DAGK_STAAM Loading...

Diacylglycerol kinase

Catalyzes the phosphorylation of diacylglycerol (DAG) into phosphatidic acid. Is a key enzyme involved in the production of lipoteichoic acid by reintroducing DAG formed from the breakdown of membrane phospholipids into the phosphatidylglycerol biosynthetic pathway.

AlphaFold DB (Q2FWZ2), UniProt , Accession Q99SY8, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene dagK, Length 315 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M83.9Confident96.5Very high232 Ų23261.7 Ų61.7100%1.14328%0.275SS*.  0151.20-67-151.4-71.400108.2
2R92.1Very high96.4Very high157 Ų15764.3 Ų64.359%0.59230%0.3SS*.  trans-67.7132.6175.5-164.6105.6173.2171.2-7.4109.2E30 E35R2-E30 IonicContact CZ-OE2 3.44Å; R2-E30 IonicContact NH2-OE2 2.54Å; R2-E30 PolarHBondContact NH2-OE2 3.08Å; R2-E35 HydrophobicContact CG-CB 4.26Å
3K97.7Very high95.8Very high93 Ų9360.2 Ų60.240%0.40428%0.282SS..EExtended strand (participates in β ladder)trans-100.7162.3173.1-67.6179.9-176.9174.80110.1G33 Y34 E35 D60K3-G33 PolarHBondContact N-O 3.01Å; K3-Y34 HydrophobicContact CB-CD1 3.54Å; K3-Y34 HydrophobicContact CB-CE1 3.6Å; K3-Y34 HydrophobicContact CB-CG 4.26Å; K3-Y34 HydrophobicContact CD-CD1 4.37Å; K3-Y34 HydrophobicContact CD-CE1 3.61Å; K3-Y34 HydrophobicContact CD-CE2 4.43Å; K3-Y34 HydrophobicContact CG-CE1 4.28Å; K3-Y34 PolarHBondContact NZ-OH 2.97Å; K3-Y34 CarbonylContact O-C 3.52Å; K3-Y34 WeakPolarHBondContact O-CA 3.29Å; K3-E35 PolarHBondContact O-N 3.42Å; K3-D60 WeakPolarHBondContact CA-OD2 3.37Å; K3-D60 HydrophobicContact CB-CB 4.23Å; K3-D60 WeakPolarHBondContact CB-OD2 3.24Å
4R98.6Very high95.2Very high81 Ų8158.4 Ų58.431%0.30629%0.288SS..EExtended strand (participates in β ladder)trans-113.3127.7177.1-64.2172.264.9736.2110.1E35 E57 Y59 D60 V61R4-E35 WeakPolarHBondContact CA-O 3.43Å; R4-E35 IonicContact CZ-OE1 3.75Å; R4-E35 IonicContact NH1-OE1 2.72Å; R4-E35 PolarHBondContact NH1-OE1 3.34Å; R4-E57 PolarHBondContact NE-O 3.39Å; R4-Y59 HydrophobicContact CB-CD1 3.82Å; R4-Y59 HydrophobicContact CB-CE1 4.42Å; R4-D60 PolarHBondContact N-OD2 3.22Å; R4-D60 PolarHBondContact O-N 3.01Å; R4-V61 PolarHBondContact O-N 2.79Å
5A98.8Very high94.8Very high0 Ų066.3 Ų66.30%032%0.32CS..EExtended strand (participates in β ladder)trans-120.6142.6174.800000111.7Y34 E35 T36 S37 V61 I63A5-Y34 HydrophobicContact CB-CD1 3.8Å; A5-Y34 HydrophobicContact CB-CG 4.27Å; A5-E35 PolarHBondContact N-O 3.19Å; A5-T36 HydrophobicContact CB-CG2 4.03Å; A5-T36 WeakPolarHBondContact O-CA 3.28Å; A5-S37 PolarHBondContact O-N 2.75Å; A5-V61 WeakPolarHBondContact CA-O 3.47Å; A5-V61 HydrophobicContact CB-CB 4.36Å; A5-V61 HydrophobicContact CB-CG1 4.28Å; A5-I63 HydrophobicContact CB-CD1 4.36Å
6R98.8Very high94.7Very high32 Ų3269.4 Ų69.412%0.12133%0.334CS..EExtended strand (participates in β ladder)trans-122.3116.7172.2-174.563.5169.3-167.4-4.9110.2I8 S37 E50 Y59 V61 L62 I63R6-I8 HydrophobicContact CG-CG1 4.37Å; R6-S37 WeakPolarHBondContact CA-O 3.38Å; R6-S37 WeakPolarHBondContact CD-OG 3.46Å; R6-S37 VanDerWaalsContact NH1-CB 3.3Å; R6-S37 PolarHBondContact NH1-OG 3.11Å; R6-E50 IonicContact CZ-OE1 3.49Å; R6-E50 IonicContact NE-OE1 3.44Å; R6-E50 PolarHBondContact NE-OE1 3.02Å; R6-E50 IonicContact NH2-OE1 3.17Å; R6-E50 PolarHBondContact NH2-OE1 3.36Å; R6-Y59 HydrophobicContact CB-CD1 3.73Å; R6-Y59 HydrophobicContact CB-CD2 3.88Å; R6-Y59 HydrophobicContact CB-CE1 3.67Å; R6-Y59 HydrophobicContact CB-CE2 3.77Å; R6-Y59 HydrophobicContact CB-CG 3.85Å; R6-Y59 HydrophobicContact CG-CD2 4.49Å; R6-Y59 HydrophobicContact CG-CE1 4.44Å; R6-Y59 HydrophobicContact CG-CE2 4.01Å; R6-V61 PolarHBondContact N-O 2.96Å; R6-L62 HydrophobicContact CB-CD2 3.68Å; R6-L62 HydrophobicContact CG-CD2 4.02Å; R6-L62 WeakPolarHBondContact O-CA 3.3Å; R6-I63 PolarHBondContact O-N 2.97Å
7I98.9Very high94.6Very high0 Ų069.7 Ų69.70%034%0.337CS..EExtended strand (participates in β ladder)trans-85.6122.1172.4-59.3171.9000108.5Y9 F18 L22 L26 L29 T36 S37 A38 Y39 I63 A65I7-Y9 HydrophobicContact CG2-CD1 4.33Å; I7-F18 HydrophobicContact CD1-CZ 4.48Å; I7-F18 HydrophobicContact CG2-CE1 3.66Å; I7-F18 HydrophobicContact CG2-CZ 3.76Å; I7-L22 HydrophobicContact CD1-CD1 3.93Å; I7-L26 HydrophobicContact CD1-CD2 4.05Å; I7-L29 HydrophobicContact CD1-CD1 3.98Å; I7-L29 HydrophobicContact CG1-CD1 4.47Å; I7-T36 HydrophobicContact CD1-CG2 3.76Å; I7-T36 HydrophobicContact CG1-CG2 3.91Å; I7-S37 PolarHBondContact N-O 2.85Å; I7-A38 HydrophobicContact CB-CB 4.15Å; I7-A38 CarbonylContact O-C 3.49Å; I7-A38 VanDerWaalsContact O-CA 3.29Å; I7-A38 WeakPolarHBondContact O-CA 3.25Å; I7-Y39 PolarHBondContact O-N 3.32Å; I7-I63 CarbonylContact C-O 3.58Å; I7-I63 WeakPolarHBondContact CA-O 3.4Å; I7-I63 HydrophobicContact CG1-CB 4.14Å; I7-I63 HydrophobicContact CG1-CD1 4.14Å; I7-A65 HydrophobicContact CG2-CB 4.32Å
8I98.9Very high94.7Very high0 Ų066.1 Ų66.10%032%0.32CS..EExtended strand (participates in β ladder)trans-109.5111.8169.7-54178.2000106.1R6 Y39 T41 A47 E50 A51 L62 I63 A64 A65 V74R6-I8 HydrophobicContact CG-CG1 4.37Å; I8-Y39 HydrophobicContact CG2-CD1 4.27Å; I8-T41 HydrophobicContact CG2-CG2 4.28Å; I8-A47 HydrophobicContact CG2-CB 3.75Å; I8-E50 HydrophobicContact CD1-CB 4.18Å; I8-E50 HydrophobicContact CD1-CG 3.58Å; I8-E50 HydrophobicContact CG1-CG 3.65Å; I8-E50 HydrophobicContact CG2-CB 4.46Å; I8-E50 HydrophobicContact CG2-CG 4.27Å; I8-A51 HydrophobicContact CD1-CB 3.97Å; I8-L62 HydrophobicContact CD1-CD2 3.9Å; I8-L62 HydrophobicContact CG1-CD2 4.39Å; I8-I63 PolarHBondContact N-O 3.12Å; I8-A64 WeakPolarHBondContact O-CA 3.46Å; I8-A65 PolarHBondContact O-N 2.87Å; I8-V74 HydrophobicContact CB-CG2 4.15Å; I8-V74 HydrophobicContact CD1-CG2 3.94Å; I8-V74 HydrophobicContact CG2-CG2 4.08Å
