G4VFA0_SCHMA Loading...

Putative xp-G/rad2 DNA repair endonuclease family member

AlphaFold DB , UniProt , Accession G4VFA0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 148 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
1M36Very low72.6Confident246 Ų246109.7 Ų109.7100%1.21261%0.607SS**  090.40-71.6178.5-169.700108.7S3M1-S3 PolarHBondContact O-N 3.29Å
2T45Very low74.7Confident145 Ų145107.9 Ų107.989%0.8958%0.584SS**  trans-79.2104.3163.8360000106.6A4T2-A4 PolarHBondContact O-N 2.73Å
3S50.1Low76.5Confident94 Ų94105.7 Ų105.766%0.65758%0.577SS**  trans-43.1130.8161.6140.10000107.5M1 R5M1-S3 PolarHBondContact O-N 3.29Å; S3-R5 PolarHBondContact O-N 3.33Å
4A53.8Low78.1Confident99 Ų9998.9 Ų98.982%0.81854%0.539SS*.  trans-60.890.7171.100000106.6T2 G6T2-A4 PolarHBondContact O-N 2.73Å; A4-G6 VanDerWaalsContact C-N 3.35Å; A4-G6 PolarHBondContact O-N 2.74Å
5R66Low79.4Confident117 Ų11797.3 Ų97.344%0.44253%0.534SS..  trans-62.9105174-63.2-162.3-167.4-162.9-6.7105.1S3 C146 L147 R148S3-R5 PolarHBondContact O-N 3.33Å; R5-C146 HydrophobicContact CB-CB 4.19Å; R5-L147 WeakPolarHBondContact CD-O 3.14Å; R5-L147 PolarHBondContact NH1-O 3.35Å; R5-R148 VanDerWaalsContact CZ-OXT 3.23Å; R5-R148 VanDerWaalsContact NH1-CA 3.33Å; R5-R148 PolarHBondContact NH1-OXT 3.2Å; R5-R148 PolarHBondContact NH2-OXT 2.89Å
6G73.9Confident80.6Confident53 Ų5391.3 Ų91.355%0.54650%0.501SS..PPolyproline II helixtrans-52.5143.2-175.100000110.7A4 Y8A4-G6 VanDerWaalsContact C-N 3.35Å; A4-G6 PolarHBondContact O-N 2.74Å; G6-Y8 PolarHBondContact O-N 2.96Å
7S87.8Confident81.6Confident79 Ų7993.8 Ų93.855%0.55251%0.506SS*.EExtended strand (participates in β ladder)trans-57.3121.5173.3-176.20000109.1W9S7-W9 PolarHBondContact OG-NE1 2.8Å; S7-W9 VanDerWaalsContact OG-NE1 3.08Å
8Y93.2Very high82.5Confident45 Ų4596.1 Ų96.118%0.17651%0.51CS..EExtended strand (participates in β ladder)trans-94.4127.7172.9-177-96.2000109.2G6 F10 L40 I143 Q144 G145 L147G6-Y8 PolarHBondContact O-N 2.96Å; Y8-F10 HydrophobicContact CD1-CB 4.29Å; Y8-F10 HydrophobicContact CE1-CB 3.45Å; Y8-F10 VanDerWaalsContact CE1-CB 3.45Å; Y8-F10 HydrophobicContact CE1-CG 4.36Å; Y8-L40 HydrophobicContact CD1-CD2 3.83Å; Y8-L40 HydrophobicContact CG-CD2 4.13Å; Y8-I143 HydrophobicContact CD1-CG2 4.33Å; Y8-I143 HydrophobicContact CE1-CG2 4.3Å; Y8-Q144 VanDerWaalsContact O-CA 3.31Å; Y8-Q144 WeakPolarHBondContact O-CA 3.06Å; Y8-G145 WeakPolarHBondContact CB-O 3.46Å; Y8-G145 PolarHBondContact N-O 3.3Å; Y8-G145 PolarHBondContact O-N 3.24Å; Y8-L147 HydrophobicContact CD2-CD1 4.12Å; Y8-L147 HydrophobicContact CD2-CD2 3.59Å; Y8-L147 HydrophobicContact CD2-CG 4Å; Y8-L147 HydrophobicContact CE2-CD2 4.01Å; Y8-L147 HydrophobicContact CG-CD2 3.88Å; Y8-L147 HydrophobicContact CG-CG 4.27Å
9W96.9Very high83.3Confident157 Ų15794.6 Ų94.660%0.59550%0.497SS*.EExtended strand (participates in β ladder)trans-126.3131.8173.4-7692000109.1S7 T142 I143 Q144S7-W9 PolarHBondContact OG-NE1 2.8Å; S7-W9 VanDerWaalsContact OG-NE1 3.08Å; W9-T142 HydrophobicContact CE3-CG2 4.3Å; W9-T142 HydrophobicContact CZ3-CG2 4.2Å; W9-I143 WeakPolarHBondContact CA-O 3.49Å; W9-Q144 HydrophobicContact CD2-CB 4.19Å; W9-Q144 HydrophobicContact CD2-CG 3.9Å; W9-Q144 HydrophobicContact CE3-CB 3.94Å; W9-Q144 HydrophobicContact CE3-CG 4.11Å; W9-Q144 HydrophobicContact CH2-CB 4.15Å; W9-Q144 HydrophobicContact CH2-CG 3.86Å; W9-Q144 HydrophobicContact CZ2-CB 4.37Å; W9-Q144 HydrophobicContact CZ2-CG 3.62Å; W9-Q144 HydrophobicContact CZ3-CB 3.92Å; W9-Q144 HydrophobicContact CZ3-CG 4.08Å
10F97.4Very high83.9Confident40 Ų4093.8 Ų93.818%0.17550%0.499CS..EExtended strand (participates in β ladder)trans-145.1139.5178.7171.9-91.1000109.5Y8 R12 L34 E36 T142 I143Y8-F10 HydrophobicContact CD1-CB 4.29Å; Y8-F10 HydrophobicContact CE1-CB 3.45Å; Y8-F10 VanDerWaalsContact CE1-CB 3.45Å; Y8-F10 HydrophobicContact CE1-CG 4.36Å; F10-R12 HydrophobicContact CE1-CB 3.68Å; F10-R12 HydrophobicContact CZ-CB 3.68Å; F10-R12 VanDerWaalsContact CZ-CZ 3.49Å; F10-L34 HydrophobicContact CE1-CD2 3.93Å; F10-E36 HydrophobicContact CD1-CB 4.37Å; F10-E36 HydrophobicContact CD1-CG 4.18Å; F10-E36 HydrophobicContact CD2-CG 4Å; F10-E36 HydrophobicContact CE1-CG 4.07Å; F10-E36 HydrophobicContact CE2-CG 3.89Å; F10-E36 HydrophobicContact CG-CG 4.14Å; F10-E36 VanDerWaalsContact CZ-CD 3.46Å; F10-E36 HydrophobicContact CZ-CG 3.93Å; F10-E36 WeakPolarHBondContact CZ-OE1 3.37Å; F10-T142 CarbonylContact O-C 3.56Å; F10-T142 WeakPolarHBondContact O-CA 3.42Å; F10-I143 HydrophobicContact CB-CB 4.26Å; F10-I143 HydrophobicContact CD1-CB 4.3Å; F10-I143 HydrophobicContact CD1-CD1 3.95Å; F10-I143 HydrophobicContact CD1-CG1 4.32Å; F10-I143 HydrophobicContact CE1-CD1 4.49Å; F10-I143 PolarHBondContact N-O 3.33Å; F10-I143 PolarHBondContact O-N 3.41Å
11Q98.4Very high84.5Confident132 Ų13291.5 Ų91.562%0.61748%0.484SS*.EExtended strand (participates in β ladder)trans-138.3137.3175.4-170.7175.484.300110.4V140 A141 T142Q11-V140 HydrophobicContact CG-CG1 3.77Å; Q11-A141 CarbonylContact C-O 3.41Å; Q11-A141 VanDerWaalsContact CA-O 3.25Å; Q11-A141 WeakPolarHBondContact CA-O 3.5Å; Q11-A141 WeakPolarHBondContact CG-O 3.47Å; Q11-T142 PolarHBondContact NE2-OG1 2.73Å
12R97.9Very high87.4Confident88 Ų8880.2 Ų80.233%0.33243%0.43SS..EExtended strand (participates in β ladder)trans-146.2140.6177175.8-178-73.7143.66.1110F10 A33 L34 E36 A141F10-R12 HydrophobicContact CE1-CB 3.68Å; F10-R12 HydrophobicContact CZ-CB 3.68Å; F10-R12 VanDerWaalsContact CZ-CZ 3.49Å; R12-A33 PolarHBondContact NH1-O 3.05Å; R12-L34 HydrophobicContact CB-CD2 4.48Å; R12-E36 IonicContact CZ-OE1 3.91Å; R12-E36 VanDerWaalsContact CZ-OE1 3.3Å; R12-E36 IonicContact CZ-OE2 3.67Å; R12-E36 IonicContact NH1-OE1 3.97Å; R12-E36 PolarHBondContact NH1-OE1 3.27Å; R12-E36 VanDerWaalsContact NH1-OE1 3.09Å; R12-E36 IonicContact NH1-OE2 3.93Å; R12-E36 PolarHBondContact NH1-OE2 2.81Å; R12-E36 IonicContact NH2-OE1 3.15Å; R12-E36 PolarHBondContact NH2-OE1 2.84Å; R12-A141 PolarHBondContact N-O 2.91Å; R12-A141 PolarHBondContact O-N 3.44Å
13T98.6Very high89.9Confident79 Ų7973.7 Ų73.749%0.48539%0.391SS..EExtended strand (participates in β ladder)trans-85.6126.7165.7-55.90000109.8Q138 V139T13-Q138 HydrophobicContact CG2-CB 4.36Å; T13-V139 CarbonylContact C-O 3.59Å; T13-V139 WeakPolarHBondContact CA-O 3.34Å
14I98.2Very high92.1Very high10 Ų1071 Ų715%0.05137%0.368CS..EExtended strand (participates in β ladder)trans-108.3133.5176.7-53.3167.9000107.8L16 A33 L34 Q138 V139 A141I14-L16 HydrophobicContact CG2-CD2 4.38Å; I14-A33 HydrophobicContact CB-CB 4.45Å; I14-A33 HydrophobicContact CD1-CB 3.88Å; I14-A33 HydrophobicContact CG1-CB 3.95Å; I14-A33 HydrophobicContact CG2-CB 3.67Å; I14-L34 HydrophobicContact CD1-CD1 3.78Å; I14-L34 HydrophobicContact CD1-CD2 3.93Å; I14-L34 HydrophobicContact CD1-CG 3.67Å; I14-Q138 PolarHBondContact O-OE1 2.83Å; I14-V139 PolarHBondContact N-O 3.49Å; I14-V139 PolarHBondContact O-N 3.25Å; I14-A141 HydrophobicContact CD1-CB 3.74Å; I14-A141 HydrophobicContact CG1-CB 4.33Å
15T98.5Very high94.2Very high75 Ų7570.3 Ų70.346%0.4634%0.344SS..EExtended strand (participates in β ladder)trans-98.5110.1170.7-53.50000109.3Q138T15-Q138 VanDerWaalsContact OG1-CD 3.3Å; T15-Q138 PolarHBondContact OG1-NE2 2.79Å; T15-Q138 PolarHBondContact OG1-OE1 3.45Å
16L98.4Very high95.7Very high1 Ų164.9 Ų64.91%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-74.5140.5171.4-62.7179.5000110.4I14 V26 E29 I30 L56 L127 S136 R137 V139I14-L16 HydrophobicContact CG2-CD2 4.38Å; L16-V26 HydrophobicContact CD1-CB 4.5Å; L16-V26 HydrophobicContact CD1-CG1 4.39Å; L16-V26 HydrophobicContact CD1-CG2 4.35Å; L16-V26 HydrophobicContact CD2-CB 4.34Å; L16-E29 VanDerWaalsContact CA-OE1 3.3Å; L16-E29 WeakPolarHBondContact CA-OE1 3.1Å; L16-E29 HydrophobicContact CD2-CB 4.37Å; L16-E29 HydrophobicContact CD2-CG 3.99Å; L16-I30 HydrophobicContact CD2-CG1 4.17Å; L16-L56 HydrophobicContact CD1-CD2 4.11Å; L16-L127 HydrophobicContact CB-CD2 4.49Å; L16-L127 HydrophobicContact CD1-CB 4.45Å; L16-L127 HydrophobicContact CD1-CD1 4.45Å; L16-L127 HydrophobicContact CD1-CD2 4.17Å; L16-S136 WeakPolarHBondContact O-CA 3.19Å; L16-S136 WeakPolarHBondContact O-CB 3.21Å; L16-R137 HydrophobicContact CB-CB 4.42Å; L16-R137 PolarHBondContact N-O 2.61Å; L16-R137 PolarHBondContact O-N 2.64Å; L16-V139 HydrophobicContact CD1-CG2 3.74Å; L16-V139 HydrophobicContact CG-CG2 4.01Å
17K97.6Very high96.8Very high134 Ų13463.1 Ų63.158%0.58330%0.303SS*.PPolyproline II helixtrans-54.9143.7175.6-72.4172.5-175.1-179.50111.1R19 E29K17-R19 PolarHBondContact O-N 2.68Å; K17-E29 WeakPolarHBondContact CG-OE1 3.02Å; K17-E29 PolarHBondContact N-OE1 2.72Å
18K97.6Very high97.3Very high136 Ų13664.3 Ų64.359%0.59130%0.303SS*.PPolyproline II helixtrans-53137.5170.7176171.8172172.10110.4G134K18-G134 WeakPolarHBondContact CD-O 3.24Å; K18-G134 WeakPolarHBondContact CE-O 3.19Å; K18-G134 VanDerWaalsContact CG-O 3.24Å; K18-G134 WeakPolarHBondContact CG-O 3.45Å
19R96.8Very high97.5Very high67 Ų6764 Ų6425%0.25330%0.303SS..  trans-129.7152.6173.5-62.3-63.2-178.3-119.4-4.4109.8K17 H24 E29 L127 E129K17-R19 PolarHBondContact O-N 2.68Å; R19-H24 HydrophobicContact CG-CB 4.17Å; R19-E29 IonicContact NH2-OE2 3.89Å; R19-E29 PolarHBondContact NH2-OE2 2.79Å; R19-L127 HydrophobicContact CG-CD2 4.18Å; R19-E129 HydrophobicContact CB-CB 4.32Å
20S95.9Very high97.6Very high78 Ų7856.5 Ų56.555%0.54528%0.275SS..  trans-72.7169.5161.856.20000109.5G22 H24 E129S20-G22 PolarHBondContact O-N 3.02Å; S20-H24 PolarHBondContact O-CE1 2.82Å; S20-H24 PolarHBondContact O-NE2 2.81Å; S20-E129 WeakPolarHBondContact O-CB 3.34Å; S20-E129 WeakPolarHBondContact O-CG 3.46Å
21R97.1Very high97.6Very high47 Ų4759.3 Ų59.318%0.17728%0.284CS..SBendtrans-45.9140169.7172.4174.5-77.9178.5-2.8112.2E71 E80 E129 H130 R131 N132R21-E71 WeakPolarHBondContact CD-OE1 3.33Å; R21-E71 WeakPolarHBondContact CG-OE1 3.39Å; R21-E71 IonicContact NE-OE1 3.44Å; R21-E80 IonicContact CZ-OE1 3.48Å; R21-E80 IonicContact NH1-OE1 3.39Å; R21-E80 PolarHBondContact NH1-OE1 2.97Å; R21-E80 IonicContact NH2-OE1 3.41Å; R21-E80 PolarHBondContact NH2-OE1 3.12Å; R21-E129 CarbonylContact C-O 3.55Å; R21-E129 VanDerWaalsContact CA-O 3.28Å; R21-E129 WeakPolarHBondContact CA-O 3.3Å; R21-H130 PolarHBondContact NE-O 3.16Å; R21-H130 PolarHBondContact NH2-O 3.08Å; R21-R131 WeakPolarHBondContact CA-O 3.46Å; R21-R131 WeakPolarHBondContact CB-O 3.38Å; R21-R131 PolarHBondContact N-O 2.78Å; R21-N132 PolarHBondContact NE-OD1 2.99Å; R21-N132 PolarHBondContact NH1-OD1 2.88Å
