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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 (By similarity).

AlphaFold DB , UniProt , Accession Q99PM3, Species MOUSE (Mus musculus, Mouse), Gene Gtf2a1, Length 378 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
1M35.5Very low56.6Low250 Ų25094.4 Ų94.4100%1.23257%0.567SS**  064.20-65.6-174.9-16000110.2
2A40Very low59.2Low81 Ų8195.1 Ų95.167%0.66956%0.557SS**  trans-129.93-171.500000115.8
3N46.1Very low61.6Low143 Ų14394.2 Ų94.277%0.76555%0.548SS*.THydrogen-bonded Turntrans-88.4-3.9-166.7-85.939.4000116.6
4S42.9Very low63.8Low111 Ų11191 Ų9178%0.77652%0.522SS*.THydrogen-bonded Turntrans-90.6-11.2-168.3-470000115.2
5A43.6Very low65.6Low78 Ų7888.1 Ų88.165%0.64550%0.499SS*.SBendtrans-89.1-21.6-175.700000114.1
6N50Low67.3Low114 Ų11487.2 Ų87.261%0.6150%0.501SS*.SBendtrans-92.8-8.6-173.4-67.1-12000113.8N8 T9N6-N8 PolarHBondContact O-N 3.42Å; N6-T9 PolarHBondContact O-N 3.49Å; N6-T9 PolarHBondContact O-OG1 2.87Å
7T54.2Low69Low92 Ų9285.8 Ų85.856%0.56449%0.494SS*.THydrogen-bonded Turntrans-72.6-16.8-174.857.10000113.2
8N60.4Low70.5Confident80 Ų8081.1 Ų81.143%0.42847%0.467SS..THydrogen-bonded Turntrans-101-7.4179.3-107.7-76.8000114.5N6 K12N6-N8 PolarHBondContact O-N 3.42Å; N8-K12 VanDerWaalsContact O-CG 3.31Å; N8-K12 WeakPolarHBondContact O-CG 3.45Å
9T78.5Confident71.8Confident68 Ų6881.2 Ų81.242%0.41746%0.462SS..Hα-helixtrans-79.2-40.5-176.950.50000112N6 K12 L13N6-T9 PolarHBondContact O-N 3.49Å; N6-T9 PolarHBondContact O-OG1 2.87Å; T9-K12 PolarHBondContact O-N 3.44Å; T9-L13 PolarHBondContact O-N 3.49Å
10V85.6Confident73Confident14 Ų1483 Ų839%0.08547%0.471CS..Hα-helixtrans-63.5-48-178.6179.70000112.5K12 L13 Y14 D366 I368V10-K12 VanDerWaalsContact C-N 3.29Å; V10-K12 PolarHBondContact O-N 3.18Å; V10-L13 PolarHBondContact O-N 3.49Å; V10-Y14 HydrophobicContact CG1-CD2 3.73Å; V10-Y14 HydrophobicContact CG1-CE2 3.36Å; V10-Y14 WeakPolarHBondContact O-CD2 3.46Å; V10-Y14 PolarHBondContact O-N 3.24Å; V10-D366 HydrophobicContact CG1-CB 4.08Å; V10-I368 HydrophobicContact CG2-CD1 4.26Å; V10-I368 HydrophobicContact CG2-CG1 4.11Å
11P86.1Confident74.2Confident7 Ų782 Ų825%0.04547%0.466CS..Hα-helixtrans-58.1-40174-1723.4000113.5Y14 R15 V56 F59P11-Y14 PolarHBondContact O-N 3.39Å; P11-R15 VanDerWaalsContact O-CG 3.31Å; P11-R15 WeakPolarHBondContact O-CG 3.47Å; P11-R15 PolarHBondContact O-N 3.41Å; P11-V56 HydrophobicContact CB-CG1 3.51Å; P11-V56 HydrophobicContact CG-CG1 3.44Å; P11-V56 VanDerWaalsContact CG-CG1 3.44Å; P11-F59 HydrophobicContact CB-CD2 4.34Å
12K87.2Confident77.1Confident103 Ų10370.2 Ų70.245%0.44841%0.408SS..Hα-helixtrans-67.6-37.6178.3-69.6-176.7-173.5-156.50112N8 T9 V10 R15 S16 E62N8-K12 VanDerWaalsContact O-CG 3.31Å; N8-K12 WeakPolarHBondContact O-CG 3.45Å; T9-K12 PolarHBondContact O-N 3.44Å; V10-K12 VanDerWaalsContact C-N 3.29Å; V10-K12 PolarHBondContact O-N 3.18Å; K12-R15 WeakPolarHBondContact O-CB 3.05Å; K12-R15 PolarHBondContact O-N 2.99Å; K12-S16 PolarHBondContact O-N 3.09Å; K12-E62 WeakPolarHBondContact CE-OE2 3.5Å; K12-E62 VanDerWaalsContact NZ-CD 3.32Å; K12-E62 IonicContact NZ-OE1 3.7Å; K12-E62 PolarHBondContact NZ-OE1 3.06Å; K12-E62 IonicContact NZ-OE2 3.7Å; K12-E62 PolarHBondContact NZ-OE2 3.27Å
13L90.9Very high79.8Confident83 Ų8370.6 Ų70.644%0.43540%0.399SS..Hα-helixtrans-62.5-48.9174.3-179.762.4000110.7T9 V10 R15 S16 V17 I368T9-L13 PolarHBondContact O-N 3.49Å; V10-L13 PolarHBondContact O-N 3.49Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 2.88Å; L13-S16 WeakPolarHBondContact O-CB 3.47Å; L13-S16 PolarHBondContact O-N 3.04Å; L13-S16 VanDerWaalsContact O-N 3.07Å; L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 3.5Å; L13-I368 HydrophobicContact CD2-CD1 3.64Å
14Y92.7Very high82.2Confident50 Ų5069.5 Ų69.520%0.19639%0.393CS..Hα-helixtrans-57-45.4175.6-76.7-60.3000111.6V10 P11 S16 V17 I18 L50 V56 D366V10-Y14 HydrophobicContact CG1-CD2 3.73Å; V10-Y14 HydrophobicContact CG1-CE2 3.36Å; V10-Y14 WeakPolarHBondContact O-CD2 3.46Å; V10-Y14 PolarHBondContact O-N 3.24Å; P11-Y14 PolarHBondContact O-N 3.39Å; Y14-S16 VanDerWaalsContact C-N 3.3Å; Y14-S16 PolarHBondContact O-N 2.78Å; Y14-V17 PolarHBondContact O-N 3.35Å; Y14-V17 VanDerWaalsContact O-N 3.14Å; Y14-I18 VanDerWaalsContact O-CG1 3.31Å; Y14-I18 WeakPolarHBondContact O-CG1 3.42Å; Y14-I18 PolarHBondContact O-N 3.44Å; Y14-L50 HydrophobicContact CD1-CD2 4.34Å; Y14-L50 HydrophobicContact CG-CD2 4.03Å; Y14-V56 HydrophobicContact CD2-CB 4.47Å; Y14-V56 HydrophobicContact CD2-CG1 4.2Å; Y14-V56 HydrophobicContact CD2-CG2 3.44Å; Y14-V56 VanDerWaalsContact CD2-CG2 3.44Å; Y14-V56 HydrophobicContact CE2-CG2 3.26Å; Y14-D366 HydrophobicContact CE2-CB 4.22Å; Y14-D366 WeakPolarHBondContact CE2-OD2 3.27Å; Y14-D366 VanDerWaalsContact CZ-OD2 3.32Å; Y14-D366 VanDerWaalsContact OH-CG 3.32Å; Y14-D366 PolarHBondContact OH-OD2 3.21Å
15R90.1Very high84.8Confident47 Ų4765.7 Ų65.718%0.17737%0.365CS..Hα-helixtrans-54.7-45.9174.1-71.8-72.1176-165.6-3.4112.2P11 K12 L13 V17 I18 E19 E47 F59 H60P11-R15 VanDerWaalsContact O-CG 3.31Å; P11-R15 WeakPolarHBondContact O-CG 3.47Å; P11-R15 PolarHBondContact O-N 3.41Å; K12-R15 WeakPolarHBondContact O-CB 3.05Å; K12-R15 PolarHBondContact O-N 2.99Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 2.88Å; R15-V17 VanDerWaalsContact C-N 3.34Å; R15-V17 PolarHBondContact O-N 3.46Å; R15-I18 PolarHBondContact O-N 3.48Å; R15-E19 WeakPolarHBondContact O-CG 3.3Å; R15-E19 PolarHBondContact O-N 3.23Å; R15-E47 IonicContact CZ-OE2 2.9Å; R15-E47 IonicContact NH1-OE1 2.81Å; R15-E47 PolarHBondContact NH1-OE1 2.9Å; R15-E47 IonicContact NH1-OE2 2.86Å; R15-E47 PolarHBondContact NH1-OE2 2.86Å; R15-E47 IonicContact NH2-OE2 2.75Å; R15-F59 HydrophobicContact CB-CE2 4.43Å; R15-F59 VanDerWaalsContact CD-CZ 3.49Å; R15-F59 HydrophobicContact CG-CD2 4.16Å; R15-F59 HydrophobicContact CG-CE2 3.56Å; R15-F59 HydrophobicContact CG-CZ 3.91Å; R15-F59 VanDerWaalsContact CZ-CZ 3.45Å; R15-F59 VanDerWaalsContact CZ-O 3.26Å; R15-F59 VanDerWaalsContact NE-CZ 3.33Å; R15-F59 PolarHBondContact NE-O 3.36Å; R15-F59 VanDerWaalsContact NH1-CE1 3.34Å; R15-F59 PolarHBondContact NH2-O 3.49Å; R15-H60 PolarHBondContact NH2-CE1 3.18Å; R15-H60 PolarHBondContact NH2-ND1 3.21Å
16S93.5Very high87.3Confident74 Ų7466 Ų6652%0.51735%0.349SS..Hα-helixtrans-60.6-43.9177.4-167.50000111.8K12 L13 Y14 I18 E19 D20K12-S16 PolarHBondContact O-N 3.09Å; L13-S16 WeakPolarHBondContact O-CB 3.47Å; L13-S16 PolarHBondContact O-N 3.04Å; L13-S16 VanDerWaalsContact O-N 3.07Å; Y14-S16 VanDerWaalsContact C-N 3.3Å; Y14-S16 PolarHBondContact O-N 2.78Å; S16-I18 VanDerWaalsContact C-N 3.32Å; S16-I18 PolarHBondContact O-N 3.28Å; S16-E19 PolarHBondContact O-N 3.47Å; S16-D20 WeakPolarHBondContact O-CB 3.44Å; S16-D20 PolarHBondContact O-N 3.4Å
17V95.8Very high89.4Confident64 Ų6465.5 Ų65.539%0.38835%0.347SS..Hα-helixtrans-64.1-38.81771760000110.8L13 Y14 R15 D20 V21 W46L13-V17 WeakPolarHBondContact O-CG2 3.35Å; L13-V17 PolarHBondContact O-N 3.5Å; Y14-V17 PolarHBondContact O-N 3.35Å; Y14-V17 VanDerWaalsContact O-N 3.14Å; R15-V17 VanDerWaalsContact C-N 3.34Å; R15-V17 PolarHBondContact O-N 3.46Å; V17-D20 PolarHBondContact O-N 3.3Å; V17-V21 HydrophobicContact CG1-CG2 4.19Å; V17-V21 WeakPolarHBondContact O-CB 3.38Å; V17-V21 VanDerWaalsContact O-CG2 3.24Å; V17-V21 WeakPolarHBondContact O-CG2 3.2Å; V17-V21 PolarHBondContact O-N 3.27Å; V17-W46 HydrophobicContact CG1-CH2 4.33Å
18I95.5Very high91.4Very high1 Ų166.1 Ų66.11%0.00535%0.346CS..Hα-helixtrans-60.7-50.4175.4-60.6-164.5000111.1Y14 R15 S16 D20 V21 I22 K43 W46 E47 F59Y14-I18 VanDerWaalsContact O-CG1 3.31Å; Y14-I18 WeakPolarHBondContact O-CG1 3.42Å; Y14-I18 PolarHBondContact O-N 3.44Å; R15-I18 PolarHBondContact O-N 3.48Å; S16-I18 VanDerWaalsContact C-N 3.32Å; S16-I18 PolarHBondContact O-N 3.28Å; I18-D20 VanDerWaalsContact C-N 3.33Å; I18-D20 PolarHBondContact O-N 3.48Å; I18-V21 PolarHBondContact O-N 2.9Å; I18-I22 HydrophobicContact CG2-CG1 4.17Å; I18-I22 WeakPolarHBondContact O-CB 3.26Å; I18-I22 WeakPolarHBondContact O-CG1 3.21Å; I18-I22 PolarHBondContact O-N 3.37Å; I18-K43 HydrophobicContact CG2-CG 3.9Å; I18-W46 HydrophobicContact CB-CE3 4.04Å; I18-W46 HydrophobicContact CB-CH2 4.04Å; I18-W46 HydrophobicContact CB-CZ3 3.64Å; I18-W46 HydrophobicContact CD1-CD2 3.89Å; I18-W46 HydrophobicContact CD1-CE3 3.86Å; I18-W46 HydrophobicContact CD1-CG 4.49Å; I18-W46 HydrophobicContact CD1-CH2 4.45Å; I18-W46 HydrophobicContact CD1-CZ2 4.42Å; I18-W46 HydrophobicContact CD1-CZ3 4.2Å; I18-W46 HydrophobicContact CG1-CD2 3.98Å; I18-W46 HydrophobicContact CG1-CE3 3.63Å; I18-W46 HydrophobicContact CG1-CH2 3.51Å; I18-W46 HydrophobicContact CG1-CZ2 3.81Å; I18-W46 HydrophobicContact CG1-CZ3 3.44Å; I18-W46 VanDerWaalsContact CG1-CZ3 3.44Å; I18-W46 HydrophobicContact CG2-CE3 3.72Å; I18-W46 HydrophobicContact CG2-CZ3 3.69Å; I18-E47 HydrophobicContact CD1-CG 3.61Å; I18-F59 HydrophobicContact CD1-CE1 3.88Å; I18-F59 HydrophobicContact CD1-CZ 3.5Å; I18-F59 VanDerWaalsContact CD1-CZ 3.5Å; I18-F59 HydrophobicContact CG1-CZ 4.36Å
19E95Very high93.1Very high82 Ų8264.7 Ų64.738%0.38334%0.336SS..Hα-helixtrans-62.2-42.3179.6-67-61.7146.800111.4R15 S16 I22 N23 K43R15-E19 WeakPolarHBondContact O-CG 3.3Å; R15-E19 PolarHBondContact O-N 3.23Å; S16-E19 PolarHBondContact O-N 3.47Å; E19-I22 PolarHBondContact O-N 2.93Å; E19-N23 WeakPolarHBondContact O-CB 3.41Å; E19-N23 PolarHBondContact O-N 3.1Å; E19-N23 PolarHBondContact O-ND2 3.25Å; E19-K43 WeakPolarHBondContact OE1-CE 3.36Å; E19-K43 IonicContact OE1-NZ 2.67Å; E19-K43 PolarHBondContact OE1-NZ 2.92Å
20D97.3Very high93.8Very high117 Ų11767.3 Ų67.363%0.62635%0.347SS*.Hα-helixtrans-62.1-50.5179.2-158.218.6000111.4S16 V17 I18 I22 N23 D24S16-D20 WeakPolarHBondContact O-CB 3.44Å; S16-D20 PolarHBondContact O-N 3.4Å; V17-D20 PolarHBondContact O-N 3.3Å; I18-D20 VanDerWaalsContact C-N 3.33Å; I18-D20 PolarHBondContact O-N 3.48Å; D20-I22 PolarHBondContact O-N 2.87Å; D20-N23 PolarHBondContact O-N 2.89Å; D20-D24 WeakPolarHBondContact O-CB 3.31Å; D20-D24 PolarHBondContact O-N 3.01Å
21V97.6Very high94.3Very high62 Ų6273.6 Ų73.638%0.37638%0.38SS..Hα-helixtrans-59.7-44.8177.3171.20000111.5V17 I18 N23 D24 V25 W46V17-V21 HydrophobicContact CG1-CG2 4.19Å; V17-V21 WeakPolarHBondContact O-CB 3.38Å; V17-V21 VanDerWaalsContact O-CG2 3.24Å; V17-V21 WeakPolarHBondContact O-CG2 3.2Å; V17-V21 PolarHBondContact O-N 3.27Å; I18-V21 PolarHBondContact O-N 2.9Å; V21-N23 VanDerWaalsContact C-N 3.3Å; V21-N23 PolarHBondContact O-N 3.36Å; V21-D24 PolarHBondContact O-N 3.37Å; V21-V25 HydrophobicContact CG1-CG1 4.34Å; V21-V25 WeakPolarHBondContact O-CG1 3.33Å; V21-V25 VanDerWaalsContact O-CG2 3.26Å; V21-V25 WeakPolarHBondContact O-CG2 3.41Å; V21-V25 PolarHBondContact O-N 2.92Å; V21-W46 HydrophobicContact CB-CH2 4.36Å; V21-W46 HydrophobicContact CB-CZ3 4.21Å; V21-W46 HydrophobicContact CG1-CZ3 4.31Å; V21-W46 HydrophobicContact CG2-CH2 4.31Å
22I96.7Very high94.7Very high4 Ų479.7 Ų79.72%0.02141%0.412CS..Hα-helixtrans-65.5-34.9-179.6-69-65.7000111.7I18 E19 D20 R26 L39 K43I18-I22 HydrophobicContact CG2-CG1 4.17Å; I18-I22 WeakPolarHBondContact O-CB 3.26Å; I18-I22 WeakPolarHBondContact O-CG1 3.21Å; I18-I22 PolarHBondContact O-N 3.37Å; E19-I22 PolarHBondContact O-N 2.93Å; D20-I22 PolarHBondContact O-N 2.87Å; I22-R26 PolarHBondContact O-N 3.39Å; I22-L39 HydrophobicContact CD1-CD1 3.61Å; I22-L39 HydrophobicContact CD1-CG 4.2Å; I22-L39 HydrophobicContact CG2-CD1 4.44Å; I22-L39 HydrophobicContact CG2-CD2 4.23Å; I22-L39 HydrophobicContact CG2-CG 4.17Å; I22-K43 HydrophobicContact CD1-CB 3.79Å; I22-K43 HydrophobicContact CD1-CG 4.32Å; I22-K43 HydrophobicContact CG1-CB 4.13Å; I22-K43 HydrophobicContact CG1-CD 4.24Å; I22-K43 HydrophobicContact CG1-CG 4.09Å
23N95.9Very high95Very high88 Ų8878 Ų7847%0.47142%0.424SS..Hα-helixtrans-73.3-40.4176.2-74.8-59.4000112E19 D20 V21 R26E19-N23 WeakPolarHBondContact O-CB 3.41Å; E19-N23 PolarHBondContact O-N 3.1Å; E19-N23 PolarHBondContact O-ND2 3.25Å; D20-N23 PolarHBondContact O-N 2.89Å; V21-N23 VanDerWaalsContact C-N 3.3Å; V21-N23 PolarHBondContact O-N 3.36Å; N23-R26 VanDerWaalsContact O-CB 3.3Å; N23-R26 WeakPolarHBondContact O-CB 3.45Å; N23-R26 PolarHBondContact O-N 3.35Å
24D97.2Very high95.3Very high121 Ų12176.1 Ų76.165%0.64742%0.416SS*.Hα-helixtrans-68-43.1-179.1-168.751.5000112.4D20 V21 R26D20-D24 WeakPolarHBondContact O-CB 3.31Å; D20-D24 PolarHBondContact O-N 3.01Å; V21-D24 PolarHBondContact O-N 3.37Å; D24-R26 VanDerWaalsContact C-N 3.27Å; D24-R26 PolarHBondContact O-N 2.67Å
25V97Very high95.3Very high31 Ų3178.7 Ų78.719%0.18843%0.433CS..Hα-helixtrans-79.7-7-179.9-53.10000113.8V21 D27 I28 F29 L39V21-V25 HydrophobicContact CG1-CG1 4.34Å; V21-V25 WeakPolarHBondContact O-CG1 3.33Å; V21-V25 VanDerWaalsContact O-CG2 3.26Å; V21-V25 WeakPolarHBondContact O-CG2 3.41Å; V21-V25 PolarHBondContact O-N 2.92Å; V25-D27 VanDerWaalsContact C-N 3.34Å; V25-D27 PolarHBondContact O-N 3.43Å; V25-I28 HydrophobicContact CB-CD1 4.49Å; V25-I28 HydrophobicContact CG1-CD1 4.49Å; V25-I28 WeakPolarHBondContact O-CB 3.24Å; V25-I28 PolarHBondContact O-N 3.2Å; V25-F29 HydrophobicContact CB-CD2 4.25Å; V25-F29 HydrophobicContact CB-CE2 4.28Å; V25-F29 HydrophobicContact CG2-CD2 4.18Å; V25-F29 HydrophobicContact CG2-CE2 4.06Å; V25-F29 VanDerWaalsContact O-CD2 3.27Å; V25-F29 WeakPolarHBondContact O-CD2 3.46Å; V25-F29 PolarHBondContact O-N 2.99Å; V25-L39 HydrophobicContact CG2-CD1 3.53Å