9Y98.7Very high94.8Very high18 Ų1869.3 Ų69.37%0.07133%0.332CS..EExtended strand (participates in β ladder)trans-126.4143.2-173.977.5-84.1000113.2I7 P11 F18 K19 L22 A38 Y39 A40 T41 A65I7-Y9 HydrophobicContact CG2-CD1 4.33Å; Y9-P11 HydrophobicContact CD2-CB 4.44Å; Y9-P11 HydrophobicContact CE2-CB 4.02Å; Y9-P11 WeakPolarHBondContact O-CD 3.45Å; Y9-F18 HydrophobicContact CD1-CD1 4.49Å; Y9-F18 HydrophobicContact CD1-CE1 4.25Å; Y9-F18 AromaticContact CD2-CD1 3.78Å; Y9-F18 HydrophobicContact CD2-CD1 3.78Å; Y9-F18 HydrophobicContact CD2-CE1 4.34Å; Y9-F18 AromaticContact CG-CD1 3.7Å; Y9-F18 HydrophobicContact CG-CD1 3.7Å; Y9-F18 AromaticContact CG-CE1 3.82Å; Y9-F18 HydrophobicContact CG-CE1 3.82Å; Y9-K19 HydrophobicContact CE2-CB 4.05Å; Y9-K19 HydrophobicContact CE2-CG 4.2Å; Y9-L22 HydrophobicContact CE1-CD2 3.97Å; Y9-A38 HydrophobicContact CE1-CB 4.31Å; Y9-Y39 WeakPolarHBondContact CD1-O 3.32Å; Y9-Y39 PolarHBondContact N-O 3.02Å; Y9-A40 HydrophobicContact CD1-CB 4.43Å; Y9-A40 HydrophobicContact CE1-CB 3.66Å; Y9-A40 HydrophobicContact CE2-CB 4Å; Y9-A40 VanDerWaalsContact CZ-CB 3.41Å; Y9-A40 WeakPolarHBondContact O-CA 3.25Å; Y9-A40 WeakPolarHBondContact OH-CB 3.5Å; Y9-T41 PolarHBondContact O-N 3.05Å; Y9-A65 WeakPolarHBondContact CA-O 3.37Å; Y9-A65 WeakPolarHBondContact CB-O 3.14Å
10N98Very high94.9Very high36 Ų3676 Ų7619%0.19335%0.354CS..  trans-93.9109.2171.3177.3-0.8000109.8T12 S13 T41 A65 T70N10-T12 PolarHBondContact O-N 3.17Å; N10-T12 VanDerWaalsContact O-N 3.14Å; N10-T12 PolarHBondContact OD1-N 3.05Å; N10-T12 PolarHBondContact OD1-OG1 3.22Å; N10-S13 WeakPolarHBondContact O-CB 3.45Å; N10-S13 PolarHBondContact O-N 2.9Å; N10-S13 VanDerWaalsContact O-N 3.14Å; N10-T41 WeakPolarHBondContact CA-OG1 3.46Å; N10-A65 PolarHBondContact N-O 3.22Å; N10-T70 HydrophobicContact CB-CG2 4.31Å; N10-T70 WeakPolarHBondContact CB-OG1 3.48Å
11P97.2Very high95.1Very high30 Ų3075.9 Ų75.920%0.19535%0.353CS..THydrogen-bonded Turntrans-64.1-19-17826.4-34000113.7Y9 K19 T41Y9-P11 HydrophobicContact CD2-CB 4.44Å; Y9-P11 HydrophobicContact CE2-CB 4.02Å; Y9-P11 WeakPolarHBondContact O-CD 3.45Å; P11-K19 HydrophobicContact CB-CD 4.3Å; P11-T41 VanDerWaalsContact CD-O 3.24Å; P11-T41 WeakPolarHBondContact CD-O 3.43Å; P11-T41 WeakPolarHBondContact CG-O 3.34Å
12T94.7Very high95.7Very high93 Ų9366 Ų6657%0.57131%0.305SS*.THydrogen-bonded Turntrans-97.23.8-179.866.80000113.5N10N10-T12 PolarHBondContact O-N 3.17Å; N10-T12 VanDerWaalsContact O-N 3.14Å; N10-T12 PolarHBondContact OD1-N 3.05Å; N10-T12 PolarHBondContact OD1-OG1 3.22Å
13S89.6Confident96Very high10 Ų1062.1 Ų62.17%0.0730%0.3CS..SBendtrans-71.2132.9-177.1-173.30000112.5N10 K15 E16 G66 G67 M92 G93N10-S13 WeakPolarHBondContact O-CB 3.45Å; N10-S13 PolarHBondContact O-N 2.9Å; N10-S13 VanDerWaalsContact O-N 3.14Å; S13-K15 PolarHBondContact O-N 2.94Å; S13-E16 WeakPolarHBondContact O-CA 3.45Å; S13-E16 PolarHBondContact O-N 3.31Å; S13-G66 WeakPolarHBondContact OG-CA 3.43Å; S13-G67 PolarHBondContact OG-N 2.89Å; S13-G67 VanDerWaalsContact OG-N 3.1Å; S13-M92 CarbonylContact C-O 3.49Å; S13-M92 VanDerWaalsContact C-O 3.28Å; S13-M92 PolarHBondContact OG-O 2.86Å; S13-G93 WeakPolarHBondContact OG-CA 3.07Å; S13-G93 PolarHBondContact OG-N 2.94Å
14G87.5Confident96.1Very high36 Ų3661.7 Ų61.737%0.37130%0.302SS..THydrogen-bonded Turntrans53.7-115.9171.300000113.2E16 M92G14-E16 VanDerWaalsContact C-N 3.29Å; G14-M92 VanDerWaalsContact CA-O 3.23Å; G14-M92 WeakPolarHBondContact CA-O 3.42Å; G14-M92 PolarHBondContact N-O 2.87Å
15K88.8Confident96.1Very high176 Ų17657.9 Ų57.977%0.76529%0.288SS*.THydrogen-bonded Turntrans-85.75.1179.4-64.7178.1-176.5171.10113.8S13 L17S13-K15 PolarHBondContact O-N 2.94Å; K15-L17 HydrophobicContact CB-CD1 3.8Å; K15-L17 HydrophobicContact CB-CG 3.72Å; K15-L17 HydrophobicContact CD-CD1 4.08Å; K15-L17 PolarHBondContact O-N 3.17Å
16E92.9Very high96.1Very high117 Ų11760.1 Ų60.155%0.54730%0.3SS..SBendtrans58.429.5179.5-52-175.5-175.100114S13 G14S13-E16 WeakPolarHBondContact O-CA 3.45Å; S13-E16 PolarHBondContact O-N 3.31Å; G14-E16 VanDerWaalsContact C-N 3.29Å
17L93.4Very high96.1Very high74 Ų7462.7 Ų62.739%0.38732%0.315SS..  trans-85-32.7-172.9-63.4175000113.4K15 K19 R20 E21 M92K15-L17 HydrophobicContact CB-CD1 3.8Å; K15-L17 HydrophobicContact CB-CG 3.72Å; K15-L17 HydrophobicContact CD-CD1 4.08Å; K15-L17 PolarHBondContact O-N 3.17Å; L17-K19 VanDerWaalsContact C-N 3.28Å; L17-K19 PolarHBondContact O-N 3.23Å; L17-K19 VanDerWaalsContact O-N 3.16Å; L17-R20 WeakPolarHBondContact O-CB 3.49Å; L17-R20 PolarHBondContact O-N 2.85Å; L17-E21 PolarHBondContact O-N 3.23Å; L17-M92 HydrophobicContact CB-CE 4.06Å
18F96.5Very high96Very high4 Ų465.1 Ų65.12%0.01833%0.325CS..Hα-helixtrans-59.2-37-167.9-172.7-98.6000113.4I7 Y9 R20 E21 L22 A65 I90 M92 I108I7-F18 HydrophobicContact CD1-CZ 4.48Å; I7-F18 HydrophobicContact CG2-CE1 3.66Å; I7-F18 HydrophobicContact CG2-CZ 3.76Å; Y9-F18 HydrophobicContact CD1-CD1 4.49Å; Y9-F18 HydrophobicContact CD1-CE1 4.25Å; Y9-F18 AromaticContact CD2-CD1 3.78Å; Y9-F18 HydrophobicContact CD2-CD1 3.78Å; Y9-F18 HydrophobicContact CD2-CE1 4.34Å; Y9-F18 AromaticContact CG-CD1 3.7Å; Y9-F18 HydrophobicContact CG-CD1 3.7Å; Y9-F18 AromaticContact CG-CE1 3.82Å; Y9-F18 HydrophobicContact CG-CE1 3.82Å; F18-R20 PolarHBondContact O-N 3.31Å; F18-E21 CarbonylContact O-C 3.57Å; F18-E21 PolarHBondContact O-N 2.69Å; F18-E21 VanDerWaalsContact O-N 3.13Å; F18-L22 HydrophobicContact CE1-CD1 4.07Å; F18-L22 HydrophobicContact CZ-CD1 4.38Å; F18-L22 PolarHBondContact O-N 2.67Å; F18-A65 HydrophobicContact CD1-CB 3.77Å; F18-A65 HydrophobicContact CD2-CB 3.94Å; F18-A65 HydrophobicContact CE1-CB 3.53Å; F18-A65 HydrophobicContact CE2-CB 3.73Å; F18-A65 HydrophobicContact CG-CB 3.97Å; F18-A65 HydrophobicContact CZ-CB 3.51Å; F18-I90 HydrophobicContact CD2-CG2 4.09Å; F18-I90 HydrophobicContact CE2-CB 4.49Å; F18-I90 HydrophobicContact CE2-CD1 3.6Å; F18-I90 HydrophobicContact CE2-CG2 4.01Å; F18-I90 HydrophobicContact CZ-CD1 4.02Å; F18-M92 HydrophobicContact CB-CE 4.11Å; F18-M92 HydrophobicContact CB-CG 3.94Å; F18-M92 HydrophobicContact CB-SD 4.21Å; F18-M92 HydrophobicContact CD2-CG 4.14Å; F18-M92 HydrophobicContact CD2-SD 4.25Å; F18-M92 HydrophobicContact CG-CG 4.26Å; F18-I108 HydrophobicContact CD2-CD1 3.97Å; F18-I108 HydrophobicContact CD2-CG1 4.12Å; F18-I108 HydrophobicContact CD2-CG2 4.2Å; F18-I108 HydrophobicContact CE2-CG2 4.06Å