22G97.1Very high97.6Very high8 Ų861.4 Ų61.48%0.08229%0.291CS..EExtended strand (participates in β ladder)trans135.4-176.7175.700000113S20 H24 E71 E129S20-G22 PolarHBondContact O-N 3.02Å; G22-H24 PolarHBondContact O-CD2 3.19Å; G22-H24 PolarHBondContact O-NE2 3.11Å; G22-E71 WeakPolarHBondContact CA-OE2 3.47Å; G22-E129 PolarHBondContact N-O 3.43Å; G22-E129 PolarHBondContact O-N 3.48Å
23C97.1Very high97.6Very high9 Ų958.5 Ų58.56%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-99.2125.6175.7-63.70000110.4T67 W126C23-T67 HydrophobicContact CB-CG2 4.03Å; C23-T67 WeakPolarHBondContact O-CB 3.36Å; C23-T67 WeakPolarHBondContact O-CG2 3.31Å; C23-W126 HydrophobicContact CB-CD2 4.5Å; C23-W126 HydrophobicContact CB-CE3 3.65Å; C23-W126 HydrophobicContact CB-CZ3 3.67Å
24H96.7Very high97.6Very high38 Ų3854.8 Ų54.818%0.17626%0.263CS..EExtended strand (participates in β ladder)trans-125.7130.4-172.1-55.7-86.7000111.4R19 S20 G22 V26 W126 L127R19-H24 HydrophobicContact CG-CB 4.17Å; S20-H24 PolarHBondContact O-CE1 2.82Å; S20-H24 PolarHBondContact O-NE2 2.81Å; G22-H24 PolarHBondContact O-CD2 3.19Å; G22-H24 PolarHBondContact O-NE2 3.11Å; H24-V26 PolarHBondContact O-N 2.78Å; H24-W126 CarbonylContact O-C 3.56Å; H24-W126 VanDerWaalsContact O-CA 3.3Å; H24-W126 WeakPolarHBondContact O-CA 3.44Å; H24-L127 PolarHBondContact CD2-O 2.85Å; H24-L127 PolarHBondContact N-O 2.65Å; H24-L127 PolarHBondContact O-N 2.78Å
25Y96.9Very high97.6Very high83 Ų8358.1 Ų58.133%0.32529%0.286SS..EExtended strand (participates in β ladder)trans-68.7125.8172.1-53.1-43.2000110.7E60 D63 T67 W126Y25-E60 WeakPolarHBondContact CE1-O 3.44Å; Y25-D63 PolarHBondContact OH-O 3.45Å; Y25-D63 VanDerWaalsContact OH-O 3.09Å; Y25-T67 HydrophobicContact CD1-CG2 4.33Å; Y25-T67 HydrophobicContact CE1-CG2 3.54Å; Y25-T67 HydrophobicContact CE2-CG2 4.34Å; Y25-W126 AromaticContact CD1-CD1 3.63Å; Y25-W126 HydrophobicContact CD1-CG 4.37Å; Y25-W126 AromaticContact CD1-NE1 3.43Å; Y25-W126 AromaticContact CE1-CD1 3.94Å; Y25-W126 HydrophobicContact CE1-CD2 4.48Å; Y25-W126 AromaticContact CE1-CE2 3.57Å; Y25-W126 AromaticContact CE1-CZ2 3.85Å; Y25-W126 HydrophobicContact CE1-CZ2 3.85Å; Y25-W126 AromaticContact CE1-NE1 3.25Å; Y25-W126 VanDerWaalsContact CE1-NE1 3.25Å
26V97.8Very high97.5Very high3 Ų355.4 Ų55.42%0.01827%0.268CS..  trans-127.76.4-179.8-62.90000113.3L16 H24 D28 E29 I30 L56 I125 L127L16-V26 HydrophobicContact CD1-CB 4.5Å; L16-V26 HydrophobicContact CD1-CG1 4.39Å; L16-V26 HydrophobicContact CD1-CG2 4.35Å; L16-V26 HydrophobicContact CD2-CB 4.34Å; H24-V26 PolarHBondContact O-N 2.78Å; V26-D28 VanDerWaalsContact C-N 3.32Å; V26-D28 PolarHBondContact O-N 2.8Å; V26-E29 PolarHBondContact O-N 2.92Å; V26-E29 VanDerWaalsContact O-N 3.12Å; V26-I30 HydrophobicContact CG2-CD1 4.1Å; V26-I30 WeakPolarHBondContact O-CG1 3.31Å; V26-I30 PolarHBondContact O-N 3.43Å; V26-L56 HydrophobicContact CG2-CD2 4.32Å; V26-I125 HydrophobicContact CG2-CB 4.31Å; V26-I125 HydrophobicContact CG2-CG2 3.87Å; V26-I125 WeakPolarHBondContact CG2-O 3.3Å; V26-I125 PolarHBondContact N-O 2.74Å; V26-L127 HydrophobicContact CG1-CB 3.72Å; V26-L127 HydrophobicContact CG2-CB 4.17Å
27T97.9Very high97.4Very high16 Ų1655.9 Ų55.910%0.09827%0.27CS..Hα-helixtrans-49.7-49.5179-48.80000112.7I30 R31 L119 G124 I125T27-I30 PolarHBondContact O-N 3.07Å; T27-R31 WeakPolarHBondContact O-CB 3.33Å; T27-R31 WeakPolarHBondContact O-CG 3.49Å; T27-R31 PolarHBondContact O-N 3.06Å; T27-L119 HydrophobicContact CG2-CD1 4.22Å; T27-G124 WeakPolarHBondContact OG1-CA 3.28Å; T27-I125 PolarHBondContact N-O 3.27Å; T27-I125 PolarHBondContact OG1-N 2.9Å
28D97.3Very high97.4Very high104 Ų10451.1 Ų51.156%0.55626%0.26SS*.Hα-helixtrans-70.5-34.1-177.3-71.2-20.8000112.6V26 I30 K32V26-D28 VanDerWaalsContact C-N 3.32Å; V26-D28 PolarHBondContact O-N 2.8Å; D28-I30 VanDerWaalsContact C-N 3.35Å; D28-K32 VanDerWaalsContact O-CB 3.31Å; D28-K32 WeakPolarHBondContact O-CB 3.41Å; D28-K32 WeakPolarHBondContact O-CG 3.32Å; D28-K32 PolarHBondContact O-N 3.28Å
29E98.2Very high97.3Very high39 Ų3949.4 Ų49.418%0.18225%0.254CS..Hα-helixtrans-64.7-43.4176.1-165.6164.9157.600110.2L16 K17 R19 V26 A33L16-E29 VanDerWaalsContact CA-OE1 3.3Å; L16-E29 WeakPolarHBondContact CA-OE1 3.1Å; L16-E29 HydrophobicContact CD2-CB 4.37Å; L16-E29 HydrophobicContact CD2-CG 3.99Å; K17-E29 WeakPolarHBondContact CG-OE1 3.02Å; K17-E29 PolarHBondContact N-OE1 2.72Å; R19-E29 IonicContact NH2-OE2 3.89Å; R19-E29 PolarHBondContact NH2-OE2 2.79Å; V26-E29 PolarHBondContact O-N 2.92Å; V26-E29 VanDerWaalsContact O-N 3.12Å; E29-A33 WeakPolarHBondContact O-CB 3.44Å; E29-A33 PolarHBondContact O-N 3.14Å; E29-A33 VanDerWaalsContact O-N 3.1Å
30I98.3Very high97.3Very high0 Ų046.2 Ų46.20%024%0.242CC..Hα-helixtrans-66.6-46.4175.4-67.2-174.8000111.6L16 V26 T27 D28 K32 A33 L34 L45 L47 I125L16-I30 HydrophobicContact CD2-CG1 4.17Å; V26-I30 HydrophobicContact CG2-CD1 4.1Å; V26-I30 WeakPolarHBondContact O-CG1 3.31Å; V26-I30 PolarHBondContact O-N 3.43Å; T27-I30 PolarHBondContact O-N 3.07Å; D28-I30 VanDerWaalsContact C-N 3.35Å; I30-K32 PolarHBondContact O-N 3.47Å; I30-A33 PolarHBondContact O-N 3Å; I30-A33 VanDerWaalsContact O-N 3.17Å; I30-L34 HydrophobicContact CG2-CD1 3.81Å; I30-L34 WeakPolarHBondContact O-CB 3.45Å; I30-L34 PolarHBondContact O-N 2.93Å; I30-L34 VanDerWaalsContact O-N 3.1Å; I30-L45 HydrophobicContact CG2-CD2 4.25Å; I30-L47 HydrophobicContact CD1-CD1 3.65Å; I30-L47 HydrophobicContact CD1-CD2 4.38Å; I30-L47 HydrophobicContact CG2-CD1 4.24Å; I30-L47 HydrophobicContact CG2-CD2 4.23Å; I30-I125 HydrophobicContact CB-CD1 4.4Å; I30-I125 HydrophobicContact CD1-CB 4.44Å; I30-I125 HydrophobicContact CD1-CD1 3.93Å; I30-I125 HydrophobicContact CD1-CG2 3.82Å; I30-I125 HydrophobicContact CG2-CD1 4.21Å
31R97.6Very high97.3Very high99 Ų9945.7 Ų45.737%0.37423%0.23SC..Hα-helixtrans-59.6-45178.3-80.1178.4162.8173.9-5.4112.1T27 A33 L34 L117T27-R31 WeakPolarHBondContact O-CB 3.33Å; T27-R31 WeakPolarHBondContact O-CG 3.49Å; T27-R31 PolarHBondContact O-N 3.06Å; R31-A33 VanDerWaalsContact C-N 3.27Å; R31-A33 PolarHBondContact O-N 3.21Å; R31-L34 CarbonylContact O-C 3.54Å; R31-L34 PolarHBondContact O-N 2.78Å; R31-L117 HydrophobicContact CG-CD1 4.1Å
32K98Very high97.3Very high175 Ų17549.3 Ų49.376%0.76125%0.251SS*.Hα-helixtrans-63.2-35.5176.7-74.6171.7-176.9175.40112D28 I30 L34D28-K32 VanDerWaalsContact O-CB 3.31Å; D28-K32 WeakPolarHBondContact O-CB 3.41Å; D28-K32 WeakPolarHBondContact O-CG 3.32Å; D28-K32 PolarHBondContact O-N 3.28Å; I30-K32 PolarHBondContact O-N 3.47Å; K32-L34 VanDerWaalsContact C-N 3.28Å; K32-L34 PolarHBondContact O-N 2.92Å
33A98Very high97.3Very high27 Ų2749.5 Ų49.522%0.22325%0.253CS..Hα-helixtrans-77.4-10.7178.400000114R12 I14 E29 I30 R31R12-A33 PolarHBondContact NH1-O 3.05Å; I14-A33 HydrophobicContact CB-CB 4.45Å; I14-A33 HydrophobicContact CD1-CB 3.88Å; I14-A33 HydrophobicContact CG1-CB 3.95Å; I14-A33 HydrophobicContact CG2-CB 3.67Å; E29-A33 WeakPolarHBondContact O-CB 3.44Å; E29-A33 PolarHBondContact O-N 3.14Å; E29-A33 VanDerWaalsContact O-N 3.1Å; I30-A33 PolarHBondContact O-N 3Å; I30-A33 VanDerWaalsContact O-N 3.17Å; R31-A33 VanDerWaalsContact C-N 3.27Å; R31-A33 PolarHBondContact O-N 3.21Å
34L98.2Very high97.4Very high1 Ų152.5 Ų52.51%0.00527%0.268CS..  trans-132.661.2-175.5-63173.9000112.6F10 R12 I14 I30 R31 K32 E36 I37 L45 L47 A141 I143F10-L34 HydrophobicContact CE1-CD2 3.93Å; R12-L34 HydrophobicContact CB-CD2 4.48Å; I14-L34 HydrophobicContact CD1-CD1 3.78Å; I14-L34 HydrophobicContact CD1-CD2 3.93Å; I14-L34 HydrophobicContact CD1-CG 3.67Å; I30-L34 HydrophobicContact CG2-CD1 3.81Å; I30-L34 WeakPolarHBondContact O-CB 3.45Å; I30-L34 PolarHBondContact O-N 2.93Å; I30-L34 VanDerWaalsContact O-N 3.1Å; R31-L34 CarbonylContact O-C 3.54Å; R31-L34 PolarHBondContact O-N 2.78Å; K32-L34 VanDerWaalsContact C-N 3.28Å; K32-L34 PolarHBondContact O-N 2.92Å; L34-E36 VanDerWaalsContact C-OE2 3.31Å; L34-E36 WeakPolarHBondContact CA-OE2 3.44Å; L34-E36 PolarHBondContact O-N 2.9Å; L34-E36 VanDerWaalsContact O-N 3.08Å; L34-I37 HydrophobicContact CB-CD1 3.65Å; L34-I37 HydrophobicContact CB-CG1 4.06Å; L34-I37 HydrophobicContact CD1-CD1 4.16Å; L34-I37 WeakPolarHBondContact O-CG1 3.35Å; L34-I37 PolarHBondContact O-N 3.02Å; L34-I37 VanDerWaalsContact O-N 3.17Å; L34-L45 HydrophobicContact CD1-CD1 3.71Å; L34-L45 HydrophobicContact CD1-CD2 3.99Å; L34-L47 HydrophobicContact CD1-CD2 4.48Å; L34-A141 HydrophobicContact CD1-CB 3.72Å; L34-A141 HydrophobicContact CD2-CB 3.81Å; L34-A141 HydrophobicContact CG-CB 4.33Å; L34-I143 HydrophobicContact CB-CD1 4.4Å; L34-I143 HydrophobicContact CD1-CD1 4.45Å; L34-I143 HydrophobicContact CD2-CD1 4.25Å
35P97.7Very high97.5Very high80 Ų8050.7 Ų50.752%0.51926%0.259SS..G310 helixtrans-58.1-20.6175.826.5-36.3000113.6I37 G38P35-I37 PolarHBondContact O-N 3.47Å; P35-G38 PolarHBondContact O-N 2.88Å
36E96.9Very high97.6Very high19 Ų1949.3 Ų49.39%0.08926%0.256CS..G310 helixtrans-57.7-27.5176.7-63.478.8-172.100112.9F10 R12 L34 G38 Q39 I143F10-E36 HydrophobicContact CD1-CB 4.37Å; F10-E36 HydrophobicContact CD1-CG 4.18Å; F10-E36 HydrophobicContact CD2-CG 4Å; F10-E36 HydrophobicContact CE1-CG 4.07Å; F10-E36 HydrophobicContact CE2-CG 3.89Å; F10-E36 HydrophobicContact CG-CG 4.14Å; F10-E36 VanDerWaalsContact CZ-CD 3.46Å; F10-E36 HydrophobicContact CZ-CG 3.93Å; F10-E36 WeakPolarHBondContact CZ-OE1 3.37Å; R12-E36 IonicContact CZ-OE1 3.91Å; R12-E36 VanDerWaalsContact CZ-OE1 3.3Å; R12-E36 IonicContact CZ-OE2 3.67Å; R12-E36 IonicContact NH1-OE1 3.97Å; R12-E36 PolarHBondContact NH1-OE1 3.27Å; R12-E36 VanDerWaalsContact NH1-OE1 3.09Å; R12-E36 IonicContact NH1-OE2 3.93Å; R12-E36 PolarHBondContact NH1-OE2 2.81Å; R12-E36 IonicContact NH2-OE1 3.15Å; R12-E36 PolarHBondContact NH2-OE1 2.84Å; L34-E36 VanDerWaalsContact C-OE2 3.31Å; L34-E36 WeakPolarHBondContact CA-OE2 3.44Å; L34-E36 PolarHBondContact O-N 2.9Å; L34-E36 VanDerWaalsContact O-N 3.08Å; E36-G38 PolarHBondContact O-N 2.84Å; E36-Q39 WeakPolarHBondContact O-CB 3.4Å; E36-Q39 PolarHBondContact O-N 3.21Å; E36-I143 HydrophobicContact CB-CD1 4.25Å
