å; L353-K369 VanDerWaalsContact O-CA 3.3Å; L353-K369 WeakPolarHBondContact O-CA 3.42Å; L353-A370 HydrophobicContact CB-CB 4.31Å; L353-A370 PolarHBondContact N-O 3.13Å; L353-A370 PolarHBondContact O-N 3.49Å
354K96.9Very high94.2Very high51 Ų5174.1 Ų74.122%0.22236%0.358CS..EExtended strand (participates in β ladder)trans-140.5164.4177.268.5178.6167.5-153.40111.6C337 Q338 D340 G356 S368C337-K354 WeakPolarHBondContact CB-O 3.44Å; Q338-K354 HydrophobicContact CB-CD 4.46Å; Q338-K354 HydrophobicContact CB-CG 3.76Å; Q338-K354 PolarHBondContact N-O 3.42Å; Q338-K354 PolarHBondContact O-N 2.97Å; Q338-K354 VanDerWaalsContact OE1-CE 3.28Å; D340-K354 VanDerWaalsContact OD1-CD 3.29Å; D340-K354 WeakPolarHBondContact OD1-CD 3.2Å; D340-K354 WeakPolarHBondContact OD1-CE 3.32Å; D340-K354 IonicContact OD1-NZ 2.69Å; D340-K354 PolarHBondContact OD1-NZ 3.12Å; K354-G356 PolarHBondContact O-N 3.45Å; K354-S368 WeakPolarHBondContact CA-O 3.45Å; K354-S368 WeakPolarHBondContact CB-O 3.36Å
355D95.2Very high93.9Very high93 Ų9371.5 Ų71.550%0.49735%0.349SS..EExtended strand (participates in β ladder)trans47.857.1168.3-50.3-36000112.7Q338 S368Q338-D355 PolarHBondContact NE2-OD2 3.15Å; D355-S368 PolarHBondContact N-O 3.27Å; D355-S368 VanDerWaalsContact N-O 3.11Å
356G94.7Very high93.7Very high0 Ų070.3 Ų70.30%034%0.337CS..EExtended strand (participates in β ladder)trans-120.5143.1-167.900000115V336 C337 K354 I366 F367V336-G356 CarbonylContact O-C 3.51Å; V336-G356 WeakPolarHBondContact O-CA 3.46Å; C337-G356 VanDerWaalsContact CB-CA 3.48Å; K354-G356 PolarHBondContact O-N 3.45Å; G356-I366 CarbonylContact O-C 3.49Å; G356-I366 VanDerWaalsContact O-CA 3.32Å; G356-I366 WeakPolarHBondContact O-CA 3.47Å; G356-F367 PolarHBondContact N-O 3.36Å; G356-F367 PolarHBondContact O-N 3.48Å
357I93.4Very high93.6Very high69 Ų6963 Ų6335%0.35431%0.305SS..EExtended strand (participates in β ladder)trans-111.8135.7171.6-52.1-179.1000107.7V336 Y365 I366V336-I357 PolarHBondContact N-O 2.81Å; V336-I357 PolarHBondContact O-N 3.47Å; I357-Y365 CarbonylContact C-O 3.58Å; I357-Y365 WeakPolarHBondContact CA-O 3.25Å; I357-I366 HydrophobicContact CG1-CG1 4.41Å
358M93.1Very high93.5Very high42 Ų4264.2 Ų64.221%0.20732%0.319CS..EExtended strand (participates in β ladder)trans-127.7122.3179.7-45-176.9-69.200109.3V334 V335 L360 D364 Y365 F367V334-M358 CarbonylContact O-C 3.56Å; V334-M358 VanDerWaalsContact O-CA 3.27Å; V334-M358 WeakPolarHBondContact O-CA 3.34Å; V335-M358 HydrophobicContact CB-CG 4.31Å; V335-M358 HydrophobicContact CG1-CG 3.94Å; V335-M358 HydrophobicContact CG2-CB 4.01Å; V335-M358 HydrophobicContact CG2-CG 3.77Å; V335-M358 HydrophobicContact CG2-SD 4.13Å; M358-L360 HydrophobicContact CB-CD1 4.07Å; M358-L360 HydrophobicContact CB-CD2 4.44Å; M358-L360 HydrophobicContact CB-CG 3.92Å; M358-L360 HydrophobicContact CE-CD1 4.11Å; M358-L360 HydrophobicContact SD-CD1 4.24Å; M358-D364 CarbonylContact O-C 3.57Å; M358-D364 WeakPolarHBondContact O-CA 3.37Å; M358-Y365 HydrophobicContact CE-CG 4.43Å; M358-Y365 PolarHBondContact N-O 2.95Å; M358-Y365 PolarHBondContact O-N 2.84Å; M358-F367 HydrophobicContact CE-CD1 3.98Å; M358-F367 HydrophobicContact CG-CD1 3.8Å; M358-F367 HydrophobicContact CG-CE1 3.6Å; M358-F367 HydrophobicContact SD-CD1 3.65Å; M358-F367 HydrophobicContact SD-CE1 3.62Å