19K97Very high96Very high128 Ų12865.1 Ų65.156%0.55733%0.325SS*.Hα-helixtrans-58.8-33177.9-173.4174.6-178.3174.60112.7Y9 P11 L17Y9-K19 HydrophobicContact CE2-CB 4.05Å; Y9-K19 HydrophobicContact CE2-CG 4.2Å; P11-K19 HydrophobicContact CB-CD 4.3Å; L17-K19 VanDerWaalsContact C-N 3.28Å; L17-K19 PolarHBondContact O-N 3.23Å; L17-K19 VanDerWaalsContact O-N 3.16Å
20R96.7Very high96Very high202 Ų20267.1 Ų67.176%0.76234%0.336SS*.Hα-helixtrans-77.7-33.4178.9-62.7-177.8-178.3179.22.2112L17 F18 P23L17-R20 WeakPolarHBondContact O-CB 3.49Å; L17-R20 PolarHBondContact O-N 2.85Å; F18-R20 PolarHBondContact O-N 3.31Å; R20-P23 WeakPolarHBondContact O-CD 3.39Å
21E97.4Very high96Very high75 Ų7573.8 Ų73.835%0.3536%0.363SS..Hα-helixtrans-85.2-10179.8-63.1-64.6149.600113.2L17 F18 P23 D24 A25 I108L17-E21 PolarHBondContact O-N 3.23Å; F18-E21 CarbonylContact O-C 3.57Å; F18-E21 PolarHBondContact O-N 2.69Å; F18-E21 VanDerWaalsContact O-N 3.13Å; E21-P23 VanDerWaalsContact C-CD 3.44Å; E21-D24 PolarHBondContact O-N 3.24Å; E21-D24 VanDerWaalsContact O-N 3.08Å; E21-A25 PolarHBondContact O-N 2.98Å; E21-I108 HydrophobicContact CB-CD1 3.81Å; E21-I108 HydrophobicContact CG-CD1 3.69Å
22L98.4Very high96.1Very high23 Ų2374.4 Ų74.412%0.1237%0.371CS..Hα-helixtrans-51.8-43.6-178.2-18062.9000113.6I7 Y9 F18 D24 A25 L26 A38I7-L22 HydrophobicContact CD1-CD1 3.93Å; Y9-L22 HydrophobicContact CE1-CD2 3.97Å; F18-L22 HydrophobicContact CE1-CD1 4.07Å; F18-L22 HydrophobicContact CZ-CD1 4.38Å; F18-L22 PolarHBondContact O-N 2.67Å; L22-D24 VanDerWaalsContact C-N 3.34Å; L22-D24 PolarHBondContact O-N 3.29Å; L22-A25 PolarHBondContact O-N 3.36Å; L22-L26 HydrophobicContact CD1-CD1 4.35Å; L22-L26 HydrophobicContact CD1-CD2 4.37Å; L22-L26 HydrophobicContact CD1-CG 4.07Å; L22-L26 HydrophobicContact CG-CD1 4.18Å; L22-L26 HydrophobicContact CG-CG 4.35Å; L22-L26 VanDerWaalsContact O-CG 3.25Å; L22-L26 WeakPolarHBondContact O-CG 3.2Å; L22-L26 PolarHBondContact O-N 3.33Å; L22-A38 HydrophobicContact CD1-CB 3.99Å; L22-A38 HydrophobicContact CD2-CB 4.04Å
23P98.5Very high96.2Very high76 Ų7671.2 Ų71.249%0.49436%0.356SS..Hα-helixtrans-58.4-43.1177.2-24.435.7000113.3R20 E21 L26 I27R20-P23 WeakPolarHBondContact O-CD 3.39Å; E21-P23 VanDerWaalsContact C-CD 3.44Å; P23-L26 PolarHBondContact O-N 2.88Å; P23-I27 WeakPolarHBondContact O-CG1 3.27Å; P23-I27 PolarHBondContact O-N 3.05Å
24D98.4Very high96.7Very high85 Ų8571 Ų7146%0.45535%0.353SS..Hα-helixtrans-73-36.4-179.8-69.7-41.5000111.6E21 L22 L26 I27 K28 M109E21-D24 PolarHBondContact O-N 3.24Å; E21-D24 VanDerWaalsContact O-N 3.08Å; L22-D24 VanDerWaalsContact C-N 3.34Å; L22-D24 PolarHBondContact O-N 3.29Å; D24-L26 VanDerWaalsContact C-N 3.35Å; D24-L26 PolarHBondContact O-N 3.24Å; D24-I27 PolarHBondContact O-N 3.21Å; D24-K28 WeakPolarHBondContact O-CB 3.46Å; D24-K28 PolarHBondContact O-N 3.26Å; D24-M109 HydrophobicContact CB-CE 3.76Å
25A98.5Very high97.2Very high0 Ų073.5 Ų73.50%036%0.355CS..Hα-helixtrans-59-44.8171.200000111.9E21 L22 K28 L29 L112E21-A25 PolarHBondContact O-N 2.98Å; L22-A25 PolarHBondContact O-N 3.36Å; A25-K28 PolarHBondContact O-N 3.28Å; A25-L29 PolarHBondContact O-N 3.2Å; A25-L112 HydrophobicContact CB-CD1 3.69Å
26L98.7Very high97.7Very high48 Ų4865.9 Ų65.925%0.25132%0.324SS..Hα-helixtrans-62.5-45.6175.6-68.5174.2000111.3I7 L22 P23 D24 K28 L29 E30 T36I7-L26 HydrophobicContact CD1-CD2 4.05Å; L22-L26 HydrophobicContact CD1-CD1 4.35Å; L22-L26 HydrophobicContact CD1-CD2 4.37Å; L22-L26 HydrophobicContact CD1-CG 4.07Å; L22-L26 HydrophobicContact CG-CD1 4.18Å; L22-L26 HydrophobicContact CG-CG 4.35Å; L22-L26 VanDerWaalsContact O-CG 3.25Å; L22-L26 WeakPolarHBondContact O-CG 3.2Å; L22-L26 PolarHBondContact O-N 3.33Å; P23-L26 PolarHBondContact O-N 2.88Å; D24-L26 VanDerWaalsContact C-N 3.35Å; D24-L26 PolarHBondContact O-N 3.24Å; L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 3.29Å; L26-L29 PolarHBondContact O-N 3.05Å; L26-E30 VanDerWaalsContact O-CB 3.27Å; L26-E30 WeakPolarHBondContact O-CB 3.35Å; L26-E30 WeakPolarHBondContact O-CG 3.12Å; L26-E30 PolarHBondContact O-N 3.14Å; L26-T36 HydrophobicContact CD2-CG2 3.54Å
27I98.6Very high97.9Very high85 Ų8562 Ų6244%0.43631%0.31SS..Hα-helixtrans-58.8-43.8177.1-70.5166.3000111.2P23 D24 K31P23-I27 WeakPolarHBondContact O-CG1 3.27Å; P23-I27 PolarHBondContact O-N 3.05Å; D24-I27 PolarHBondContact O-N 3.21Å; I27-K31 HydrophobicContact CG2-CD 4.11Å; I27-K31 WeakPolarHBondContact O-CB 3.45Å; I27-K31 WeakPolarHBondContact O-CG 3.39Å; I27-K31 PolarHBondContact O-N 3.49Å