26R95.4Very high95.5Very high83 Ų8381.3 Ų81.331%0.31345%0.447SS..Hα-helixtrans-57.1-47-178.3176.5-175.3-71.2-80.7-4.1112I22 N23 D24 I28 F29 L30 E36 L39I22-R26 PolarHBondContact O-N 3.39Å; N23-R26 VanDerWaalsContact O-CB 3.3Å; N23-R26 WeakPolarHBondContact O-CB 3.45Å; N23-R26 PolarHBondContact O-N 3.35Å; D24-R26 VanDerWaalsContact C-N 3.27Å; D24-R26 PolarHBondContact O-N 2.67Å; R26-I28 VanDerWaalsContact C-N 3.31Å; R26-I28 PolarHBondContact O-N 2.92Å; R26-F29 PolarHBondContact O-N 3.05Å; R26-L30 PolarHBondContact O-N 3.16Å; R26-E36 IonicContact CZ-OE1 3.48Å; R26-E36 IonicContact NH1-OE1 3.87Å; R26-E36 PolarHBondContact NH1-OE1 3.48Å; R26-E36 IonicContact NH1-OE2 2.76Å; R26-E36 PolarHBondContact NH1-OE2 2.84Å; R26-E36 IonicContact NH2-OE1 3.46Å; R26-E36 PolarHBondContact NH2-OE1 2.7Å; R26-L39 HydrophobicContact CB-CD2 4.08Å; R26-L39 HydrophobicContact CG-CD2 4.42Å
27D94.9Very high95.5Very high104 Ų10484.7 Ų84.756%0.55646%0.455SS*.Hα-helixtrans-68.8-34.7-178.4-69.2-18.5000110.7V25 F29 L30 D31V25-D27 VanDerWaalsContact C-N 3.34Å; V25-D27 PolarHBondContact O-N 3.43Å; D27-F29 PolarHBondContact O-N 3.24Å; D27-L30 WeakPolarHBondContact O-CB 3.4Å; D27-L30 PolarHBondContact O-N 2.83Å; D27-D31 WeakPolarHBondContact O-CB 3.17Å; D27-D31 PolarHBondContact O-N 2.98Å
28I96.5Very high95.5Very high106 Ų10685 Ų8554%0.54446%0.456SS..Hα-helixtrans-64.1-42.7175.8-51.1176000111.1V25 R26 L30 D31 D32V25-I28 HydrophobicContact CB-CD1 4.49Å; V25-I28 HydrophobicContact CG1-CD1 4.49Å; V25-I28 WeakPolarHBondContact O-CB 3.24Å; V25-I28 PolarHBondContact O-N 3.2Å; R26-I28 VanDerWaalsContact C-N 3.31Å; R26-I28 PolarHBondContact O-N 2.92Å; I28-L30 VanDerWaalsContact C-N 3.33Å; I28-D31 PolarHBondContact O-N 3.4Å; I28-D32 PolarHBondContact O-N 3.04Å
29F95.9Very high95.5Very high50 Ų5085.1 Ų85.122%0.21946%0.457CS..Hα-helixtrans-65.8-38.7176-87.2-122.2000111.4V25 R26 D27 D32 G33 V34 V38 L39 L42V25-F29 HydrophobicContact CB-CD2 4.25Å; V25-F29 HydrophobicContact CB-CE2 4.28Å; V25-F29 HydrophobicContact CG2-CD2 4.18Å; V25-F29 HydrophobicContact CG2-CE2 4.06Å; V25-F29 VanDerWaalsContact O-CD2 3.27Å; V25-F29 WeakPolarHBondContact O-CD2 3.46Å; V25-F29 PolarHBondContact O-N 2.99Å; R26-F29 PolarHBondContact O-N 3.05Å; D27-F29 PolarHBondContact O-N 3.24Å; F29-D32 PolarHBondContact O-N 2.88Å; F29-G33 PolarHBondContact O-N 3.41Å; F29-V34 HydrophobicContact CB-CB 4.32Å; F29-V34 HydrophobicContact CD1-CB 3.97Å; F29-V34 HydrophobicContact CD1-CG1 3.62Å; F29-V34 HydrophobicContact CE1-CG1 4.11Å; F29-V34 HydrophobicContact CG-CB 4.45Å; F29-V34 WeakPolarHBondContact O-CB 3.46Å; F29-V34 PolarHBondContact O-N 2.84Å; F29-V38 HydrophobicContact CE1-CG1 4.3Å; F29-L39 HydrophobicContact CD1-CB 4Å; F29-L39 HydrophobicContact CD1-CD1 4.4Å; F29-L39 HydrophobicContact CD2-CD1 4.48Å; F29-L39 HydrophobicContact CE1-CB 4.24Å; F29-L39 HydrophobicContact CE1-CD1 4.28Å; F29-L39 HydrophobicContact CE2-CD1 4.35Å; F29-L39 HydrophobicContact CZ-CD1 4.25Å; F29-L42 HydrophobicContact CZ-CD2 4.12Å
30L93.9Very high95.5Very high123 Ų12385.3 Ų85.364%0.64446%0.459SS*.Hα-helixtrans-65.8-41.3177.4-174.164.8000111.8R26 D27 I28 D32 G33R26-L30 PolarHBondContact O-N 3.16Å; D27-L30 WeakPolarHBondContact O-CB 3.4Å; D27-L30 PolarHBondContact O-N 2.83Å; I28-L30 VanDerWaalsContact C-N 3.33Å; L30-D32 VanDerWaalsContact C-N 3.34Å; L30-D32 PolarHBondContact O-N 3.34Å; L30-G33 PolarHBondContact O-N 3.22Å
31D95.3Very high95.3Very high145 Ų14585.1 Ų85.178%0.77546%0.455SS*.Hα-helixtrans-65-35.7178.6-81.9-0.4000112.6D27 I28 G33D27-D31 WeakPolarHBondContact O-CB 3.17Å; D27-D31 PolarHBondContact O-N 2.98Å; I28-D31 PolarHBondContact O-N 3.4Å; D31-G33 PolarHBondContact O-N 3.37Å
32D95.5Very high95.3Very high136 Ų13686.2 Ų86.273%0.72746%0.458SS*.THydrogen-bonded Turntrans-80.7-1.5174.4-156.838.5000112.8I28 F29 L30 V34I28-D32 PolarHBondContact O-N 3.04Å; F29-D32 PolarHBondContact O-N 2.88Å; L30-D32 VanDerWaalsContact C-N 3.34Å; L30-D32 PolarHBondContact O-N 3.34Å; D32-V34 VanDerWaalsContact C-N 3.31Å; D32-V34 HydrophobicContact CB-CG2 4.14Å; D32-V34 PolarHBondContact O-N 3.44Å
33G93.6Very high95.2Very high67 Ų6787.4 Ų87.469%0.69146%0.463SS*.THydrogen-bonded Turntrans71.523.3-179.700000114F29 L30 D31F29-G33 PolarHBondContact O-N 3.41Å; L30-G33 PolarHBondContact O-N 3.22Å; D31-G33 PolarHBondContact O-N 3.37Å
34V95.8Very high95.1Very high44 Ų4487.1 Ų87.127%0.26746%0.464SS..  trans-82.6132177.8-178.20000109.8F29 D32 V38F29-V34 HydrophobicContact CB-CB 4.32Å; F29-V34 HydrophobicContact CD1-CB 3.97Å; F29-V34 HydrophobicContact CD1-CG1 3.62Å; F29-V34 HydrophobicContact CE1-CG1 4.11Å; F29-V34 HydrophobicContact CG-CB 4.45Å; F29-V34 WeakPolarHBondContact O-CB 3.46Å; F29-V34 PolarHBondContact O-N 2.84Å; D32-V34 VanDerWaalsContact C-N 3.31Å; D32-V34 HydrophobicContact CB-CG2 4.14Å; D32-V34 PolarHBondContact O-N 3.44Å; V34-V38 HydrophobicContact CG1-CB 3.72Å; V34-V38 HydrophobicContact CG1-CG1 4.01Å; V34-V38 HydrophobicContact CG1-CG2 3.88Å
35D93.5Very high95Very high104 Ų10485.5 Ų85.556%0.55646%0.455SS*.  trans-63.9138.8179.5-167.1-75.1000111.7Q37 V38D35-Q37 PolarHBondContact O-N 3.47Å; D35-Q37 VanDerWaalsContact O-N 3.09Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.37Å; D35-Q37 PolarHBondContact OD1-N 3Å; D35-V38 WeakPolarHBondContact O-CB 2.99Å; D35-V38 PolarHBondContact O-N 3.43Å
36E93.9Very high94.9Very high102 Ų10287.9 Ų87.948%0.47746%0.461SS..Hα-helixtrans-57.6-25.6178.6-175.2175.8176.800112.6R26 V38 L39 M40R26-E36 IonicContact CZ-OE1 3.48Å; R26-E36 IonicContact NH1-OE1 3.87Å; R26-E36 PolarHBondContact NH1-OE1 3.48Å; R26-E36 IonicContact NH1-OE2 2.76Å; R26-E36 PolarHBondContact NH1-OE2 2.84Å; R26-E36 IonicContact NH2-OE1 3.46Å; R26-E36 PolarHBondContact NH2-OE1 2.7Å; E36-V38 PolarHBondContact O-N 2.96Å; E36-L39 WeakPolarHBondContact O-CB 3.42Å; E36-L39 PolarHBondContact O-N 3.42Å; E36-L39 VanDerWaalsContact O-N 3.1Å; E36-M40 PolarHBondContact O-N 2.92Å
37Q93.7Very high94.7Very high144 Ų14485.1 Ų85.167%0.67345%0.451SS*.Hα-helixtrans-57.5-35.1172.9-173.7175.6-11.900112.1D35 M40 E41D35-Q37 PolarHBondContact O-N 3.47Å; D35-Q37 VanDerWaalsContact O-N 3.09Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.37Å; D35-Q37 PolarHBondContact OD1-N 3Å; Q37-M40 PolarHBondContact O-N 2.73Å; Q37-E41 WeakPolarHBondContact O-CB 3.44Å; Q37-E41 PolarHBondContact O-N 2.99Å
38V95.6Very high94.4Very high70 Ų7082.9 Ų82.942%0.42444%0.439SS..Hα-helixtrans-68-40.9176.7-176.50000110.5F29 V34 D35 E36 M40 E41 L42F29-V38 HydrophobicContact CE1-CG1 4.3Å; V34-V38 HydrophobicContact CG1-CB 3.72Å; V34-V38 HydrophobicContact CG1-CG1 4.01Å; V34-V38 HydrophobicContact CG1-CG2 3.88Å; D35-V38 WeakPolarHBondContact O-CB 2.99Å; D35-V38 PolarHBondContact O-N 3.43Å; E36-V38 PolarHBondContact O-N 2.96Å; V38-M40 VanDerWaalsContact C-N 3.32Å; V38-M40 PolarHBondContact O-N 3.5Å; V38-E41 PolarHBondContact O-N 2.95Å; V38-L42 WeakPolarHBondContact O-CB 3.37Å; V38-L42 PolarHBondContact O-N 3.47Å
39L95.5Very high94.2Very high4 Ų484.3 Ų84.32%0.02144%0.442CS..Hα-helixtrans-63.6-39.1175.3-177.760.1000111.5I22 V25 R26 F29 E36 L42 K43I22-L39 HydrophobicContact CD1-CD1 3.61Å; I22-L39 HydrophobicContact CD1-CG 4.2Å; I22-L39 HydrophobicContact CG2-CD1 4.44Å; I22-L39 HydrophobicContact CG2-CD2 4.23Å; I22-L39 HydrophobicContact CG2-CG 4.17Å; V25-L39 HydrophobicContact CG2-CD1 3.53Å; R26-L39 HydrophobicContact CB-CD2 4.08Å; R26-L39 HydrophobicContact CG-CD2 4.42Å; F29-L39 HydrophobicContact CD1-CB 4Å; F29-L39 HydrophobicContact CD1-CD1 4.4Å; F29-L39 HydrophobicContact CD2-CD1 4.48Å; F29-L39 HydrophobicContact CE1-CB 4.24Å; F29-L39 HydrophobicContact CE1-CD1 4.28Å; F29-L39 HydrophobicContact CE2-CD1 4.35Å; F29-L39 HydrophobicContact CZ-CD1 4.25Å; E36-L39 WeakPolarHBondContact O-CB 3.42Å; E36-L39 PolarHBondContact O-N 3.42Å; E36-L39 VanDerWaalsContact O-N 3.1Å; L39-L42 HydrophobicContact CD1-CD2 4.34Å; L39-L42 WeakPolarHBondContact O-CB 3.41Å; L39-L42 PolarHBondContact O-N 2.88Å; L39-K43 PolarHBondContact O-N 3.21Å
40M94.3Very high94Very high87 Ų8783 Ų8343%0.42944%0.437SS..Hα-helixtrans-70-35.7175.8-165.557.558.700112.7E36 Q37 V38 K43 T44E36-M40 PolarHBondContact O-N 2.92Å; Q37-M40 PolarHBondContact O-N 2.73Å; V38-M40 VanDerWaalsContact C-N 3.32Å; V38-M40 PolarHBondContact O-N 3.5Å; M40-K43 PolarHBondContact O-N 3.36Å; M40-K43 HydrophobicContact SD-CD 3.99Å; M40-T44 WeakPolarHBondContact O-CB 3.48Å; M40-T44 PolarHBondContact O-N 3.02Å; M40-T44 PolarHBondContact O-OG1 3.35Å
41E94.8Very high93.3Very high113 Ų11379.9 Ų79.953%0.52842%0.42SS..Hα-helixtrans-66.2-42.4172.6-174.2171.7-17500111.1Q37 V38 K43 T44 L45Q37-E41 WeakPolarHBondContact O-CB 3.44Å; Q37-E41 PolarHBondContact O-N 2.99Å; V38-E41 PolarHBondContact O-N 2.95Å; E41-K43 PolarHBondContact O-N 3.17Å; E41-T44 PolarHBondContact O-N 3.41Å; E41-L45 HydrophobicContact CG-CD1 4Å; E41-L45 HydrophobicContact CG-CG 4.29Å; E41-L45 WeakPolarHBondContact O-CB 3.28Å; E41-L45 WeakPolarHBondContact O-CG 3.26Å; E41-L45 PolarHBondContact O-N 2.9Å
42L96.3Very high92.7Very high84 Ų8478.8 Ų78.844%0.4441%0.41SS..Hα-helixtrans-55.9-50.1173172.663.6000111F29 V38 L39 T44 L45 W46F29-L42 HydrophobicContact CZ-CD2 4.12Å; V38-L42 WeakPolarHBondContact O-CB 3.37Å; V38-L42 PolarHBondContact O-N 3.47Å; L39-L42 HydrophobicContact CD1-CD2 4.34Å; L39-L42 WeakPolarHBondContact O-CB 3.41Å; L39-L42 PolarHBondContact O-N 2.88Å; L42-T44 PolarHBondContact O-N 2.94Å; L42-L45 PolarHBondContact O-N 2.84Å; L42-W46 VanDerWaalsContact O-CB 3.31Å; L42-W46 WeakPolarHBondContact O-CB 3.47Å; L42-W46 PolarHBondContact O-N 2.86Å
43K94.9Very high92.1Very high30 Ų3075.3 Ų75.313%0.1340%0.396CS..Hα-helixtrans-53.4-53.6174.8-172.9-178.9-162.3-79.90110.7I18 E19 I22 L39 M40 E41 L45 W46 E47I18-K43 HydrophobicContact CG2-CG 3.9Å; E19-K43 WeakPolarHBondContact OE1-CE 3.36Å; E19-K43 IonicContact OE1-NZ 2.67Å; E19-K43 PolarHBondContact OE1-NZ 2.92Å; I22-K43 HydrophobicContact CD1-CB 3.79Å; I22-K43 HydrophobicContact CD1-CG 4.32Å; I22-K43 HydrophobicContact CG1-CB 4.13Å; I22-K43 HydrophobicContact CG1-CD 4.24Å; I22-K43 HydrophobicContact CG1-CG 4.09Å; L39-K43 PolarHBondContact O-N 3.21Å; M40-K43 PolarHBondContact O-N 3.36Å; M40-K43 HydrophobicContact SD-CD 3.99Å; E41-K43 PolarHBondContact O-N 3.17Å; K43-L45 PolarHBondContact O-N 2.91Å; K43-W46 PolarHBondContact O-N 3.08Å; K43-E47 HydrophobicContact CG-CG 4.49Å; K43-E47 IonicContact NZ-OE1 2.99Å; K43-E47 PolarHBondContact NZ-OE1 2.75Å; K43-E47 VanDerWaalsContact O-CG 3.26Å; K43-E47 WeakPolarHBondContact O-CG 3.47Å; K43-E47 PolarHBondContact O-N 2.76Å
44T93.1Very high91.4Very high81 Ų8181.7 Ų81.750%0.49740%0.4SS..Hα-helixtrans-60.2-43.5-177.5-56.30000112.3M40 E41 L42 N48M40-T44 WeakPolarHBondContact O-CB 3.48Å; M40-T44 PolarHBondContact O-N 3.02Å; M40-T44 PolarHBondContact O-OG1 3.35Å; E41-T44 PolarHBondContact O-N 3.41Å; L42-T44 PolarHBondContact O-N 2.94Å; T44-N48 WeakPolarHBondContact O-CB 3.31Å; T44-N48 PolarHBondContact O-N 3.22Å; T44-N48 VanDerWaalsContact O-N 3.08Å
45L94.9Very high90.3Very high87 Ų8780.1 Ų80.146%0.45539%0.391SS..Hα-helixtrans-67.3-40.3178.1-72.7175000111.9E41 L42 K43 N48 K49E41-L45 HydrophobicContact CG-CD1 4Å; E41-L45 HydrophobicContact CG-CG 4.29Å; E41-L45 WeakPolarHBondContact O-CB 3.28Å; E41-L45 WeakPolarHBondContact O-CG 3.26Å; E41-L45 PolarHBondContact O-N 2.9Å; L42-L45 PolarHBondContact O-N 2.84Å; K43-L45 PolarHBondContact O-N 2.91Å; L45-N48 PolarHBondContact O-N 3.43Å; L45-K49 WeakPolarHBondContact O-CB 3.26Å; L45-K49 VanDerWaalsContact O-CG 3.28Å; L45-K49 WeakPolarHBondContact O-CG 3.17Å; L45-K49 PolarHBondContact O-N 3.37Å
46W95Very high89.2Confident81 Ų8175.7 Ų75.731%0.30737%0.368SS..Hα-helixtrans-65.3-46.6177.9-179.828.6000111.6V17 I18 V21 L42 K43 N48 K49 L50V17-W46 HydrophobicContact CG1-CH2 4.33Å; I18-W46 HydrophobicContact CB-CE3 4.04Å; I18-W46 HydrophobicContact CB-CH2 4.04Å; I18-W46 HydrophobicContact CB-CZ3 3.64Å; I18-W46 HydrophobicContact CD1-CD2 3.89Å; I18-W46 HydrophobicContact CD1-CE3 3.86Å; I18-W46 HydrophobicContact CD1-CG 4.49Å; I18-W46 HydrophobicContact CD1-CH2 4.45Å; I18-W46 HydrophobicContact CD1-CZ2 4.42Å; I18-W46 HydrophobicContact CD1-CZ3 4.2Å; I18-W46 HydrophobicContact CG1-CD2 3.98Å; I18-W46 HydrophobicContact CG1-CE3 3.63Å; I18-W46 HydrophobicContact CG1-CH2 3.51Å; I18-W46 HydrophobicContact CG1-CZ2 3.81Å; I18-W46 HydrophobicContact CG1-CZ3 3.44Å; I18-W46 VanDerWaalsContact CG1-CZ3 3.44Å; I18-W46 HydrophobicContact CG2-CE3 3.72Å; I18-W46 HydrophobicContact CG2-CZ3 3.69Å; V21-W46 HydrophobicContact CB-CH2 4.36Å; V21-W46 HydrophobicContact CB-CZ3 4.21Å; V21-W46 HydrophobicContact CG1-CZ3 4.31Å; V21-W46 HydrophobicContact CG2-CH2 4.31Å; L42-W46 VanDerWaalsContact O-CB 3.31Å; L42-W46 WeakPolarHBondContact O-CB 3.47Å; L42-W46 PolarHBondContact O-N 2.86Å; K43-W46 PolarHBondContact O-N 3.08Å; W46-N48 VanDerWaalsContact C-N 3.3Å; W46-N48 PolarHBondContact O-N 3.41Å; W46-K49 PolarHBondContact O-N 3.39Å; W46-L50 WeakPolarHBondContact O-CB 3.42Å; W46-L50 PolarHBondContact O-N 2.86Å