37I97.7Very high97.6Very high10 Ų1049.1 Ų49.15%0.05126%0.255CS..G310 helixtrans-54-39.7174.7-64.9165.3000110.5L34 P35 Q39 L40 L45 I112 G115 L117 I143L34-I37 HydrophobicContact CB-CD1 3.65Å; L34-I37 HydrophobicContact CB-CG1 4.06Å; L34-I37 HydrophobicContact CD1-CD1 4.16Å; L34-I37 WeakPolarHBondContact O-CG1 3.35Å; L34-I37 PolarHBondContact O-N 3.02Å; L34-I37 VanDerWaalsContact O-N 3.17Å; P35-I37 PolarHBondContact O-N 3.47Å; I37-Q39 PolarHBondContact O-N 3.06Å; I37-Q39 VanDerWaalsContact O-N 3.14Å; I37-L40 PolarHBondContact O-N 3.19Å; I37-L45 HydrophobicContact CD1-CD2 4.16Å; I37-I112 HydrophobicContact CG1-CD1 4.27Å; I37-I112 HydrophobicContact CG2-CD1 4.37Å; I37-I112 HydrophobicContact CG2-CG1 4.45Å; I37-I112 HydrophobicContact CG2-CG2 3.99Å; I37-G115 CarbonylContact O-C 3.28Å; I37-G115 WeakPolarHBondContact O-CA 3.41Å; I37-L117 HydrophobicContact CD1-CD2 3.87Å; I37-L117 HydrophobicContact CD1-CG 4.33Å; I37-L117 HydrophobicContact CG2-CD2 4.39Å; I37-I143 HydrophobicContact CG1-CD1 3.82Å
38G97Very high97.7Very high35 Ų3552.3 Ų52.336%0.36127%0.267SS..G310 helixtrans-64.5-17.9-178.200000114.6P35 E36 R148P35-G38 PolarHBondContact O-N 2.88Å; E36-G38 PolarHBondContact O-N 2.84Å; G38-R148 PolarHBondContact O-NE 3.01Å; G38-R148 PolarHBondContact O-NH1 2.81Å; G38-R148 PolarHBondContact O-NH2 3.32Å
39Q95.7Very high97.7Very high100 Ų10047.4 Ų47.447%0.46724%0.241SC..G310 helixtrans-87.5-10.7-178.3-55.1176.725.700112.8E36 I37 L147 R148E36-Q39 WeakPolarHBondContact O-CB 3.4Å; E36-Q39 PolarHBondContact O-N 3.21Å; I37-Q39 PolarHBondContact O-N 3.06Å; I37-Q39 VanDerWaalsContact O-N 3.14Å; Q39-L147 HydrophobicContact CB-CD2 4.07Å; Q39-L147 WeakPolarHBondContact O-CA 3.33Å; Q39-R148 WeakPolarHBondContact O-CG 3.04Å; Q39-R148 PolarHBondContact O-N 3.17Å
40L96.4Very high97.7Very high0 Ų050.7 Ų50.70%026%0.257CS..EExtended strand (participates in β ladder)trans-92.8140.9-174.3-69.4169.3000112.4Y8 I37 I112 G115 I143 C146 L147 R148Y8-L40 HydrophobicContact CD1-CD2 3.83Å; Y8-L40 HydrophobicContact CG-CD2 4.13Å; I37-L40 PolarHBondContact O-N 3.19Å; L40-I112 HydrophobicContact CB-CG2 4.04Å; L40-I112 HydrophobicContact CD1-CD1 3.66Å; L40-I112 HydrophobicContact CD1-CG2 4.39Å; L40-G115 WeakPolarHBondContact O-CA 3.16Å; L40-G115 PolarHBondContact O-N 3.17Å; L40-I143 HydrophobicContact CD1-CG2 3.26Å; L40-C146 CarbonylContact C-O 3.6Å; L40-C146 WeakPolarHBondContact CA-O 3.33Å; L40-C146 WeakPolarHBondContact CD2-O 3.24Å; L40-L147 HydrophobicContact CD2-CD2 4.16Å; L40-R148 WeakPolarHBondContact O-CG 3.23Å; L40-R148 PolarHBondContact O-NE 2.71Å; L40-R148 VanDerWaalsContact O-NE 3.07Å
41Q96.4Very high97.7Very high66 Ų6652.7 Ų52.731%0.30827%0.266SS..EExtended strand (participates in β ladder)trans-81.7-41.5167.6-177.657.822.700110.7N114 C146 R148Q41-N114 PolarHBondContact NE2-OD1 3.34Å; Q41-N114 PolarHBondContact O-N 2.84Å; Q41-C146 PolarHBondContact N-O 3.17Å; Q41-R148 HydrophobicContact CB-CG 4.11Å
42M97.2Very high97.7Very high123 Ų12352 Ų5261%0.60627%0.272SS*.EExtended strand (participates in β ladder)trans-154143.5-176-171.2-165-3900108.4I112 G145 C146M42-I112 CarbonylContact C-O 3.54Å; M42-I112 WeakPolarHBondContact CA-O 3.12Å; M42-G145 CarbonylContact O-C 3.58Å; M42-G145 WeakPolarHBondContact O-CA 3.28Å; M42-C146 PolarHBondContact O-N 3.2Å
43G97.3Very high97.7Very high13 Ų1344.2 Ų44.213%0.13424%0.24CC..EExtended strand (participates in β ladder)trans176.6-163.2175.700000113I112 Q144G43-I112 PolarHBondContact N-O 3.08Å; G43-I112 PolarHBondContact O-N 3.45Å; G43-Q144 CarbonylContact C-O 3.59Å; G43-Q144 WeakPolarHBondContact CA-O 3.41Å
44I98.4Very high97.7Very high71 Ų7143 Ų4336%0.36423%0.23SC..EExtended strand (participates in β ladder)trans-133.9143.2173.157.5172.7000109.3T109 I143 Q144I44-T109 HydrophobicContact CB-CG2 4.2Å; I44-I143 WeakPolarHBondContact O-CA 3.39Å; I44-Q144 HydrophobicContact CG1-CB 4.05Å; I44-Q144 PolarHBondContact N-O 3.2Å; I44-Q144 PolarHBondContact O-N 2.95Å
45L98.7Very high97.7Very high0 Ų042.9 Ų42.90%023%0.229CC..EExtended strand (participates in β ladder)trans-107.7116.4164.7169.961.6000107.7I30 L34 I37 L47 T109 I110 I112 L117 A141 I143I30-L45 HydrophobicContact CG2-CD2 4.25Å; L34-L45 HydrophobicContact CD1-CD1 3.71Å; L34-L45 HydrophobicContact CD1-CD2 3.99Å; I37-L45 HydrophobicContact CD1-CD2 4.16Å; L45-L47 HydrophobicContact CD1-CD2 3.85Å; L45-L47 HydrophobicContact CD1-CG 4.16Å; L45-L47 HydrophobicContact CD2-CD1 4.05Å; L45-L47 HydrophobicContact CD2-CD2 4.12Å; L45-L47 HydrophobicContact CD2-CG 4.08Å; L45-L47 HydrophobicContact CG-CD1 4.35Å; L45-L47 HydrophobicContact CG-CD2 4.08Å; L45-L47 HydrophobicContact CG-CG 3.9Å; L45-T109 CarbonylContact O-C 3.57Å; L45-T109 WeakPolarHBondContact O-CA 3.43Å; L45-I110 HydrophobicContact CD2-CD1 4.32Å; L45-I110 PolarHBondContact N-O 3.33Å; L45-I110 PolarHBondContact O-N 2.95Å; L45-I112 HydrophobicContact CB-CD1 4.06Å; L45-I112 HydrophobicContact CB-CG1 4.25Å; L45-L117 HydrophobicContact CB-CD2 4.23Å; L45-L117 HydrophobicContact CD2-CD2 3.65Å; L45-A141 HydrophobicContact CD1-CB 4.12Å; L45-I143 HydrophobicContact CD1-CD1 4.36Å; L45-I143 HydrophobicContact CD1-CG1 3.68Å
46H98.8Very high97.7Very high54 Ų5439.1 Ų39.125%0.2521%0.205CC..EExtended strand (participates in β ladder)trans-98.8128.8167.9-178.175.1000109.6S107 T109 A141 T142H46-S107 WeakPolarHBondContact CE1-CB 3.38Å; H46-S107 PolarHBondContact CE1-OG 2.91Å; H46-T109 PolarHBondContact ND1-OG1 2.85Å; H46-A141 CarbonylContact O-C 3.5Å; H46-A141 WeakPolarHBondContact O-CA 3.48Å; H46-T142 PolarHBondContact N-O 2.87Å; H46-T142 PolarHBondContact O-N 2.92Å
47L98.8Very high97.8Very high0 Ų039.7 Ų39.70%021%0.21CC..EExtended strand (participates in β ladder)trans-119.4117.7178.1-64.3166.6000108.8I30 L34 L45 L56 S107 I108 I110 I125 V139 A141I30-L47 HydrophobicContact CD1-CD1 3.65Å; I30-L47 HydrophobicContact CD1-CD2 4.38Å; I30-L47 HydrophobicContact CG2-CD1 4.24Å; I30-L47 HydrophobicContact CG2-CD2 4.23Å; L34-L47 HydrophobicContact CD1-CD2 4.48Å; L45-L47 HydrophobicContact CD1-CD2 3.85Å; L45-L47 HydrophobicContact CD1-CG 4.16Å; L45-L47 HydrophobicContact CD2-CD1 4.05Å; L45-L47 HydrophobicContact CD2-CD2 4.12Å; L45-L47 HydrophobicContact CD2-CG 4.08Å; L45-L47 HydrophobicContact CG-CD1 4.35Å; L45-L47 HydrophobicContact CG-CD2 4.08Å; L45-L47 HydrophobicContact CG-CG 3.9Å; L47-L56 HydrophobicContact CB-CD1 3.86Å; L47-S107 CarbonylContact O-C 3.46Å; L47-S107 WeakPolarHBondContact O-CA 3.4Å; L47-S107 VanDerWaalsContact O-CB 3.23Å; L47-S107 WeakPolarHBondContact O-CB 3.48Å; L47-I108 HydrophobicContact CB-CG1 3.95Å; L47-I108 HydrophobicContact CD1-CD1 3.95Å; L47-I108 HydrophobicContact CD1-CG1 4.02Å; L47-I108 PolarHBondContact N-O 3Å; L47-I108 PolarHBondContact O-N 2.97Å; L47-I110 HydrophobicContact CD1-CD1 3.86Å; L47-I125 HydrophobicContact CD1-CD1 3.95Å; L47-V139 HydrophobicContact CB-CG1 3.98Å; L47-V139 HydrophobicContact CD2-CG1 3.89Å; L47-A141 HydrophobicContact CD2-CB 3.73Å
48F98.8Very high97.8Very high82 Ų8241.4 Ų41.436%0.3622%0.219SC..EExtended strand (participates in β ladder)trans-114.7114.6178.7-172.4-81000110Q50 P106 V139 V140F48-Q50 HydrophobicContact CD1-CG 4.12Å; F48-Q50 HydrophobicContact CE1-CG 4.39Å; F48-P106 HydrophobicContact CD2-CG 3.99Å; F48-P106 HydrophobicContact CE1-CG 4.28Å; F48-P106 HydrophobicContact CE2-CB 4.29Å; F48-P106 HydrophobicContact CE2-CG 3.34Å; F48-P106 HydrophobicContact CZ-CB 4.2Å; F48-P106 HydrophobicContact CZ-CG 3.5Å; F48-V139 CarbonylContact O-C 3.51Å; F48-V139 WeakPolarHBondContact O-CA 3.37Å; F48-V140 HydrophobicContact CB-CB 4.47Å; F48-V140 PolarHBondContact N-O 3.04Å; F48-V140 PolarHBondContact O-N 3.31Å
49I98.6Very high97.8Very high1 Ų142.8 Ų42.81%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-78.7124.3175-159175.6000109.6H51 A54 L56 P106 L127 R137 V139I49-H51 HydrophobicContact CD1-CB 4.32Å; I49-H51 HydrophobicContact CG1-CB 4.1Å; I49-H51 PolarHBondContact O-N 2.7Å; I49-A54 HydrophobicContact CD1-CB 3.85Å; I49-L56 HydrophobicContact CB-CD1 4.26Å; I49-L56 HydrophobicContact CB-CG 4.18Å; I49-L56 HydrophobicContact CD1-CG 4.38Å; I49-P106 HydrophobicContact CG2-CB 3.9Å; I49-P106 VanDerWaalsContact CG2-O 3.24Å; I49-P106 WeakPolarHBondContact CG2-O 3.49Å; I49-P106 PolarHBondContact N-O 2.91Å; I49-L127 HydrophobicContact CD1-CD1 3.69Å; I49-R137 HydrophobicContact CD1-CB 4.05Å; I49-R137 HydrophobicContact CD1-CG 4.36Å; I49-R137 HydrophobicContact CG1-CB 4.4Å; I49-V139 HydrophobicContact CG1-CG2 4.18Å
50Q98.2Very high97.9Very high109 Ų10941.2 Ų41.251%0.50921%0.21SC..SBendtrans-84.443.7179.2-64.7-174-50.800111.6F48 Q138 V140F48-Q50 HydrophobicContact CD1-CG 4.12Å; F48-Q50 HydrophobicContact CE1-CG 4.39Å; Q50-Q138 HydrophobicContact CB-CB 4.37Å; Q50-Q138 PolarHBondContact N-O 3.09Å; Q50-V140 HydrophobicContact CG-CG2 3.98Å
51H98Very high97.7Very high42 Ų4243.2 Ų43.219%0.19422%0.224CC..  trans-143.7141.7-175.2-67.5-97.3000109.8I49 R137 Q138I49-H51 HydrophobicContact CD1-CB 4.32Å; I49-H51 HydrophobicContact CG1-CB 4.1Å; I49-H51 PolarHBondContact O-N 2.7Å; H51-R137 PolarHBondContact ND1-NH1 2.86Å; H51-Q138 PolarHBondContact CD2-N 3.05Å; H51-Q138 VanDerWaalsContact CD2-N 3.32Å; H51-Q138 PolarHBondContact NE2-N 2.87Å
52T97.4Very high97.5Very high83 Ų8348.7 Ų48.751%0.50924%0.242SC..SBendtrans-101.1-7-178.446.70000113H97 Q100T52-H97 WeakPolarHBondContact CB-ND1 3.49Å; T52-H97 PolarHBondContact O-ND1 2.73Å; T52-H97 PolarHBondContact OG1-CE1 2.94Å; T52-Q100 WeakPolarHBondContact O-CB 3.44Å
53S97.6Very high97.4Very high13 Ų1346.2 Ų46.29%0.09123%0.231CC..SBendtrans-113.914.3-178.858.40000113.7H130 R137S53-H130 WeakPolarHBondContact O-CB 3.34Å; S53-H130 PolarHBondContact O-N 3.15Å; S53-R137 PolarHBondContact OG-NH1 3.33Å; S53-R137 VanDerWaalsContact OG-NH1 3.16Å; S53-R137 PolarHBondContact OG-NH2 3.05Å
54A98.3Very high97.1Very high0 Ų049.6 Ų49.60%025%0.251CS..EExtended strand (participates in β ladder)trans-148.6155.2174.500000110I49 Q100 L127 C128 R137I49-A54 HydrophobicContact CD1-CB 3.85Å; A54-Q100 WeakPolarHBondContact O-CG 3.32Å; A54-L127 HydrophobicContact CB-CD1 4.12Å; A54-C128 VanDerWaalsContact CA-O 3.3Å; A54-C128 WeakPolarHBondContact CA-O 3.18Å; A54-R137 HydrophobicContact CB-CG 4.34Å
55T98.3Very high97Very high0 Ų048.4 Ų48.40%025%0.249CC..EExtended strand (participates in β ladder)trans-127.7140.1-176.9-51.20000111.5Q100 L103 L127 C128 H130T55-Q100 VanDerWaalsContact OG1-CA 3.23Å; T55-Q100 WeakPolarHBondContact OG1-CA 3.34Å; T55-L103 HydrophobicContact CG2-CB 3.75Å; T55-L103 HydrophobicContact CG2-CD1 4.32Å; T55-L127 WeakPolarHBondContact O-CA 3.48Å; T55-C128 PolarHBondContact N-O 2.8Å; T55-C128 PolarHBondContact O-N 3.47Å; T55-H130 PolarHBondContact OG1-NE2 2.93Å