359N90.7Very high93.5Very high48 Ų4865.6 Ų65.626%0.25733%0.325SS..EExtended strand (participates in β ladder)trans-93.1116.7161.7-167.8-79.1000107.6N333 V334 G362 R363 D364N333-N359 CarbonylContact C-O 3.54Å; N333-N359 VanDerWaalsContact CA-O 3.32Å; N333-N359 WeakPolarHBondContact CA-O 3.3Å; V334-N359 PolarHBondContact N-O 3.05Å; V334-N359 PolarHBondContact O-N 2.98Å; N359-G362 WeakPolarHBondContact OD1-CA 3.33Å; N359-R363 CarbonylContact C-O 3.57Å; N359-R363 WeakPolarHBondContact CA-O 3.3Å; N359-D364 PolarHBondContact ND2-OD1 3.45Å
360L91.1Very high93.4Very high50 Ų5063 Ų6326%0.26232%0.321SS..EExtended strand (participates in β ladder)trans-131121.4-177.4-58.1174.5000109.4N333 M358 G362 R363 Y365N333-L360 HydrophobicContact CB-CD2 4.06Å; N333-L360 WeakPolarHBondContact OD1-CA 3.44Å; M358-L360 HydrophobicContact CB-CD1 4.07Å; M358-L360 HydrophobicContact CB-CD2 4.44Å; M358-L360 HydrophobicContact CB-CG 3.92Å; M358-L360 HydrophobicContact CE-CD1 4.11Å; M358-L360 HydrophobicContact SD-CD1 4.24Å; L360-G362 PolarHBondContact O-N 3.47Å; L360-R363 PolarHBondContact N-O 3.47Å; L360-R363 PolarHBondContact O-N 3.22Å; L360-R363 VanDerWaalsContact O-N 3.1Å; L360-Y365 HydrophobicContact CB-CD2 4.11Å; L360-Y365 HydrophobicContact CB-CE2 3.98Å; L360-Y365 HydrophobicContact CD1-CD2 4.13Å; L360-Y365 HydrophobicContact CG-CD2 4.28Å
361N88Confident93.4Very high123 Ų12364.7 Ų64.766%0.65833%0.333SS*.THydrogen-bonded Turntrans52.340.5-177-48.9-105.8000111.9N333 R363N333-N361 PolarHBondContact OD1-N 3.23Å; N361-R363 PolarHBondContact O-N 3.43Å
362G85.1Confident93.3Very high38 Ų3863 Ų6339%0.39233%0.333SS..THydrogen-bonded Turntrans71.820.5-178.200000115.4A55 N359 L360A55-G362 WeakPolarHBondContact CA-O 3.5Å; N359-G362 WeakPolarHBondContact OD1-CA 3.33Å; L360-G362 PolarHBondContact O-N 3.47Å
363R87.6Confident93.3Very high113 Ų11364.8 Ų64.843%0.42635%0.345SS..EExtended strand (participates in β ladder)trans-130.4142.1173.2-75.7-164.7-69.5-162.4-8.7113.3A55 D57 N359 L360 N361 Y365A55-R363 WeakPolarHBondContact O-CA 3.42Å; D57-R363 WeakPolarHBondContact OD2-CD 3.18Å; D57-R363 IonicContact OD2-CZ 2.63Å; D57-R363 IonicContact OD2-NE 2.66Å; D57-R363 IonicContact OD2-NH1 2.78Å; D57-R363 PolarHBondContact OD2-NH1 3.48Å; N359-R363 CarbonylContact C-O 3.57Å; N359-R363 WeakPolarHBondContact CA-O 3.3Å; L360-R363 PolarHBondContact N-O 3.47Å; L360-R363 PolarHBondContact O-N 3.22Å; L360-R363 VanDerWaalsContact O-N 3.1Å; N361-R363 PolarHBondContact O-N 3.43Å; R363-Y365 HydrophobicContact CB-CE2 3.91Å; R363-Y365 VanDerWaalsContact O-CD2 3.25Å; R363-Y365 WeakPolarHBondContact O-CD2 3.25Å; R363-Y365 VanDerWaalsContact O-CE2 3.29Å; R363-Y365 WeakPolarHBondContact O-CE2 3.28Å