47E91.7Very high87.6Confident25 Ų2575.6 Ų75.612%0.11737%0.371CS..Hα-helixtrans-58.4-42.7175.6-67.4-172.9-178.900112R15 I18 K43 L50 M51 F59 H60R15-E47 IonicContact CZ-OE2 2.9Å; R15-E47 IonicContact NH1-OE1 2.81Å; R15-E47 PolarHBondContact NH1-OE1 2.9Å; R15-E47 IonicContact NH1-OE2 2.86Å; R15-E47 PolarHBondContact NH1-OE2 2.86Å; R15-E47 IonicContact NH2-OE2 2.75Å; I18-E47 HydrophobicContact CD1-CG 3.61Å; K43-E47 HydrophobicContact CG-CG 4.49Å; K43-E47 IonicContact NZ-OE1 2.99Å; K43-E47 PolarHBondContact NZ-OE1 2.75Å; K43-E47 VanDerWaalsContact O-CG 3.26Å; K43-E47 WeakPolarHBondContact O-CG 3.47Å; K43-E47 PolarHBondContact O-N 2.76Å; E47-L50 PolarHBondContact O-N 3.49Å; E47-M51 WeakPolarHBondContact O-CG 3.34Å; E47-M51 PolarHBondContact O-N 3.07Å; E47-M51 VanDerWaalsContact O-N 3.14Å; E47-F59 HydrophobicContact CB-CE1 3.93Å; E47-F59 HydrophobicContact CG-CE1 3.88Å; E47-H60 IonicContact OE2-CE1 2.81Å
48N89.6Confident85.8Confident57 Ų5770.2 Ų70.231%0.30535%0.353SS..Hα-helixtrans-65.6-43.6177.3-166-15.2000111.8T44 L45 W46 L50 M51 Q52T44-N48 WeakPolarHBondContact O-CB 3.31Å; T44-N48 PolarHBondContact O-N 3.22Å; T44-N48 VanDerWaalsContact O-N 3.08Å; L45-N48 PolarHBondContact O-N 3.43Å; W46-N48 VanDerWaalsContact C-N 3.3Å; W46-N48 PolarHBondContact O-N 3.41Å; N48-L50 PolarHBondContact O-N 3.14Å; N48-M51 HydrophobicContact CB-CE 4.48Å; N48-M51 PolarHBondContact O-N 3.23Å; N48-Q52 VanDerWaalsContact O-CG 3.32Å; N48-Q52 WeakPolarHBondContact O-CG 3.49Å; N48-Q52 PolarHBondContact O-N 3Å; N48-Q52 PolarHBondContact OD1-NE2 2.95Å
49K92Very high83.8Confident136 Ų13667.4 Ų67.459%0.59134%0.336SS*.Hα-helixtrans-62.5-40.8175.6-77173.4179.1-69.10112.1L45 W46 M51 Q52 S53L45-K49 WeakPolarHBondContact O-CB 3.26Å; L45-K49 VanDerWaalsContact O-CG 3.28Å; L45-K49 WeakPolarHBondContact O-CG 3.17Å; L45-K49 PolarHBondContact O-N 3.37Å; W46-K49 PolarHBondContact O-N 3.39Å; K49-M51 VanDerWaalsContact C-N 3.3Å; K49-M51 PolarHBondContact O-N 2.89Å; K49-Q52 PolarHBondContact O-N 2.93Å; K49-S53 PolarHBondContact O-N 2.81Å
50L90.2Very high81.8Confident23 Ų2370.1 Ų70.112%0.1235%0.348CS..Hα-helixtrans-62.3-39.8177.7-172.163.9000111.1Y14 W46 E47 N48 S53 F59Y14-L50 HydrophobicContact CD1-CD2 4.34Å; Y14-L50 HydrophobicContact CG-CD2 4.03Å; W46-L50 WeakPolarHBondContact O-CB 3.42Å; W46-L50 PolarHBondContact O-N 2.86Å; E47-L50 PolarHBondContact O-N 3.49Å; N48-L50 PolarHBondContact O-N 3.14Å; L50-S53 WeakPolarHBondContact O-CB 3.32Å; L50-S53 PolarHBondContact O-N 3.15Å; L50-S53 PolarHBondContact O-OG 3.36Å; L50-F59 HydrophobicContact CD2-CD1 4.35Å; L50-F59 HydrophobicContact CD2-CD2 4.09Å; L50-F59 HydrophobicContact CD2-CE1 3.91Å; L50-F59 HydrophobicContact CD2-CE2 3.62Å; L50-F59 HydrophobicContact CD2-CG 4.47Å; L50-F59 HydrophobicContact CD2-CZ 3.56Å
51M80.6Confident80.1Confident57 Ų5769.3 Ų69.328%0.28135%0.351SS..Hα-helixtrans-68.8-39173.7-69.4-172.2-68.700113.7E47 N48 K49 S53 R54 F59 H60E47-M51 WeakPolarHBondContact O-CG 3.34Å; E47-M51 PolarHBondContact O-N 3.07Å; E47-M51 VanDerWaalsContact O-N 3.14Å; N48-M51 HydrophobicContact CB-CE 4.48Å; N48-M51 PolarHBondContact O-N 3.23Å; K49-M51 VanDerWaalsContact C-N 3.3Å; K49-M51 PolarHBondContact O-N 2.89Å; M51-S53 PolarHBondContact O-N 3.28Å; M51-R54 PolarHBondContact O-N 2.81Å; M51-F59 HydrophobicContact CG-CB 3.85Å; M51-F59 HydrophobicContact CG-CD1 4.04Å; M51-F59 HydrophobicContact CG-CG 4.38Å; M51-F59 HydrophobicContact SD-CB 4.48Å; M51-H60 WeakPolarHBondContact CE-CD2 3.29Å; M51-H60 WeakPolarHBondContact CE-NE2 3.47Å; M51-H60 PolarHBondContact SD-CD2 3.48Å; M51-H60 PolarHBondContact SD-NE2 2.94Å
52Q82.9Confident78.1Confident122 Ų12268.8 Ų68.857%0.5735%0.348SS*.Hα-helixtrans-63.6-28.9178-73.5174.427.400112.3N48 K49 R54N48-Q52 VanDerWaalsContact O-CG 3.32Å; N48-Q52 WeakPolarHBondContact O-CG 3.49Å; N48-Q52 PolarHBondContact O-N 3Å; N48-Q52 PolarHBondContact OD1-NE2 2.95Å; K49-Q52 PolarHBondContact O-N 2.93Å; Q52-R54 PolarHBondContact O-N 3.35Å
53S82.7Confident76Confident64 Ų6471.1 Ų71.145%0.44836%0.357SS..THydrogen-bonded Turntrans-61.7-20.9173.880.50000113K49 L50 M51 A55K49-S53 PolarHBondContact O-N 2.81Å; L50-S53 WeakPolarHBondContact O-CB 3.32Å; L50-S53 PolarHBondContact O-N 3.15Å; L50-S53 PolarHBondContact O-OG 3.36Å; M51-S53 PolarHBondContact O-N 3.28Å; S53-A55 PolarHBondContact O-N 3.5Å; S53-A55 VanDerWaalsContact OG-CB 3.29Å; S53-A55 WeakPolarHBondContact OG-CB 2.96Å; S53-A55 PolarHBondContact OG-N 3.2Å
54R78.4Confident74Confident201 Ų20175.2 Ų75.276%0.75838%0.377SS*.  trans57.28.6-173-55.2-176.1-176.4160.12114.7M51 Q52 V56M51-R54 PolarHBondContact O-N 2.81Å; Q52-R54 PolarHBondContact O-N 3.35Å; R54-V56 PolarHBondContact O-N 3.3Å
55A73.1Confident72.1Confident10 Ų1077.7 Ų77.78%0.08338%0.383CS..  trans-66.2-23.8-179.300000112.5S53 G364 D366S53-A55 PolarHBondContact O-N 3.5Å; S53-A55 VanDerWaalsContact OG-CB 3.29Å; S53-A55 WeakPolarHBondContact OG-CB 2.96Å; S53-A55 PolarHBondContact OG-N 3.2Å; A55-G364 WeakPolarHBondContact CA-O 3.33Å; A55-D366 VanDerWaalsContact CB-OD2 3.31Å; A55-D366 WeakPolarHBondContact CB-OD2 3.15Å; A55-D366 PolarHBondContact O-N 3.45Å
56V69.3Low70.4Confident11 Ų1178.6 Ų78.67%0.06739%0.387CS..SBendtrans-131.499.9-172.5-173.60000110.4P11 Y14 R54 G58 F59P11-V56 HydrophobicContact CB-CG1 3.51Å; P11-V56 HydrophobicContact CG-CG1 3.44Å; P11-V56 VanDerWaalsContact CG-CG1 3.44Å; Y14-V56 HydrophobicContact CD2-CB 4.47Å; Y14-V56 HydrophobicContact CD2-CG1 4.2Å; Y14-V56 HydrophobicContact CD2-CG2 3.44Å; Y14-V56 VanDerWaalsContact CD2-CG2 3.44Å; Y14-V56 HydrophobicContact CE2-CG2 3.26Å; R54-V56 PolarHBondContact O-N 3.3Å; V56-G58 PolarHBondContact O-N 3.38Å; V56-F59 HydrophobicContact CG1-CD2 4.36Å
57D61.8Low68.6Low101 Ų10179.8 Ų79.854%0.5440%0.399SS..THydrogen-bonded Turntrans-70.2116.3171.1-73.4-40.2000109.6R365D57-R365 IonicContact OD2-CZ 3.51Å; D57-R365 IonicContact OD2-NH1 3.18Å; D57-R365 PolarHBondContact OD2-NH1 3.28Å; D57-R365 IonicContact OD2-NH2 3.71Å
58G55.3Low66.9Low30 Ų3084 Ų8431%0.30942%0.422SS..THydrogen-bonded Turntrans113.712.2167.800000117.2V56 H60 S61V56-G58 PolarHBondContact O-N 3.38Å; G58-H60 PolarHBondContact O-N 3.44Å; G58-S61 WeakPolarHBondContact CA-OG 3.37Å; G58-S61 PolarHBondContact O-N 2.8Å; G58-S61 VanDerWaalsContact O-N 3.12Å
59F54.7Low65.3Low12 Ų1287.6 Ų87.65%0.05344%0.437CS..THydrogen-bonded Turntrans-55.9-25.7-177.5-150.5-122.2000114.2P11 R15 I18 E47 L50 M51 V56P11-F59 HydrophobicContact CB-CD2 4.34Å; R15-F59 HydrophobicContact CB-CE2 4.43Å; R15-F59 VanDerWaalsContact CD-CZ 3.49Å; R15-F59 HydrophobicContact CG-CD2 4.16Å; R15-F59 HydrophobicContact CG-CE2 3.56Å; R15-F59 HydrophobicContact CG-CZ 3.91Å; R15-F59 VanDerWaalsContact CZ-CZ 3.45Å; R15-F59 VanDerWaalsContact CZ-O 3.26Å; R15-F59 VanDerWaalsContact NE-CZ 3.33Å; R15-F59 PolarHBondContact NE-O 3.36Å; R15-F59 VanDerWaalsContact NH1-CE1 3.34Å; R15-F59 PolarHBondContact NH2-O 3.49Å; I18-F59 HydrophobicContact CD1-CE1 3.88Å; I18-F59 HydrophobicContact CD1-CZ 3.5Å; I18-F59 VanDerWaalsContact CD1-CZ 3.5Å; I18-F59 HydrophobicContact CG1-CZ 4.36Å; E47-F59 HydrophobicContact CB-CE1 3.93Å; E47-F59 HydrophobicContact CG-CE1 3.88Å; L50-F59 HydrophobicContact CD2-CD1 4.35Å; L50-F59 HydrophobicContact CD2-CD2 4.09Å; L50-F59 HydrophobicContact CD2-CE1 3.91Å; L50-F59 HydrophobicContact CD2-CE2 3.62Å; L50-F59 HydrophobicContact CD2-CG 4.47Å; L50-F59 HydrophobicContact CD2-CZ 3.56Å; M51-F59 HydrophobicContact CG-CB 3.85Å; M51-F59 HydrophobicContact CG-CD1 4.04Å; M51-F59 HydrophobicContact CG-CG 4.38Å; M51-F59 HydrophobicContact SD-CB 4.48Å; V56-F59 HydrophobicContact CG1-CD2 4.36Å
60H52.9Low63.6Low60 Ų6085.1 Ų85.128%0.27843%0.433SS..THydrogen-bonded Turntrans-114.12.9177.5-75.8-31.4000115.6R15 E47 M51 G58 E62 Q64R15-H60 PolarHBondContact NH2-CE1 3.18Å; R15-H60 PolarHBondContact NH2-ND1 3.21Å; E47-H60 IonicContact OE2-CE1 2.81Å; M51-H60 WeakPolarHBondContact CE-CD2 3.29Å; M51-H60 WeakPolarHBondContact CE-NE2 3.47Å; M51-H60 PolarHBondContact SD-CD2 3.48Å; M51-H60 PolarHBondContact SD-NE2 2.94Å; G58-H60 PolarHBondContact O-N 3.44Å; H60-E62 VanDerWaalsContact C-N 3.3Å; H60-E62 PolarHBondContact O-N 2.88Å; H60-Q64 PolarHBondContact O-N 2.77Å
61S57.4Low61.9Low71 Ų7191.6 Ų91.650%0.49746%0.463SS..THydrogen-bonded Turntrans-68-28.3-170.3-61.90000113.3G58 Q65G58-S61 WeakPolarHBondContact CA-OG 3.37Å; G58-S61 PolarHBondContact O-N 2.8Å; G58-S61 VanDerWaalsContact O-N 3.12Å; S61-Q65 WeakPolarHBondContact O-CB 3.46Å
62E54.4Low60.7Low101 Ų10196.6 Ų96.647%0.47249%0.486SS..THydrogen-bonded Turntrans-89.4-39.1-174.7-137.5163.2120.800112.2K12 H60 Q65 L66K12-E62 WeakPolarHBondContact CE-OE2 3.5Å; K12-E62 VanDerWaalsContact NZ-CD 3.32Å; K12-E62 IonicContact NZ-OE1 3.7Å; K12-E62 PolarHBondContact NZ-OE1 3.06Å; K12-E62 IonicContact NZ-OE2 3.7Å; K12-E62 PolarHBondContact NZ-OE2 3.27Å; H60-E62 VanDerWaalsContact C-N 3.3Å; H60-E62 PolarHBondContact O-N 2.88Å; E62-Q65 PolarHBondContact O-N 2.86Å; E62-L66 PolarHBondContact O-N 3.29Å
63E52.2Low59.3Low133 Ų13398.9 Ų98.962%0.62150%0.496SS*.Hα-helixtrans-76.7-42.4-177.6-164.5175.2114.500112.8Q65 L66 L67E63-Q65 PolarHBondContact O-N 3.42Å; E63-L66 PolarHBondContact O-N 3.14Å; E63-L67 HydrophobicContact CG-CD1 4.19Å; E63-L67 WeakPolarHBondContact O-CB 3.01Å; E63-L67 WeakPolarHBondContact O-CD1 3.42Å; E63-L67 PolarHBondContact O-N 2.98Å
64Q51.8Low57.7Low117 Ų117102.9 Ų102.955%0.54751%0.508SS..Hα-helixtrans-65.1-31.7171.7-80.5-170.717.500111.9H60 L68H60-Q64 PolarHBondContact O-N 2.77Å; Q64-L68 WeakPolarHBondContact O-CB 3.47Å; Q64-L68 PolarHBondContact O-N 2.97Å
65Q54.5Low55.9Low132 Ų132102 Ų10262%0.61751%0.512SS*.Hα-helixtrans-75-34.6177.9-165.9167.9111.900111.8S61 E62 E63 Q69S61-Q65 WeakPolarHBondContact O-CB 3.46Å; E62-Q65 PolarHBondContact O-N 2.86Å; E63-Q65 PolarHBondContact O-N 3.42Å; Q65-Q69 VanDerWaalsContact O-CB 3.26Å; Q65-Q69 WeakPolarHBondContact O-CB 3.46Å; Q65-Q69 PolarHBondContact O-N 3.21Å
66L58.4Low54.6Low106 Ų106106.6 Ų106.656%0.55554%0.541SS*.Hα-helixtrans-64.7-44.6169-115.592.3000111.6E62 E63 L68 Q69 V70E62-L66 PolarHBondContact O-N 3.29Å; E63-L66 PolarHBondContact O-N 3.14Å; L66-L68 PolarHBondContact O-N 3.42Å; L66-Q69 PolarHBondContact O-N 2.59Å; L66-V70 VanDerWaalsContact O-CG2 3.29Å; L66-V70 WeakPolarHBondContact O-CG2 3.44Å; L66-V70 PolarHBondContact O-N 3.48Å
67L58Low53.3Low106 Ų106115.4 Ų115.456%0.55558%0.582SS**Hα-helixtrans-63.8-38.9177.6-91.2142000112.5E63 Q69 Q71E63-L67 HydrophobicContact CG-CD1 4.19Å; E63-L67 WeakPolarHBondContact O-CB 3.01Å; E63-L67 WeakPolarHBondContact O-CD1 3.42Å; E63-L67 PolarHBondContact O-N 2.98Å; L67-Q69 VanDerWaalsContact C-N 3.34Å; L67-Q71 WeakPolarHBondContact O-CB 3.47Å; L67-Q71 PolarHBondContact O-N 2.9Å; L67-Q71 VanDerWaalsContact O-N 3.08Å
68L56Low52.3Low113 Ų113119.2 Ų119.259%0.59260%0.596SS**Hα-helixtrans-67.2-33.8173.2-116.374.6000112.7Q64 L66 Q72Q64-L68 WeakPolarHBondContact O-CB 3.47Å; Q64-L68 PolarHBondContact O-N 2.97Å; L66-L68 PolarHBondContact O-N 3.42Å; L68-Q72 PolarHBondContact O-N 3.2Å
69Q54.5Low51.7Low133 Ų133126.1 Ų126.162%0.62162%0.62SS**Hα-helixtrans-77.6-35.9-178.9-164164.58800111.9Q65 L66 L67 Q71 Q72Q65-Q69 VanDerWaalsContact O-CB 3.26Å; Q65-Q69 WeakPolarHBondContact O-CB 3.46Å; Q65-Q69 PolarHBondContact O-N 3.21Å; L66-Q69 PolarHBondContact O-N 2.59Å; L67-Q69 VanDerWaalsContact C-N 3.34Å; Q69-Q71 VanDerWaalsContact C-N 3.34Å; Q69-Q72 PolarHBondContact O-N 2.88Å
70V57.3Low50.9Low85 Ų85133.9 Ų133.952%0.51566%0.657SS.*Hα-helixtrans-68.4-34.3172.2173.80000111.2L66 H74L66-V70 VanDerWaalsContact O-CG2 3.29Å; L66-V70 WeakPolarHBondContact O-CG2 3.44Å; L66-V70 PolarHBondContact O-N 3.48Å; V70-H74 PolarHBondContact O-ND1 2.98Å
71Q54.1Low50Low158 Ų158139.8 Ų139.874%0.73868%0.684SS**Hα-helixtrans-73.5-29.3177.4-157.9172.9104.300113L67 Q69L67-Q71 WeakPolarHBondContact O-CB 3.47Å; L67-Q71 PolarHBondContact O-N 2.9Å; L67-Q71 VanDerWaalsContact O-N 3.08Å; Q69-Q71 VanDerWaalsContact C-N 3.34Å
72Q56.1Low49.1Very low163 Ų163144.5 Ų144.576%0.76270%0.698SS**Hα-helixtrans-76.3-17.8176.4-87.2-165.489.400114.8L68 Q69L68-Q72 PolarHBondContact O-N 3.2Å; Q69-Q72 PolarHBondContact O-N 2.88Å
73Q53.2Low48.2Very low170 Ų170146.8 Ų146.879%0.79471%0.708SS**THydrogen-bonded Turntrans-84.3-10.7178.6-78.2-138.4-9.500115Q75Q73-Q75 PolarHBondContact O-N 2.79Å
74H48.7Very low47.3Very low148 Ų148148 Ų14869%0.68571%0.714SS**  trans-96.728.8-173.6-71.695.1000115.1V70 P76V70-H74 PolarHBondContact O-ND1 2.98Å; H74-P76 WeakPolarHBondContact O-CD 3.26Å
75Q40Very low46.4Very low182 Ų182149.7 Ų149.785%0.8572%0.721SS**  trans-99.393.2174.2-152.3174.589.800110.8Q73 Q77Q73-Q75 PolarHBondContact O-N 2.79Å; Q75-Q77 PolarHBondContact O-N 3.29Å
76P46.3Very low45.4Very low107 Ų107150 Ų15070%0.69572%0.722SS**  trans-72.3125.4177.127.5-32.6000111H74 Q78H74-P76 WeakPolarHBondContact O-CD 3.26Å; P76-Q78 PolarHBondContact O-N 2.59Å; P76-Q78 VanDerWaalsContact O-N 3.13Å
77Q41.4Very low44.3Very low196 Ų196151.5 Ų151.592%0.91673%0.727SS**  trans-51.4110.7165.1-74.5174.321.700110.6Q75Q75-Q77 PolarHBondContact O-N 3.29Å