56L98.4Very high97Very high1 Ų150 Ų501%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-91.5132.2157.8-67.5178.2000109.3L16 V26 L47 I49 I108 I125 W126 L127 V139L16-L56 HydrophobicContact CD1-CD2 4.11Å; V26-L56 HydrophobicContact CG2-CD2 4.32Å; L47-L56 HydrophobicContact CB-CD1 3.86Å; I49-L56 HydrophobicContact CB-CD1 4.26Å; I49-L56 HydrophobicContact CB-CG 4.18Å; I49-L56 HydrophobicContact CD1-CG 4.38Å; L56-I108 HydrophobicContact CB-CD1 4.19Å; L56-I108 HydrophobicContact CB-CG1 4.24Å; L56-I108 WeakPolarHBondContact O-CG2 3.45Å; L56-I125 HydrophobicContact CD2-CG2 4.45Å; L56-W126 VanDerWaalsContact CA-O 3.31Å; L56-W126 WeakPolarHBondContact CA-O 3.25Å; L56-W126 WeakPolarHBondContact CD2-O 3.22Å; L56-L127 HydrophobicContact CD2-CB 4.34Å; L56-L127 HydrophobicContact CD2-CD1 4.25Å; L56-V139 HydrophobicContact CD1-CG1 3.7Å; L56-V139 HydrophobicContact CD1-CG2 3.91Å
57T97.8Very high96.8Very high30 Ų3048.4 Ų48.418%0.18425%0.252CS..EExtended strand (participates in β ladder)trans-142.4174.2174.5-167.80000110.5W126T57-W126 HydrophobicContact CG2-CB 3.85Å; T57-W126 HydrophobicContact CG2-CE3 4.25Å; T57-W126 HydrophobicContact CG2-CG 4.42Å; T57-W126 PolarHBondContact N-O 3.19Å; T57-W126 VanDerWaalsContact N-O 3.11Å; T57-W126 PolarHBondContact O-N 2.86Å
58I97.8Very high96.7Very high47 Ų4752.8 Ų52.824%0.24128%0.28CS..EExtended strand (participates in β ladder)trans-122.2124.9175-59.3170.7000107.9I108 I110 L119 Q123 G124I58-I108 HydrophobicContact CD1-CB 4.5Å; I58-I108 HydrophobicContact CD1-CD1 4.29Å; I58-I108 HydrophobicContact CG1-CD1 3.87Å; I58-I110 HydrophobicContact CD1-CD1 4.46Å; I58-I110 HydrophobicContact CD1-CG1 3.74Å; I58-L119 HydrophobicContact CD1-CD2 4.19Å; I58-L119 HydrophobicContact CG2-CD2 4.06Å; I58-Q123 HydrophobicContact CG2-CB 3.76Å; I58-Q123 HydrophobicContact CG2-CG 3.92Å; I58-G124 WeakPolarHBondContact CA-O 3.46Å
59N96.7Very high96.7Very high63 Ų6352.7 Ų52.734%0.33728%0.283SS..EExtended strand (participates in β ladder)trans-153.9-173.3176.9-154.8-16.9000109.9Q123 G124 W126N59-Q123 WeakPolarHBondContact O-CA 3.42Å; N59-G124 PolarHBondContact N-O 3.14Å; N59-G124 PolarHBondContact O-N 2.86Å; N59-W126 HydrophobicContact CB-CD2 3.91Å; N59-W126 HydrophobicContact CB-CE3 4.16Å; N59-W126 HydrophobicContact CB-CH2 4.01Å; N59-W126 HydrophobicContact CB-CZ2 3.71Å; N59-W126 HydrophobicContact CB-CZ3 4.21Å
60E97.3Very high96.6Very high68 Ų6854.9 Ų54.932%0.31829%0.293SS..EExtended strand (participates in β ladder)trans-53.1137.3178.9-174.4169.8144.300112.1Y25 W62 V66 W122 W126Y25-E60 WeakPolarHBondContact CE1-O 3.44Å; E60-W62 HydrophobicContact CG-CB 4.33Å; E60-V66 HydrophobicContact CB-CG1 4.3Å; E60-V66 HydrophobicContact CB-CG2 4.39Å; E60-V66 HydrophobicContact CG-CG2 4.35Å; E60-W122 CarbonylContact C-O 3.59Å; E60-W122 VanDerWaalsContact C-O 3.28Å; E60-W122 WeakPolarHBondContact CA-O 3.4Å; E60-W122 HydrophobicContact CG-CB 4.31Å; E60-W126 WeakPolarHBondContact O-CZ2 3.46Å; E60-W126 PolarHBondContact O-NE1 3.45Å
61S93.2Very high96.5Very high41 Ų4150.7 Ų50.729%0.28727%0.274SS..  trans-131.240177.969.50000112.3W122 G124S61-W122 PolarHBondContact N-O 3.01Å; S61-G124 PolarHBondContact OG-N 3.04Å
62W92.7Very high96.5Very high182 Ų18254.3 Ų54.369%0.68929%0.292SS*.SBendtrans-117.7-59.5-179.4-177.7-107.4000111.9E60 P64 W122E60-W62 HydrophobicContact CG-CB 4.33Å; W62-P64 WeakPolarHBondContact O-CD 3.13Å; W62-W122 HydrophobicContact CB-CD2 4.43Å; W62-W122 HydrophobicContact CB-CE3 3.6Å; W62-W122 HydrophobicContact CB-CZ3 3.83Å; W62-W122 HydrophobicContact CD2-CE3 4.08Å; W62-W122 AromaticContact CD2-CH2 3.98Å; W62-W122 HydrophobicContact CD2-CH2 3.98Å; W62-W122 AromaticContact CD2-CZ3 3.34Å; W62-W122 HydrophobicContact CD2-CZ3 3.34Å; W62-W122 AromaticContact CE2-CZ3 3.94Å; W62-W122 HydrophobicContact CE3-CE3 4.28Å; W62-W122 HydrophobicContact CE3-CH2 4.38Å; W62-W122 AromaticContact CE3-CZ3 3.51Å; W62-W122 HydrophobicContact CE3-CZ3 3.51Å; W62-W122 AromaticContact CG-CE3 3.8Å; W62-W122 HydrophobicContact CG-CE3 3.8Å; W62-W122 HydrophobicContact CG-CH2 4.16Å; W62-W122 AromaticContact CG-CZ3 3.49Å; W62-W122 HydrophobicContact CG-CZ3 3.49Å; W62-W122 VanDerWaalsContact CG-CZ3 3.49Å; W62-W122 HydrophobicContact CZ3-CZ3 4.19Å
63D94.3Very high96.5Very high70 Ų7053.6 Ų53.637%0.37429%0.288SS..  trans-88.9120.4179.7-175.1-4.8000111.4Y25 S65 V66Y25-D63 PolarHBondContact OH-O 3.45Å; Y25-D63 VanDerWaalsContact OH-O 3.09Å; D63-S65 PolarHBondContact O-N 2.93Å; D63-S65 WeakPolarHBondContact OD1-CB 3.34Å; D63-S65 PolarHBondContact OD1-N 3.12Å; D63-S65 PolarHBondContact OD1-OG 3.11Å; D63-S65 VanDerWaalsContact OD1-OG 3.09Å; D63-S65 PolarHBondContact OD2-OG 2.88Å; D63-V66 HydrophobicContact CB-CG2 4.05Å; D63-V66 WeakPolarHBondContact O-CG2 3.43Å; D63-V66 PolarHBondContact O-N 2.91Å
64P91.8Very high96.5Very high85 Ų8553.2 Ų53.255%0.55228%0.284SS*.Hα-helixtrans-60.3-19.1173.5-21.933.6000114.7W62 V66 T67W62-P64 WeakPolarHBondContact O-CD 3.13Å; P64-V66 PolarHBondContact O-N 2.92Å; P64-T67 PolarHBondContact O-N 3.19Å; P64-T67 PolarHBondContact O-OG1 3.1Å
65S96.4Very high96.5Very high46 Ų4655.6 Ų55.632%0.32230%0.297SS..Hα-helixtrans-62.2-34.9176.2740000111.7D63 T67 T68 D69D63-S65 PolarHBondContact O-N 2.93Å; D63-S65 WeakPolarHBondContact OD1-CB 3.34Å; D63-S65 PolarHBondContact OD1-N 3.12Å; D63-S65 PolarHBondContact OD1-OG 3.11Å; D63-S65 VanDerWaalsContact OD1-OG 3.09Å; D63-S65 PolarHBondContact OD2-OG 2.88Å; S65-T67 VanDerWaalsContact C-N 3.3Å; S65-T67 PolarHBondContact O-N 3.27Å; S65-T68 WeakPolarHBondContact O-CA 3.45Å; S65-T68 WeakPolarHBondContact O-CB 3.45Å; S65-T68 PolarHBondContact O-N 3.04Å; S65-D69 PolarHBondContact O-N 3.09Å
66V97.1Very high96.5Very high32 Ų3262.9 Ų62.919%0.19433%0.331CS..Hα-helixtrans-62.2-37.7-176.5-1690000111.5E60 D63 P64 T68 M70 W126E60-V66 HydrophobicContact CB-CG1 4.3Å; E60-V66 HydrophobicContact CB-CG2 4.39Å; E60-V66 HydrophobicContact CG-CG2 4.35Å; D63-V66 HydrophobicContact CB-CG2 4.05Å; D63-V66 WeakPolarHBondContact O-CG2 3.43Å; D63-V66 PolarHBondContact O-N 2.91Å; P64-V66 PolarHBondContact O-N 2.92Å; V66-T68 VanDerWaalsContact C-N 3.34Å; V66-M70 WeakPolarHBondContact O-CB 3.45Å; V66-M70 PolarHBondContact O-N 3.48Å; V66-W126 HydrophobicContact CB-CH2 4.36Å; V66-W126 HydrophobicContact CG1-CH2 3.79Å; V66-W126 HydrophobicContact CG1-CZ2 4.14Å
67T95.8Very high96.4Very high21 Ų2168.3 Ų68.313%0.12936%0.359CS..Hα-helixtrans-69.9-33.9177.257.80000112.2C23 Y25 P64 S65 E71 W126C23-T67 HydrophobicContact CB-CG2 4.03Å; C23-T67 WeakPolarHBondContact O-CB 3.36Å; C23-T67 WeakPolarHBondContact O-CG2 3.31Å; Y25-T67 HydrophobicContact CD1-CG2 4.33Å; Y25-T67 HydrophobicContact CE1-CG2 3.54Å; Y25-T67 HydrophobicContact CE2-CG2 4.34Å; P64-T67 PolarHBondContact O-N 3.19Å; P64-T67 PolarHBondContact O-OG1 3.1Å; S65-T67 VanDerWaalsContact C-N 3.3Å; S65-T67 PolarHBondContact O-N 3.27Å; T67-E71 PolarHBondContact O-N 3.42Å; T67-W126 HydrophobicContact CG2-CH2 3.94Å; T67-W126 HydrophobicContact CG2-CZ2 3.91Å; T67-W126 HydrophobicContact CG2-CZ3 4.4Å
68T96.5Very high96.4Very high93 Ų9367.2 Ų67.257%0.57135%0.353SS*.Hα-helixtrans-69.3-48.1176.1-54.90000110.8S65 V66 E71 M72S65-T68 WeakPolarHBondContact O-CA 3.45Å; S65-T68 WeakPolarHBondContact O-CB 3.45Å; S65-T68 PolarHBondContact O-N 3.04Å; V66-T68 VanDerWaalsContact C-N 3.34Å; T68-E71 PolarHBondContact O-N 3.17Å; T68-M72 PolarHBondContact O-N 2.99Å
69D97.8Very high96.4Very high80 Ų8066.6 Ų66.643%0.42835%0.352SS..Hα-helixtrans-66.7-38.5179.7-72.2-11.3000111.5S65 E71 M72 V73S65-D69 PolarHBondContact O-N 3.09Å; D69-E71 VanDerWaalsContact C-N 3.33Å; D69-E71 PolarHBondContact O-N 3.45Å; D69-M72 WeakPolarHBondContact O-CB 3.4Å; D69-M72 PolarHBondContact O-N 2.84Å; D69-V73 WeakPolarHBondContact O-CG2 3.36Å; D69-V73 PolarHBondContact O-N 3.45Å
70M97.2Very high96.3Very high46 Ų4666.4 Ų66.423%0.22735%0.349CS..Hα-helixtrans-62.5-41.6175.7-168.967.1-172.200111.7V66 M72 V73 L74 L103 W126V66-M70 WeakPolarHBondContact O-CB 3.45Å; V66-M70 PolarHBondContact O-N 3.48Å; M70-M72 VanDerWaalsContact C-N 3.34Å; M70-V73 PolarHBondContact O-N 2.83Å; M70-L74 HydrophobicContact CE-CD1 4.38Å; M70-L74 HydrophobicContact CE-CD2 4.23Å; M70-L74 HydrophobicContact CE-CG 4.2Å; M70-L74 HydrophobicContact CG-CD1 4.22Å; M70-L74 WeakPolarHBondContact O-CB 3.24Å; M70-L74 VanDerWaalsContact O-CG 3.26Å; M70-L74 WeakPolarHBondContact O-CG 3.49Å; M70-L74 PolarHBondContact O-N 2.85Å; M70-L103 HydrophobicContact CE-CD2 3.52Å; M70-W126 HydrophobicContact CB-CH2 4.3Å; M70-W126 HydrophobicContact CB-CZ3 3.9Å; M70-W126 HydrophobicContact CG-CZ3 3.92Å
71E97Very high96.2Very high21 Ų2168.3 Ų68.310%0.09837%0.37CS..Hα-helixtrans-64.5-39.8175.2-177.456.3-151.800111.6R21 G22 T67 T68 D69 L74 N75 K99R21-E71 WeakPolarHBondContact CD-OE1 3.33Å; R21-E71 WeakPolarHBondContact CG-OE1 3.39Å; R21-E71 IonicContact NE-OE1 3.44Å; G22-E71 WeakPolarHBondContact CA-OE2 3.47Å; T67-E71 PolarHBondContact O-N 3.42Å; T68-E71 PolarHBondContact O-N 3.17Å; D69-E71 VanDerWaalsContact C-N 3.33Å; D69-E71 PolarHBondContact O-N 3.45Å; E71-L74 PolarHBondContact O-N 3.42Å; E71-N75 WeakPolarHBondContact O-CB 3.36Å; E71-N75 PolarHBondContact O-N 2.88Å; E71-N75 PolarHBondContact O-ND2 2.88Å; E71-N75 PolarHBondContact OE1-ND2 3.35Å; E71-N75 PolarHBondContact OE1-OD1 3.29Å; E71-K99 IonicContact OE1-NZ 2.91Å
72M97.4Very high96.3Very high118 Ų11871 Ų7158%0.58138%0.38SS*.Hα-helixtrans-59.2-48.7173.5-172.3-139.6-55.900111.4T68 D69 M70 L74 N75 H76T68-M72 PolarHBondContact O-N 2.99Å; D69-M72 WeakPolarHBondContact O-CB 3.4Å; D69-M72 PolarHBondContact O-N 2.84Å; M70-M72 VanDerWaalsContact C-N 3.34Å; M72-L74 PolarHBondContact O-N 3.43Å; M72-N75 PolarHBondContact O-N 2.79Å; M72-H76 PolarHBondContact O-N 2.87Å
73V97.9Very high96.5Very high68 Ų6872.3 Ų72.341%0.41239%0.391SS..Hα-helixtrans-59.3-46.7177.8168.90000110.8D69 M70 N75 H76 L77D69-V73 WeakPolarHBondContact O-CG2 3.36Å; D69-V73 PolarHBondContact O-N 3.45Å; M70-V73 PolarHBondContact O-N 2.83Å; V73-N75 VanDerWaalsContact C-N 3.34Å; V73-N75 PolarHBondContact O-N 2.75Å; V73-H76 PolarHBondContact O-N 3.04Å; V73-L77 HydrophobicContact CG1-CD1 3.84Å; V73-L77 HydrophobicContact CG1-CG 4.34Å; V73-L77 WeakPolarHBondContact O-CG 3.41Å; V73-L77 PolarHBondContact O-N 2.83Å
74L97.5Very high96.6Very high5 Ų571.4 Ų71.43%0.02638%0.383CS..Hα-helixtrans-62.7-39.8179.1-71.9169.4000112.4M70 E71 M72 H76 V78 K99 L103M70-L74 HydrophobicContact CE-CD1 4.38Å; M70-L74 HydrophobicContact CE-CD2 4.23Å; M70-L74 HydrophobicContact CE-CG 4.2Å; M70-L74 HydrophobicContact CG-CD1 4.22Å; M70-L74 WeakPolarHBondContact O-CB 3.24Å; M70-L74 VanDerWaalsContact O-CG 3.26Å; M70-L74 WeakPolarHBondContact O-CG 3.49Å; M70-L74 PolarHBondContact O-N 2.85Å; E71-L74 PolarHBondContact O-N 3.42Å; M72-L74 PolarHBondContact O-N 3.43Å; L74-H76 VanDerWaalsContact C-N 3.33Å; L74-V78 PolarHBondContact O-N 2.8Å; L74-K99 HydrophobicContact CB-CD 4.1Å; L74-K99 HydrophobicContact CB-CG 4.38Å; L74-K99 HydrophobicContact CD2-CG 4.33Å; L74-K99 WeakPolarHBondContact O-CE 2.93Å; L74-L103 HydrophobicContact CD1-CD1 4.08Å; L74-L103 HydrophobicContact CD2-CD1 4.19Å; L74-L103 HydrophobicContact CD2-CD2 4.05Å; L74-L103 HydrophobicContact CD2-CG 4.06Å