364D90.3Very high93.2Very high25 Ų2565 Ų6513%0.13435%0.351CS..EExtended strand (participates in β ladder)trans-86.4138.2-179.2-70.5-14.3000112V10 Y14 A55 V56 M358 N359V10-D364 HydrophobicContact CG1-CB 3.87Å; Y14-D364 VanDerWaalsContact CE2-OD2 3.27Å; Y14-D364 WeakPolarHBondContact CE2-OD2 3.2Å; Y14-D364 VanDerWaalsContact OH-CG 3.31Å; Y14-D364 PolarHBondContact OH-OD2 2.8Å; A55-D364 HydrophobicContact CB-CB 4.41Å; A55-D364 WeakPolarHBondContact CB-OD2 3.32Å; A55-D364 PolarHBondContact O-N 3.4Å; V56-D364 HydrophobicContact CG2-CB 4.2Å; M358-D364 CarbonylContact O-C 3.57Å; M358-D364 WeakPolarHBondContact O-CA 3.37Å; N359-D364 PolarHBondContact ND2-OD1 3.45Å
365Y91.3Very high93.2Very high85 Ų8568.6 Ų68.633%0.33337%0.369SS..EExtended strand (participates in β ladder)trans-134.4149.7174.9-59.3-88.7000108.8I357 M358 L360 R363I357-Y365 CarbonylContact C-O 3.58Å; I357-Y365 WeakPolarHBondContact CA-O 3.25Å; M358-Y365 HydrophobicContact CE-CG 4.43Å; M358-Y365 PolarHBondContact N-O 2.95Å; M358-Y365 PolarHBondContact O-N 2.84Å; L360-Y365 HydrophobicContact CB-CD2 4.11Å; L360-Y365 HydrophobicContact CB-CE2 3.98Å; L360-Y365 HydrophobicContact CD1-CD2 4.13Å; L360-Y365 HydrophobicContact CG-CD2 4.28Å; R363-Y365 HydrophobicContact CB-CE2 3.91Å; R363-Y365 VanDerWaalsContact O-CD2 3.25Å; R363-Y365 WeakPolarHBondContact O-CD2 3.25Å; R363-Y365 VanDerWaalsContact O-CE2 3.29Å; R363-Y365 WeakPolarHBondContact O-CE2 3.28Å
366I92.6Very high93Very high45 Ų4576.3 Ų76.323%0.23139%0.392CS..EExtended strand (participates in β ladder)trans-126.2142.1175.4-56.3158000108.6V10 L13 G356 I357V10-I366 HydrophobicContact CB-CD1 4Å; V10-I366 HydrophobicContact CG1-CD1 3.91Å; V10-I366 HydrophobicContact CG1-CG1 4.32Å; V10-I366 HydrophobicContact CG2-CD1 3.89Å; V10-I366 HydrophobicContact CG2-CG1 4.06Å; L13-I366 HydrophobicContact CB-CD1 3.92Å; L13-I366 HydrophobicContact CD2-CD1 3.52Å; L13-I366 HydrophobicContact CD2-CG1 4.42Å; L13-I366 HydrophobicContact CG-CD1 4.34Å; G356-I366 CarbonylContact O-C 3.49Å; G356-I366 VanDerWaalsContact O-CA 3.32Å; G356-I366 WeakPolarHBondContact O-CA 3.47Å; I357-I366 HydrophobicContact CG1-CG1 4.41Å
367F93.3Very high92.9Very high23 Ų2380.2 Ų80.210%0.10141%0.411CS..EExtended strand (participates in β ladder)trans-130.8140.5170.664.4-99000111.4V335 C337 L353 G356 M358 K369 A370V335-F367 HydrophobicContact CG1-CE1 3.99Å; V335-F367 HydrophobicContact CG1-CZ 4.24Å; C337-F367 HydrophobicContact CB-CE1 4.44Å; C337-F367 HydrophobicContact CB-CE2 4.05Å; C337-F367 HydrophobicContact CB-CZ 3.53Å; L353-F367 HydrophobicContact CB-CE2 3.9Å; L353-F367 HydrophobicContact CB-CZ 4.1Å; G356-F367 PolarHBondContact N-O 3.36Å; G356-F367 PolarHBondContact O-N 3.48Å; M358-F367 HydrophobicContact CE-CD1 3.98Å; M358-F367 HydrophobicContact CG-CD1 3.8Å; M358-F367 HydrophobicContact CG-CE1 3.6Å; M358-F367 HydrophobicContact SD-CD1 3.65Å; M358-F367 HydrophobicContact SD-CE1 3.62Å; F367-K369 VanDerWaalsContact CD2-C 3.5Å; F367-A370 HydrophobicContact CD1-CB 4.15Å; F367-A370 HydrophobicContact CD2-CB 3.59Å; F367-A370 HydrophobicContact CE1-CB 4.1Å; F367-A370 HydrophobicContact CE2-CB 3.55Å; F367-A370 HydrophobicContact CG-CB 3.88Å; F367-A370 HydrophobicContact CZ-CB 3.79Å
368S95.2Very high92.9Very high93 Ų9380.7 Ų80.765%0.6541%0.414SS*.EExtended strand (participates in β ladder)trans-79.4-33.8166.453.20000111.7K354 D355K354-S368 WeakPolarHBondContact CA-O 3.45Å; K354-S368 WeakPolarHBondContact CB-O 3.36Å; D355-S368 PolarHBondContact N-O 3.27Å; D355-S368 VanDerWaalsContact N-O 3.11Å