28K98.6Very high98.2Very high51 Ų5160.2 Ų60.222%0.22231%0.306CS..Hα-helixtrans-63.7-48.1-179.3-169.7-179.5168.893.50111.3D24 A25 L26 K31 A32 M109 L112 D113 I116D24-K28 WeakPolarHBondContact O-CB 3.46Å; D24-K28 PolarHBondContact O-N 3.26Å; A25-K28 PolarHBondContact O-N 3.28Å; L26-K28 VanDerWaalsContact C-N 3.32Å; L26-K28 PolarHBondContact O-N 3.29Å; K28-K31 PolarHBondContact O-N 3.34Å; K28-A32 PolarHBondContact O-N 3.18Å; K28-A32 VanDerWaalsContact O-N 3.12Å; K28-M109 HydrophobicContact CD-SD 3.71Å; K28-L112 HydrophobicContact CD-CB 3.87Å; K28-L112 HydrophobicContact CD-CD1 3.95Å; K28-D113 WeakPolarHBondContact CE-OD1 3.41Å; K28-D113 IonicContact NZ-OD1 2.59Å; K28-D113 PolarHBondContact NZ-OD1 3.5Å; K28-D113 IonicContact NZ-OD2 3.04Å; K28-D113 PolarHBondContact NZ-OD2 3.34Å; K28-I116 HydrophobicContact CD-CD1 4.21Å; K28-I116 HydrophobicContact CG-CD1 3.76Å
29L98.7Very high98.3Very high0 Ų062.7 Ų62.70%032%0.315CS..Hα-helixtrans-65.8-41.2178.4-73.9165.8000112.8I7 A25 L26 K31 A32 G33 Y34 T36 I63 L112 I115 I116I7-L29 HydrophobicContact CD1-CD1 3.98Å; I7-L29 HydrophobicContact CG1-CD1 4.47Å; A25-L29 PolarHBondContact O-N 3.2Å; L26-L29 PolarHBondContact O-N 3.05Å; L29-K31 PolarHBondContact O-N 3.17Å; L29-A32 CarbonylContact O-C 3.55Å; L29-A32 WeakPolarHBondContact O-CA 3.3Å; L29-A32 WeakPolarHBondContact O-CB 3.46Å; L29-A32 PolarHBondContact O-N 3.24Å; L29-A32 VanDerWaalsContact O-N 3.13Å; L29-G33 PolarHBondContact O-N 3.12Å; L29-Y34 HydrophobicContact CD2-CD2 4.33Å; L29-Y34 PolarHBondContact O-N 3.11Å; L29-T36 HydrophobicContact CB-CG2 4.44Å; L29-T36 WeakPolarHBondContact CB-OG1 3.46Å; L29-T36 HydrophobicContact CD1-CG2 3.74Å; L29-I63 HydrophobicContact CD1-CD1 3.67Å; L29-I63 HydrophobicContact CD2-CD1 4.12Å; L29-L112 HydrophobicContact CD1-CD2 3.78Å; L29-L112 HydrophobicContact CD2-CD2 4.02Å; L29-L112 HydrophobicContact CG-CD2 3.88Å; L29-I115 HydrophobicContact CD2-CG2 4.46Å; L29-I116 HydrophobicContact CD2-CD1 4.37Å; L29-I116 HydrophobicContact CD2-CG1 4.09Å
30E98.3Very high98.4Very high61 Ų6158.3 Ų58.329%0.28530%0.302SS..Hα-helixtrans-62.6-42176.7-75.4-73174.400112R2 L26 A32 G33 Y34 E35 T36R2-E30 IonicContact CZ-OE2 3.44Å; R2-E30 IonicContact NH2-OE2 2.54Å; R2-E30 PolarHBondContact NH2-OE2 3.08Å; L26-E30 VanDerWaalsContact O-CB 3.27Å; L26-E30 WeakPolarHBondContact O-CB 3.35Å; L26-E30 WeakPolarHBondContact O-CG 3.12Å; L26-E30 PolarHBondContact O-N 3.14Å; E30-A32 VanDerWaalsContact C-N 3.26Å; E30-A32 PolarHBondContact O-N 2.85Å; E30-G33 PolarHBondContact O-N 2.69Å; E30-Y34 WeakPolarHBondContact CA-O 3.45Å; E30-E35 WeakPolarHBondContact OE1-CA 3.33Å; E30-T36 PolarHBondContact OE1-N 3.1Å
31K98.2Very high98.5Very high176 Ų17649.2 Ų49.277%0.76527%0.27SS*.Hα-helixtrans-64.1-31.2173.7-77.1177.7178.4176.70112.6I27 K28 L29 G33I27-K31 HydrophobicContact CG2-CD 4.11Å; I27-K31 WeakPolarHBondContact O-CB 3.45Å; I27-K31 WeakPolarHBondContact O-CG 3.39Å; I27-K31 PolarHBondContact O-N 3.49Å; K28-K31 PolarHBondContact O-N 3.34Å; L29-K31 PolarHBondContact O-N 3.17Å; K31-G33 PolarHBondContact O-N 2.78Å
32A98.2Very high98.5Very high43 Ų4354.2 Ų54.236%0.35529%0.293SS..THydrogen-bonded Turntrans-78.9-1.4173.400000113.8K28 L29 E30 Y34 I116K28-A32 PolarHBondContact O-N 3.18Å; K28-A32 VanDerWaalsContact O-N 3.12Å; L29-A32 CarbonylContact O-C 3.55Å; L29-A32 WeakPolarHBondContact O-CA 3.3Å; L29-A32 WeakPolarHBondContact O-CB 3.46Å; L29-A32 PolarHBondContact O-N 3.24Å; L29-A32 VanDerWaalsContact O-N 3.13Å; E30-A32 VanDerWaalsContact C-N 3.26Å; E30-A32 PolarHBondContact O-N 2.85Å; A32-Y34 HydrophobicContact CB-CD2 4.35Å; A32-I116 HydrophobicContact CB-CB 4.25Å; A32-I116 HydrophobicContact CB-CD1 3.85Å; A32-I116 HydrophobicContact CB-CG1 3.67Å; A32-I116 HydrophobicContact CB-CG2 3.61Å
33G98.1Very high98.4Very high25 Ų2559.3 Ų59.326%0.25831%0.314SS..THydrogen-bonded Turntrans9514.2174.600000115.5K3 L29 E30 K31K3-G33 PolarHBondContact N-O 3.01Å; L29-G33 PolarHBondContact O-N 3.12Å; E30-G33 PolarHBondContact O-N 2.69Å; K31-G33 PolarHBondContact O-N 2.78Å
34Y98.6Very high98.2Very high6 Ų662 Ų622%0.02432%0.323CS..EExtended strand (participates in β ladder)trans-96.4115.7172.8-70.4-91.6000111.4K3 A5 L29 E30 A32 T36 V61K3-Y34 HydrophobicContact CB-CD1 3.54Å; K3-Y34 HydrophobicContact CB-CE1 3.6Å; K3-Y34 HydrophobicContact CB-CG 4.26Å; K3-Y34 HydrophobicContact CD-CD1 4.37Å; K3-Y34 HydrophobicContact CD-CE1 3.61Å; K3-Y34 HydrophobicContact CD-CE2 4.43Å; K3-Y34 HydrophobicContact CG-CE1 4.28Å; K3-Y34 PolarHBondContact NZ-OH 2.97Å; K3-Y34 CarbonylContact O-C 3.52Å; K3-Y34 WeakPolarHBondContact O-CA 3.29Å; A5-Y34 HydrophobicContact CB-CD1 3.8Å; A5-Y34 HydrophobicContact CB-CG 4.27Å; L29-Y34 HydrophobicContact CD2-CD2 4.33Å; L29-Y34 PolarHBondContact O-N 3.11Å; E30-Y34 WeakPolarHBondContact CA-O 3.45Å; A32-Y34 HydrophobicContact CB-CD2 4.35Å; Y34-T36 WeakPolarHBondContact CB-OG1 3.37Å; Y34-T36 PolarHBondContact O-N 3.37Å; Y34-T36 VanDerWaalsContact O-N 3.11Å; Y34-T36 PolarHBondContact O-OG1 2.84Å; Y34-V61 HydrophobicContact CE1-CB 4.24Å; Y34-V61 HydrophobicContact CE1-CG2 3.9Å
35E98.5Very high98.2Very high88 Ų8859 Ų5941%0.41131%0.313SS..EExtended strand (participates in β ladder)trans-64.6108.2159.9-178.7-177.2116.100108.1R2 K3 R4 A5 E30R2-E35 HydrophobicContact CG-CB 4.26Å; K3-E35 PolarHBondContact O-N 3.42Å; R4-E35 WeakPolarHBondContact CA-O 3.43Å; R4-E35 IonicContact CZ-OE1 3.75Å; R4-E35 IonicContact NH1-OE1 2.72Å; R4-E35 PolarHBondContact NH1-OE1 3.34Å; A5-E35 PolarHBondContact N-O 3.19Å; E30-E35 WeakPolarHBondContact OE1-CA 3.33Å
36T98.7Very high98.2Very high16 Ų1659.4 Ų59.410%0.09831%0.314CS..EExtended strand (participates in β ladder)trans-116.2130.8-166.8-52.40000111.5A5 I7 L26 L29 E30 Y34A5-T36 HydrophobicContact CB-CG2 4.03Å; A5-T36 WeakPolarHBondContact O-CA 3.28Å; I7-T36 HydrophobicContact CD1-CG2 3.76Å; I7-T36 HydrophobicContact CG1-CG2 3.91Å; L26-T36 HydrophobicContact CD2-CG2 3.54Å; L29-T36 HydrophobicContact CB-CG2 4.44Å; L29-T36 WeakPolarHBondContact CB-OG1 3.46Å; L29-T36 HydrophobicContact CD1-CG2 3.74Å; E30-T36 PolarHBondContact OE1-N 3.1Å; Y34-T36 WeakPolarHBondContact CB-OG1 3.37Å; Y34-T36 PolarHBondContact O-N 3.37Å; Y34-T36 VanDerWaalsContact O-N 3.11Å; Y34-T36 PolarHBondContact O-OG1 2.84Å