78Q41.2Very low43.5Very low180 Ų180153.5 Ų153.584%0.84173%0.733SS**  trans-141.381.4157.8-77.8-162.247.700109.4P76P76-Q78 PolarHBondContact O-N 2.59Å; P76-Q78 VanDerWaalsContact O-N 3.13Å
79Q42.2Very low42.8Very low176 Ų176155.1 Ų155.182%0.82274%0.737SS**  trans-133.4122.7156.2-89.8-174.325.300110.3
80Q39.2Very low42.4Very low174 Ų174157 Ų15781%0.81375%0.746SS**  trans80.380.6156.4-60.8-168.950.300118.6
81H33.9Very low41.7Very low184 Ų184157.3 Ų157.385%0.85276%0.758SS**  trans-109.6117132-88.9-112.4000107.2
82H38.2Very low41.2Very low171 Ų171158.7 Ų158.779%0.79276%0.764SS**  trans-168107.7145.3-10084.4000110.9
83H34.5Very low40.4Very low148 Ų148156.4 Ų156.469%0.68576%0.763SS**  trans73.8112.7134.5-76.269.3000123.3
84H34Very low39.8Very low159 Ų159157.3 Ų157.374%0.73677%0.767SS**  84.3104.1126.2-89.373.7000122.4
85H32.3Very low39.4Very low153 Ų153159 Ų15971%0.70878%0.775SS**  82.8137.5114.7-152.271.5000120.8
86H34.1Very low39.2Very low139 Ų139155.8 Ų155.864%0.64477%0.769SS**  trans75.2138.6172.9-96.957000116.9
87Q35.8Very low38.7Very low137 Ų137156.6 Ų156.664%0.6477%0.772SS**  cis-169.3142.6-8.7-157-165.187.100106.8
88H40.2Very low38.2Very low148 Ų148153.3 Ų153.369%0.68577%0.767SS**  trans60.5114.5150.7-90.8116000122.7
89Q41.2Very low37.9Very low147 Ų147153.4 Ų153.469%0.68777%0.767SS**  125.1118.2108.2-149.3153.593.600118.2
90Q46.1Very low37.7Very low172 Ų172153.8 Ų153.880%0.80477%0.769SS**  trans74.3102.4144.6-82172.1-2.700123.3
91A43Very low37.2Very low92 Ų92149.6 Ų149.676%0.7677%0.765SS**  68.9108.3115.300000121.9
92Q43.6Very low37.3Very low187 Ų187150.2 Ų150.287%0.87477%0.768SS**  -179.9147.7106.2-101.3-175.625.800112.5
93P39.5Very low36.8Very low115 Ų115148.1 Ų148.175%0.74777%0.767SS**  trans-112.1147.7-178.838.4-27000114.6
94Q41Very low36.7Very low188 Ų188150 Ų15088%0.87978%0.776SS**  trans-161.9107.7155.1-103.8165.95100107.3
95Q40Very low36.4Very low183 Ų183151.4 Ų151.486%0.85578%0.783SS**  50.9124.586.7-90.3-167.243.600112.7
96T35.5Very low36.4Very low115 Ų115150.4 Ų150.471%0.70679%0.788SS**  cis-159.3153.916420000106.5
97V35.6Very low36Very low125 Ų125151.2 Ų151.276%0.75880%0.796SS**  178.7138.869.81730000107.2
98P32.2Very low35.9Very low127 Ų127152 Ų15283%0.82580%0.803SS**  trans-110.1142169.135.5-24000112.4
99Q34.7Very low35.5Very low181 Ų181150.3 Ų150.385%0.84681%0.805SS**  trans-129.7104168.9-166.1159.981.800112.4
100Q37.6Very low34.7Very low184 Ų184148.1 Ų148.186%0.8681%0.812SS**  trans40.3118.5142.4-73.8179.7-21.500122
101A29.2Very low34.1Very low87 Ų87144.5 Ų144.572%0.71981%0.806SS**  trans-79149.3161.100000112.6
102Q35.3Very low33.7Very low196 Ų196148.4 Ų148.492%0.91681%0.808SS**  trans-133.4118.7144.8-80.4-169.9-1.600108.8
103T27.6Very low33Very low127 Ų127148.8 Ų148.878%0.77981%0.81SS**  trans-108.8133.2172.144.70000108.2
104Q32.3Very low32.5Very low188 Ų188147.6 Ų147.688%0.87981%0.81SS**  trans-135.6103.1158.9-105.1173.891.500107.7
105Q27.5Very low31.8Very low188 Ų188145.1 Ų145.188%0.87981%0.808SS**  trans-93.7133.3164.3-76.7-151.856.500108.2
106V31.5Very low31.3Very low133 Ų133141.1 Ų141.181%0.80681%0.806SS**  trans-117.3122.5161.5175.10000108.3
107L27.5Very low31.1Very low156 Ų156141.3 Ų141.382%0.81781%0.809SS**  trans-86.7129.5-175.3175.478.3000110.1
108I33Very low30.5Very low154 Ų154143.9 Ų143.979%0.7981%0.813SS**  trans-143.3133157.4-51.1178.6000109.6
109P30.9Very low30.2Very low112 Ų112143.6 Ų143.673%0.72781%0.809SS**  trans-93.2159.3-166.836.5-34.1000114.9
110A25.7Very low29.8Very low101 Ų101142.4 Ų142.484%0.83581%0.806SS**  trans-65.1144.517700000114.4
111S32.3Very low29.5Very low96 Ų96139.5 Ų139.567%0.67180%0.801SS**  trans-165.4143.9142.165.30000113.3
112Q35Very low29.6Very low173 Ų173140.6 Ų140.681%0.80880%0.801SS**  trans79.1108.7156-66.31658900117.7
113Q28.4Very low29.4Very low196 Ų196138 Ų13892%0.91679%0.793SS**  57.399.965.5-87.5-175.7-20.500115.9
114A29.5Very low29.4Very low90 Ų90136.7 Ų136.774%0.74479%0.79SS**  trans-179.7104.9146.900000108.3
115T27.4Very low29.6Very low136 Ų136136.4 Ų136.483%0.83479%0.785SS**  62.29886.461.50000118
116A29.1Very low29.7Very low99 Ų99133.7 Ų133.782%0.81878%0.776SS**  trans62.1163.1138.200000120.5
117P31.2Very low29.8Very low119 Ų119134 Ų13477%0.77377%0.773SS**  cis-132.7166.17.838.5-19.1000117.2
118Q23.5Very low29.8Very low178 Ų178133.9 Ų133.983%0.83277%0.768SS**  trans-88.7136.3169.1-73.2-85.12.600109.9
119V25.5Very low29.8Very low122 Ų122135 Ų13574%0.73977%0.769SS**  trans-120.5123.6169174.90000108.6V121V119-V121 HydrophobicContact CG1-CG2 3.84Å
120I25.9Very low29.7Very low155 Ų155138.3 Ų138.380%0.79578%0.777SS**  trans-107.7123.1173.5-76.7159.2000106.2
121V32.1Very low30Very low123 Ų123141.4 Ų141.475%0.74578%0.78SS**  trans-127.5127166.5-160.80000109V119V119-V121 HydrophobicContact CG1-CG2 3.84Å
122P30.2Very low29.9Very low110 Ų110140.4 Ų140.471%0.71478%0.777SS**  trans-97.3129.717132.8-23000109.9
123D31Very low29.9Very low142 Ų142137.9 Ų137.976%0.75978%0.779SS**  trans-158.3148.7137.5-155.431000113.3
124S29Very low30.1Very low100 Ų100134.3 Ų134.370%0.69978%0.776SS**  trans-85.7138.9174.9-58.60000110.4
125K36Very low30.3Very low181 Ų181137.6 Ų137.679%0.78778%0.779SS**  trans-176.5102.1147.6-96.8151-144.1-70.10107.3
126L29.9Very low30.5Very low131 Ų131136.8 Ų136.869%0.68677%0.774SS**  72.8107.492.1-160.1167.9000111.8
127L33.1Very low30.5Very low140 Ų140137.6 Ų137.673%0.73377%0.774SS**  trans169.199.9139.6-86.3158.9000105.8
128Q27.9Very low30.4Very low154 Ų154135.9 Ų135.972%0.7277%0.77SS**  42.8116.890.3-62.2177.521.600109.5
129H32.6Very low30.6Very low177 Ų177132.3 Ų132.382%0.81977%0.771SS**  -162.9151.489.8-91.6-137.8000110.7
130M28.1Very low30.8Very low182 Ų182130.9 Ų130.990%0.89777%0.772SS**  trans-72.8150.7-170-53.8-179.39700113.7
131N33.3Very low30.8Very low165 Ų165130.3 Ų130.388%0.88278%0.775SS**  -157.2142.6108.5-150.4-0.5000111.9
132A29Very low30.6Very low75 Ų75128.9 Ų128.962%0.6278%0.776SS**  trans-112.7127.3-174.300000109.5
133S34.8Very low30.4Very low121 Ų121128.9 Ų128.985%0.84679%0.786SS**  trans172.8130.3162.6-72.40000104.3
134S34Very low30.5Very low121 Ų121127.1 Ų127.185%0.84678%0.781SS**  cis-165.4146.624.328.90000108.4
135I32.4Very low30.7Very low158 Ų158129.6 Ų129.681%0.8179%0.785SS**  trans-75.7147.3177.9-63.2161.8000109
136T31.4Very low30.3Very low120 Ų120126 Ų12674%0.73679%0.789SS**  150.4126.9118.8-43.90000114
137S30.2Very low30.5Very low115 Ų115123.1 Ų123.180%0.80477%0.774SS**  trans62.9150.8148.6-86.50000121.9
138A29.5Very low30.7Very low84 Ų84121 Ų12169%0.69477%0.769SS**  cis179.6149.7-19.600000106.7
139A27.1Very low31.1Very low103 Ų103119 Ų11985%0.85178%0.778SS**  trans72.2109.9152.400000120.6
140A30Very low31.8Very low92 Ų92113.1 Ų113.176%0.7677%0.766SS**  -170.110312300000111.8
141T25.8Very low32.5Very low142 Ų142106.4 Ų106.487%0.87174%0.735SS**  trans21.5109.1143.452.10000120.6
142A27.3Very low33.2Very low93 Ų93102.7 Ų102.777%0.76972%0.719SS**  trans-166.6144.8132.200000109.6T144A142-T144 PolarHBondContact O-N 3.09Å
143A26.8Very low34.2Very low110 Ų110102.9 Ų102.991%0.90971%0.713SS**  trans-49.7122.4-166.600000115.4
144T33.2Very low35.2Very low106 Ų106100.2 Ų100.265%0.6569%0.692SS**  trans-155.5144.5167175.30000109.9A142A142-T144 PolarHBondContact O-N 3.09Å
145L32.7Very low36.2Very low152 Ų15299.1 Ų99.180%0.79667%0.673SS**  trans-43.2134.9-172.8-85.465.1000112.6L147L145-L147 PolarHBondContact O-N 2.85Å
146A27.9Very low37.3Very low106 Ų10697.6 Ų97.688%0.87666%0.663SS**  trans-60.2106.8175.500000110.7
147L33.6Very low38.1Very low70 Ų7095.5 Ų95.537%0.36665%0.646SS.*PPolyproline II helixtrans-82.6136.9169.9-71.8164.8000109.3L145 V151 P153L145-L147 PolarHBondContact O-N 2.85Å; L147-V151 HydrophobicContact CB-CG2 3.8Å; L147-V151 HydrophobicContact CD2-CG2 3.95Å; L147-V151 HydrophobicContact CG-CG2 4.33Å; L147-P153 HydrophobicContact CD1-CB 4.4Å; L147-P153 HydrophobicContact CD1-CG 4.27Å
148P37.5Very low38.8Very low95 Ų9595.1 Ų95.162%0.61764%0.635SS**PPolyproline II helixtrans-67.7155.2178.827.2-33.2000112.2G150 V151P148-G150 PolarHBondContact O-N 2.93Å; P148-V151 HydrophobicContact CG-CG2 4.3Å; P148-V151 WeakPolarHBondContact O-CG2 3.44Å; P148-V151 PolarHBondContact O-N 3.47Å
149A36.1Very low40.1Very low111 Ų11192.8 Ų92.892%0.91761%0.612SS**THydrogen-bonded Turntrans-53.7128.8178.100000111.6
150G46.7Very low40.8Very low55 Ų5596.9 Ų96.957%0.56762%0.62SS**THydrogen-bonded Turntrans102.8-3.1177.800000115.8P148P148-G150 PolarHBondContact O-N 2.93Å
151V43.7Very low41.7Very low40 Ų4096.8 Ų96.824%0.24261%0.613CS.*  trans-112.2121.3164.3-550000109.1L147 P148 V168L147-V151 HydrophobicContact CB-CG2 3.8Å; L147-V151 HydrophobicContact CD2-CG2 3.95Å; L147-V151 HydrophobicContact CG-CG2 4.33Å; P148-V151 HydrophobicContact CG-CG2 4.3Å; P148-V151 WeakPolarHBondContact O-CG2 3.44Å; P148-V151 PolarHBondContact O-N 3.47Å; V151-V168 HydrophobicContact CB-CG1 3.73Å; V151-V168 HydrophobicContact CG1-CG1 4.27Å; V151-V168 HydrophobicContact CG2-CG1 4.21Å
152T46.9Very low42.5Very low88 Ų8892.7 Ų92.754%0.5460%0.599SS.*EExtended strand (participates in β ladder)trans-104.5131.5173.852.10000108.3V154T152-V154 PolarHBondContact O-N 3.37Å
153P51.7Low43.8Very low78 Ų7892.1 Ų92.151%0.50658%0.581SS.*EExtended strand (participates in β ladder)trans-63.6120.7167.127.5-31.1000107.6L147L147-P153 HydrophobicContact CD1-CB 4.4Å; L147-P153 HydrophobicContact CD1-CG 4.27Å
154V55Low44.8Very low65 Ų6591 Ų9139%0.39456%0.559SS.*EExtended strand (participates in β ladder)trans-97.6-28.9-176.8176.60000111.1T152 V167 R169T152-V154 PolarHBondContact O-N 3.37Å; V154-V167 PolarHBondContact N-O 2.86Å; V154-R169 HydrophobicContact CG2-CB 3.67Å
155Q53.7Low45.7Very low99 Ų9987.1 Ų87.146%0.46353%0.534SS..EExtended strand (participates in β ladder)trans-168.9153.4178.3-126.317072.500112.8L157 V167Q155-L157 HydrophobicContact CB-CD1 4.21Å; Q155-V167 PolarHBondContact O-N 3.24Å
156Q55.6Low46.7Very low126 Ų12682.5 Ų82.559%0.58951%0.509SS*.EExtended strand (participates in β ladder)trans-108.6120.7166.3-154.9168.659.900106.9L164 L165Q156-L164 HydrophobicContact CG-CB 4.44Å; Q156-L164 HydrophobicContact CG-CD2 4.24Å; Q156-L165 CarbonylContact C-O 3.54Å; Q156-L165 WeakPolarHBondContact CA-O 3.47Å
157L48Very low48.2Very low75 Ų7578.3 Ų78.339%0.39347%0.472SS..EExtended strand (participates in β ladder)trans-103135.6177.8-74.893.6000109.7Q155 L164 L165 V167Q155-L157 HydrophobicContact CB-CD1 4.21Å; L157-L164 CarbonylContact O-C 3.53Å; L157-L164 WeakPolarHBondContact O-CA 3.22Å; L157-L165 HydrophobicContact CB-CB 4.33Å; L157-L165 PolarHBondContact N-O 3.02Å; L157-L165 PolarHBondContact O-N 3.4Å; L157-V167 HydrophobicContact CD1-CB 4.28Å; L157-V167 HydrophobicContact CD1-CG2 3.27Å
158L46.7Very low49.4Very low107 Ų10775.6 Ų75.656%0.5646%0.458SS*.EExtended strand (participates in β ladder)trans-98.5121.3171.5-174.263.4000108.6Q163 L164L158-Q163 WeakPolarHBondContact CA-O 3.35Å; L158-L164 HydrophobicContact CB-CD2 4.44Å; L158-L164 HydrophobicContact CD1-CD2 3.79Å; L158-L164 HydrophobicContact CD1-CG 4.26Å
159T56.9Low50.1Low36 Ų3677.1 Ų77.122%0.22145%0.452CS..PPolyproline II helixtrans-74.6160.5175.567.40000111.3S161 G162 Q163 L165T159-S161 PolarHBondContact O-N 2.78Å; T159-S161 PolarHBondContact OG1-N 3.13Å; T159-S161 PolarHBondContact OG1-OG 2.74Å; T159-G162 PolarHBondContact O-N 2.89Å; T159-G162 PolarHBondContact OG1-N 2.79Å; T159-Q163 HydrophobicContact CG2-CB 4.13Å; T159-Q163 PolarHBondContact N-O 3.09Å; T159-Q163 WeakPolarHBondContact OG1-CB 3.4Å; T159-Q163 PolarHBondContact OG1-N 2.77Å; T159-L165 HydrophobicContact CG2-CD1 3.31Å; T159-L165 HydrophobicContact CG2-CG 3.92Å
160N41.7Very low51.2Low188 Ų18872.8 Ų72.8100%1.00542%0.416SS*.THydrogen-bonded Turntrans-57.3-15.9167.7-75.4-47000113.5
161S47.6Very low51.3Low90 Ų9074.9 Ų74.963%0.62943%0.428SS*.THydrogen-bonded Turntrans-958.8173.851.70000114.1T159 Q163T159-S161 PolarHBondContact O-N 2.78Å; T159-S161 PolarHBondContact OG1-N 3.13Å; T159-S161 PolarHBondContact OG1-OG 2.74Å; S161-Q163 VanDerWaalsContact C-N 3.33Å; S161-Q163 PolarHBondContact O-N 2.8Å
162G43.7Very low52.1Low56 Ų5678.7 Ų78.758%0.57745%0.447SS*.SBendtrans75.514.9178.200000114.9T159T159-G162 PolarHBondContact O-N 2.89Å; T159-G162 PolarHBondContact OG1-N 2.79Å
163Q54.4Low52.6Low81 Ų8176.5 Ų76.538%0.37944%0.442SS..  trans-87.9130.3177.1-65.8-162.864.800111.1L158 T159 S161L158-Q163 WeakPolarHBondContact CA-O 3.35Å; T159-Q163 HydrophobicContact CG2-CB 4.13Å; T159-Q163 PolarHBondContact N-O 3.09Å; T159-Q163 WeakPolarHBondContact OG1-CB 3.4Å; T159-Q163 PolarHBondContact OG1-N 2.77Å; S161-Q163 VanDerWaalsContact C-N 3.33Å; S161-Q163 PolarHBondContact O-N 2.8Å
164L48Very low52.6Low86 Ų8674.2 Ų74.245%0.4543%0.43SS..EExtended strand (participates in β ladder)trans-82.8114.2170.8-67.1170.6000109.2Q156 L157 L158 P180Q156-L164 HydrophobicContact CG-CB 4.44Å; Q156-L164 HydrophobicContact CG-CD2 4.24Å; L157-L164 CarbonylContact O-C 3.53Å; L157-L164 WeakPolarHBondContact O-CA 3.22Å; L158-L164 HydrophobicContact CB-CD2 4.44Å; L158-L164 HydrophobicContact CD1-CD2 3.79Å; L158-L164 HydrophobicContact CD1-CG 4.26Å; L164-P180 WeakPolarHBondContact O-CD 3.5Å; L164-P180 WeakPolarHBondContact O-CG 3.34Å