75N97.2Very high96.9Very high51 Ų5177.5 Ų77.527%0.27340%0.401SS..Hα-helixtrans-70.2-29.5176-75.4-42.6000112.9E71 M72 V73 V78 P79 K99E71-N75 WeakPolarHBondContact O-CB 3.36Å; E71-N75 PolarHBondContact O-N 2.88Å; E71-N75 PolarHBondContact O-ND2 2.88Å; E71-N75 PolarHBondContact OE1-ND2 3.35Å; E71-N75 PolarHBondContact OE1-OD1 3.29Å; M72-N75 PolarHBondContact O-N 2.79Å; V73-N75 VanDerWaalsContact C-N 3.34Å; V73-N75 PolarHBondContact O-N 2.75Å; N75-V78 CarbonylContact O-C 3.58Å; N75-P79 VanDerWaalsContact O-CA 3.24Å; N75-P79 WeakPolarHBondContact O-CA 3.38Å; N75-K99 PolarHBondContact OD1-NZ 3.01Å
76H97.8Very high96.9Very high153 Ų15378.8 Ų78.871%0.70840%0.401SS*.Hα-helixtrans-71.7-44.9173.4-174.976000111.9M72 V73 L74M72-H76 PolarHBondContact O-N 2.87Å; V73-H76 PolarHBondContact O-N 3.04Å; L74-H76 VanDerWaalsContact C-N 3.33Å
77L97.5Very high96.8Very high114 Ų11480.8 Ų80.860%0.59741%0.414SS*.Hα-helixtrans-71-35.9-179.8-68.5175.9000112.8V73V73-L77 HydrophobicContact CG1-CD1 3.84Å; V73-L77 HydrophobicContact CG1-CG 4.34Å; V73-L77 WeakPolarHBondContact O-CG 3.41Å; V73-L77 PolarHBondContact O-N 2.83Å
78V97.7Very high96.7Very high7 Ų784.8 Ų84.84%0.04244%0.441CS..SBendtrans-12973.5-178.4-168.70000109.5L74 N75 Y84 P95 A98 K99 L102L74-V78 PolarHBondContact O-N 2.8Å; N75-V78 CarbonylContact O-C 3.58Å; V78-Y84 WeakPolarHBondContact CG1-OH 3.23Å; V78-P95 HydrophobicContact CG1-CB 3.93Å; V78-A98 HydrophobicContact CG1-CB 3.7Å; V78-A98 HydrophobicContact CG2-CB 4.44Å; V78-K99 HydrophobicContact CB-CG 3.83Å; V78-K99 HydrophobicContact CG1-CG 4.21Å; V78-K99 HydrophobicContact CG2-CG 3.9Å; V78-L102 HydrophobicContact CG2-CD1 3.44Å; V78-L102 VanDerWaalsContact CG2-CD1 3.44Å
79P97Very high96.6Very high35 Ų3586.3 Ų86.323%0.22744%0.442CS..  trans-72.6143-178.423.4-23.4000110.4N75 S81 L82 Y84N75-P79 VanDerWaalsContact O-CA 3.24Å; N75-P79 WeakPolarHBondContact O-CA 3.38Å; P79-S81 PolarHBondContact O-N 3.38Å; P79-L82 HydrophobicContact CG-CD1 4.26Å; P79-L82 HydrophobicContact CG-CD2 4.16Å; P79-L82 HydrophobicContact CG-CG 3.91Å; P79-Y84 WeakPolarHBondContact O-CE2 3.47Å; P79-Y84 PolarHBondContact O-OH 2.92Å
80E96.4Very high96.5Very high59 Ų5984 Ų8428%0.27644%0.437SS..THydrogen-bonded Turntrans-65.1-23175.3-62.4-170.4171.800112.9R21 L82 A91 D92 P95 N132R21-E80 IonicContact CZ-OE1 3.48Å; R21-E80 IonicContact NH1-OE1 3.39Å; R21-E80 PolarHBondContact NH1-OE1 2.97Å; R21-E80 IonicContact NH2-OE1 3.41Å; R21-E80 PolarHBondContact NH2-OE1 3.12Å; E80-L82 PolarHBondContact O-N 2.95Å; E80-A91 HydrophobicContact CB-CB 4.48Å; E80-D92 WeakPolarHBondContact OE1-CB 3.48Å; E80-P95 HydrophobicContact CB-CG 4.4Å; E80-P95 HydrophobicContact CG-CG 4.14Å; E80-N132 PolarHBondContact OE1-ND2 3.27Å
81S95Very high96.4Very high108 Ų10884.6 Ų84.676%0.75545%0.449SS*.THydrogen-bonded Turntrans-75.2-4.2-174.260.70000114.4P79P79-S81 PolarHBondContact O-N 3.38Å
82L95.4Very high96.4Very high96 Ų9684.1 Ų84.150%0.50345%0.447SS..SBendtrans-70.8155.1173.4-55.9-174.4000110.7P79 E80 Y84P79-L82 HydrophobicContact CG-CD1 4.26Å; P79-L82 HydrophobicContact CG-CD2 4.16Å; P79-L82 HydrophobicContact CG-CG 3.91Å; E80-L82 PolarHBondContact O-N 2.95Å; L82-Y84 HydrophobicContact CB-CD2 4.12Å; L82-Y84 HydrophobicContact CB-CE1 4.15Å; L82-Y84 HydrophobicContact CB-CE2 3.65Å; L82-Y84 HydrophobicContact CD1-CE1 4.25Å; L82-Y84 WeakPolarHBondContact CD1-OH 3.28Å; L82-Y84 HydrophobicContact CG-CE2 4.35Å; L82-Y84 WeakPolarHBondContact O-CD2 3.4Å; L82-Y84 PolarHBondContact O-N 3.38Å
83K96.3Very high96.4Very high210 Ų21078.5 Ų78.591%0.91342%0.419SS*.  trans-79.261.8179.6-62.3-177.1-179.1-179.90111.4
84Y97.1Very high96.4Very high52 Ų5278.1 Ų78.120%0.20441%0.414CS..  trans-65.1146.2175.6-58.5-70.8000111V78 P79 L82 T87 M94 P95V78-Y84 WeakPolarHBondContact CG1-OH 3.23Å; P79-Y84 WeakPolarHBondContact O-CE2 3.47Å; P79-Y84 PolarHBondContact O-OH 2.92Å; L82-Y84 HydrophobicContact CB-CD2 4.12Å; L82-Y84 HydrophobicContact CB-CE1 4.15Å; L82-Y84 HydrophobicContact CB-CE2 3.65Å; L82-Y84 HydrophobicContact CD1-CE1 4.25Å; L82-Y84 WeakPolarHBondContact CD1-OH 3.28Å; L82-Y84 HydrophobicContact CG-CE2 4.35Å; L82-Y84 WeakPolarHBondContact O-CD2 3.4Å; L82-Y84 PolarHBondContact O-N 3.38Å; Y84-T87 WeakPolarHBondContact O-CG2 3.49Å; Y84-M94 HydrophobicContact CD1-CB 3.88Å; Y84-M94 HydrophobicContact CD1-CG 3.42Å; Y84-M94 VanDerWaalsContact CD1-CG 3.42Å; Y84-M94 HydrophobicContact CD2-CB 4.21Å; Y84-M94 HydrophobicContact CE1-CG 4.05Å; Y84-M94 HydrophobicContact CG-CB 3.65Å; Y84-M94 HydrophobicContact CG-CG 3.74Å; Y84-P95 HydrophobicContact CD2-CG 4.01Å; Y84-P95 HydrophobicContact CE2-CG 3.53Å
85K97.3Very high96.4Very high213 Ų21377.9 Ų77.993%0.92641%0.413SS*.SBendtrans-81.8-27.8174.5-64.8-177.4-179.8179.50112.6T87K85-T87 PolarHBondContact O-N 3.24Å
86H96.6Very high96.5Very high73 Ų7375.5 Ų75.534%0.33840%0.4SS..  trans-97.588.6-176.8-176.369.1000109.7C88 D93 M94 H97H86-C88 VanDerWaalsContact CE1-SG 3.59Å; H86-D93 IonicContact CD2-OD1 2.78Å; H86-D93 IonicContact CD2-OD2 2.74Å; H86-D93 IonicContact CE1-OD2 2.9Å; H86-D93 IonicContact NE2-OD1 3.19Å; H86-D93 PolarHBondContact NE2-OD1 3.1Å; H86-D93 IonicContact NE2-OD2 3.09Å; H86-D93 PolarHBondContact NE2-OD2 3.16Å; H86-M94 HydrophobicContact CB-CB 4.12Å; H86-M94 HydrophobicContact CB-CG 4.45Å; H86-M94 HydrophobicContact CB-SD 3.9Å; H86-M94 VanDerWaalsContact O-CB 3.22Å; H86-M94 WeakPolarHBondContact O-CB 3.31Å; H86-M94 PolarHBondContact O-N 2.7Å; H86-M94 VanDerWaalsContact O-N 3.13Å; H86-H97 AromaticContact CD2-CD2 3.68Å; H86-H97 AromaticContact CD2-NE2 3.99Å; H86-H97 AromaticContact NE2-CD2 3.62Å; H86-H97 AromaticContact NE2-NE2 3.43Å; H86-H97 PolarHBondContact NE2-NE2 3.02Å
87T94.6Very high96.5Very high74 Ų7470.4 Ų70.445%0.45438%0.376SS..  trans-132.321.9-17762.50000111.6Y84 K85 E89 G90Y84-T87 WeakPolarHBondContact O-CG2 3.49Å; K85-T87 PolarHBondContact O-N 3.24Å; T87-E89 PolarHBondContact O-N 2.84Å; T87-G90 PolarHBondContact O-N 3.32Å
88C94.7Very high96.5Very high104 Ų10466 Ų6670%0.70336%0.357SS*.THydrogen-bonded Turntrans-65.3-27.1-173.8450000112.5H86 D93H86-C88 VanDerWaalsContact CE1-SG 3.59Å; C88-D93 PolarHBondContact N-OD2 2.86Å; C88-D93 PolarHBondContact SG-OD2 3.03Å
89E93.9Very high96.5Very high126 Ų12665.7 Ų65.759%0.58936%0.355SS*.THydrogen-bonded Turntrans-103.913.4177.9-52.1-175.1170.700113.5T87 D93 R131T87-E89 PolarHBondContact O-N 2.84Å; E89-D93 HydrophobicContact CB-CB 4.22Å; E89-D93 PolarHBondContact N-OD2 3.28Å; E89-R131 PolarHBondContact O-NH2 2.87Å; E89-R131 IonicContact OE2-CZ 3.78Å; E89-R131 IonicContact OE2-NH1 3.81Å; E89-R131 PolarHBondContact OE2-NH1 2.78Å; E89-R131 IonicContact OE2-NH2 3.69Å; E89-R131 PolarHBondContact OE2-NH2 3.25Å; E89-R131 VanDerWaalsContact OE2-NH2 3.17Å
90G94.8Very high96.6Very high31 Ų3165.2 Ų65.232%0.3235%0.349SS..  trans119.4-178.8179.200000114.2T87 D92 D93T87-G90 PolarHBondContact O-N 3.32Å; G90-D92 PolarHBondContact O-N 2.79Å; G90-D93 VanDerWaalsContact O-CB 3.28Å; G90-D93 WeakPolarHBondContact O-CB 3.45Å; G90-D93 PolarHBondContact O-N 3.29Å
91A95.7Very high96.6Very high58 Ų5865.6 Ų65.648%0.47936%0.362SS..THydrogen-bonded Turntrans-67.7-21.4-178.100000113.3E80 P95E80-A91 HydrophobicContact CB-CB 4.48Å; A91-P95 WeakPolarHBondContact O-CD 3.31Å; A91-P95 WeakPolarHBondContact O-CG 3.2Å
92D96.8Very high96.7Very high12 Ų1266.2 Ų66.26%0.06436%0.357CS..THydrogen-bonded Turntrans-90.8-0179.762.5-2.2000114.6E80 G90 A96 R131 N132E80-D92 WeakPolarHBondContact OE1-CB 3.48Å; G90-D92 PolarHBondContact O-N 2.79Å; D92-A96 WeakPolarHBondContact O-CB 3.34Å; D92-A96 PolarHBondContact O-N 3.09Å; D92-R131 IonicContact OD1-CZ 3.17Å; D92-R131 IonicContact OD1-NE 3.45Å; D92-R131 PolarHBondContact OD1-NE 2.68Å; D92-R131 IonicContact OD1-NH2 2.71Å; D92-R131 PolarHBondContact OD1-NH2 2.66Å; D92-R131 WeakPolarHBondContact OD2-CA 3.3Å; D92-R131 IonicContact OD2-NE 3.49Å; D92-R131 PolarHBondContact OD2-NE 3.46Å; D92-N132 WeakPolarHBondContact OD2-CB 3.47Å; D92-N132 PolarHBondContact OD2-N 3.19Å; D92-N132 PolarHBondContact OD2-ND2 3.3Å
93D97.2Very high96.8Very high0 Ų063.4 Ų63.40%034%0.342CS..Hα-helixtrans-63.4-72.1-173.3-163.514000112.1H86 C88 E89 G90 A96 H97 R131H86-D93 IonicContact CD2-OD1 2.78Å; H86-D93 IonicContact CD2-OD2 2.74Å; H86-D93 IonicContact CE1-OD2 2.9Å; H86-D93 IonicContact NE2-OD1 3.19Å; H86-D93 PolarHBondContact NE2-OD1 3.1Å; H86-D93 IonicContact NE2-OD2 3.09Å; H86-D93 PolarHBondContact NE2-OD2 3.16Å; C88-D93 PolarHBondContact N-OD2 2.86Å; C88-D93 PolarHBondContact SG-OD2 3.03Å; E89-D93 HydrophobicContact CB-CB 4.22Å; E89-D93 PolarHBondContact N-OD2 3.28Å; G90-D93 VanDerWaalsContact O-CB 3.28Å; G90-D93 WeakPolarHBondContact O-CB 3.45Å; G90-D93 PolarHBondContact O-N 3.29Å; D93-A96 WeakPolarHBondContact O-CB 3.39Å; D93-A96 PolarHBondContact O-N 2.92Å; D93-A96 VanDerWaalsContact O-N 3.12Å; D93-H97 PolarHBondContact O-CD2 3.41Å; D93-H97 PolarHBondContact O-N 3.18Å; D93-H97 IonicContact OD1-CD2 3.78Å; D93-H97 IonicContact OD1-NE2 3.24Å; D93-R131 IonicContact OD1-CZ 2.64Å; D93-R131 IonicContact OD1-NH1 2.61Å; D93-R131 PolarHBondContact OD1-NH1 3.26Å; D93-R131 VanDerWaalsContact OD1-NH1 3.15Å
94M98Very high96.8Very high60 Ų6055.9 Ų55.930%0.29632%0.324SS..Hα-helixtrans-57.9-41.9174.8-169.565.7-131.700114Y84 H86 A96 H97 A98Y84-M94 HydrophobicContact CD1-CB 3.88Å; Y84-M94 HydrophobicContact CD1-CG 3.42Å; Y84-M94 VanDerWaalsContact CD1-CG 3.42Å; Y84-M94 HydrophobicContact CD2-CB 4.21Å; Y84-M94 HydrophobicContact CE1-CG 4.05Å; Y84-M94 HydrophobicContact CG-CB 3.65Å; Y84-M94 HydrophobicContact CG-CG 3.74Å; H86-M94 HydrophobicContact CB-CB 4.12Å; H86-M94 HydrophobicContact CB-CG 4.45Å; H86-M94 HydrophobicContact CB-SD 3.9Å; H86-M94 VanDerWaalsContact O-CB 3.22Å; H86-M94 WeakPolarHBondContact O-CB 3.31Å; H86-M94 PolarHBondContact O-N 2.7Å; H86-M94 VanDerWaalsContact O-N 3.13Å; M94-A96 PolarHBondContact O-N 3.09Å; M94-H97 HydrophobicContact CE-CB 3.97Å; M94-H97 PolarHBondContact O-N 2.84Å; M94-A98 HydrophobicContact CE-CB 4.25Å; M94-A98 PolarHBondContact O-N 3.47Å