37S98.6Very high98.2Very high37 Ų3757.1 Ų57.126%0.25930%0.302SS..EExtended strand (participates in β ladder)trans-124.8164.4172.665.80000110.9A5 R6 I7 Y59A5-S37 PolarHBondContact O-N 2.75Å; R6-S37 WeakPolarHBondContact CA-O 3.38Å; R6-S37 WeakPolarHBondContact CD-OG 3.46Å; R6-S37 VanDerWaalsContact NH1-CB 3.3Å; R6-S37 PolarHBondContact NH1-OG 3.11Å; I7-S37 PolarHBondContact N-O 2.85Å; S37-Y59 PolarHBondContact OG-OH 2.87Å
38A98.8Very high98.2Very high36 Ų3654.4 Ų54.430%0.29829%0.29SS..EExtended strand (participates in β ladder)trans-133.7148.6-174.400000112.8I7 Y9 L22I7-A38 HydrophobicContact CB-CB 4.15Å; I7-A38 CarbonylContact O-C 3.49Å; I7-A38 VanDerWaalsContact O-CA 3.29Å; I7-A38 WeakPolarHBondContact O-CA 3.25Å; Y9-A38 HydrophobicContact CE1-CB 4.31Å; L22-A38 HydrophobicContact CD1-CB 3.99Å; L22-A38 HydrophobicContact CD2-CB 4.04Å
39Y98.8Very high98.2Very high56 Ų5656.5 Ų56.522%0.2230%0.303CS..EExtended strand (participates in β ladder)trans-129.8127.4172.8179.2-95.2000109.8I7 I8 Y9 T41 D46 E50I7-Y39 PolarHBondContact O-N 3.32Å; I8-Y39 HydrophobicContact CG2-CD1 4.27Å; Y9-Y39 WeakPolarHBondContact CD1-O 3.32Å; Y9-Y39 PolarHBondContact N-O 3.02Å; Y39-T41 HydrophobicContact CD1-CG2 4.45Å; Y39-T41 HydrophobicContact CE1-CG2 4.2Å; Y39-D46 HydrophobicContact CE1-CB 4.21Å; Y39-E50 WeakPolarHBondContact CB-OE1 3.43Å; Y39-E50 HydrophobicContact CD1-CB 3.64Å; Y39-E50 HydrophobicContact CD1-CG 3.56Å; Y39-E50 HydrophobicContact CD2-CG 4.28Å; Y39-E50 HydrophobicContact CE1-CB 3.7Å; Y39-E50 HydrophobicContact CE1-CG 4.15Å; Y39-E50 HydrophobicContact CG-CB 4.11Å; Y39-E50 HydrophobicContact CG-CG 3.62Å
40A98.7Very high98.2Very high35 Ų3556.6 Ų56.629%0.28930%0.303SS..EExtended strand (participates in β ladder)trans-95.9127175.500000109.2Y9Y9-A40 HydrophobicContact CD1-CB 4.43Å; Y9-A40 HydrophobicContact CE1-CB 3.66Å; Y9-A40 HydrophobicContact CE2-CB 4Å; Y9-A40 VanDerWaalsContact CZ-CB 3.41Å; Y9-A40 WeakPolarHBondContact O-CA 3.25Å; Y9-A40 WeakPolarHBondContact OH-CB 3.5Å
41T98.6Very high98.2Very high12 Ų1253.7 Ų53.77%0.07429%0.29CS..  trans-73.2149.9172660000111I8 Y9 N10 P11 Y39 D46 A47I8-T41 HydrophobicContact CG2-CG2 4.28Å; Y9-T41 PolarHBondContact O-N 3.05Å; N10-T41 WeakPolarHBondContact CA-OG1 3.46Å; P11-T41 VanDerWaalsContact CD-O 3.24Å; P11-T41 WeakPolarHBondContact CD-O 3.43Å; P11-T41 WeakPolarHBondContact CG-O 3.34Å; Y39-T41 HydrophobicContact CD1-CG2 4.45Å; Y39-T41 HydrophobicContact CE1-CG2 4.2Å; T41-D46 HydrophobicContact CG2-CB 4.01Å; T41-A47 HydrophobicContact CG2-CB 3.8Å
42E98.2Very high98.2Very high179 Ų17949 Ų4984%0.83627%0.271SS*.  trans-116.9-27.2177.8-59.5-175.5156.200112.1D46E42-D46 WeakPolarHBondContact CA-OD2 3.33Å; E42-D46 WeakPolarHBondContact CB-OD2 3.3Å; E42-D46 PolarHBondContact N-OD2 3.15Å
43K96.8Very high98.2Very high130 Ų13052.6 Ų52.657%0.56528%0.275SS*.SBendtrans-150.7170.1179.957.7175.7175.256.40112.1G45 D46K43-G45 PolarHBondContact O-N 2.67Å; K43-D46 VanDerWaalsContact CG-OD1 3.28Å; K43-D46 WeakPolarHBondContact CG-OD1 3.41Å; K43-D46 WeakPolarHBondContact CG-OD2 3.49Å; K43-D46 PolarHBondContact N-OD2 3.01Å; K43-D46 IonicContact NZ-OD1 2.74Å; K43-D46 PolarHBondContact NZ-OD1 3.39Å; K43-D46 WeakPolarHBondContact O-CB 3.44Å; K43-D46 PolarHBondContact O-N 3.25Å
44I94.4Very high98.3Very high133 Ų13351.4 Ų51.468%0.68226%0.263SS*.THydrogen-bonded Turntrans-54.9133.7172.9-61.3171.5000109.7
45G96.9Very high98.2Very high23 Ų2352.8 Ų52.824%0.23727%0.27CS..THydrogen-bonded Turntrans89.9-9.9-179.500000114.9K43 A47 T48 L49 E73K43-G45 PolarHBondContact O-N 2.67Å; G45-A47 VanDerWaalsContact C-N 3.34Å; G45-A47 PolarHBondContact O-N 3.44Å; G45-T48 PolarHBondContact O-N 3.15Å; G45-L49 WeakPolarHBondContact O-CG 3.12Å; G45-L49 PolarHBondContact O-N 2.78Å; G45-E73 WeakPolarHBondContact CA-OE2 3.34Å; G45-E73 PolarHBondContact N-OE1 3.36Å; G45-E73 PolarHBondContact N-OE2 3.45Å; G45-E73 VanDerWaalsContact N-OE2 3.08Å
46D98.6Very high98.2Very high7 Ų756.5 Ų56.54%0.03729%0.287CS..Hα-helixtrans-68.2-32.6-179.5-74.1-8.4000112.8Y39 T41 E42 K43 T48 E50 E73Y39-D46 HydrophobicContact CE1-CB 4.21Å; T41-D46 HydrophobicContact CG2-CB 4.01Å; E42-D46 WeakPolarHBondContact CA-OD2 3.33Å; E42-D46 WeakPolarHBondContact CB-OD2 3.3Å; E42-D46 PolarHBondContact N-OD2 3.15Å; K43-D46 VanDerWaalsContact CG-OD1 3.28Å; K43-D46 WeakPolarHBondContact CG-OD1 3.41Å; K43-D46 WeakPolarHBondContact CG-OD2 3.49Å; K43-D46 PolarHBondContact N-OD2 3.01Å; K43-D46 IonicContact NZ-OD1 2.74Å; K43-D46 PolarHBondContact NZ-OD1 3.39Å; K43-D46 WeakPolarHBondContact O-CB 3.44Å; K43-D46 PolarHBondContact O-N 3.25Å; D46-T48 VanDerWaalsContact C-N 3.33Å; D46-E50 VanDerWaalsContact O-CB 3.3Å; D46-E50 WeakPolarHBondContact O-CB 3.45Å; D46-E50 PolarHBondContact O-N 3.25Å; D46-E73 PolarHBondContact N-OE2 2.85Å
47A98.7Very high98.1Very high0 Ų058.8 Ų58.80%030%0.297CS..Hα-helixtrans-69.5-35.3176.200000110.8I8 T41 G45 A51 T70 E73 V74I8-A47 HydrophobicContact CG2-CB 3.75Å; T41-A47 HydrophobicContact CG2-CB 3.8Å; G45-A47 VanDerWaalsContact C-N 3.34Å; G45-A47 PolarHBondContact O-N 3.44Å; A47-A51 VanDerWaalsContact O-CB 3.26Å; A47-A51 WeakPolarHBondContact O-CB 3.48Å; A47-A51 PolarHBondContact O-N 2.93Å; A47-T70 HydrophobicContact CB-CG2 4.29Å; A47-E73 WeakPolarHBondContact CA-OE2 3.39Å; A47-E73 HydrophobicContact CB-CB 3.6Å; A47-E73 HydrophobicContact CB-CG 4.49Å; A47-E73 VanDerWaalsContact CB-OE2 3.31Å; A47-E73 WeakPolarHBondContact CB-OE2 3.48Å; A47-E73 PolarHBondContact N-OE2 3.04Å; A47-V74 HydrophobicContact CB-CG2 4.03Å