165L51.2Low52.4Low25 Ų2575.4 Ų75.413%0.13143%0.431CS..EExtended strand (participates in β ladder)trans-99135.6173.7-63.3162.1000108.7Q156 L157 T159 I177 Q179Q156-L165 CarbonylContact C-O 3.54Å; Q156-L165 WeakPolarHBondContact CA-O 3.47Å; L157-L165 HydrophobicContact CB-CB 4.33Å; L157-L165 PolarHBondContact N-O 3.02Å; L157-L165 PolarHBondContact O-N 3.4Å; T159-L165 HydrophobicContact CG2-CD1 3.31Å; T159-L165 HydrophobicContact CG2-CG 3.92Å; L165-I177 HydrophobicContact CB-CG2 4.13Å; L165-I177 HydrophobicContact CD1-CG2 4.41Å; L165-I177 HydrophobicContact CD2-CG2 3.69Å; L165-I177 HydrophobicContact CG-CG2 4.3Å; L165-Q179 HydrophobicContact CD2-CB 4.04Å; L165-Q179 HydrophobicContact CD2-CG 3.94Å
166Q54.8Low52.5Low56 Ų5676.7 Ų76.726%0.26243%0.432SS..EExtended strand (participates in β ladder)trans-104.1119.8175.4-169.6163.235.900110V168 L178Q166-V168 HydrophobicContact CG-CG2 4.43Å; Q166-L178 HydrophobicContact CB-CB 4.26Å; Q166-L178 PolarHBondContact N-O 2.88Å; Q166-L178 WeakPolarHBondContact O-CB 3.25Å; Q166-L178 PolarHBondContact O-N 3.29Å
167V57.5Low52.4Low18 Ų1876.4 Ų76.411%0.10943%0.434CS..EExtended strand (participates in β ladder)trans-95.1121.5178.11780000109.5V154 Q155 L157 Y176 I177V154-V167 PolarHBondContact N-O 2.86Å; Q155-V167 PolarHBondContact O-N 3.24Å; L157-V167 HydrophobicContact CD1-CB 4.28Å; L157-V167 HydrophobicContact CD1-CG2 3.27Å; V167-Y176 WeakPolarHBondContact CA-O 3.46Å; V167-I177 HydrophobicContact CG2-CG1 4.39Å
168V59Low52.5Low12 Ų1277 Ų777%0.07344%0.437CS..EExtended strand (participates in β ladder)trans-115.1126.6179.2-176.40000109.1V151 Q166 Q175 Y176 L178V151-V168 HydrophobicContact CB-CG1 3.73Å; V151-V168 HydrophobicContact CG1-CG1 4.27Å; V151-V168 HydrophobicContact CG2-CG1 4.21Å; Q166-V168 HydrophobicContact CG-CG2 4.43Å; V168-Q175 PolarHBondContact O-OE1 2.99Å; V168-Y176 PolarHBondContact N-O 3.36Å; V168-Y176 PolarHBondContact O-N 2.87Å; V168-L178 HydrophobicContact CB-CD1 4.49Å; V168-L178 HydrophobicContact CG2-CD1 3.47Å; V168-L178 VanDerWaalsContact CG2-CD1 3.47Å; V168-L178 HydrophobicContact CG2-CG 4.28Å
169R54Low52.5Low128 Ų12877.5 Ų77.548%0.48344%0.436SS..EExtended strand (participates in β ladder)trans-92.9121.5171.9-178.7176.8-91.3-149.6-4.8109.1V154V154-R169 HydrophobicContact CG2-CB 3.67Å
170A58.3Low52.1Low20 Ų2079.6 Ų79.617%0.16545%0.451CS..  trans-79.6159.317000000111.2N172 G173 A174 Y176A170-N172 WeakPolarHBondContact CB-OD1 3.27Å; A170-N172 PolarHBondContact O-N 3.01Å; A170-G173 PolarHBondContact O-N 2.9Å; A170-A174 PolarHBondContact N-O 3.32Å; A170-Y176 HydrophobicContact CB-CD2 4.23Å; A170-Y176 HydrophobicContact CB-CE2 3.69Å
171A48Very low52.2Low98 Ų9878.5 Ų78.581%0.8144%0.439SS*.THydrogen-bonded Turntrans-59.7-18-179.800000114.3G173A171-G173 VanDerWaalsContact C-N 3.33Å
172N61.8Low51.7Low120 Ų12081.7 Ų81.764%0.64244%0.444SS*.THydrogen-bonded Turntrans-88.36.6174.866.3-7.6000113.6A170 A174A170-N172 WeakPolarHBondContact CB-OD1 3.27Å; A170-N172 PolarHBondContact O-N 3.01Å; N172-A174 VanDerWaalsContact C-N 3.27Å; N172-A174 PolarHBondContact O-N 3.42Å; N172-A174 WeakPolarHBondContact OD1-CB 3.31Å; N172-A174 PolarHBondContact OD1-N 3.19Å
173G56.2Low50.9Low43 Ų4384.6 Ų84.644%0.44346%0.456SS..SBendtrans81.5-4.3-177.600000114.9A170 A171A170-G173 PolarHBondContact O-N 2.9Å; A171-G173 VanDerWaalsContact C-N 3.33Å
174A51.6Low49.7Very low30 Ų3086.2 Ų86.225%0.24847%0.471CS..  trans-68.5135.8175.500000110.8A170 N172 Y176A170-A174 PolarHBondContact N-O 3.32Å; N172-A174 VanDerWaalsContact C-N 3.27Å; N172-A174 PolarHBondContact O-N 3.42Å; N172-A174 WeakPolarHBondContact OD1-CB 3.31Å; N172-A174 PolarHBondContact OD1-N 3.19Å; A174-Y176 HydrophobicContact CB-CE2 3.71Å
175Q51.1Low48.6Very low89 Ų8988.1 Ų88.142%0.41649%0.486SS..EExtended strand (participates in β ladder)trans-98.5132173.8-67-73.49.500109.3V168V168-Q175 PolarHBondContact O-OE1 2.99Å
176Y56Low47.6Very low126 Ų12694 Ų9449%0.49452%0.516SS..EExtended strand (participates in β ladder)trans-118.4131.6175.3-62.4-88000109.5V167 V168 A170 A174V167-Y176 WeakPolarHBondContact CA-O 3.46Å; V168-Y176 PolarHBondContact N-O 3.36Å; V168-Y176 PolarHBondContact O-N 2.87Å; A170-Y176 HydrophobicContact CB-CD2 4.23Å; A170-Y176 HydrophobicContact CB-CE2 3.69Å; A174-Y176 HydrophobicContact CB-CE2 3.71Å
177I53.9Low46.3Very low121 Ų12199.9 Ų99.962%0.62154%0.544SS*.EExtended strand (participates in β ladder)trans-94.3112.2172.8-61.6174.4000107.6L165 V167L165-I177 HydrophobicContact CB-CG2 4.13Å; L165-I177 HydrophobicContact CD1-CG2 4.41Å; L165-I177 HydrophobicContact CD2-CG2 3.69Å; L165-I177 HydrophobicContact CG-CG2 4.3Å; V167-I177 HydrophobicContact CG2-CG1 4.39Å
178L49.4Very low44.9Very low86 Ų86107.2 Ų107.245%0.4558%0.577SS.*EExtended strand (participates in β ladder)trans-91.7113171.6-62.9170.2000108.3Q166 V168Q166-L178 HydrophobicContact CB-CB 4.26Å; Q166-L178 PolarHBondContact N-O 2.88Å; Q166-L178 WeakPolarHBondContact O-CB 3.25Å; Q166-L178 PolarHBondContact O-N 3.29Å; V168-L178 HydrophobicContact CB-CD1 4.49Å; V168-L178 HydrophobicContact CG2-CD1 3.47Å; V168-L178 VanDerWaalsContact CG2-CD1 3.47Å; V168-L178 HydrophobicContact CG2-CG 4.28Å
179Q47.6Very low43.6Very low118 Ų118115.3 Ų115.355%0.55161%0.614SS**  trans-91122.5171.6-165.5166.266.400108.5L165 Q181L165-Q179 HydrophobicContact CD2-CB 4.04Å; L165-Q179 HydrophobicContact CD2-CG 3.94Å; Q179-Q181 PolarHBondContact O-N 3.06Å
180P48.3Very low42.3Very low81 Ų81115.3 Ų115.353%0.52663%0.628SS.*  trans-67.5103.717726-31.6000109.5L164 Q182L164-P180 WeakPolarHBondContact O-CD 3.5Å; L164-P180 WeakPolarHBondContact O-CG 3.34Å; P180-Q182 PolarHBondContact O-N 2.69Å
181Q43.6Very low41.1Very low164 Ų164121.7 Ų121.777%0.76666%0.658SS**  trans-69.5107.6167.8-98.9-92.7-7.800109Q179Q179-Q181 PolarHBondContact O-N 3.06Å
182Q37.3Very low40.3Very low158 Ų158123 Ų12374%0.73866%0.658SS**  trans41.2131.1156-60.6-149.960.800120.3P180 V184P180-Q182 PolarHBondContact O-N 2.69Å; Q182-V184 PolarHBondContact O-N 2.94Å; Q182-V184 VanDerWaalsContact O-N 3.11Å
183S26.9Very low39.1Very low116 Ų116125.9 Ų125.981%0.81167%0.668SS**  trans-48.6108.5171.6370000113.3
184V28.5Very low37.8Very low115 Ų115132.5 Ų132.570%0.69769%0.689SS**  trans-82.4115.9165.6-179.80000108.3Q182 L186Q182-V184 PolarHBondContact O-N 2.94Å; Q182-V184 VanDerWaalsContact O-N 3.11Å; V184-L186 HydrophobicContact CG1-CG 4.02Å; V184-L186 PolarHBondContact O-N 3.28Å; V184-L186 VanDerWaalsContact O-N 3.11Å
185V26.3Very low37.1Very low127 Ų127139.7 Ų139.777%0.7772%0.718SS**  trans-74.394.8163.81790000107.5Q187V185-Q187 PolarHBondContact O-N 2.73Å; V185-Q187 VanDerWaalsContact O-N 3.12Å
186L29Very low36.3Very low147 Ų147141.6 Ų141.677%0.7774%0.738SS**  trans-76.792.1166.2-83.1165.6000108.5V184 Q188V184-L186 HydrophobicContact CG1-CG 4.02Å; V184-L186 PolarHBondContact O-N 3.28Å; V184-L186 VanDerWaalsContact O-N 3.11Å; L186-Q188 PolarHBondContact O-N 3.09Å; L186-Q188 VanDerWaalsContact O-N 3.1Å
187Q27.5Very low35.2Very low180 Ų180139.8 Ų139.884%0.84176%0.757SS**  trans-72.499163.1-136.2-174.8105.800107.5V185 Q189V185-Q187 PolarHBondContact O-N 2.73Å; V185-Q187 VanDerWaalsContact O-N 3.12Å; Q187-Q189 PolarHBondContact O-N 3Å; Q187-Q189 VanDerWaalsContact O-N 3.16Å
188Q28.1Very low34.3Very low172 Ų172137.2 Ų137.280%0.80476%0.761SS**  trans-75.499.6-175.8-171.9134.586.700110.2L186L186-Q188 PolarHBondContact O-N 3.09Å; L186-Q188 VanDerWaalsContact O-N 3.1Å
189Q31.7Very low33.4Very low182 Ų182140.7 Ų140.785%0.8579%0.785SS**  trans-100.2112.4163.8-124.9178.16.800108.9Q187Q187-Q189 PolarHBondContact O-N 3Å; Q187-Q189 VanDerWaalsContact O-N 3.16Å
190V27.7Very low32.6Very low128 Ų128143.8 Ų143.878%0.77680%0.8SS**  trans-74.3122.4179.1-790000110.8
191I33.4Very low31.7Very low154 Ų154144.1 Ų144.179%0.7981%0.809SS**  trans-131.5117.9162.1-60.4176.1000107.7
192P30.5Very low31.2Very low125 Ų125142 Ų14281%0.81281%0.81SS**  trans-88.1126.517932.3-27.8000110.3
193Q36.3Very low30.8Very low181 Ų181140.1 Ų140.185%0.84681%0.809SS**  trans-137.5121.9161.4-155.5-169.670.400111.2
194M30Very low30.9Very low182 Ų182141.4 Ų141.490%0.89781%0.805SS**  trans-73.5131-179.5-69.9149.1112.400111.2
195Q36.6Very low30.9Very low181 Ų181142.3 Ų142.385%0.84680%0.802SS**  trans-152.2127.2152.2-125174.4-11.600111.5
196P34.7Very low30.9Very low129 Ų129144.2 Ų144.284%0.83880%0.802SS**  trans-93135178.634.7-28.1000110.5
197G31.5Very low30.8Very low88 Ų88143.4 Ų143.491%0.90780%0.803SS**  trans103.199.8165.900000114.5
198G35.7Very low30.8Very low67 Ų67142.2 Ų142.269%0.69180%0.801SS**  trans147.9106.1169.800000111.6Q200G198-Q200 VanDerWaalsContact C-N 3.35Å; G198-Q200 PolarHBondContact O-N 3.43Å
199V30Very low30.8Very low159 Ų159138 Ų13896%0.96480%0.797SS**  trans-66.392.5167.1-86.40000108.7
200Q30.3Very low30.9Very low184 Ų184135.4 Ų135.486%0.8680%0.795SS**PPolyproline II helixtrans-100.6117.4168.4-78.9-172.8-14.200109.1G198G198-Q200 VanDerWaalsContact C-N 3.35Å; G198-Q200 PolarHBondContact O-N 3.43Å
201A30Very low31.2Very low87 Ų87137.3 Ų137.372%0.71980%0.8SS**PPolyproline II helixtrans-67.2141.8169.800000109.9V203A201-V203 PolarHBondContact O-N 3.42Å
202P32.4Very low31.1Very low120 Ų120136.3 Ų136.378%0.77980%0.804SS**PPolyproline II helixtrans-69.5120.2-18027.8-32.7000110.7
203V29.4Very low31.3Very low118 Ų118134.2 Ų134.272%0.71581%0.805SS**  trans-85.6111.8162.6167.10000107.3A201A201-V203 PolarHBondContact O-N 3.42Å
204I29.6Very low31Very low143 Ų143129.2 Ų129.273%0.73380%0.802SS**  trans-93.6104171.9-59.6-179.6000107.9
205Q27.3Very low31.1Very low135 Ų135128.9 Ų128.963%0.63180%0.802SS**  trans-101103.6173.6-153.5108.182.400108.3
206Q27.2Very low30.9Very low166 Ų166125.6 Ų125.678%0.77680%0.799SS**  trans-84.7109.7169.1-82.7-176.9500109.3
207V26.9Very low31Very low130 Ų130125.8 Ų125.879%0.78880%0.8SS**  trans-92.9112.8166161.20000107.5
208L28.4Very low30.9Very low155 Ų155130 Ų13081%0.81280%0.796SS**  trans-96.6113.2174.4-130.574.2000109
209A28Very low30.5Very low85 Ų85133.2 Ų133.270%0.70280%0.803SS**PPolyproline II helixtrans-90.6129.4171.600000109.8
210P32.8Very low30.3Very low127 Ų127129 Ų12983%0.82579%0.791SS**PPolyproline II helixtrans-78.5130.7178.228.9-30.3000111.3
211L33.4Very low30.1Very low168 Ų168126.8 Ų126.888%0.8879%0.79SS**PPolyproline II helixtrans-84.6142.2170.3-69.5170.3000110.5
212P32.7Very low30Very low132 Ų132130 Ų13086%0.85779%0.794SS**PPolyproline II helixtrans-86.2123.7-176.432.1-30.3000111.9
213G33.9Very low29.9Very low81 Ų81131.7 Ų131.784%0.83579%0.794SS**  trans172.492.217300000110.4
214G30.2Very low29.7Very low76 Ų76130.1 Ų130.178%0.78478%0.779SS**  trans-84.6156.5-15900000117.5
215I32.1Very low29.9Very low176 Ų176128.7 Ų128.790%0.90378%0.779SS**  -148.8143.5129.844.2172.6000107.3
216S33.5Very low30.1Very low111 Ų111128 Ų12878%0.77678%0.776SS**  trans-63.1140.9-160.6-41.50000115.7Q218S216-Q218 PolarHBondContact O-N 3.21Å
217P35.2Very low30.3Very low133 Ų133125.6 Ų125.686%0.86477%0.765SS**  trans-83108.1171.932.2-29000110
218Q29Very low30.6Very low177 Ų177123.9 Ų123.983%0.82775%0.75SS**  trans-95.6110158.2-78.8-100.6-14.400107.1S216S216-Q218 PolarHBondContact O-N 3.21Å
219T28.1Very low30.7Very low135 Ų135121.1 Ų121.183%0.82874%0.735SS**SBendtrans59.282.4154.4-25.50000116.3
220G26Very low31Very low70 Ų70123.3 Ų123.372%0.72273%0.729SS**  trans-167.7126.5170.400000111.7I222G220-I222 PolarHBondContact O-N 3Å
221V27.1Very low30.8Very low137 Ų137122.1 Ų122.183%0.8372%0.72SS**  trans-55124.5-171177.70000112.2I223V221-I223 PolarHBondContact O-N 2.92Å
222I26.7Very low30.9Very low156 Ų156117.4 Ų117.480%0.871%0.712SS**  trans-70.2110.6169.6-60.9180000108.2G220 Q224G220-I222 PolarHBondContact O-N 3Å; I222-Q224 PolarHBondContact O-N 3.38Å
223I29.6Very low31Very low155 Ų155119.8 Ų119.880%0.79572%0.718SS**  trans-82.1106169.7-57.9-171.7000108V221V221-I223 PolarHBondContact O-N 2.92Å
224Q27Very low30.9Very low85 Ų85124 Ų12440%0.39771%0.713SS.*  trans-66.2143.6170.3-102.5-159.58700111.1I222 Q226 T240I222-Q224 PolarHBondContact O-N 3.38Å; Q224-Q226 PolarHBondContact O-N 3.02Å; Q224-Q226 VanDerWaalsContact O-N 3.16Å; Q224-T240 VanDerWaalsContact CD-O 3.31Å; Q224-T240 PolarHBondContact NE2-O 3.2Å; Q224-T240 PolarHBondContact OE1-O 3.11Å
225P32.2Very low31Very low112 Ų112125 Ų12573%0.72770%0.704SS**  trans-65.9114.7170.527.9-32.3000109.8
226Q31.5Very low30.9Very low120 Ų120122.6 Ų122.656%0.56169%0.689SS**  trans-82.6126.4171.5-75.5177.945.900109.7Q224Q224-Q226 PolarHBondContact O-N 3.02Å; Q224-Q226 VanDerWaalsContact O-N 3.16Å
227Q32Very low30.9Very low117 Ų117121.5 Ų121.555%0.54768%0.678SS.*EExtended strand (participates in β ladder)trans-78.6129.9164.1-83.4-167.280.500108.8
228I33.9Very low30.8Very low94 Ų94118.6 Ų118.648%0.48265%0.654SS.*EExtended strand (participates in β ladder)trans-104.8110.7174.2-45.2169.4000107F230 T235I228-F230 HydrophobicContact CB-CD2 4.35Å; I228-F230 HydrophobicContact CB-CE2 3.67Å; I228-F230 HydrophobicContact CB-CZ 4.06Å; I228-F230 HydrophobicContact CG2-CD1 4.34Å; I228-F230 HydrophobicContact CG2-CD2 3.86Å; I228-F230 HydrophobicContact CG2-CE1 3.79Å; I228-F230 HydrophobicContact CG2-CE2 3.22Å; I228-F230 HydrophobicContact CG2-CG 4.4Å; I228-F230 HydrophobicContact CG2-CZ 3.19Å; I228-T235 HydrophobicContact CG2-CG2 4.02Å