369K95.9Very high92.9Very high142 Ų14282.9 Ų82.962%0.61743%0.426SS*.EExtended strand (participates in β ladder)trans-142.9139.9171.1-66.4-174.7178.3-84.30111.1D340 L353 F367D340-K369 IonicContact OD2-NZ 2.89Å; D340-K369 PolarHBondContact OD2-NZ 3.36Å; L353-K369 CarbonylContact O-C 3.55Å; L353-K369 VanDerWaalsContact O-CA 3.3Å; L353-K369 WeakPolarHBondContact O-CA 3.42Å; F367-K369 VanDerWaalsContact CD2-C 3.5Å
370A96.3Very high93Very high28 Ų2884.9 Ų84.923%0.23144%0.436CS..EExtended strand (participates in β ladder)trans-131.1146.9169.800000110.1L353 F367L353-A370 HydrophobicContact CB-CB 4.31Å; L353-A370 PolarHBondContact N-O 3.13Å; L353-A370 PolarHBondContact O-N 3.49Å; F367-A370 HydrophobicContact CD1-CB 4.15Å; F367-A370 HydrophobicContact CD2-CB 3.59Å; F367-A370 HydrophobicContact CE1-CB 4.1Å; F367-A370 HydrophobicContact CE2-CB 3.55Å; F367-A370 HydrophobicContact CG-CB 3.88Å; F367-A370 HydrophobicContact CZ-CB 3.79Å
371I96.8Very high93.2Very high122 Ų12287.1 Ų87.163%0.62645%0.447SS*.EExtended strand (participates in β ladder)trans-125.9125.3175.1-58.4177.4000107.7F351F351-I371 CarbonylContact O-C 3.6Å; F351-I371 VanDerWaalsContact O-CA 3.3Å; F351-I371 WeakPolarHBondContact O-CA 3.34Å
372G96.4Very high93.5Very high26 Ų2684.7 Ų84.727%0.26843%0.433SS..EExtended strand (participates in β ladder)trans-118.9150.4176.600000112K350 F351K350-G372 WeakPolarHBondContact CA-O 3.13Å; F351-G372 PolarHBondContact N-O 3.22Å; F351-G372 PolarHBondContact O-N 3.28Å
373D97.1Very high94.1Very high106 Ų10688.1 Ų88.157%0.56744%0.435SS*.EExtended strand (participates in β ladder)trans-124.5134.9168-83.8-89.4000107.4W349 K350W349-D373 WeakPolarHBondContact O-CA 3.47Å; K350-D373 WeakPolarHBondContact CE-OD1 3.36Å; K350-D373 VanDerWaalsContact CG-OD1 3.25Å; K350-D373 WeakPolarHBondContact CG-OD1 3.33Å; K350-D373 VanDerWaalsContact NZ-CG 3.33Å; K350-D373 IonicContact NZ-OD1 2.64Å; K350-D373 PolarHBondContact NZ-OD1 3.14Å; K350-D373 IonicContact NZ-OD2 3.2Å; K350-D373 PolarHBondContact NZ-OD2 2.95Å
374A97.1Very high94.6Very high42 Ų4286.2 Ų86.235%0.34744%0.436SS..EExtended strand (participates in β ladder)trans-139.9163.9174.200000111.7W349 F351W349-A374 HydrophobicContact CB-CB 4.44Å; W349-A374 PolarHBondContact N-O 3.18Å; W349-A374 PolarHBondContact O-N 2.89Å; F351-A374 HydrophobicContact CE2-CB 3.7Å; F351-A374 HydrophobicContact CZ-CB 4.22Å
375E96.4Very high95Very high128 Ų12891.3 Ų91.360%0.59846%0.461SS*.EExtended strand (participates in β ladder)trans-121.3140.2170.2-56.8-163.5150.100109.5N347 K348N347-E375 WeakPolarHBondContact O-CA 3.25Å; K348-E375 HydrophobicContact CG-CG 4.38Å; K348-E375 IonicContact NZ-OE1 2.57Å; K348-E375 PolarHBondContact NZ-OE1 3.43Å
376W91Very high95.3Very high255 Ų25591.8 Ų91.897%0.96647%0.473SS*.  trans-116.50178.1-17871.4000111.2N347N347-W376 WeakPolarHBondContact CB-O 3.43Å; N347-W376 PolarHBondContact O-N 3.41Å

Retrieved 376 of 376 residues in 186.9 ms (Link to these results)

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