95P98Very high96.6Very high0 Ų054.3 Ų54.30%032%0.324CS..Hα-helixtrans-53.4-40.2174.5-3035.9000113.5V78 E80 Y84 A91 A98 K99V78-P95 HydrophobicContact CG1-CB 3.93Å; E80-P95 HydrophobicContact CB-CG 4.4Å; E80-P95 HydrophobicContact CG-CG 4.14Å; Y84-P95 HydrophobicContact CD2-CG 4.01Å; Y84-P95 HydrophobicContact CE2-CG 3.53Å; A91-P95 WeakPolarHBondContact O-CD 3.31Å; A91-P95 WeakPolarHBondContact O-CG 3.2Å; P95-A98 PolarHBondContact O-N 3.2Å; P95-K99 WeakPolarHBondContact O-CB 3.38Å; P95-K99 VanDerWaalsContact O-CG 3.25Å; P95-K99 WeakPolarHBondContact O-CG 3.5Å; P95-K99 PolarHBondContact O-N 3.41Å
96A98.1Very high96.6Very high0 Ų046 Ų460%029%0.291CS..Hα-helixtrans-65.4-41.6179.300000112.8D92 D93 M94 Q100 H130 R131D92-A96 WeakPolarHBondContact O-CB 3.34Å; D92-A96 PolarHBondContact O-N 3.09Å; D93-A96 WeakPolarHBondContact O-CB 3.39Å; D93-A96 PolarHBondContact O-N 2.92Å; D93-A96 VanDerWaalsContact O-N 3.12Å; M94-A96 PolarHBondContact O-N 3.09Å; A96-Q100 VanDerWaalsContact O-CB 3.31Å; A96-Q100 WeakPolarHBondContact O-CB 3.33Å; A96-Q100 PolarHBondContact O-N 2.93Å; A96-H130 HydrophobicContact CB-CB 3.51Å; A96-R131 HydrophobicContact CB-CG 4.13Å
97H97.9Very high96.6Very high46 Ų4644.4 Ų44.421%0.21329%0.289CS..Hα-helixtrans-63.2-43.8173.2-68.9-73.8000112.3T52 H86 D93 M94 Q100 A101T52-H97 WeakPolarHBondContact CB-ND1 3.49Å; T52-H97 PolarHBondContact O-ND1 2.73Å; T52-H97 PolarHBondContact OG1-CE1 2.94Å; H86-H97 AromaticContact CD2-CD2 3.68Å; H86-H97 AromaticContact CD2-NE2 3.99Å; H86-H97 AromaticContact NE2-CD2 3.62Å; H86-H97 AromaticContact NE2-NE2 3.43Å; H86-H97 PolarHBondContact NE2-NE2 3.02Å; D93-H97 PolarHBondContact O-CD2 3.41Å; D93-H97 PolarHBondContact O-N 3.18Å; D93-H97 IonicContact OD1-CD2 3.78Å; D93-H97 IonicContact OD1-NE2 3.24Å; M94-H97 HydrophobicContact CE-CB 3.97Å; M94-H97 PolarHBondContact O-N 2.84Å; H97-Q100 PolarHBondContact O-N 3.43Å; H97-A101 PolarHBondContact O-N 3.35Å
98A98Very high96.8Very high23 Ų2341.8 Ų41.819%0.1927%0.272CS..Hα-helixtrans-65.7-46.8-179.800000111.8V78 M94 P95 Q100 A101 L102V78-A98 HydrophobicContact CG1-CB 3.7Å; V78-A98 HydrophobicContact CG2-CB 4.44Å; M94-A98 HydrophobicContact CE-CB 4.25Å; M94-A98 PolarHBondContact O-N 3.47Å; P95-A98 PolarHBondContact O-N 3.2Å; A98-Q100 PolarHBondContact O-N 3.29Å; A98-A101 PolarHBondContact O-N 2.85Å; A98-L102 WeakPolarHBondContact O-CB 3.26Å; A98-L102 VanDerWaalsContact O-CG 3.28Å; A98-L102 WeakPolarHBondContact O-CG 3.47Å; A98-L102 PolarHBondContact O-N 3Å
99K98.3Very high97Very high0 Ų040.4 Ų40.40%026%0.26CS..Hα-helixtrans-59.5-37.6174-69.8172.8-178.8-175.70111.5E71 L74 N75 V78 P95 L102 L103 H130E71-K99 IonicContact OE1-NZ 2.91Å; L74-K99 HydrophobicContact CB-CD 4.1Å; L74-K99 HydrophobicContact CB-CG 4.38Å; L74-K99 HydrophobicContact CD2-CG 4.33Å; L74-K99 WeakPolarHBondContact O-CE 2.93Å; N75-K99 PolarHBondContact OD1-NZ 3.01Å; V78-K99 HydrophobicContact CB-CG 3.83Å; V78-K99 HydrophobicContact CG1-CG 4.21Å; V78-K99 HydrophobicContact CG2-CG 3.9Å; P95-K99 WeakPolarHBondContact O-CB 3.38Å; P95-K99 VanDerWaalsContact O-CG 3.25Å; P95-K99 WeakPolarHBondContact O-CG 3.5Å; P95-K99 PolarHBondContact O-N 3.41Å; K99-L102 PolarHBondContact O-N 3.44Å; K99-L103 WeakPolarHBondContact O-CB 3.37Å; K99-L103 WeakPolarHBondContact O-CG 3.21Å; K99-L103 PolarHBondContact O-N 3.22Å; K99-H130 HydrophobicContact CD-CB 4.16Å
100Q98Very high97.2Very high25 Ų2534.5 Ų34.512%0.11723%0.233CC..Hα-helixtrans-63-45.6177.8-173.5-91.422.100112.7T52 A54 T55 A96 H97 A98 G105T52-Q100 WeakPolarHBondContact O-CB 3.44Å; A54-Q100 WeakPolarHBondContact O-CG 3.32Å; T55-Q100 VanDerWaalsContact OG1-CA 3.23Å; T55-Q100 WeakPolarHBondContact OG1-CA 3.34Å; A96-Q100 VanDerWaalsContact O-CB 3.31Å; A96-Q100 WeakPolarHBondContact O-CB 3.33Å; A96-Q100 PolarHBondContact O-N 2.93Å; H97-Q100 PolarHBondContact O-N 3.43Å; A98-Q100 PolarHBondContact O-N 3.29Å; Q100-G105 PolarHBondContact O-N 3.49Å; Q100-G105 VanDerWaalsContact O-N 3.09Å
101A97.5Very high97.4Very high66 Ų6636.5 Ų36.555%0.54524%0.24SC..Hα-helixtrans-66.2-43.2177.400000111.8H97 A98 L103 G104H97-A101 PolarHBondContact O-N 3.35Å; A98-A101 PolarHBondContact O-N 2.85Å; A101-L103 VanDerWaalsContact C-N 3.35Å; A101-L103 PolarHBondContact O-N 2.89Å; A101-G104 PolarHBondContact O-N 3.2Å; A101-G104 VanDerWaalsContact O-N 3.12Å
102L97.4Very high97.6Very high121 Ų12133.7 Ų33.763%0.63422%0.217SC*.Hα-helixtrans-65.8-34.9-179-72.5172.7000113.3V78 A98 K99 G104V78-L102 HydrophobicContact CG2-CD1 3.44Å; V78-L102 VanDerWaalsContact CG2-CD1 3.44Å; A98-L102 WeakPolarHBondContact O-CB 3.26Å; A98-L102 VanDerWaalsContact O-CG 3.28Å; A98-L102 WeakPolarHBondContact O-CG 3.47Å; A98-L102 PolarHBondContact O-N 3Å; K99-L102 PolarHBondContact O-N 3.44Å; L102-G104 PolarHBondContact O-N 3.29Å
103L97Very high97.6Very high37 Ų3736.4 Ų36.419%0.19423%0.234CC..THydrogen-bonded Turntrans-77.10.2175.6-72.3178.9000113.8T55 M70 L74 K99 A101 C128T55-L103 HydrophobicContact CG2-CB 3.75Å; T55-L103 HydrophobicContact CG2-CD1 4.32Å; M70-L103 HydrophobicContact CE-CD2 3.52Å; L74-L103 HydrophobicContact CD1-CD1 4.08Å; L74-L103 HydrophobicContact CD2-CD1 4.19Å; L74-L103 HydrophobicContact CD2-CD2 4.05Å; L74-L103 HydrophobicContact CD2-CG 4.06Å; K99-L103 WeakPolarHBondContact O-CB 3.37Å; K99-L103 WeakPolarHBondContact O-CG 3.21Å; K99-L103 PolarHBondContact O-N 3.22Å; A101-L103 VanDerWaalsContact C-N 3.35Å; A101-L103 PolarHBondContact O-N 2.89Å; L103-C128 HydrophobicContact CD1-CB 3.97Å
104G95Very high97.6Very high53 Ų5340.6 Ų40.655%0.54626%0.256SS..THydrogen-bonded Turntrans73.527.8-179.800000113.9A101 L102A101-G104 PolarHBondContact O-N 3.2Å; A101-G104 VanDerWaalsContact O-N 3.12Å; L102-G104 PolarHBondContact O-N 3.29Å
105G93Very high97.6Very high19 Ų1937.8 Ų37.820%0.19624%0.243CC..THydrogen-bonded Turntrans-60.8171169.500000112.4Q100Q100-G105 PolarHBondContact O-N 3.49Å; Q100-G105 VanDerWaalsContact O-N 3.09Å
106P97.2Very high97.5Very high37 Ų3742.9 Ų42.924%0.2427%0.267CS..THydrogen-bonded Turncis-97.37.79.337.7-37.5000114.9F48 I49F48-P106 HydrophobicContact CD2-CG 3.99Å; F48-P106 HydrophobicContact CE1-CG 4.28Å; F48-P106 HydrophobicContact CE2-CB 4.29Å; F48-P106 HydrophobicContact CE2-CG 3.34Å; F48-P106 HydrophobicContact CZ-CB 4.2Å; F48-P106 HydrophobicContact CZ-CG 3.5Å; I49-P106 HydrophobicContact CG2-CB 3.9Å; I49-P106 VanDerWaalsContact CG2-O 3.24Å; I49-P106 WeakPolarHBondContact CG2-O 3.49Å; I49-P106 PolarHBondContact N-O 2.91Å
107S98.3Very high97.6Very high41 Ų4143.3 Ų43.329%0.28727%0.269SS..EExtended strand (participates in β ladder)trans-137.8151.5-168.8660000114.7H46 L47H46-S107 WeakPolarHBondContact CE1-CB 3.38Å; H46-S107 PolarHBondContact CE1-OG 2.91Å; L47-S107 CarbonylContact O-C 3.46Å; L47-S107 WeakPolarHBondContact O-CA 3.4Å; L47-S107 VanDerWaalsContact O-CB 3.23Å; L47-S107 WeakPolarHBondContact O-CB 3.48Å
108I98.5Very high97.6Very high19 Ų1943.3 Ų43.310%0.09728%0.277CS..EExtended strand (participates in β ladder)trans-124.8151.8167.958.7176.1000109.9L47 L56 I58 I110 I125L47-I108 HydrophobicContact CB-CG1 3.95Å; L47-I108 HydrophobicContact CD1-CD1 3.95Å; L47-I108 HydrophobicContact CD1-CG1 4.02Å; L47-I108 PolarHBondContact N-O 3Å; L47-I108 PolarHBondContact O-N 2.97Å; L56-I108 HydrophobicContact CB-CD1 4.19Å; L56-I108 HydrophobicContact CB-CG1 4.24Å; L56-I108 WeakPolarHBondContact O-CG2 3.45Å; I58-I108 HydrophobicContact CD1-CB 4.5Å; I58-I108 HydrophobicContact CD1-CD1 4.29Å; I58-I108 HydrophobicContact CG1-CD1 3.87Å; I108-I110 HydrophobicContact CD1-CD1 3.98Å; I108-I110 HydrophobicContact CD1-CG1 4.44Å; I108-I110 HydrophobicContact CG1-CD1 4.46Å; I108-I125 HydrophobicContact CD1-CB 4.49Å; I108-I125 HydrophobicContact CD1-CG1 4.33Å; I108-I125 HydrophobicContact CD1-CG2 3.57Å
109T98.6Very high97.6Very high75 Ų7543.9 Ų43.946%0.4628%0.277SS..EExtended strand (participates in β ladder)trans-124.7129.8173-56.30000108.9I44 L45 H46I44-T109 HydrophobicContact CB-CG2 4.2Å; L45-T109 CarbonylContact O-C 3.57Å; L45-T109 WeakPolarHBondContact O-CA 3.43Å; H46-T109 PolarHBondContact ND1-OG1 2.85Å
110I98.7Very high97.6Very high2 Ų245.6 Ų45.61%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-124.3125.9-173.5-55155.1000108L45 L47 I58 I108 L117 L119 I125L45-I110 HydrophobicContact CD2-CD1 4.32Å; L45-I110 PolarHBondContact N-O 3.33Å; L45-I110 PolarHBondContact O-N 2.95Å; L47-I110 HydrophobicContact CD1-CD1 3.86Å; I58-I110 HydrophobicContact CD1-CD1 4.46Å; I58-I110 HydrophobicContact CD1-CG1 3.74Å; I108-I110 HydrophobicContact CD1-CD1 3.98Å; I108-I110 HydrophobicContact CD1-CG1 4.44Å; I108-I110 HydrophobicContact CG1-CD1 4.46Å; I110-L117 HydrophobicContact CG2-CB 4.07Å; I110-L117 HydrophobicContact CG2-CD2 4.11Å; I110-L119 HydrophobicContact CG2-CD2 3.94Å; I110-L119 HydrophobicContact CG2-CG 4.17Å; I110-I125 HydrophobicContact CD1-CD1 3.42Å; I110-I125 VanDerWaalsContact CD1-CD1 3.42Å; I110-I125 HydrophobicContact CD1-CG1 3.76Å
111P98.6Very high97.5Very high72 Ų7250.5 Ų50.547%0.46833%0.326SS..EExtended strand (participates in β ladder)trans-65146.4173.6-15.528.6000111.3A118P111-A118 HydrophobicContact CB-CB 4.15Å; P111-A118 WeakPolarHBondContact O-CB 3.25Å; P111-A118 PolarHBondContact O-N 3.18Å
112I98.4Very high97.5Very high0 Ų053.6 Ų53.60%032%0.324CS..EExtended strand (participates in β ladder)trans-109.6128.5171.8-58.7171.5000107.5I37 L40 M42 G43 L45 Q116 L117 I143I37-I112 HydrophobicContact CG1-CD1 4.27Å; I37-I112 HydrophobicContact CG2-CD1 4.37Å; I37-I112 HydrophobicContact CG2-CG1 4.45Å; I37-I112 HydrophobicContact CG2-CG2 3.99Å; L40-I112 HydrophobicContact CB-CG2 4.04Å; L40-I112 HydrophobicContact CD1-CD1 3.66Å; L40-I112 HydrophobicContact CD1-CG2 4.39Å; M42-I112 CarbonylContact C-O 3.54Å; M42-I112 WeakPolarHBondContact CA-O 3.12Å; G43-I112 PolarHBondContact N-O 3.08Å; G43-I112 PolarHBondContact O-N 3.45Å; L45-I112 HydrophobicContact CB-CD1 4.06Å; L45-I112 HydrophobicContact CB-CG1 4.25Å; I112-Q116 CarbonylContact C-O 3.58Å; I112-Q116 WeakPolarHBondContact CA-O 3.4Å; I112-L117 HydrophobicContact CG1-CD2 4.24Å; I112-I143 HydrophobicContact CD1-CG2 4.08Å
113T97.8Very high97.5Very high69 Ų6952.4 Ų52.442%0.42332%0.315SS..EExtended strand (participates in β ladder)trans-136.7130.8176.1-63.60000109.1G115 Q116T113-G115 PolarHBondContact O-N 2.91Å; T113-Q116 PolarHBondContact N-O 3.19Å; T113-Q116 PolarHBondContact O-N 3.48Å
114N97.3Very high97.6Very high87 Ų8750.7 Ų50.747%0.46531%0.306SS..THydrogen-bonded Turntrans45.451.8-178.2-62.1-39.4000110.8Q41 Q116 R148Q41-N114 PolarHBondContact NE2-OD1 3.34Å; Q41-N114 PolarHBondContact O-N 2.84Å; N114-Q116 PolarHBondContact O-N 2.95Å; N114-Q116 VanDerWaalsContact O-N 3.11Å; N114-R148 PolarHBondContact O-NH2 3.44Å