229L30.4Very low31.1Very low96 Ų96114.6 Ų114.650%0.50364%0.643SS.*EExtended strand (participates in β ladder)trans-96.8117.6175-168.971.7000108.1T231 I238L229-T231 HydrophobicContact CD2-CG2 4.41Å; L229-T231 HydrophobicContact CG-CG2 4.32Å; L229-I238 HydrophobicContact CB-CD1 4.27Å; L229-I238 HydrophobicContact CD2-CD1 4.3Å
230F34Very low31.4Very low131 Ų131111 Ų11158%0.57562%0.622SS**EExtended strand (participates in β ladder)trans-105.2115.1177.9-63-87.3000109.8I228 T235I228-F230 HydrophobicContact CB-CD2 4.35Å; I228-F230 HydrophobicContact CB-CE2 3.67Å; I228-F230 HydrophobicContact CB-CZ 4.06Å; I228-F230 HydrophobicContact CG2-CD1 4.34Å; I228-F230 HydrophobicContact CG2-CD2 3.86Å; I228-F230 HydrophobicContact CG2-CE1 3.79Å; I228-F230 HydrophobicContact CG2-CE2 3.22Å; I228-F230 HydrophobicContact CG2-CG 4.4Å; I228-F230 HydrophobicContact CG2-CZ 3.19Å; F230-T235 HydrophobicContact CD1-CG2 3.94Å; F230-T235 HydrophobicContact CE1-CG2 3.37Å; F230-T235 WeakPolarHBondContact CE1-OG1 3.45Å; F230-T235 HydrophobicContact CZ-CG2 4.13Å
231T28.2Very low31.8Very low102 Ų102113.3 Ų113.363%0.62662%0.622SS**  trans-119.4102.6171.381.10000108.5L229L229-T231 HydrophobicContact CD2-CG2 4.41Å; L229-T231 HydrophobicContact CG-CG2 4.32Å
232G35.7Very low32.1Very low70 Ų70112.7 Ų112.772%0.72262%0.618SS**SBendtrans59.8-159.8-178.900000113.9K234G232-K234 PolarHBondContact O-N 3.33Å
233N33.9Very low32.4Very low182 Ų182110 Ų11097%0.97362%0.619SS**SBendtrans-62.328.5-178.1-81.936.7000115.6
234K32.4Very low32.6Very low168 Ų168106.8 Ų106.873%0.7362%0.615SS**  trans-137.7120.4177.7-67.3-168.4165.1-175.20110.5G232G232-K234 PolarHBondContact O-N 3.33Å
235T33Very low33.2Very low98 Ų98109 Ų10960%0.60164%0.637SS**EExtended strand (participates in β ladder)trans-86.8120.2168.3-52.90000108.8I228 F230I228-T235 HydrophobicContact CG2-CG2 4.02Å; F230-T235 HydrophobicContact CD1-CG2 3.94Å; F230-T235 HydrophobicContact CE1-CG2 3.37Å; F230-T235 WeakPolarHBondContact CE1-OG1 3.45Å; F230-T235 HydrophobicContact CZ-CG2 4.13Å
236Q30.1Very low33.5Very low125 Ų125108 Ų10858%0.58464%0.639SS**EExtended strand (participates in β ladder)trans-114.4118.6171.8-173.8179.568.700108.8I238Q236-I238 HydrophobicContact CG-CG1 4.16Å
237V33.1Very low33.8Very low89 Ų89108.3 Ų108.354%0.53965%0.651SS.*EExtended strand (participates in β ladder)trans-83.8120.2169-71.50000108.4
238I33.5Very low34Very low72 Ų72107.1 Ų107.137%0.36966%0.661SS.*EExtended strand (participates in β ladder)trans-107.7108.4176.6-51.9174.1000107.2L229 Q236 T240L229-I238 HydrophobicContact CB-CD1 4.27Å; L229-I238 HydrophobicContact CD2-CD1 4.3Å; Q236-I238 HydrophobicContact CG-CG1 4.16Å; I238-T240 PolarHBondContact O-N 3.44Å
239P33.9Very low34.3Very low92 Ų92111.8 Ų111.860%0.59768%0.681SS**  trans-69.6116.6170.526.2-28.9000108.7T241P239-T241 PolarHBondContact O-N 3.03Å
240T34.7Very low35Very low61 Ų61111.9 Ų111.937%0.37470%0.695SS.*  trans-75.5110.8170.2-430000107.4Q224 I238Q224-T240 VanDerWaalsContact CD-O 3.31Å; Q224-T240 PolarHBondContact NE2-O 3.2Å; Q224-T240 PolarHBondContact OE1-O 3.11Å; I238-T240 PolarHBondContact O-N 3.44Å
241T35.5Very low35.2Very low118 Ų118111.4 Ų111.472%0.72471%0.705SS**  trans-94.5108.2168.453.40000108.1P239 A243P239-T241 PolarHBondContact O-N 3.03Å; T241-A243 PolarHBondContact O-N 2.84Å
242V33.2Very low36.1Very low123 Ų123115.5 Ų115.575%0.74572%0.72SS**  trans-74.7104.5167.2-74.10000108.7A244V242-A244 PolarHBondContact O-N 2.92Å
243A31.9Very low36.3Very low99 Ų99118.1 Ų118.182%0.81872%0.724SS**  trans-78.5115175.200000109.9T241T241-A243 PolarHBondContact O-N 2.84Å
244A34.2Very low36.6Very low88 Ų88114.1 Ų114.173%0.72772%0.716SS**PPolyproline II helixtrans-77.6143.7164.900000109.8V242 A246V242-A244 PolarHBondContact O-N 2.92Å; A244-A246 PolarHBondContact O-N 2.75Å
245P39.9Very low37Very low131 Ų131111.4 Ų111.485%0.85173%0.725SS**PPolyproline II helixtrans-75.7121.6-172.230-32000111
246A37.7Very low37.2Very low92 Ų92110.3 Ų110.376%0.7673%0.733SS**PPolyproline II helixtrans-92.6135.1167.200000110A244A244-A246 PolarHBondContact O-N 2.75Å
247P39.5Very low37.7Very low127 Ų127113.3 Ų113.383%0.82575%0.747SS**PPolyproline II helixtrans-76.7147.6168.631.5-29.6000110.6
248A35Very low38.2Very low91 Ų91118.5 Ų118.575%0.75277%0.766SS**PPolyproline II helixtrans-54.1145.7-175.400000115.3
249Q40.6Very low38.6Very low193 Ų193123.7 Ų123.790%0.90279%0.788SS**  -175.5121.9122.4-97.5167.520.900113.3
250A44.5Very low39Very low97 Ų97124.3 Ų124.380%0.80279%0.792SS**  trans37.5132.5149.300000123.3
251P38.3Very low39Very low122 Ų122131.2 Ų131.279%0.79282%0.821SS**  trans-102.4154178.238.6-30.7000114
252M48.3Very low39.2Very low188 Ų188130.1 Ų130.193%0.92682%0.823SS**  trans-150.6139.8148.9-74.9-158.2-67.500111
253P40.1Very low39.7Very low125 Ų125133.5 Ų133.581%0.81283%0.831SS**  trans-108.1155.6-176.238.9-29.9000113.4
254A39.5Very low39.9Very low98 Ų98135 Ų13581%0.8183%0.832SS**  trans176.7116.9141.100000113.7
255A39.7Very low40.2Very low111 Ų111135 Ų13592%0.91783%0.832SS**  trans45.6129.6131.900000123.2
256G38Very low40.3Very low75 Ų75136.8 Ų136.877%0.77383%0.829SS**  trans154.170.6155.900000115.1
257Q40.9Very low40.5Very low187 Ų187140.6 Ų140.687%0.87483%0.831SS**  20.7119.2119.5-76.5-171.2-12.500118.2
258Q43.4Very low40.5Very low198 Ų198144 Ų14493%0.92584%0.836SS**  178.1140.5118.5-94.9167.81700112.7
259Q41.2Very low40.7Very low182 Ų182144.3 Ų144.385%0.8584%0.838SS**  trans-142.8178.8177.9-150.9-165.2-10.200105.7
260P42.7Very low40.8Very low105 Ų105140.2 Ų140.268%0.68283%0.829SS**  -117179.8-78.235.2-19.7000113
261Q35.7Very low41.1Very low206 Ų206143.4 Ų143.496%0.96383%0.832SS**  trans-149.8142.7159-123.5170.98.400113.6
262A39.6Very low41.6Very low94 Ų94144 Ų14478%0.77783%0.832SS**  trans-102.9165.7-166.300000113.7
263Q42Very low41.8Very low194 Ų194142.7 Ų142.791%0.90783%0.828SS**  trans-157.8132.6156.3-102.7173.417.600111
264P36.9Very low42.6Very low130 Ų130145.8 Ų145.884%0.84483%0.832SS**  trans-119.9153.7162.336.6-23.8000112.8
265A40.1Very low43.4Very low88 Ų88147.2 Ų147.273%0.72783%0.831SS**  trans-146.5112.5169.100000109
266Q42.6Very low43.8Very low170 Ų170148.9 Ų148.979%0.79482%0.824SS**  70102.7100.6-77.9-174.5-30.900114.4
267Q41.2Very low44.3Very low171 Ų171148.5 Ų148.580%0.79982%0.82SS**  75.1116.192.6-83.4-178.47.500114.9
268Q40.7Very low44.8Very low199 Ų199145.9 Ų145.993%0.9382%0.817SS**  trans180119.7131.3-98164.634.300111.6
269A39Very low45.4Very low97 Ų97139.9 Ų139.980%0.80281%0.808SS**  trans-117.7145.6145.600000105.2
270P42Very low45.8Very low108 Ų108137.9 Ų137.970%0.70180%0.803SS**  -156168.594.634.5-13.4000114.7
271L50.4Low46.2Very low164 Ų164138.4 Ų138.486%0.85981%0.805SS**  158110.1124.9-82.7159.5000110
272V49.9Very low47Very low133 Ų133133.9 Ų133.981%0.80680%0.796SS**  trans-72.6135165.5-74.70000109.6
273L53.3Low47.4Very low161 Ų161134.5 Ų134.584%0.84380%0.795SS**  trans-121104.6162.5-13686.5000106.9
274Q55.4Low48Very low191 Ų191133.6 Ų133.689%0.89379%0.791SS**  trans-88122.3167.2-69.1-178.3-50.700107.5
275V57.1Low48.8Very low128 Ų128135.8 Ų135.878%0.77679%0.789SS**  trans-104.4105.6168.9169.60000106.6
276D47.2Very low49.6Very low145 Ų145138.8 Ų138.878%0.77579%0.793SS**  trans-73.2128.8162.6-176.629.8000108.2
277G50.2Low50.2Low68 Ų68139.1 Ų139.170%0.70180%0.795SS**  trans-137.380.4-173.500000110.1
278T50.2Low50.9Low132 Ų132138.7 Ų138.781%0.8180%0.798SS**  trans-84.9106.4166.259.10000109.5
279G55.5Low51.5Low71 Ų71138 Ų13873%0.73280%0.795SS**  trans-155.5140.4163.500000104.8
280D50.8Low52.3Low140 Ų140142.2 Ų142.275%0.74980%0.798SS**  cis-168.8148.131-16125.6000106.2
281T50.8Low52.7Low116 Ų116144.6 Ų144.671%0.71280%0.8SS**  trans33.8146.9139.968.50000120.1
282S52.2Low52.8Low112 Ų112144.2 Ų144.278%0.78380%0.798SS**  cis-169148.416.2-164.60000107.2
283S48.9Very low53.2Low107 Ų107146.6 Ų146.675%0.74879%0.794SS**  trans-85.7141.316655.10000111.3
284E54.1Low53.4Low175 Ų175145.3 Ų145.382%0.81879%0.788SS**  trans-163.2114.4147.5-68.2-158.8137.800106
285E54.2Low53.2Low175 Ų175143.4 Ų143.482%0.81878%0.784SS**  66.5119.298-72-175.6-17800114
286D56.7Low53.5Low151 Ų151144.3 Ų144.381%0.80779%0.785SS**  trans-17992.6152.6-88.4-21.9000106.4
287E55.6Low54Low178 Ų178145.4 Ų145.483%0.83279%0.785SS**  98.3103.989-87.4-172.8179.900111
288D54.1Low54.5Low162 Ų162151 Ų15187%0.86679%0.793SS**  trans-70.6129.3173.3-55.9-60.4000110.5
289E54.1Low54.8Low183 Ų183152.6 Ų152.686%0.85579%0.791SS**  trans-124.692.2160.1-82-174.5166.700108.5
290E55.3Low54.8Low187 Ų187157.1 Ų157.187%0.87480%0.799SS**  trans-83110.4163.8-70.8-88.4175.900107.6
291E50.3Low55.2Low157 Ų157159.1 Ų159.173%0.73480%0.801SS**  trans-93.3103.3168.5-76.2-165.3167.100110Y293E291-Y293 HydrophobicContact CB-CD2 4.3Å; E291-Y293 HydrophobicContact CB-CE2 4.22Å; E291-Y293 HydrophobicContact CG-CE2 4.44Å
292D52.9Low55.4Low156 Ų156162.5 Ų162.583%0.83481%0.808SS**  trans-80.4118.3169.9-1492.6000108.5
293Y58.7Low55.5Low183 Ų183167 Ų16772%0.71881%0.814SS**  trans-143.6107.7168-76.1-72.6000112.6E291E291-Y293 HydrophobicContact CB-CD2 4.3Å; E291-Y293 HydrophobicContact CB-CE2 4.22Å; E291-Y293 HydrophobicContact CG-CE2 4.44Å
294D57.3Low55.4Low135 Ų135170 Ų17072%0.72282%0.822SS**  trans49.393.9144-69.3-30.3000118.7D296D294-D296 PolarHBondContact O-N 3.22Å
295D52.3Low55.2Low151 Ų151165.3 Ų165.381%0.80782%0.82SS**  trans-72.395.2150.1-171.128.4000108.9
296D62.5Low55Low147 Ų147162 Ų16279%0.78682%0.822SS**  trans-91.9103.6167.2-91.8-31.8000109.3D294 E298D294-D296 PolarHBondContact O-N 3.22Å; D296-E298 PolarHBondContact O-N 3.03Å
297E56.6Low54.7Low167 Ų167163.8 Ų163.878%0.7883%0.826SS**  trans-57.5118.6164.5-67.4178.6153.600110.8
298E60.7Low54.5Low185 Ų185163.2 Ų163.286%0.86483%0.828SS**  trans-124.7102.4153.5-82.1-88.815900107.9D296D296-E298 PolarHBondContact O-N 3.03Å
299E56.7Low54.7Low167 Ų167159.1 Ų159.178%0.7883%0.825SS**  trans-53.5129.8162.1-73.9-176.7125.500110.1
300D57.3Low54.5Low165 Ų165157.8 Ų157.888%0.88282%0.819SS**  trans-160.8106.3131.2-97.3-27.2000109.7
301K58Low54.5Low183 Ų183155.5 Ų155.580%0.79682%0.817SS**  trans-72.9165.4172-75174.1177.2155.20110.5
302E55.5Low54.7Low186 Ų186156.2 Ų156.287%0.86982%0.821SS**  trans93.985.5158.7-51-174.2-176.400116.4
303K53.3Low54.9Low208 Ų208157.3 Ų157.390%0.90482%0.82SS**  -154.2105.8128-150.8173.2-179.7-178.80112.4G305K303-G305 PolarHBondContact O-N 3.01Å
304D48.4Very low54.8Low170 Ų170156.5 Ų156.591%0.90982%0.823SS**  trans-55.2126.4165.4-65.6-50.6000111
305G49.9Very low55Low75 Ų75153.9 Ų153.977%0.77381%0.814SS**  trans-153.289.4175.700000109.1K303K303-G305 PolarHBondContact O-N 3.01Å
306A48.7Very low55.6Low106 Ų106154.2 Ų154.288%0.87682%0.815SS**  trans-54.8128.4177.500000113.2
307E51.4Low55.8Low189 Ų189152.8 Ų152.888%0.88381%0.807SS**  trans-157.8123.2131.1-148.9165.5-175.800109.4G309E307-G309 PolarHBondContact O-N 2.85Å
308D51.3Low56.2Low165 Ų165149.6 Ų149.688%0.88280%0.803SS**  trans-68.8107.2-178.9-156.17.2000108.5
309G56.7Low56.7Low77 Ų77147.5 Ų147.579%0.79479%0.793SS**  trans-141.342.5-172.200000112.5E307E307-G309 PolarHBondContact O-N 2.85Å
310Q51.5Low57.4Low154 Ų154145.1 Ų145.172%0.7279%0.786SS**  trans-14491.9171.6-169.9179.727.500110
311V54.8Low58.2Low139 Ų139145.1 Ų145.184%0.84279%0.786SS**  trans-161.681.3155.1-82.20000110
312E53.7Low59Low173 Ų173141.5 Ų141.581%0.80878%0.779SS**  trans-175.591.1137.3-100.9176.4-157.200106.2E314 P315E312-E314 PolarHBondContact O-N 2.77Å; E312-E314 VanDerWaalsContact O-N 3.17Å; E312-P315 WeakPolarHBondContact O-CD 3.43Å
313E58.1Low59.8Low178 Ų178137.2 Ų137.283%0.83277%0.769SS**SBendtrans-61.3112.2164.1-67.2176.9162.600106.8
314E55.7Low60.7Low167 Ų167133 Ų13378%0.7876%0.757SS**  trans92.177.4175.3-56-176.6165.600119.1E312E312-E314 PolarHBondContact O-N 2.77Å; E312-E314 VanDerWaalsContact O-N 3.17Å
315P61.7Low61.5Low80 Ų80132.8 Ų132.852%0.51975%0.75SS.*  trans-108.282139.932.9-28.6000109.8E312 N317 S318E312-P315 WeakPolarHBondContact O-CD 3.43Å; P315-N317 PolarHBondContact O-N 2.84Å; P315-S318 PolarHBondContact O-N 2.78Å
316L64.6Low62.2Low158 Ų158138.1 Ų138.183%0.82776%0.755SS**THydrogen-bonded Turntrans-6620.9171-65.1175.4000113.5
317N66.5Low63Low117 Ų117134.2 Ų134.263%0.62673%0.725SS**THydrogen-bonded Turntrans-127.610.4-173.1-164.342.1000113.2P315 D320P315-N317 PolarHBondContact O-N 2.84Å; N317-D320 VanDerWaalsContact OD1-CB 3.26Å; N317-D320 WeakPolarHBondContact OD1-CB 3.15Å; N317-D320 PolarHBondContact OD1-OD2 2.8Å
318S66.7Low63.6Low100 Ų100132.3 Ų132.370%0.69972%0.717SS**SBendtrans-87.7-10.6169.454.10000113.4P315P315-S318 PolarHBondContact O-N 2.78Å
319E70.5Confident64.1Low140 Ų140133.7 Ų133.765%0.65472%0.718SS**SBendtrans-121.120179.1-95.217174.900112.3D321 V322E319-D321 PolarHBondContact O-N 3.32Å; E319-V322 HydrophobicContact CB-CG1 3.93Å; E319-V322 HydrophobicContact CG-CG1 3.87Å; E319-V322 VanDerWaalsContact O-CG1 3.29Å; E319-V322 WeakPolarHBondContact O-CG1 3.3Å; E319-V322 WeakPolarHBondContact O-CG2 3.38Å; E319-V322 PolarHBondContact O-N 2.9Å