48T98.7Very high98Very high29 Ų2963.4 Ų63.418%0.17832%0.318CS..Hα-helixtrans-62.1-56.3171.6-61.50000110.6G45 D46 E50 A51 E52 E73 N76G45-T48 PolarHBondContact O-N 3.15Å; D46-T48 VanDerWaalsContact C-N 3.33Å; T48-E50 PolarHBondContact O-N 2.68Å; T48-A51 PolarHBondContact O-N 3.12Å; T48-A51 VanDerWaalsContact O-N 3.09Å; T48-E52 HydrophobicContact CG2-CG 4.36Å; T48-E52 VanDerWaalsContact O-CG 3.3Å; T48-E52 WeakPolarHBondContact O-CG 3.4Å; T48-E52 PolarHBondContact O-N 3.19Å; T48-E73 VanDerWaalsContact CA-O 3.23Å; T48-E73 WeakPolarHBondContact CA-O 3.49Å; T48-E73 WeakPolarHBondContact CB-O 3.43Å; T48-E73 PolarHBondContact N-OE2 3.25Å; T48-E73 VanDerWaalsContact OG1-CA 3.23Å; T48-E73 WeakPolarHBondContact OG1-CA 3.43Å; T48-E73 WeakPolarHBondContact OG1-CB 3.43Å; T48-E73 PolarHBondContact OG1-O 3.2Å; T48-N76 HydrophobicContact CG2-CB 4.26Å
49L98.7Very high98Very high94 Ų9462.5 Ų62.549%0.49231%0.307SS..Hα-helixtrans-57-37.9-178.7-67.5173.3000112.1G45 R53G45-L49 WeakPolarHBondContact O-CG 3.12Å; G45-L49 PolarHBondContact O-N 2.78Å; L49-R53 PolarHBondContact O-N 3.04Å
50E98.8Very high98Very high2 Ų263.2 Ų63.21%0.00932%0.315CS..Hα-helixtrans-69.7-44.3176.6172.66116400113R6 I8 Y39 D46 T48 E52 R53 A54R6-E50 IonicContact CZ-OE1 3.49Å; R6-E50 IonicContact NE-OE1 3.44Å; R6-E50 PolarHBondContact NE-OE1 3.02Å; R6-E50 IonicContact NH2-OE1 3.17Å; R6-E50 PolarHBondContact NH2-OE1 3.36Å; I8-E50 HydrophobicContact CD1-CB 4.18Å; I8-E50 HydrophobicContact CD1-CG 3.58Å; I8-E50 HydrophobicContact CG1-CG 3.65Å; I8-E50 HydrophobicContact CG2-CB 4.46Å; I8-E50 HydrophobicContact CG2-CG 4.27Å; Y39-E50 WeakPolarHBondContact CB-OE1 3.43Å; Y39-E50 HydrophobicContact CD1-CB 3.64Å; Y39-E50 HydrophobicContact CD1-CG 3.56Å; Y39-E50 HydrophobicContact CD2-CG 4.28Å; Y39-E50 HydrophobicContact CE1-CB 3.7Å; Y39-E50 HydrophobicContact CE1-CG 4.15Å; Y39-E50 HydrophobicContact CG-CB 4.11Å; Y39-E50 HydrophobicContact CG-CG 3.62Å; D46-E50 VanDerWaalsContact O-CB 3.3Å; D46-E50 WeakPolarHBondContact O-CB 3.45Å; D46-E50 PolarHBondContact O-N 3.25Å; T48-E50 PolarHBondContact O-N 2.68Å; E50-E52 VanDerWaalsContact C-N 3.26Å; E50-E52 PolarHBondContact O-N 3.15Å; E50-R53 VanDerWaalsContact CD-NH2 3.34Å; E50-R53 PolarHBondContact O-N 3.18Å; E50-R53 IonicContact OE1-NH2 2.77Å; E50-R53 PolarHBondContact OE1-NH2 2.84Å; E50-R53 IonicContact OE2-CZ 2.7Å; E50-R53 IonicContact OE2-NE 2.71Å; E50-R53 PolarHBondContact OE2-NE 3.17Å; E50-R53 IonicContact OE2-NH2 3.11Å; E50-R53 PolarHBondContact OE2-NH2 3.43Å; E50-A54 WeakPolarHBondContact O-CB 3.34Å; E50-A54 PolarHBondContact O-N 2.95Å
51A98.8Very high98Very high0 Ų061.7 Ų61.70%030%0.302CS..Hα-helixtrans-60.8-38.2175.200000111.2I8 A47 T48 A54 M55 V74 I78I8-A51 HydrophobicContact CD1-CB 3.97Å; A47-A51 VanDerWaalsContact O-CB 3.26Å; A47-A51 WeakPolarHBondContact O-CB 3.48Å; A47-A51 PolarHBondContact O-N 2.93Å; T48-A51 PolarHBondContact O-N 3.12Å; T48-A51 VanDerWaalsContact O-N 3.09Å; A51-A54 PolarHBondContact O-N 3.31Å; A51-M55 WeakPolarHBondContact O-CG 3.49Å; A51-M55 PolarHBondContact O-N 2.94Å; A51-V74 HydrophobicContact CB-CB 4.43Å; A51-V74 HydrophobicContact CB-CG1 4.18Å; A51-V74 WeakPolarHBondContact CB-O 3.42Å; A51-I78 HydrophobicContact CB-CG2 4.05Å
52E98.6Very high98Very high79 Ų7961.1 Ų61.137%0.36930%0.299SS..Hα-helixtrans-62.1-43.6173.1-64.1-174.1142.500112.5T48 E50 M55 H56T48-E52 HydrophobicContact CG2-CG 4.36Å; T48-E52 VanDerWaalsContact O-CG 3.3Å; T48-E52 WeakPolarHBondContact O-CG 3.4Å; T48-E52 PolarHBondContact O-N 3.19Å; E50-E52 VanDerWaalsContact C-N 3.26Å; E50-E52 PolarHBondContact O-N 3.15Å; E52-M55 WeakPolarHBondContact O-CB 3.18Å; E52-M55 PolarHBondContact O-N 3.25Å; E52-H56 PolarHBondContact O-CD2 2.89Å
53R98.5Very high98.1Very high117 Ų11752.7 Ų52.744%0.44226%0.259SS..Hα-helixtrans-64.2-43.5176.4-175.3173.359.9167.9-3.4111.4L49 E50 M55 H56L49-R53 PolarHBondContact O-N 3.04Å; E50-R53 VanDerWaalsContact CD-NH2 3.34Å; E50-R53 PolarHBondContact O-N 3.18Å; E50-R53 IonicContact OE1-NH2 2.77Å; E50-R53 PolarHBondContact OE1-NH2 2.84Å; E50-R53 IonicContact OE2-CZ 2.7Å; E50-R53 IonicContact OE2-NE 2.71Å; E50-R53 PolarHBondContact OE2-NE 3.17Å; E50-R53 IonicContact OE2-NH2 3.11Å; E50-R53 PolarHBondContact OE2-NH2 3.43Å; R53-M55 PolarHBondContact O-N 2.88Å; R53-H56 PolarHBondContact O-N 2.78Å
54A98.4Very high98.2Very high0 Ų046.6 Ų46.60%023%0.233CC..Hα-helixtrans-61.1-26.4-179.600000113.6E50 A51 H56 E57 Y59 L62E50-A54 WeakPolarHBondContact O-CB 3.34Å; E50-A54 PolarHBondContact O-N 2.95Å; A51-A54 PolarHBondContact O-N 3.31Å; A54-H56 PolarHBondContact O-N 3.03Å; A54-H56 VanDerWaalsContact O-N 3.14Å; A54-E57 PolarHBondContact O-N 2.83Å; A54-Y59 HydrophobicContact CB-CD2 3.82Å; A54-Y59 HydrophobicContact CB-CE2 3.96Å; A54-L62 HydrophobicContact CB-CD1 4.34Å; A54-L62 HydrophobicContact CB-CD2 3.6Å; A54-L62 HydrophobicContact CB-CG 4.48Å
55M98.3Very high98.4Very high35 Ų3540.3 Ų40.317%0.17220%0.201CC..THydrogen-bonded Turntrans-60.4-20.6173.3-69.6-63.8-50.800113.5A51 E52 R53 I78 K81 P82 R84 P85A51-M55 WeakPolarHBondContact O-CG 3.49Å; A51-M55 PolarHBondContact O-N 2.94Å; E52-M55 WeakPolarHBondContact O-CB 3.18Å; E52-M55 PolarHBondContact O-N 3.25Å; R53-M55 PolarHBondContact O-N 2.88Å; M55-I78 HydrophobicContact CG-CG2 4.12Å; M55-I78 HydrophobicContact SD-CB 3.89Å; M55-I78 HydrophobicContact SD-CG2 3.67Å; M55-K81 HydrophobicContact CB-CD 4.39Å; M55-K81 HydrophobicContact CE-CB 3.67Å; M55-K81 HydrophobicContact CE-CD 4.34Å; M55-K81 HydrophobicContact CG-CD 3.75Å; M55-K81 HydrophobicContact SD-CD 4.46Å; M55-P82 WeakPolarHBondContact CE-O 3.48Å; M55-R84 HydrophobicContact CE-CG 4.36Å; M55-P85 VanDerWaalsContact SD-CD 3.58Å