115G97Very high97.7Very high2 Ų248.1 Ų48.12%0.02128%0.28CS..THydrogen-bonded Turntrans47.934.1-179.100000115.8I37 L40 T113 R148I37-G115 CarbonylContact O-C 3.28Å; I37-G115 WeakPolarHBondContact O-CA 3.41Å; L40-G115 WeakPolarHBondContact O-CA 3.16Å; L40-G115 PolarHBondContact O-N 3.17Å; T113-G115 PolarHBondContact O-N 2.91Å; G115-R148 VanDerWaalsContact N-NH2 3.19Å
116Q97.8Very high97.9Very high107 Ų10747.3 Ų47.350%0.527%0.271SS..EExtended strand (participates in β ladder)trans-127.3149.7170.7-65.1-63.7-33.200108.8I112 T113 N114 A118I112-Q116 CarbonylContact C-O 3.58Å; I112-Q116 WeakPolarHBondContact CA-O 3.4Å; T113-Q116 PolarHBondContact N-O 3.19Å; T113-Q116 PolarHBondContact O-N 3.48Å; N114-Q116 PolarHBondContact O-N 2.95Å; N114-Q116 VanDerWaalsContact O-N 3.11Å; Q116-A118 PolarHBondContact O-N 3.26Å
117L98.3Very high98Very high8 Ų845.5 Ų45.54%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-63.4120.9164.7-60.6-178.1000108.2R31 I37 L45 I110 I112 L119 I125R31-L117 HydrophobicContact CG-CD1 4.1Å; I37-L117 HydrophobicContact CD1-CD2 3.87Å; I37-L117 HydrophobicContact CD1-CG 4.33Å; I37-L117 HydrophobicContact CG2-CD2 4.39Å; L45-L117 HydrophobicContact CB-CD2 4.23Å; L45-L117 HydrophobicContact CD2-CD2 3.65Å; I110-L117 HydrophobicContact CG2-CB 4.07Å; I110-L117 HydrophobicContact CG2-CD2 4.11Å; I112-L117 HydrophobicContact CG1-CD2 4.24Å; L117-L119 HydrophobicContact CB-CD1 4.1Å; L117-L119 HydrophobicContact CB-CG 4.13Å; L117-L119 HydrophobicContact CD1-CD1 4.31Å; L117-L119 PolarHBondContact O-N 3.13Å; L117-I125 HydrophobicContact CD1-CD1 3.98Å
118A98.2Very high98Very high47 Ų4743.6 Ų43.639%0.38825%0.246SC..  trans-80.854.3-178.100000111.3P111 Q116P111-A118 HydrophobicContact CB-CB 4.15Å; P111-A118 WeakPolarHBondContact O-CB 3.25Å; P111-A118 PolarHBondContact O-N 3.18Å; Q116-A118 PolarHBondContact O-N 3.26Å
119L98.3Very high97.9Very high34 Ų3442.7 Ų42.718%0.17824%0.242CC..  trans-77.6148.1173.1-66.4167.5000109.6T27 I58 I110 L117 Q123T27-L119 HydrophobicContact CG2-CD1 4.22Å; I58-L119 HydrophobicContact CD1-CD2 4.19Å; I58-L119 HydrophobicContact CG2-CD2 4.06Å; I110-L119 HydrophobicContact CG2-CD2 3.94Å; I110-L119 HydrophobicContact CG2-CG 4.17Å; L117-L119 HydrophobicContact CB-CD1 4.1Å; L117-L119 HydrophobicContact CB-CG 4.13Å; L117-L119 HydrophobicContact CD1-CD1 4.31Å; L117-L119 PolarHBondContact O-N 3.13Å; L119-Q123 HydrophobicContact CB-CB 4.05Å; L119-Q123 HydrophobicContact CD2-CB 4.15Å
120G98Very high97.9Very high36 Ų3639.1 Ų39.137%0.37122%0.22SC..  trans-63.7164.2168.400000112.2W122 Q123G120-W122 PolarHBondContact O-N 3.12Å; G120-Q123 PolarHBondContact O-N 3.36Å
121T96.9Very high97.9Very high128 Ų12840.3 Ų40.379%0.78522%0.224SC*.THydrogen-bonded Turntrans-48.9-40.4-175.5-53.50000113.5
122W97.2Very high97.7Very high132 Ų13240.5 Ų40.550%0.522%0.221SC..THydrogen-bonded Turntrans-100.7-2.7-178.5-56.4132.3000113.9E60 S61 W62 G120E60-W122 CarbonylContact C-O 3.59Å; E60-W122 VanDerWaalsContact C-O 3.28Å; E60-W122 WeakPolarHBondContact CA-O 3.4Å; E60-W122 HydrophobicContact CG-CB 4.31Å; S61-W122 PolarHBondContact N-O 3.01Å; W62-W122 HydrophobicContact CB-CD2 4.43Å; W62-W122 HydrophobicContact CB-CE3 3.6Å; W62-W122 HydrophobicContact CB-CZ3 3.83Å; W62-W122 HydrophobicContact CD2-CE3 4.08Å; W62-W122 AromaticContact CD2-CH2 3.98Å; W62-W122 HydrophobicContact CD2-CH2 3.98Å; W62-W122 AromaticContact CD2-CZ3 3.34Å; W62-W122 HydrophobicContact CD2-CZ3 3.34Å; W62-W122 AromaticContact CE2-CZ3 3.94Å; W62-W122 HydrophobicContact CE3-CE3 4.28Å; W62-W122 HydrophobicContact CE3-CH2 4.38Å; W62-W122 AromaticContact CE3-CZ3 3.51Å; W62-W122 HydrophobicContact CE3-CZ3 3.51Å; W62-W122 AromaticContact CG-CE3 3.8Å; W62-W122 HydrophobicContact CG-CE3 3.8Å; W62-W122 HydrophobicContact CG-CH2 4.16Å; W62-W122 AromaticContact CG-CZ3 3.49Å; W62-W122 HydrophobicContact CG-CZ3 3.49Å; W62-W122 VanDerWaalsContact CG-CZ3 3.49Å; W62-W122 HydrophobicContact CZ3-CZ3 4.19Å; G120-W122 PolarHBondContact O-N 3.12Å
123Q98.2Very high97.4Very high95 Ų9545.5 Ų45.544%0.44426%0.256SS..EExtended strand (participates in β ladder)trans-83132.8-176.4-74.9-178.8-34.600111.8I58 N59 L119 G120I58-Q123 HydrophobicContact CG2-CB 3.76Å; I58-Q123 HydrophobicContact CG2-CG 3.92Å; N59-Q123 WeakPolarHBondContact O-CA 3.42Å; L119-Q123 HydrophobicContact CB-CB 4.05Å; L119-Q123 HydrophobicContact CD2-CB 4.15Å; G120-Q123 PolarHBondContact O-N 3.36Å
124G97.7Very high97Very high1 Ų142.3 Ų42.31%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-134.2160.8169.100000112T27 I58 N59 S61T27-G124 WeakPolarHBondContact OG1-CA 3.28Å; I58-G124 WeakPolarHBondContact CA-O 3.46Å; N59-G124 PolarHBondContact N-O 3.14Å; N59-G124 PolarHBondContact O-N 2.86Å; S61-G124 PolarHBondContact OG-N 3.04Å
125I98.3Very high96.8Very high0 Ų041.1 Ų41.10%024%0.235CC..EExtended strand (participates in β ladder)trans-83.1126.1174.7-51.5169.6000108.6V26 T27 I30 L47 L56 I108 I110 L117V26-I125 HydrophobicContact CG2-CB 4.31Å; V26-I125 HydrophobicContact CG2-CG2 3.87Å; V26-I125 WeakPolarHBondContact CG2-O 3.3Å; V26-I125 PolarHBondContact N-O 2.74Å; T27-I125 PolarHBondContact N-O 3.27Å; T27-I125 PolarHBondContact OG1-N 2.9Å; I30-I125 HydrophobicContact CB-CD1 4.4Å; I30-I125 HydrophobicContact CD1-CB 4.44Å; I30-I125 HydrophobicContact CD1-CD1 3.93Å; I30-I125 HydrophobicContact CD1-CG2 3.82Å; I30-I125 HydrophobicContact CG2-CD1 4.21Å; L47-I125 HydrophobicContact CD1-CD1 3.95Å; L56-I125 HydrophobicContact CD2-CG2 4.45Å; I108-I125 HydrophobicContact CD1-CB 4.49Å; I108-I125 HydrophobicContact CD1-CG1 4.33Å; I108-I125 HydrophobicContact CD1-CG2 3.57Å; I110-I125 HydrophobicContact CD1-CD1 3.42Å; I110-I125 VanDerWaalsContact CD1-CD1 3.42Å; I110-I125 HydrophobicContact CD1-CG1 3.76Å; L117-I125 HydrophobicContact CD1-CD1 3.98Å
126W97.6Very high96.8Very high1 Ų143.6 Ų43.60%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-108.5143.1179.2-67.821.1000110.5C23 H24 Y25 L56 T57 N59 E60 V66 T67 M70C23-W126 HydrophobicContact CB-CD2 4.5Å; C23-W126 HydrophobicContact CB-CE3 3.65Å; C23-W126 HydrophobicContact CB-CZ3 3.67Å; H24-W126 CarbonylContact O-C 3.56Å; H24-W126 VanDerWaalsContact O-CA 3.3Å; H24-W126 WeakPolarHBondContact O-CA 3.44Å; Y25-W126 AromaticContact CD1-CD1 3.63Å; Y25-W126 HydrophobicContact CD1-CG 4.37Å; Y25-W126 AromaticContact CD1-NE1 3.43Å; Y25-W126 AromaticContact CE1-CD1 3.94Å; Y25-W126 HydrophobicContact CE1-CD2 4.48Å; Y25-W126 AromaticContact CE1-CE2 3.57Å; Y25-W126 AromaticContact CE1-CZ2 3.85Å; Y25-W126 HydrophobicContact CE1-CZ2 3.85Å; Y25-W126 AromaticContact CE1-NE1 3.25Å; Y25-W126 VanDerWaalsContact CE1-NE1 3.25Å; L56-W126 VanDerWaalsContact CA-O 3.31Å; L56-W126 WeakPolarHBondContact CA-O 3.25Å; L56-W126 WeakPolarHBondContact CD2-O 3.22Å; T57-W126 HydrophobicContact CG2-CB 3.85Å; T57-W126 HydrophobicContact CG2-CE3 4.25Å; T57-W126 HydrophobicContact CG2-CG 4.42Å; T57-W126 PolarHBondContact N-O 3.19Å; T57-W126 VanDerWaalsContact N-O 3.11Å; T57-W126 PolarHBondContact O-N 2.86Å; N59-W126 HydrophobicContact CB-CD2 3.91Å; N59-W126 HydrophobicContact CB-CE3 4.16Å; N59-W126 HydrophobicContact CB-CH2 4.01Å; N59-W126 HydrophobicContact CB-CZ2 3.71Å; N59-W126 HydrophobicContact CB-CZ3 4.21Å; E60-W126 WeakPolarHBondContact O-CZ2 3.46Å; E60-W126 PolarHBondContact O-NE1 3.45Å; V66-W126 HydrophobicContact CB-CH2 4.36Å; V66-W126 HydrophobicContact CG1-CH2 3.79Å; V66-W126 HydrophobicContact CG1-CZ2 4.14Å; T67-W126 HydrophobicContact CG2-CH2 3.94Å; T67-W126 HydrophobicContact CG2-CZ2 3.91Å; T67-W126 HydrophobicContact CG2-CZ3 4.4Å; M70-W126 HydrophobicContact CB-CH2 4.3Å; M70-W126 HydrophobicContact CB-CZ3 3.9Å; M70-W126 HydrophobicContact CG-CZ3 3.92Å
127L97.9Very high96.8Very high0 Ų038.9 Ų38.90%023%0.23CC..EExtended strand (participates in β ladder)trans-101.3110.7156.7173.865.8000107.8L16 R19 H24 V26 I49 A54 T55 L56 E129 R137L16-L127 HydrophobicContact CB-CD2 4.49Å; L16-L127 HydrophobicContact CD1-CB 4.45Å; L16-L127 HydrophobicContact CD1-CD1 4.45Å; L16-L127 HydrophobicContact CD1-CD2 4.17Å; R19-L127 HydrophobicContact CG-CD2 4.18Å; H24-L127 PolarHBondContact CD2-O 2.85Å; H24-L127 PolarHBondContact N-O 2.65Å; H24-L127 PolarHBondContact O-N 2.78Å; V26-L127 HydrophobicContact CG1-CB 3.72Å; V26-L127 HydrophobicContact CG2-CB 4.17Å; I49-L127 HydrophobicContact CD1-CD1 3.69Å; A54-L127 HydrophobicContact CB-CD1 4.12Å; T55-L127 WeakPolarHBondContact O-CA 3.48Å; L56-L127 HydrophobicContact CD2-CB 4.34Å; L56-L127 HydrophobicContact CD2-CD1 4.25Å; L127-E129 PolarHBondContact O-N 3.49Å; L127-R137 HydrophobicContact CD1-CB 4.48Å; L127-R137 HydrophobicContact CD1-CG 4.19Å; L127-R137 HydrophobicContact CD2-CG 4.17Å
128C97.9Very high96.9Very high1 Ų141.5 Ų41.51%0.00724%0.242CC..EExtended strand (participates in β ladder)trans-86.5103.9167.5-56.80000108.1A54 T55 L103 H130A54-C128 VanDerWaalsContact CA-O 3.3Å; A54-C128 WeakPolarHBondContact CA-O 3.18Å; T55-C128 PolarHBondContact N-O 2.8Å; T55-C128 PolarHBondContact O-N 3.47Å; L103-C128 HydrophobicContact CD1-CB 3.97Å; C128-H130 VanDerWaalsContact CB-CE1 3.47Å; C128-H130 WeakPolarHBondContact CB-CE1 3.45Å
129E98.2Very high96.9Very high0 Ų039.3 Ų39.30%022%0.224CC..EExtended strand (participates in β ladder)trans-87115173.5175.253.7-103.600108.8R19 S20 R21 G22 L127 R131 R137R19-E129 HydrophobicContact CB-CB 4.32Å; S20-E129 WeakPolarHBondContact O-CB 3.34Å; S20-E129 WeakPolarHBondContact O-CG 3.46Å; R21-E129 CarbonylContact C-O 3.55Å; R21-E129 VanDerWaalsContact CA-O 3.28Å; R21-E129 WeakPolarHBondContact CA-O 3.3Å; G22-E129 PolarHBondContact N-O 3.43Å; G22-E129 PolarHBondContact O-N 3.48Å; L127-E129 PolarHBondContact O-N 3.49Å; E129-R131 WeakPolarHBondContact OE1-CB 3.4Å; E129-R131 PolarHBondContact OE1-N 3.45Å; E129-R137 IonicContact OE1-CZ 3.03Å; E129-R137 IonicContact OE1-NH2 3.3Å; E129-R137 PolarHBondContact OE1-NH2 3.03Å; E129-R137 IonicContact OE2-CZ 3.63Å; E129-R137 VanDerWaalsContact OE2-CZ 3.24Å; E129-R137 IonicContact OE2-NE 2.7Å; E129-R137 PolarHBondContact OE2-NE 3.29Å; E129-R137 IonicContact OE2-NH2 3.04Å; E129-R137 PolarHBondContact OE2-NH2 3.24Å
130H97.9Very high96.9Very high0 Ų038.6 Ų38.60%022%0.221CC..  trans-95.7-12.7-174.7-54-56.5000113.2R21 S53 T55 A96 K99 C128R21-H130 PolarHBondContact NE-O 3.16Å; R21-H130 PolarHBondContact NH2-O 3.08Å; S53-H130 WeakPolarHBondContact O-CB 3.34Å; S53-H130 PolarHBondContact O-N 3.15Å; T55-H130 PolarHBondContact OG1-NE2 2.93Å; A96-H130 HydrophobicContact CB-CB 3.51Å; K99-H130 HydrophobicContact CD-CB 4.16Å; C128-H130 VanDerWaalsContact CB-CE1 3.47Å; C128-H130 WeakPolarHBondContact CB-CE1 3.45Å