320D71.9Confident64.5Low118 Ų118137.2 Ų137.263%0.63172%0.718SS**THydrogen-bonded Turntrans-71.812.6-174.9-16434.8000115.2N317N317-D320 VanDerWaalsContact OD1-CB 3.26Å; N317-D320 WeakPolarHBondContact OD1-CB 3.15Å; N317-D320 PolarHBondContact OD1-OD2 2.8Å
321D74.2Confident65.1Low164 Ų164137.3 Ų137.388%0.87772%0.716SS**THydrogen-bonded Turntrans-122.516.1174.4-79.7-35000111.9E319E319-D321 PolarHBondContact O-N 3.32Å
322V73.2Confident65.5Low108 Ų108138.7 Ų138.766%0.65572%0.718SS**  trans-88.8-12-173.5-61.10000115.5E319E319-V322 HydrophobicContact CB-CG1 3.93Å; E319-V322 HydrophobicContact CG-CG1 3.87Å; E319-V322 VanDerWaalsContact O-CG1 3.29Å; E319-V322 WeakPolarHBondContact O-CG1 3.3Å; E319-V322 WeakPolarHBondContact O-CG2 3.38Å; E319-V322 PolarHBondContact O-N 2.9Å
323S72.8Confident66.3Low95 Ų95135.7 Ų135.766%0.66471%0.712SS**SBendtrans-86.4122.9172.658.60000110.1
324D72.5Confident67.2Low121 Ų121133.8 Ų133.865%0.64770%0.703SS**  trans-66.5154.9169.157.8-34.9000111.6E326D324-E326 PolarHBondContact O-N 3Å; D324-E326 VanDerWaalsContact O-N 3.09Å
325E66.2Low68.9Low164 Ų164128.8 Ų128.877%0.76668%0.682SS**  trans-46.1111.1-177-175.7173.7-179.400112G327E325-G327 PolarHBondContact O-N 2.88Å
326E64.5Low70.4Confident188 Ų188128.4 Ų128.488%0.87968%0.678SS**THydrogen-bonded Turntrans-551.7176.9-66.6-174.315600114.5D324D324-E326 PolarHBondContact O-N 3Å; D324-E326 VanDerWaalsContact O-N 3.09Å
327G65.7Low71.8Confident24 Ų24124.5 Ų124.525%0.24766%0.66CS.*THydrogen-bonded Turntrans-82.1-10.9-176.600000115.8E325 E329 L330 F331E325-G327 PolarHBondContact O-N 2.88Å; G327-E329 VanDerWaalsContact C-N 3.32Å; G327-E329 PolarHBondContact O-N 3.29Å; G327-L330 PolarHBondContact O-N 3.02Å; G327-F331 WeakPolarHBondContact O-CD2 3.41Å; G327-F331 WeakPolarHBondContact O-CE2 3.31Å
328Q62.7Low73.3Confident149 Ų149123.5 Ų123.570%0.69666%0.658SS**G310 helixtrans-70.9-25.7-176.2-67.9-174.713.900113.5
329E62.8Low74.7Confident194 Ų194121 Ų12191%0.90764%0.641SS**G310 helixtrans-83.2-11.2175.9-62.7-167.6170.900113.6G327 F331G327-E329 VanDerWaalsContact C-N 3.32Å; G327-E329 PolarHBondContact O-N 3.29Å; E329-F331 VanDerWaalsContact C-N 3.31Å; E329-F331 PolarHBondContact O-N 3.12Å
330L65.3Low76.1Confident151 Ų151119.2 Ų119.279%0.79163%0.632SS**G310 helixtrans-77.9-17.7-174.6-162.768.9000112.9G327G327-L330 PolarHBondContact O-N 3.02Å
331F63.3Low77.3Confident156 Ų156121.7 Ų121.768%0.68463%0.634SS**SBendtrans-85.9131.3-178.9-63.8-77.3000111.4G327 E329 T333G327-F331 WeakPolarHBondContact O-CD2 3.41Å; G327-F331 WeakPolarHBondContact O-CE2 3.31Å; E329-F331 VanDerWaalsContact C-N 3.31Å; E329-F331 PolarHBondContact O-N 3.12Å; F331-T333 PolarHBondContact O-N 3.34Å
332D64.1Low78.4Confident167 Ų167118 Ų11889%0.89361%0.614SS**  trans-48.5108.3166.1-69.8-46.1000109E334D332-E334 PolarHBondContact O-N 2.93Å
333T69.1Low79.5Confident111 Ų111119.3 Ų119.368%0.68161%0.611SS**  trans-69.9118.5-178.7-58.80000108.7F331 N335F331-T333 PolarHBondContact O-N 3.34Å; T333-N335 VanDerWaalsContact C-N 3.29Å; T333-N335 WeakPolarHBondContact CG2-O 3.34Å; T333-N335 PolarHBondContact O-N 2.81Å
334E78.2Confident80.7Confident137 Ų137118.3 Ų118.364%0.6460%0.598SS**SBendtrans-63.3-35.5-178.5-179.1177.8-161.800112.6D332D332-E334 PolarHBondContact O-N 2.93Å
335N90.5Very high81.9Confident62 Ų62116.9 Ų116.933%0.33259%0.587SS.*SBendtrans-122.5119.1-174.5-59.2-75.2000110T333 N361 L362 N363T333-N335 VanDerWaalsContact C-N 3.29Å; T333-N335 WeakPolarHBondContact CG2-O 3.34Å; T333-N335 PolarHBondContact O-N 2.81Å; N335-N361 CarbonylContact C-O 3.59Å; N335-N361 VanDerWaalsContact CA-O 3.3Å; N335-N361 WeakPolarHBondContact CA-O 3.29Å; N335-L362 HydrophobicContact CB-CD2 3.97Å; N335-L362 VanDerWaalsContact OD1-CA 3.25Å; N335-L362 WeakPolarHBondContact OD1-CA 3.38Å; N335-N363 PolarHBondContact OD1-N 2.99Å
336V92.9Very high83.4Confident73 Ų73116.3 Ų116.344%0.44258%0.577SS.*EExtended strand (participates in β ladder)trans-122.2139.7-177.7610000110.9V338 M360 N361V336-V338 HydrophobicContact CG2-CG2 4.2Å; V336-M360 CarbonylContact O-C 3.6Å; V336-M360 WeakPolarHBondContact O-CA 3.37Å; V336-N361 HydrophobicContact CG1-CB 3.86Å; V336-N361 PolarHBondContact N-O 3.32Å; V336-N361 PolarHBondContact O-N 2.89Å
337V95.2Very high84.9Confident75 Ų75110.5 Ų110.546%0.45556%0.558SS.*EExtended strand (participates in β ladder)trans-123.3122.9174.6177.20000108.5M360 L362 F369V337-M360 HydrophobicContact CB-CG 4.3Å; V337-M360 HydrophobicContact CG1-CG 3.89Å; V337-M360 HydrophobicContact CG1-SD 4.48Å; V337-M360 HydrophobicContact CG2-CB 4.07Å; V337-M360 HydrophobicContact CG2-CG 3.82Å; V337-M360 HydrophobicContact CG2-SD 4.18Å; V337-L362 HydrophobicContact CG2-CD2 4.47Å; V337-F369 HydrophobicContact CG1-CE1 4.23Å
338V96.5Very high86.4Confident97 Ų97118 Ų11859%0.58858%0.584SS**EExtended strand (participates in β ladder)trans-116.8121.5174.7-175.70000107.4V336 G358 I359V336-V338 HydrophobicContact CG2-CG2 4.2Å; V338-G358 CarbonylContact O-C 3.56Å; V338-G358 VanDerWaalsContact O-CA 3.26Å; V338-G358 WeakPolarHBondContact O-CA 3.3Å; V338-I359 PolarHBondContact N-O 3.38Å; V338-I359 PolarHBondContact O-N 3.28Å
339C97.6Very high88Confident48 Ų48113.9 Ų113.932%0.32457%0.566SS.*EExtended strand (participates in β ladder)trans-157.3173-178.665.70000111.7G358 F369C339-G358 VanDerWaalsContact CB-CA 3.46Å; C339-F369 HydrophobicContact CB-CE1 4.35Å; C339-F369 HydrophobicContact CB-CE2 4.06Å; C339-F369 HydrophobicContact CB-CZ 3.49Å; C339-F369 VanDerWaalsContact CB-CZ 3.49Å
340Q98.2Very high89.6Confident102 Ų102109.9 Ų109.948%0.47755%0.546SS..EExtended strand (participates in β ladder)trans-97154.5168.5-64.9174.564.400109.9L355 K356 D357Q340-L355 CarbonylContact O-C 3.59Å; Q340-L355 WeakPolarHBondContact O-CA 3.25Å; Q340-K356 HydrophobicContact CB-CG 3.76Å; Q340-K356 PolarHBondContact N-O 3.45Å; Q340-K356 PolarHBondContact O-N 2.94Å; Q340-K356 VanDerWaalsContact O-O 3.07Å; Q340-D357 VanDerWaalsContact NE2-CB 3.35Å; Q340-D357 PolarHBondContact NE2-OD2 2.85Å
341Y97.6Very high91.2Very high169 Ų169106.6 Ų106.666%0.66352%0.523SS*.EExtended strand (participates in β ladder)trans-99.1149.7169.666.9-87.7000110.7I344Y341-I344 HydrophobicContact CD2-CG1 4.15Å; Y341-I344 HydrophobicContact CG-CD1 4.44Å; Y341-I344 HydrophobicContact CG-CG1 4.28Å
342D97.7Very high92.8Very high88 Ų88104 Ų10447%0.47151%0.511SS..EExtended strand (participates in β ladder)trans-110.2-46.2174-150.928.7000110.3H354 K356D342-H354 HydrophobicContact CB-CB 4.28Å; D342-H354 PolarHBondContact N-O 2.77Å; D342-K356 HydrophobicContact CB-CD 4.2Å; D342-K356 IonicContact OD1-NZ 3.35Å; D342-K356 PolarHBondContact OD1-NZ 3.41Å
343K97.2Very high94.4Very high135 Ų13599 Ų9959%0.58748%0.481SS*.EExtended strand (participates in β ladder)trans-151127176.1-175.3176.1-64.2-168.10110.6H354K343-H354 HydrophobicContact CB-CB 4Å; K343-H354 PolarHBondContact N-O 3.48Å; K343-H354 VanDerWaalsContact N-O 3.13Å; K343-H354 WeakPolarHBondContact O-CB 3.01Å; K343-H354 PolarHBondContact O-N 3.18Å
344I97.6Very high95.8Very high74 Ų7497 Ų9738%0.37946%0.464SS..EExtended strand (participates in β ladder)trans-110.2130.9171.9-52.8-49.3000107.9Y341 W351 F353 L355Y341-I344 HydrophobicContact CD2-CG1 4.15Å; Y341-I344 HydrophobicContact CG-CD1 4.44Å; Y341-I344 HydrophobicContact CG-CG1 4.28Å; I344-W351 HydrophobicContact CG2-CE3 4.07Å; I344-W351 HydrophobicContact CG2-CZ3 3.98Å; I344-F353 HydrophobicContact CD1-CB 4.11Å; I344-F353 HydrophobicContact CD1-CD1 4.04Å; I344-F353 HydrophobicContact CG2-CD1 4.24Å; I344-L355 HydrophobicContact CD1-CD2 4.18Å
345H96.9Very high96.7Very high90 Ų9092.5 Ų92.542%0.41745%0.445SS..EExtended strand (participates in β ladder)trans-133.9138.3-179.4177.979.2000110.7S347 W351 K352H345-S347 PolarHBondContact NE2-OG 2.85Å; H345-W351 CarbonylContact O-C 3.55Å; H345-K352 HydrophobicContact CB-CB 4.36Å; H345-K352 PolarHBondContact N-O 2.88Å; H345-K352 PolarHBondContact O-N 2.75Å
346R96.9Very high97.1Very high152 Ų15292.4 Ų92.457%0.57444%0.441SS*.EExtended strand (participates in β ladder)trans-128.1136.8176.8-172-173.973.2109.2-10.6110.2K348 K350 W351R346-K348 PolarHBondContact NH1-O 2.97Å; R346-K350 CarbonylContact C-O 3.58Å; R346-K350 WeakPolarHBondContact CA-O 3.31Å; R346-W351 HydrophobicContact CB-CD2 4.17Å; R346-W351 HydrophobicContact CB-CE3 4.03Å; R346-W351 HydrophobicContact CB-CH2 4.47Å; R346-W351 HydrophobicContact CB-CZ3 4.18Å; R346-W351 HydrophobicContact CG-CD2 3.95Å; R346-W351 HydrophobicContact CG-CE3 4.3Å; R346-W351 HydrophobicContact CG-CG 4.42Å; R346-W351 HydrophobicContact CG-CH2 4.45Å; R346-W351 HydrophobicContact CG-CZ2 4.11Å
347S96.8Very high97.2Very high66 Ų6693.4 Ų93.446%0.46244%0.444SS..EExtended strand (participates in β ladder)trans-134.4107.7170.6-79.80000109H345 N349 K350H345-S347 PolarHBondContact NE2-OG 2.85Å; S347-N349 PolarHBondContact O-N 3.39Å; S347-K350 PolarHBondContact N-O 3.08Å; S347-K350 WeakPolarHBondContact O-CB 3.4Å; S347-K350 PolarHBondContact O-N 3.11Å
348K96.4Very high97.3Very high183 Ų18390 Ų9080%0.79642%0.424SS*.THydrogen-bonded Turntrans55.8-119.2-169.7-58.9178.8177.9177.40111.1R346R346-K348 PolarHBondContact NH1-O 2.97Å
349N96.6Very high97.2Very high61 Ų6189.6 Ų89.633%0.32642%0.418SS..THydrogen-bonded Turntrans-92.20.9176.969.8-31000113.2S347 E377 W378S347-N349 PolarHBondContact O-N 3.39Å; N349-E377 HydrophobicContact CB-CG 4.45Å; N349-E377 VanDerWaalsContact ND2-CD 3.35Å; N349-E377 VanDerWaalsContact ND2-CG 3.32Å; N349-E377 WeakPolarHBondContact ND2-CG 3.26Å; N349-E377 PolarHBondContact ND2-OE1 2.78Å; N349-E377 CarbonylContact O-C 3.53Å; N349-E377 VanDerWaalsContact O-CA 3.3Å; N349-E377 WeakPolarHBondContact O-CA 3.26Å; N349-W378 PolarHBondContact O-N 3.16Å
350K97.2Very high97.1Very high110 Ų11089.4 Ų89.448%0.47841%0.413SS..EExtended strand (participates in β ladder)trans-96128.3179.2-61.3-172.1179.6-65.20111.1R346 S347 E377R346-K350 CarbonylContact C-O 3.58Å; R346-K350 WeakPolarHBondContact CA-O 3.31Å; S347-K350 PolarHBondContact N-O 3.08Å; S347-K350 WeakPolarHBondContact O-CB 3.4Å; S347-K350 PolarHBondContact O-N 3.11Å; K350-E377 IonicContact NZ-OE2 2.73Å; K350-E377 PolarHBondContact NZ-OE2 2.73Å
351W98.3Very high96.7Very high83 Ų8386.5 Ų86.531%0.31440%0.4SS..EExtended strand (participates in β ladder)trans-111.3141.6178.1-69.786.5000111I344 H345 R346 F353 D375 A376I344-W351 HydrophobicContact CG2-CE3 4.07Å; I344-W351 HydrophobicContact CG2-CZ3 3.98Å; H345-W351 CarbonylContact O-C 3.55Å; R346-W351 HydrophobicContact CB-CD2 4.17Å; R346-W351 HydrophobicContact CB-CE3 4.03Å; R346-W351 HydrophobicContact CB-CH2 4.47Å; R346-W351 HydrophobicContact CB-CZ3 4.18Å; R346-W351 HydrophobicContact CG-CD2 3.95Å; R346-W351 HydrophobicContact CG-CE3 4.3Å; R346-W351 HydrophobicContact CG-CG 4.42Å; R346-W351 HydrophobicContact CG-CH2 4.45Å; R346-W351 HydrophobicContact CG-CZ2 4.11Å; W351-F353 HydrophobicContact CB-CE1 3.9Å; W351-F353 HydrophobicContact CB-CE2 4.02Å; W351-F353 HydrophobicContact CB-CZ 3.43Å; W351-F353 VanDerWaalsContact CB-CZ 3.43Å; W351-F353 HydrophobicContact CD2-CE1 4.44Å; W351-F353 HydrophobicContact CE3-CE1 4.04Å; W351-F353 HydrophobicContact CG-CE1 4.44Å; W351-F353 HydrophobicContact CG-CZ 4.16Å; W351-D375 CarbonylContact O-C 3.59Å; W351-D375 VanDerWaalsContact O-CA 3.29Å; W351-D375 WeakPolarHBondContact O-CA 3.44Å; W351-A376 HydrophobicContact CB-CB 4.39Å; W351-A376 PolarHBondContact N-O 3.1Å; W351-A376 PolarHBondContact O-N 2.99Å
352K97.5Very high96.4Very high100 Ų10081 Ų8144%0.43538%0.382SS..EExtended strand (participates in β ladder)trans-127.9133.4170.9-54.9-160.4174.5-178.80109.7H345 G374 D375H345-K352 HydrophobicContact CB-CB 4.36Å; H345-K352 PolarHBondContact N-O 2.88Å; H345-K352 PolarHBondContact O-N 2.75Å; K352-G374 CarbonylContact C-O 3.57Å; K352-G374 WeakPolarHBondContact CA-O 3.1Å; K352-D375 WeakPolarHBondContact CD-OD1 3.48Å; K352-D375 WeakPolarHBondContact CE-OD1 3.29Å; K352-D375 VanDerWaalsContact CG-OD1 3.26Å; K352-D375 WeakPolarHBondContact CG-OD1 3.31Å
353F97.9Very high96Very high62 Ų6282.5 Ų82.527%0.27239%0.39SS..EExtended strand (participates in β ladder)trans-122.3124.3-178.5-38.3-83000109.1I344 W351 L355 I373 G374 A376I344-F353 HydrophobicContact CD1-CB 4.11Å; I344-F353 HydrophobicContact CD1-CD1 4.04Å; I344-F353 HydrophobicContact CG2-CD1 4.24Å; W351-F353 HydrophobicContact CB-CE1 3.9Å; W351-F353 HydrophobicContact CB-CE2 4.02Å; W351-F353 HydrophobicContact CB-CZ 3.43Å; W351-F353 VanDerWaalsContact CB-CZ 3.43Å; W351-F353 HydrophobicContact CD2-CE1 4.44Å; W351-F353 HydrophobicContact CE3-CE1 4.04Å; W351-F353 HydrophobicContact CG-CE1 4.44Å; W351-F353 HydrophobicContact CG-CZ 4.16Å; F353-L355 HydrophobicContact CB-CD1 4.4Å; F353-L355 HydrophobicContact CB-CD2 4.16Å; F353-L355 HydrophobicContact CB-CG 4.09Å; F353-I373 CarbonylContact O-C 3.52Å; F353-I373 VanDerWaalsContact O-CA 3.31Å; F353-I373 WeakPolarHBondContact O-CA 3.37Å; F353-G374 PolarHBondContact N-O 3.29Å; F353-G374 PolarHBondContact O-N 2.88Å; F353-A376 HydrophobicContact CE2-CB 3.57Å; F353-A376 HydrophobicContact CZ-CB 3.95Å