56H97.9Very high98.4Very high166 Ų16639.5 Ų39.577%0.76919%0.193SC*.THydrogen-bonded Turntrans-97.40.9177.6-60-73000113.5E52 R53 A54E52-H56 PolarHBondContact O-CD2 2.89Å; R53-H56 PolarHBondContact O-N 2.78Å; A54-H56 PolarHBondContact O-N 3.03Å; A54-H56 VanDerWaalsContact O-N 3.14Å
57E97.5Very high98.1Very high65 Ų6539.8 Ų39.830%0.30420%0.198SC..THydrogen-bonded Turntrans-111.77.5-172.6-65.2-175.6-173.600113.8R4 A54 Y59R4-E57 PolarHBondContact NE-O 3.39Å; A54-E57 PolarHBondContact O-N 2.83Å; E57-Y59 HydrophobicContact CB-CD2 3.84Å; E57-Y59 HydrophobicContact CB-CE2 3.39Å; E57-Y59 HydrophobicContact CG-CE2 4.25Å; E57-Y59 PolarHBondContact O-N 2.92Å; E57-Y59 WeakPolarHBondContact OE2-CE2 3.29Å; E57-Y59 VanDerWaalsContact OE2-CZ 3.27Å; E57-Y59 PolarHBondContact OE2-OH 2.89Å
58N96.4Very high97.8Very high133 Ų13341 Ų4171%0.71120%0.204SC*.THydrogen-bonded Turntrans51.749.6174.9-166.765.5000113.3
59Y98.6Very high97.5Very high18 Ų1840.8 Ų40.87%0.07121%0.208CC..  trans-75.3140.2170.3-68.4-73.6000110.8R4 R6 S37 A54 E57 V61 P85R4-Y59 HydrophobicContact CB-CD1 3.82Å; R4-Y59 HydrophobicContact CB-CE1 4.42Å; R6-Y59 HydrophobicContact CB-CD1 3.73Å; R6-Y59 HydrophobicContact CB-CD2 3.88Å; R6-Y59 HydrophobicContact CB-CE1 3.67Å; R6-Y59 HydrophobicContact CB-CE2 3.77Å; R6-Y59 HydrophobicContact CB-CG 3.85Å; R6-Y59 HydrophobicContact CG-CD2 4.49Å; R6-Y59 HydrophobicContact CG-CE1 4.44Å; R6-Y59 HydrophobicContact CG-CE2 4.01Å; S37-Y59 PolarHBondContact OG-OH 2.87Å; A54-Y59 HydrophobicContact CB-CD2 3.82Å; A54-Y59 HydrophobicContact CB-CE2 3.96Å; E57-Y59 HydrophobicContact CB-CD2 3.84Å; E57-Y59 HydrophobicContact CB-CE2 3.39Å; E57-Y59 HydrophobicContact CG-CE2 4.25Å; E57-Y59 PolarHBondContact O-N 2.92Å; E57-Y59 WeakPolarHBondContact OE2-CE2 3.29Å; E57-Y59 VanDerWaalsContact OE2-CZ 3.27Å; E57-Y59 PolarHBondContact OE2-OH 2.89Å; Y59-V61 VanDerWaalsContact C-N 3.32Å; Y59-P85 WeakPolarHBondContact O-CB 3.5Å; Y59-P85 WeakPolarHBondContact O-CG 3.37Å
60D98.5Very high97.4Very high71 Ų7136.9 Ų36.938%0.3819%0.188SC..SBendtrans-74.9-31.4169.3-61.2-83.1000110.7K3 R4 K86K3-D60 WeakPolarHBondContact CA-OD2 3.37Å; K3-D60 HydrophobicContact CB-CB 4.23Å; K3-D60 WeakPolarHBondContact CB-OD2 3.24Å; R4-D60 PolarHBondContact N-OD2 3.22Å; R4-D60 PolarHBondContact O-N 3.01Å; D60-K86 PolarHBondContact O-N 3.4Å
61V98.7Very high97.4Very high2 Ų237.1 Ų37.11%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-140.2132.3-172.6160.40000111.7R4 A5 R6 Y34 Y59 I63 K86 I115 F292R4-V61 PolarHBondContact O-N 2.79Å; A5-V61 WeakPolarHBondContact CA-O 3.47Å; A5-V61 HydrophobicContact CB-CB 4.36Å; A5-V61 HydrophobicContact CB-CG1 4.28Å; R6-V61 PolarHBondContact N-O 2.96Å; Y34-V61 HydrophobicContact CE1-CB 4.24Å; Y34-V61 HydrophobicContact CE1-CG2 3.9Å; Y59-V61 VanDerWaalsContact C-N 3.32Å; V61-I63 HydrophobicContact CG1-CD1 4.01Å; V61-I63 HydrophobicContact CG1-CG1 3.42Å; V61-I63 VanDerWaalsContact CG1-CG1 3.42Å; V61-K86 WeakPolarHBondContact CA-O 3.44Å; V61-K86 HydrophobicContact CG2-CB 4.27Å; V61-I115 HydrophobicContact CG1-CG2 4.45Å; V61-F292 HydrophobicContact CB-CE2 4.35Å; V61-F292 HydrophobicContact CG1-CE2 4.1Å; V61-F292 HydrophobicContact CG2-CE2 3.36Å; V61-F292 HydrophobicContact CG2-CZ 3.42Å; V61-F292 VanDerWaalsContact CG2-CZ 3.42Å
62L98.8Very high97.3Very high1 Ų138.5 Ų38.51%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-106123.3162.6-77.9167.3000108.9R6 I8 A54 I78 P85 K86 L87 G88R6-L62 HydrophobicContact CB-CD2 3.68Å; R6-L62 HydrophobicContact CG-CD2 4.02Å; R6-L62 WeakPolarHBondContact O-CA 3.3Å; I8-L62 HydrophobicContact CD1-CD2 3.9Å; I8-L62 HydrophobicContact CG1-CD2 4.39Å; A54-L62 HydrophobicContact CB-CD1 4.34Å; A54-L62 HydrophobicContact CB-CD2 3.6Å; A54-L62 HydrophobicContact CB-CG 4.48Å; L62-I78 HydrophobicContact CD1-CG2 3.59Å; L62-P85 HydrophobicContact CB-CB 4.42Å; L62-P85 HydrophobicContact CD1-CB 4.19Å; L62-P85 HydrophobicContact CD1-CG 3.81Å; L62-P85 HydrophobicContact CG-CB 4.03Å; L62-P85 HydrophobicContact CG-CG 4Å; L62-K86 PolarHBondContact N-O 3.26Å; L62-L87 CarbonylContact O-C 3.43Å; L62-L87 WeakPolarHBondContact O-CA 3.41Å; L62-G88 PolarHBondContact O-N 3.43Å
63I98.9Very high97.3Very high1 Ų135.9 Ų35.91%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-106.3112.1179.2-55.5175.1000108.1A5 R6 I7 I8 L29 V61 G88 I90 I115A5-I63 HydrophobicContact CB-CD1 4.36Å; R6-I63 PolarHBondContact O-N 2.97Å; I7-I63 CarbonylContact C-O 3.58Å; I7-I63 WeakPolarHBondContact CA-O 3.4Å; I7-I63 HydrophobicContact CG1-CB 4.14Å; I7-I63 HydrophobicContact CG1-CD1 4.14Å; I8-I63 PolarHBondContact N-O 3.12Å; L29-I63 HydrophobicContact CD1-CD1 3.67Å; L29-I63 HydrophobicContact CD2-CD1 4.12Å; V61-I63 HydrophobicContact CG1-CD1 4.01Å; V61-I63 HydrophobicContact CG1-CG1 3.42Å; V61-I63 VanDerWaalsContact CG1-CG1 3.42Å; I63-G88 CarbonylContact C-O 3.58Å; I63-G88 WeakPolarHBondContact CA-O 3.18Å; I63-I90 HydrophobicContact CG2-CD1 3.59Å; I63-I90 HydrophobicContact CG2-CG1 3.73Å; I63-I115 HydrophobicContact CD1-CD1 4.22Å; I63-I115 HydrophobicContact CD1-CG2 4.28Å; I63-I115 HydrophobicContact CG1-CD1 4.21Å; I63-I115 HydrophobicContact CG2-CD1 3.94Å
64A98.8Very high97.3Very high3 Ų330.3 Ų30.33%0.02516%0.163CC..EExtended strand (participates in β ladder)trans-87.5113.8172.800000109.5I8 L71 V74 L87 G88 I90I8-A64 WeakPolarHBondContact O-CA 3.46Å; A64-L71 HydrophobicContact CB-CD1 3.7Å; A64-V74 HydrophobicContact CB-CB 4.33Å; A64-V74 HydrophobicContact CB-CG1 4.48Å; A64-V74 HydrophobicContact CB-CG2 4.01Å; A64-L87 HydrophobicContact CB-CD1 4.31Å; A64-G88 PolarHBondContact N-O 2.88Å; A64-I90 PolarHBondContact O-N 3.33Å