131R97.6Very high96.9Very high26 Ų2636.9 Ų36.910%0.09820%0.203CC..SBendtrans-91.3139.8177.1-55.9-59.8-70-91.1-13.1111.1R21 E89 D92 D93 A96 E129 S133R21-R131 WeakPolarHBondContact CA-O 3.46Å; R21-R131 WeakPolarHBondContact CB-O 3.38Å; R21-R131 PolarHBondContact N-O 2.78Å; E89-R131 PolarHBondContact O-NH2 2.87Å; E89-R131 IonicContact OE2-CZ 3.78Å; E89-R131 IonicContact OE2-NH1 3.81Å; E89-R131 PolarHBondContact OE2-NH1 2.78Å; E89-R131 IonicContact OE2-NH2 3.69Å; E89-R131 PolarHBondContact OE2-NH2 3.25Å; E89-R131 VanDerWaalsContact OE2-NH2 3.17Å; D92-R131 IonicContact OD1-CZ 3.17Å; D92-R131 IonicContact OD1-NE 3.45Å; D92-R131 PolarHBondContact OD1-NE 2.68Å; D92-R131 IonicContact OD1-NH2 2.71Å; D92-R131 PolarHBondContact OD1-NH2 2.66Å; D92-R131 WeakPolarHBondContact OD2-CA 3.3Å; D92-R131 IonicContact OD2-NE 3.49Å; D92-R131 PolarHBondContact OD2-NE 3.46Å; D93-R131 IonicContact OD1-CZ 2.64Å; D93-R131 IonicContact OD1-NH1 2.61Å; D93-R131 PolarHBondContact OD1-NH1 3.26Å; D93-R131 VanDerWaalsContact OD1-NH1 3.15Å; A96-R131 HydrophobicContact CB-CG 4.13Å; E129-R131 WeakPolarHBondContact OE1-CB 3.4Å; E129-R131 PolarHBondContact OE1-N 3.45Å; R131-S133 PolarHBondContact O-N 3.21Å
132N95.5Very high97Very high77 Ų7731.9 Ų31.941%0.41217%0.173SC..THydrogen-bonded Turntrans-58.2-40.1175.3-69.5-43.1000111.2R21 E80 D92R21-N132 PolarHBondContact NE-OD1 2.99Å; R21-N132 PolarHBondContact NH1-OD1 2.88Å; E80-N132 PolarHBondContact OE1-ND2 3.27Å; D92-N132 WeakPolarHBondContact OD2-CB 3.47Å; D92-N132 PolarHBondContact OD2-N 3.19Å; D92-N132 PolarHBondContact OD2-ND2 3.3Å
133S92.1Very high97.1Very high104 Ų10425.6 Ų25.673%0.72715%0.149SC*.THydrogen-bonded Turntrans-119.860.1176.8-66.40000111.9R131R131-S133 PolarHBondContact O-N 3.21Å
134G88.5Confident97.1Very high2 Ų224.4 Ų24.42%0.02114%0.143CC..  trans-55.5148.9175.600000113.4K18K18-G134 WeakPolarHBondContact CD-O 3.24Å; K18-G134 WeakPolarHBondContact CE-O 3.19Å; K18-G134 VanDerWaalsContact CG-O 3.24Å; K18-G134 WeakPolarHBondContact CG-O 3.45Å
135S93.8Very high97Very high62 Ų6224.9 Ų24.943%0.43415%0.148SC..  trans-91-177170.559.70000110.7
136S97.6Very high96.9Very high55 Ų5527.1 Ų27.139%0.38516%0.163SC..  trans-63.8145.4165.5500000110.1L16L16-S136 WeakPolarHBondContact O-CA 3.19Å; L16-S136 WeakPolarHBondContact O-CB 3.21Å
137R98.2Very high96.8Very high7 Ų730.2 Ų30.23%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-109.2132-175.6-57.9-57-173.4166.15.1110.5L16 I49 H51 S53 A54 L127 E129L16-R137 HydrophobicContact CB-CB 4.42Å; L16-R137 PolarHBondContact N-O 2.61Å; L16-R137 PolarHBondContact O-N 2.64Å; I49-R137 HydrophobicContact CD1-CB 4.05Å; I49-R137 HydrophobicContact CD1-CG 4.36Å; I49-R137 HydrophobicContact CG1-CB 4.4Å; H51-R137 PolarHBondContact ND1-NH1 2.86Å; S53-R137 PolarHBondContact OG-NH1 3.33Å; S53-R137 VanDerWaalsContact OG-NH1 3.16Å; S53-R137 PolarHBondContact OG-NH2 3.05Å; A54-R137 HydrophobicContact CB-CG 4.34Å; L127-R137 HydrophobicContact CD1-CB 4.48Å; L127-R137 HydrophobicContact CD1-CG 4.19Å; L127-R137 HydrophobicContact CD2-CG 4.17Å; E129-R137 IonicContact OE1-CZ 3.03Å; E129-R137 IonicContact OE1-NH2 3.3Å; E129-R137 PolarHBondContact OE1-NH2 3.03Å; E129-R137 IonicContact OE2-CZ 3.63Å; E129-R137 VanDerWaalsContact OE2-CZ 3.24Å; E129-R137 IonicContact OE2-NE 2.7Å; E129-R137 PolarHBondContact OE2-NE 3.29Å; E129-R137 IonicContact OE2-NH2 3.04Å; E129-R137 PolarHBondContact OE2-NH2 3.24Å
138Q98.6Very high96.3Very high64 Ų6437.5 Ų37.530%0.29921%0.207SC..EExtended strand (participates in β ladder)trans-93.4132.2178.2-65.1-66.916.800109.5T13 I14 T15 Q50 H51T13-Q138 HydrophobicContact CG2-CB 4.36Å; I14-Q138 PolarHBondContact O-OE1 2.83Å; T15-Q138 VanDerWaalsContact OG1-CD 3.3Å; T15-Q138 PolarHBondContact OG1-NE2 2.79Å; T15-Q138 PolarHBondContact OG1-OE1 3.45Å; Q50-Q138 HydrophobicContact CB-CB 4.37Å; Q50-Q138 PolarHBondContact N-O 3.09Å; H51-Q138 PolarHBondContact CD2-N 3.05Å; H51-Q138 VanDerWaalsContact CD2-N 3.32Å; H51-Q138 PolarHBondContact NE2-N 2.87Å
139V98.8Very high96.2Very high1 Ų139.4 Ų39.41%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-128.8121.1-179.3-177.80000108.8T13 I14 L16 L47 F48 I49 L56 A141T13-V139 CarbonylContact C-O 3.59Å; T13-V139 WeakPolarHBondContact CA-O 3.34Å; I14-V139 PolarHBondContact N-O 3.49Å; I14-V139 PolarHBondContact O-N 3.25Å; L16-V139 HydrophobicContact CD1-CG2 3.74Å; L16-V139 HydrophobicContact CG-CG2 4.01Å; L47-V139 HydrophobicContact CB-CG1 3.98Å; L47-V139 HydrophobicContact CD2-CG1 3.89Å; F48-V139 CarbonylContact O-C 3.51Å; F48-V139 WeakPolarHBondContact O-CA 3.37Å; I49-V139 HydrophobicContact CG1-CG2 4.18Å; L56-V139 HydrophobicContact CD1-CG1 3.7Å; L56-V139 HydrophobicContact CD1-CG2 3.91Å; V139-A141 PolarHBondContact O-N 3.32Å
140V98.8Very high96.1Very high19 Ų1941.4 Ų41.412%0.11523%0.228CC..EExtended strand (participates in β ladder)trans-83.3113.2169.4-179.40000107.7Q11 F48 Q50Q11-V140 HydrophobicContact CG-CG1 3.77Å; F48-V140 HydrophobicContact CB-CB 4.47Å; F48-V140 PolarHBondContact N-O 3.04Å; F48-V140 PolarHBondContact O-N 3.31Å; Q50-V140 HydrophobicContact CG-CG2 3.98Å
141A98.8Very high96Very high0 Ų043.7 Ų43.70%024%0.241CC..EExtended strand (participates in β ladder)trans-95.6119.6172.900000109.3Q11 R12 I14 L34 L45 H46 L47 V139Q11-A141 CarbonylContact C-O 3.41Å; Q11-A141 VanDerWaalsContact CA-O 3.25Å; Q11-A141 WeakPolarHBondContact CA-O 3.5Å; Q11-A141 WeakPolarHBondContact CG-O 3.47Å; R12-A141 PolarHBondContact N-O 2.91Å; R12-A141 PolarHBondContact O-N 3.44Å; I14-A141 HydrophobicContact CD1-CB 3.74Å; I14-A141 HydrophobicContact CG1-CB 4.33Å; L34-A141 HydrophobicContact CD1-CB 3.72Å; L34-A141 HydrophobicContact CD2-CB 3.81Å; L34-A141 HydrophobicContact CG-CB 4.33Å; L45-A141 HydrophobicContact CD1-CB 4.12Å; H46-A141 CarbonylContact O-C 3.5Å; H46-A141 WeakPolarHBondContact O-CA 3.48Å; L47-A141 HydrophobicContact CD2-CB 3.73Å; V139-A141 PolarHBondContact O-N 3.32Å
142T98.8Very high95.9Very high23 Ų2344.8 Ų44.814%0.14125%0.249CC..EExtended strand (participates in β ladder)trans-114.9125.6173.3-51.90000108.8W9 F10 Q11 H46W9-T142 HydrophobicContact CE3-CG2 4.3Å; W9-T142 HydrophobicContact CZ3-CG2 4.2Å; F10-T142 CarbonylContact O-C 3.56Å; F10-T142 WeakPolarHBondContact O-CA 3.42Å; Q11-T142 PolarHBondContact NE2-OG1 2.73Å; H46-T142 PolarHBondContact N-O 2.87Å; H46-T142 PolarHBondContact O-N 2.92Å
143I98.4Very high95.9Very high0 Ų042.8 Ų42.80%024%0.239CC..EExtended strand (participates in β ladder)trans-113.8129.2179.1-65.8177.6000108Y8 W9 F10 L34 E36 I37 L40 I44 L45 I112Y8-I143 HydrophobicContact CD1-CG2 4.33Å; Y8-I143 HydrophobicContact CE1-CG2 4.3Å; W9-I143 WeakPolarHBondContact CA-O 3.49Å; F10-I143 HydrophobicContact CB-CB 4.26Å; F10-I143 HydrophobicContact CD1-CB 4.3Å; F10-I143 HydrophobicContact CD1-CD1 3.95Å; F10-I143 HydrophobicContact CD1-CG1 4.32Å; F10-I143 HydrophobicContact CE1-CD1 4.49Å; F10-I143 PolarHBondContact N-O 3.33Å; F10-I143 PolarHBondContact O-N 3.41Å; L34-I143 HydrophobicContact CB-CD1 4.4Å; L34-I143 HydrophobicContact CD1-CD1 4.45Å; L34-I143 HydrophobicContact CD2-CD1 4.25Å; E36-I143 HydrophobicContact CB-CD1 4.25Å; I37-I143 HydrophobicContact CG1-CD1 3.82Å; L40-I143 HydrophobicContact CD1-CG2 3.26Å; I44-I143 WeakPolarHBondContact O-CA 3.39Å; L45-I143 HydrophobicContact CD1-CD1 4.36Å; L45-I143 HydrophobicContact CD1-CG1 3.68Å; I112-I143 HydrophobicContact CD1-CG2 4.08Å
144Q97.9Very high96.2Very high70 Ų7038.7 Ų38.733%0.32721%0.207SC..EExtended strand (participates in β ladder)trans-131.3133.7172.7-177.1-171.7-0.300109.2Y8 W9 G43 I44Y8-Q144 VanDerWaalsContact O-CA 3.31Å; Y8-Q144 WeakPolarHBondContact O-CA 3.06Å; W9-Q144 HydrophobicContact CD2-CB 4.19Å; W9-Q144 HydrophobicContact CD2-CG 3.9Å; W9-Q144 HydrophobicContact CE3-CB 3.94Å; W9-Q144 HydrophobicContact CE3-CG 4.11Å; W9-Q144 HydrophobicContact CH2-CB 4.15Å; W9-Q144 HydrophobicContact CH2-CG 3.86Å; W9-Q144 HydrophobicContact CZ2-CB 4.37Å; W9-Q144 HydrophobicContact CZ2-CG 3.62Å; W9-Q144 HydrophobicContact CZ3-CB 3.92Å; W9-Q144 HydrophobicContact CZ3-CG 4.08Å; G43-Q144 CarbonylContact C-O 3.59Å; G43-Q144 WeakPolarHBondContact CA-O 3.41Å; I44-Q144 HydrophobicContact CG1-CB 4.05Å; I44-Q144 PolarHBondContact N-O 3.2Å; I44-Q144 PolarHBondContact O-N 2.95Å
145G97Very high96.7Very high10 Ų1041.3 Ų41.310%0.10322%0.22CC..EExtended strand (participates in β ladder)trans177.2-160.9176.200000115.1Y8 M42Y8-G145 WeakPolarHBondContact CB-O 3.46Å; Y8-G145 PolarHBondContact N-O 3.3Å; Y8-G145 PolarHBondContact O-N 3.24Å; M42-G145 CarbonylContact O-C 3.58Å; M42-G145 WeakPolarHBondContact O-CA 3.28Å
146C95.8Very high96.9Very high47 Ų4739.7 Ų39.732%0.31820%0.204SC..EExtended strand (participates in β ladder)trans-114.4133.2175.9-59.90000109.3R5 L40 Q41 M42R5-C146 HydrophobicContact CB-CB 4.19Å; L40-C146 CarbonylContact C-O 3.6Å; L40-C146 WeakPolarHBondContact CA-O 3.33Å; L40-C146 WeakPolarHBondContact CD2-O 3.24Å; Q41-C146 PolarHBondContact N-O 3.17Å; M42-C146 PolarHBondContact O-N 3.2Å
147L94.1Very high96.9Very high66 Ų6638.4 Ų38.435%0.34619%0.189SC..EExtended strand (participates in β ladder)trans-64.7158.8176.1-65.8174.6000112.2R5 Y8 Q39 L40R5-L147 WeakPolarHBondContact CD-O 3.14Å; R5-L147 PolarHBondContact NH1-O 3.35Å; Y8-L147 HydrophobicContact CD2-CD1 4.12Å; Y8-L147 HydrophobicContact CD2-CD2 3.59Å; Y8-L147 HydrophobicContact CD2-CG 4Å; Y8-L147 HydrophobicContact CE2-CD2 4.01Å; Y8-L147 HydrophobicContact CG-CD2 3.88Å; Y8-L147 HydrophobicContact CG-CG 4.27Å; Q39-L147 HydrophobicContact CB-CD2 4.07Å; Q39-L147 WeakPolarHBondContact O-CA 3.33Å; L40-L147 HydrophobicContact CD2-CD2 4.16Å
148R87.6Confident96.8Very high154 Ų15441.3 Ų41.358%0.58120%0.203SC*.  trans-690174.6-70.2-171.2-173.6173.63.3113.7R5 G38 Q39 L40 Q41 N114 G115R5-R148 VanDerWaalsContact CZ-OXT 3.23Å; R5-R148 VanDerWaalsContact NH1-CA 3.33Å; R5-R148 PolarHBondContact NH1-OXT 3.2Å; R5-R148 PolarHBondContact NH2-OXT 2.89Å; G38-R148 PolarHBondContact O-NE 3.01Å; G38-R148 PolarHBondContact O-NH1 2.81Å; G38-R148 PolarHBondContact O-NH2 3.32Å; Q39-R148 WeakPolarHBondContact O-CG 3.04Å; Q39-R148 PolarHBondContact O-N 3.17Å; L40-R148 WeakPolarHBondContact O-CG 3.23Å; L40-R148 PolarHBondContact O-NE 2.71Å; L40-R148 VanDerWaalsContact O-NE 3.07Å; Q41-R148 HydrophobicContact CB-CG 4.11Å; N114-R148 PolarHBondContact O-NH2 3.44Å; G115-R148 VanDerWaalsContact N-NH2 3.19Å

Retrieved 148 of 148 residues in 57.3 ms (Link to these results)

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