354H97.8Very high95.4Very high69 Ų6977.7 Ų77.732%0.31938%0.379SS..EExtended strand (participates in β ladder)trans-104.9114.7163.8-65.7-115.8000106.8D342 K343D342-H354 HydrophobicContact CB-CB 4.28Å; D342-H354 PolarHBondContact N-O 2.77Å; K343-H354 HydrophobicContact CB-CB 4Å; K343-H354 PolarHBondContact N-O 3.48Å; K343-H354 VanDerWaalsContact N-O 3.13Å; K343-H354 WeakPolarHBondContact O-CB 3.01Å; K343-H354 PolarHBondContact O-N 3.18Å
355L98.3Very high94.9Very high44 Ų4480.3 Ų80.323%0.2338%0.384CS..EExtended strand (participates in β ladder)trans-119.2156.7-174.5-52.9174.8000110.3Q340 I344 F353 F369 K371 A372Q340-L355 CarbonylContact O-C 3.59Å; Q340-L355 WeakPolarHBondContact O-CA 3.25Å; I344-L355 HydrophobicContact CD1-CD2 4.18Å; F353-L355 HydrophobicContact CB-CD1 4.4Å; F353-L355 HydrophobicContact CB-CD2 4.16Å; F353-L355 HydrophobicContact CB-CG 4.09Å; L355-F369 HydrophobicContact CB-CE2 4.08Å; L355-F369 HydrophobicContact CB-CZ 4.32Å; L355-K371 CarbonylContact O-C 3.55Å; L355-K371 WeakPolarHBondContact O-CA 3.32Å; L355-A372 HydrophobicContact CB-CB 4.26Å; L355-A372 PolarHBondContact N-O 2.85Å; L355-A372 PolarHBondContact O-N 3.26Å
356K97.6Very high94.6Very high59 Ų5977 Ų7726%0.25737%0.369SS..EExtended strand (participates in β ladder)trans-143.2161.217966-170.7172.9-164.40111.9Q340 D342 G358 S370Q340-K356 HydrophobicContact CB-CG 3.76Å; Q340-K356 PolarHBondContact N-O 3.45Å; Q340-K356 PolarHBondContact O-N 2.94Å; Q340-K356 VanDerWaalsContact O-O 3.07Å; D342-K356 HydrophobicContact CB-CD 4.2Å; D342-K356 IonicContact OD1-NZ 3.35Å; D342-K356 PolarHBondContact OD1-NZ 3.41Å; K356-G358 PolarHBondContact O-N 3.02Å; K356-S370 VanDerWaalsContact CA-O 3.25Å; K356-S370 WeakPolarHBondContact CA-O 3.3Å; K356-S370 WeakPolarHBondContact CB-O 3.35Å
357D96.5Very high94.4Very high95 Ų9574.6 Ų74.651%0.50836%0.361SS..EExtended strand (participates in β ladder)trans48.758.8172.8-55.6-29.5000113.8Q340 S370Q340-D357 VanDerWaalsContact NE2-CB 3.35Å; Q340-D357 PolarHBondContact NE2-OD2 2.85Å; D357-S370 PolarHBondContact N-O 3.24Å; D357-S370 VanDerWaalsContact N-O 3.09Å
358G96.2Very high94.3Very high2 Ų274.9 Ų74.92%0.02136%0.357CS..EExtended strand (participates in β ladder)trans-107.9142.8-173.400000115.3V338 C339 K356 I368 F369V338-G358 CarbonylContact O-C 3.56Å; V338-G358 VanDerWaalsContact O-CA 3.26Å; V338-G358 WeakPolarHBondContact O-CA 3.3Å; C339-G358 VanDerWaalsContact CB-CA 3.46Å; K356-G358 PolarHBondContact O-N 3.02Å; G358-I368 CarbonylContact O-C 3.56Å; G358-I368 VanDerWaalsContact O-CA 3.27Å; G358-I368 WeakPolarHBondContact O-CA 3.5Å; G358-F369 VanDerWaalsContact CA-CZ 3.49Å; G358-F369 PolarHBondContact N-O 3.12Å; G358-F369 PolarHBondContact O-N 3.18Å
359I95.2Very high94.2Very high90 Ų9067.8 Ų67.846%0.46233%0.326SS..EExtended strand (participates in β ladder)trans-118.5128.3171.1-54.7174.6000107.1V338 Y367 I368V338-I359 PolarHBondContact N-O 3.38Å; V338-I359 PolarHBondContact O-N 3.28Å; I359-Y367 CarbonylContact C-O 3.58Å; I359-Y367 WeakPolarHBondContact CA-O 3.29Å; I359-I368 HydrophobicContact CG1-CG2 4.4Å
360M94.1Very high94.2Very high44 Ų4469.2 Ų69.222%0.21734%0.341CS..EExtended strand (participates in β ladder)trans-124.5128-178.5-48.2-177.7-69.500109.1V336 V337 L362 D366 Y367 F369V336-M360 CarbonylContact O-C 3.6Å; V336-M360 WeakPolarHBondContact O-CA 3.37Å; V337-M360 HydrophobicContact CB-CG 4.3Å; V337-M360 HydrophobicContact CG1-CG 3.89Å; V337-M360 HydrophobicContact CG1-SD 4.48Å; V337-M360 HydrophobicContact CG2-CB 4.07Å; V337-M360 HydrophobicContact CG2-CG 3.82Å; V337-M360 HydrophobicContact CG2-SD 4.18Å; M360-L362 HydrophobicContact CB-CD1 4.33Å; M360-L362 HydrophobicContact CB-CD2 4.33Å; M360-L362 HydrophobicContact CB-CG 4.03Å; M360-L362 HydrophobicContact CE-CD1 4.42Å; M360-D366 CarbonylContact O-C 3.56Å; M360-D366 WeakPolarHBondContact O-CA 2.97Å; M360-Y367 PolarHBondContact N-O 2.95Å; M360-Y367 PolarHBondContact O-N 3.13Å; M360-F369 HydrophobicContact CE-CD1 3.93Å; M360-F369 HydrophobicContact CG-CD1 3.95Å; M360-F369 HydrophobicContact CG-CE1 3.77Å; M360-F369 HydrophobicContact SD-CD1 3.74Å; M360-F369 HydrophobicContact SD-CE1 3.72Å
361N91.1Very high94.2Very high41 Ų4171.5 Ų71.522%0.21935%0.35CS..EExtended strand (participates in β ladder)trans-101.8110.1165.1-172.1-86.2000107.7N335 V336 R365 D366N335-N361 CarbonylContact C-O 3.59Å; N335-N361 VanDerWaalsContact CA-O 3.3Å; N335-N361 WeakPolarHBondContact CA-O 3.29Å; V336-N361 HydrophobicContact CG1-CB 3.86Å; V336-N361 PolarHBondContact N-O 3.32Å; V336-N361 PolarHBondContact O-N 2.89Å; N361-R365 CarbonylContact C-O 3.58Å; N361-R365 WeakPolarHBondContact CA-O 3.2Å; N361-D366 PolarHBondContact ND2-OD1 3.41Å
362L91.2Very high94.1Very high53 Ų5369 Ų6928%0.27735%0.348SS..EExtended strand (participates in β ladder)trans-123120.8-177.7-52.3176.5000109.6N335 V337 M360 G364 R365 Y367N335-L362 HydrophobicContact CB-CD2 3.97Å; N335-L362 VanDerWaalsContact OD1-CA 3.25Å; N335-L362 WeakPolarHBondContact OD1-CA 3.38Å; V337-L362 HydrophobicContact CG2-CD2 4.47Å; M360-L362 HydrophobicContact CB-CD1 4.33Å; M360-L362 HydrophobicContact CB-CD2 4.33Å; M360-L362 HydrophobicContact CB-CG 4.03Å; M360-L362 HydrophobicContact CE-CD1 4.42Å; L362-G364 PolarHBondContact O-N 3.03Å; L362-R365 PolarHBondContact N-O 3.46Å; L362-R365 PolarHBondContact O-N 3.45Å; L362-Y367 HydrophobicContact CB-CD2 4.04Å; L362-Y367 HydrophobicContact CB-CE2 3.87Å; L362-Y367 HydrophobicContact CD1-CD2 4.05Å; L362-Y367 HydrophobicContact CD1-CE2 4.36Å; L362-Y367 HydrophobicContact CG-CD2 4.08Å; L362-Y367 HydrophobicContact CG-CE2 4.38Å
363N88.3Confident94.1Very high119 Ų11970.3 Ų70.364%0.63636%0.358SS*.THydrogen-bonded Turntrans51.141.4-178.2-53.1-73.6000112.4N335 R365N335-N363 PolarHBondContact OD1-N 2.99Å; N363-R365 VanDerWaalsContact C-N 3.31Å; N363-R365 PolarHBondContact O-N 3.17Å
364G85.4Confident94.1Very high34 Ų3468.7 Ų68.735%0.35136%0.358SS..THydrogen-bonded Turntrans71.618.1-17900000114.9A55 L362A55-G364 WeakPolarHBondContact CA-O 3.33Å; L362-G364 PolarHBondContact O-N 3.03Å
365R87.9Confident94Very high129 Ų12970.9 Ų70.949%0.48737%0.373SS..EExtended strand (participates in β ladder)trans-122.1141.9173.6-65.6-177.8-172.1-125.1-5111.3D57 N361 L362 N363 Y367D57-R365 IonicContact OD2-CZ 3.51Å; D57-R365 IonicContact OD2-NH1 3.18Å; D57-R365 PolarHBondContact OD2-NH1 3.28Å; D57-R365 IonicContact OD2-NH2 3.71Å; N361-R365 CarbonylContact C-O 3.58Å; N361-R365 WeakPolarHBondContact CA-O 3.2Å; L362-R365 PolarHBondContact N-O 3.46Å; L362-R365 PolarHBondContact O-N 3.45Å; N363-R365 VanDerWaalsContact C-N 3.31Å; N363-R365 PolarHBondContact O-N 3.17Å; R365-Y367 HydrophobicContact CB-CE2 3.7Å; R365-Y367 VanDerWaalsContact O-CD2 3.3Å; R365-Y367 WeakPolarHBondContact O-CD2 3.33Å; R365-Y367 WeakPolarHBondContact O-CE2 3.5Å
366D90.7Very high94Very high22 Ų2271 Ų7112%0.11838%0.38CS..EExtended strand (participates in β ladder)trans-88.5137.7178-69.3-14.9000112.7V10 Y14 A55 M360 N361V10-D366 HydrophobicContact CG1-CB 4.08Å; Y14-D366 HydrophobicContact CE2-CB 4.22Å; Y14-D366 WeakPolarHBondContact CE2-OD2 3.27Å; Y14-D366 VanDerWaalsContact CZ-OD2 3.32Å; Y14-D366 VanDerWaalsContact OH-CG 3.32Å; Y14-D366 PolarHBondContact OH-OD2 3.21Å; A55-D366 VanDerWaalsContact CB-OD2 3.31Å; A55-D366 WeakPolarHBondContact CB-OD2 3.15Å; A55-D366 PolarHBondContact O-N 3.45Å; M360-D366 CarbonylContact O-C 3.56Å; M360-D366 WeakPolarHBondContact O-CA 2.97Å; N361-D366 PolarHBondContact ND2-OD1 3.41Å
367Y92Very high94Very high101 Ų10173.9 Ų73.940%0.39639%0.394SS..EExtended strand (participates in β ladder)trans-133.4153.4174.9-57.7-88.4000109.3I359 M360 L362 R365I359-Y367 CarbonylContact C-O 3.58Å; I359-Y367 WeakPolarHBondContact CA-O 3.29Å; M360-Y367 PolarHBondContact N-O 2.95Å; M360-Y367 PolarHBondContact O-N 3.13Å; L362-Y367 HydrophobicContact CB-CD2 4.04Å; L362-Y367 HydrophobicContact CB-CE2 3.87Å; L362-Y367 HydrophobicContact CD1-CD2 4.05Å; L362-Y367 HydrophobicContact CD1-CE2 4.36Å; L362-Y367 HydrophobicContact CG-CD2 4.08Å; L362-Y367 HydrophobicContact CG-CE2 4.38Å; R365-Y367 HydrophobicContact CB-CE2 3.7Å; R365-Y367 VanDerWaalsContact O-CD2 3.3Å; R365-Y367 WeakPolarHBondContact O-CD2 3.33Å; R365-Y367 WeakPolarHBondContact O-CE2 3.5Å
368I93.7Very high93.7Very high72 Ų7281.4 Ų81.437%0.36942%0.416SS..EExtended strand (participates in β ladder)trans-131.1150177.163.5178.4000109.9V10 L13 G358 I359V10-I368 HydrophobicContact CG2-CD1 4.26Å; V10-I368 HydrophobicContact CG2-CG1 4.11Å; L13-I368 HydrophobicContact CD2-CD1 3.64Å; G358-I368 CarbonylContact O-C 3.56Å; G358-I368 VanDerWaalsContact O-CA 3.27Å; G358-I368 WeakPolarHBondContact O-CA 3.5Å; I359-I368 HydrophobicContact CG1-CG2 4.4Å
369F94.7Very high93.6Very high34 Ų3485.4 Ų85.415%0.14944%0.435CS..EExtended strand (participates in β ladder)trans-140143.1170.765.3-99.3000110.8V337 C339 L355 G358 M360 A372V337-F369 HydrophobicContact CG1-CE1 4.23Å; C339-F369 HydrophobicContact CB-CE1 4.35Å; C339-F369 HydrophobicContact CB-CE2 4.06Å; C339-F369 HydrophobicContact CB-CZ 3.49Å; C339-F369 VanDerWaalsContact CB-CZ 3.49Å; L355-F369 HydrophobicContact CB-CE2 4.08Å; L355-F369 HydrophobicContact CB-CZ 4.32Å; G358-F369 VanDerWaalsContact CA-CZ 3.49Å; G358-F369 PolarHBondContact N-O 3.12Å; G358-F369 PolarHBondContact O-N 3.18Å; M360-F369 HydrophobicContact CE-CD1 3.93Å; M360-F369 HydrophobicContact CG-CD1 3.95Å; M360-F369 HydrophobicContact CG-CE1 3.77Å; M360-F369 HydrophobicContact SD-CD1 3.74Å; M360-F369 HydrophobicContact SD-CE1 3.72Å; F369-A372 HydrophobicContact CD2-CB 3.68Å; F369-A372 HydrophobicContact CE1-CB 4.4Å; F369-A372 HydrophobicContact CE2-CB 3.57Å; F369-A372 HydrophobicContact CG-CB 4.15Å; F369-A372 HydrophobicContact CZ-CB 3.92Å
370S96.3Very high93.5Very high91 Ų9185.1 Ų85.164%0.63643%0.434SS*.EExtended strand (participates in β ladder)trans-83.8-35.7171.153.50000112K356 D357K356-S370 VanDerWaalsContact CA-O 3.25Å; K356-S370 WeakPolarHBondContact CA-O 3.3Å; K356-S370 WeakPolarHBondContact CB-O 3.35Å; D357-S370 PolarHBondContact N-O 3.24Å; D357-S370 VanDerWaalsContact N-O 3.09Å
371K97.1Very high93.5Very high158 Ų15887.4 Ų87.469%0.68745%0.446SS*.EExtended strand (participates in β ladder)trans-141.2142.4174.2-63.6-167.8177.5-161.80110.3L355L355-K371 CarbonylContact O-C 3.55Å; L355-K371 WeakPolarHBondContact O-CA 3.32Å
372A97.3Very high93.6Very high31 Ų3190.1 Ų90.126%0.25646%0.459SS..EExtended strand (participates in β ladder)trans-135.6141170.600000109.9L355 F369L355-A372 HydrophobicContact CB-CB 4.26Å; L355-A372 PolarHBondContact N-O 2.85Å; L355-A372 PolarHBondContact O-N 3.26Å; F369-A372 HydrophobicContact CD2-CB 3.68Å; F369-A372 HydrophobicContact CE1-CB 4.4Å; F369-A372 HydrophobicContact CE2-CB 3.57Å; F369-A372 HydrophobicContact CG-CB 4.15Å; F369-A372 HydrophobicContact CZ-CB 3.92Å
373I97.3Very high93.8Very high127 Ų12792.4 Ų92.465%0.65147%0.471SS*.EExtended strand (participates in β ladder)trans-123.3126.6174-58.9174000106.5F353F353-I373 CarbonylContact O-C 3.52Å; F353-I373 VanDerWaalsContact O-CA 3.31Å; F353-I373 WeakPolarHBondContact O-CA 3.37Å
374G96.8Very high94.1Very high27 Ų2790.7 Ų90.728%0.27846%0.46SS..EExtended strand (participates in β ladder)trans-132.2154.9-179.400000112.1K352 F353K352-G374 CarbonylContact C-O 3.57Å; K352-G374 WeakPolarHBondContact CA-O 3.1Å; F353-G374 PolarHBondContact N-O 3.29Å; F353-G374 PolarHBondContact O-N 2.88Å
375D97.2Very high94.8Very high116 Ų11694.7 Ų94.762%0.6247%0.467SS*.EExtended strand (participates in β ladder)trans-125.3139.1171.2-62.5-90000108W351 K352W351-D375 CarbonylContact O-C 3.59Å; W351-D375 VanDerWaalsContact O-CA 3.29Å; W351-D375 WeakPolarHBondContact O-CA 3.44Å; K352-D375 WeakPolarHBondContact CD-OD1 3.48Å; K352-D375 WeakPolarHBondContact CE-OD1 3.29Å; K352-D375 VanDerWaalsContact CG-OD1 3.26Å; K352-D375 WeakPolarHBondContact CG-OD1 3.31Å
376A97.4Very high95.3Very high46 Ų4692.1 Ų92.138%0.3847%0.466SS..EExtended strand (participates in β ladder)trans-139.5164.6173.500000111.5W351 F353W351-A376 HydrophobicContact CB-CB 4.39Å; W351-A376 PolarHBondContact N-O 3.1Å; W351-A376 PolarHBondContact O-N 2.99Å; F353-A376 HydrophobicContact CE2-CB 3.57Å; F353-A376 HydrophobicContact CZ-CB 3.95Å
377E96.8Very high95.7Very high120 Ų12097.9 Ų97.956%0.56150%0.495SS*.EExtended strand (participates in β ladder)trans-121.7130.2171.8-168.4158.6160.100107.6N349 K350N349-E377 HydrophobicContact CB-CG 4.45Å; N349-E377 VanDerWaalsContact ND2-CD 3.35Å; N349-E377 VanDerWaalsContact ND2-CG 3.32Å; N349-E377 WeakPolarHBondContact ND2-CG 3.26Å; N349-E377 PolarHBondContact ND2-OE1 2.78Å; N349-E377 CarbonylContact O-C 3.53Å; N349-E377 VanDerWaalsContact O-CA 3.3Å; N349-E377 WeakPolarHBondContact O-CA 3.26Å; K350-E377 IonicContact NZ-OE2 2.73Å; K350-E377 PolarHBondContact NZ-OE2 2.73Å
378W91.7Very high96Very high252 Ų25297.6 Ų97.696%0.95550%0.504SS*.  trans-91.80175.4-178.279.4000110.4N349N349-W378 PolarHBondContact O-N 3.16Å

Retrieved 378 of 378 residues in 47.1 ms (Link to these results)

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