65A98.7Very high97.3Very high0 Ų030.3 Ų30.30%016%0.163CC..EExtended strand (participates in β ladder)trans-111.294.2177.300000110.8I7 I8 Y9 N10 F18 I90I7-A65 HydrophobicContact CG2-CB 4.32Å; I8-A65 PolarHBondContact O-N 2.87Å; Y9-A65 WeakPolarHBondContact CA-O 3.37Å; Y9-A65 WeakPolarHBondContact CB-O 3.14Å; N10-A65 PolarHBondContact N-O 3.22Å; F18-A65 HydrophobicContact CD1-CB 3.77Å; F18-A65 HydrophobicContact CD2-CB 3.94Å; F18-A65 HydrophobicContact CE1-CB 3.53Å; F18-A65 HydrophobicContact CE2-CB 3.73Å; F18-A65 HydrophobicContact CG-CB 3.97Å; F18-A65 HydrophobicContact CZ-CB 3.51Å; A65-I90 WeakPolarHBondContact CA-O 3.48Å; A65-I90 HydrophobicContact CB-CB 3.93Å; A65-I90 HydrophobicContact CB-CD1 4.38Å; A65-I90 HydrophobicContact CB-CG2 4.48Å
66G97.1Very high97.3Very high6 Ų630.1 Ų30.16%0.06216%0.163CC..EExtended strand (participates in β ladder)trans-179.9-166.9-17100000111.7S13 I90 M92 G93S13-G66 WeakPolarHBondContact OG-CA 3.43Å; G66-I90 PolarHBondContact N-O 2.88Å; G66-M92 PolarHBondContact O-N 2.88Å; G66-G93 PolarHBondContact O-N 3.28Å
67G93.2Very high97.4Very high14 Ų1422.2 Ų22.214%0.14413%0.126CC..SBendtrans-88-171.8168.600000112.8S13 G69 T70 L71S13-G67 PolarHBondContact OG-N 2.89Å; S13-G67 VanDerWaalsContact OG-N 3.1Å; G67-G69 VanDerWaalsContact C-N 3.26Å; G67-G69 PolarHBondContact O-N 2.93Å; G67-T70 PolarHBondContact O-N 3.47Å; G67-L71 PolarHBondContact O-N 2.9Å; G67-L71 VanDerWaalsContact O-N 3.12Å
68D91.5Very high97.4Very high24 Ų2419.2 Ų19.213%0.12811%0.112CC..Hα-helixtrans-54.8-37.4-179.7-61.2-72.8000113.2L71 N72 N96 D97 F98 N135D68-L71 PolarHBondContact O-N 3.09Å; D68-N72 WeakPolarHBondContact O-CB 3.46Å; D68-N72 PolarHBondContact O-N 2.94Å; D68-N96 WeakPolarHBondContact OD2-CA 3.33Å; D68-N96 PolarHBondContact OD2-N 2.85Å; D68-D97 PolarHBondContact OD1-N 2.78Å; D68-D97 PolarHBondContact OD2-N 2.62Å; D68-F98 PolarHBondContact OD1-N 2.86Å; D68-N135 PolarHBondContact OD1-ND2 2.94Å
69G92.7Very high97.5Very high26 Ų2613 Ų1327%0.2688%0.08SC..Hα-helixtrans-64.3-40.8176.500000113.6G67 L71 N72 E73G67-G69 VanDerWaalsContact C-N 3.26Å; G67-G69 PolarHBondContact O-N 2.93Å; G69-L71 VanDerWaalsContact C-N 3.32Å; G69-L71 PolarHBondContact O-N 3.47Å; G69-N72 PolarHBondContact O-N 2.85Å; G69-E73 PolarHBondContact O-N 3.42Å
70T97.7Very high97.5Very high11 Ų1116.2 Ų16.27%0.06710%0.096CC..Hα-helixtrans-65.3-40.1174.8-57.10000110.9N10 A47 G67 E73 V74N10-T70 HydrophobicContact CB-CG2 4.31Å; N10-T70 WeakPolarHBondContact CB-OG1 3.48Å; A47-T70 HydrophobicContact CB-CG2 4.29Å; G67-T70 PolarHBondContact O-N 3.47Å; T70-E73 PolarHBondContact O-N 2.91Å; T70-V74 WeakPolarHBondContact O-CG2 3.39Å; T70-V74 PolarHBondContact O-N 2.91Å; T70-V74 VanDerWaalsContact O-N 3.07Å
71L97.8Very high97.5Very high7 Ų715.5 Ų15.54%0.0379%0.089CC..Hα-helixtrans-65.8-44.4176.9-172.662.4000111.9A64 G67 D68 G69 E73 V74 V75 L87 V89 F98 I134A64-L71 HydrophobicContact CB-CD1 3.7Å; G67-L71 PolarHBondContact O-N 2.9Å; G67-L71 VanDerWaalsContact O-N 3.12Å; D68-L71 PolarHBondContact O-N 3.09Å; G69-L71 VanDerWaalsContact C-N 3.32Å; G69-L71 PolarHBondContact O-N 3.47Å; L71-E73 VanDerWaalsContact C-N 3.32Å; L71-E73 PolarHBondContact O-N 2.86Å; L71-V74 PolarHBondContact O-N 3.03Å; L71-V75 WeakPolarHBondContact O-CG2 3.13Å; L71-V75 PolarHBondContact O-N 3.31Å; L71-L87 HydrophobicContact CD1-CD1 4.11Å; L71-L87 HydrophobicContact CD1-CD2 3.72Å; L71-L87 HydrophobicContact CD1-CG 4.17Å; L71-V89 HydrophobicContact CD1-CG2 3.97Å; L71-V89 HydrophobicContact CD2-CG1 4.41Å; L71-V89 HydrophobicContact CD2-CG2 4.23Å; L71-F98 HydrophobicContact CD2-CB 3.78Å; L71-F98 HydrophobicContact CD2-CD1 3.23Å; L71-F98 HydrophobicContact CD2-CD2 4.4Å; L71-F98 HydrophobicContact CD2-CE1 3.76Å; L71-F98 HydrophobicContact CD2-CG 3.56Å; L71-I134 HydrophobicContact CB-CD1 3.87Å; L71-I134 HydrophobicContact CD2-CD1 3.54Å; L71-I134 HydrophobicContact CG-CD1 3.56Å
72N97Very high97.5Very high29 Ų2920.1 Ų20.116%0.15512%0.119CC..Hα-helixtrans-56.5-46.1174.1175.6-79.7000111.2D68 G69 V74 V75 N76 Y132 F133 I134 D271D68-N72 WeakPolarHBondContact O-CB 3.46Å; D68-N72 PolarHBondContact O-N 2.94Å; G69-N72 PolarHBondContact O-N 2.85Å; N72-V74 PolarHBondContact O-N 2.72Å; N72-V75 PolarHBondContact O-N 3.29Å; N72-N76 PolarHBondContact O-N 3.25Å; N72-N76 PolarHBondContact O-ND2 3.07Å; N72-N76 PolarHBondContact OD1-ND2 2.81Å; N72-Y132 PolarHBondContact ND2-O 2.88Å; N72-F133 WeakPolarHBondContact ND2-CA 3.44Å; N72-I134 HydrophobicContact CB-CD1 4.48Å; N72-D271 PolarHBondContact ND2-OD2 3.25Å
73E98.4Very high97.4Very high25 Ų2527.5 Ų27.512%0.11716%0.159CC..Hα-helixtrans-60.6-46.1177.9-82.6-165.1-153.700112G45 D46 A47 T48 G69 T70 L71 N76 G77G45-E73 WeakPolarHBondContact CA-OE2 3.34Å; G45-E73 PolarHBondContact N-OE1 3.36Å; G45-E73 PolarHBondContact N-OE2 3.45Å; G45-E73 VanDerWaalsContact N-OE2 3.08Å; D46-E73 PolarHBondContact N-OE2 2.85Å; A47-E73 WeakPolarHBondContact CA-OE2 3.39Å; A47-E73 HydrophobicContact CB-CB 3.6Å; A47-E73 HydrophobicContact CB-CG 4.49Å; A47-E73 VanDerWaalsContact CB-OE2 3.31Å; A47-E73 WeakPolarHBondContact CB-OE2 3.48Å; A47-E73 PolarHBondContact N-OE2 3.04Å; T48-E73 VanDerWaalsContact CA-O 3.23Å; T48-E73 WeakPolarHBondContact CA-O 3.49Å; T48-E73 WeakPolarHBondContact CB-O 3.43Å; T48-E73 PolarHBondContact N-OE2 3.25Å; T48-E73 VanDerWaalsContact OG1-CA 3.23Å; T48-E73 WeakPolarHBondContact OG1-CA 3.43Å; T48-E73 WeakPolarHBondContact OG1-CB 3.43Å; T48-E73 PolarHBondContact OG1-O 3.2Å; G69-E73 PolarHBondContact O-N 3.42Å; T70-E73 PolarHBondContact O-N 2.91Å; L71-E73 VanDerWaalsContact C-N 3.32Å; L71-E73 PolarHBondContact O-N 2.86Å; E73-N76 PolarHBondContact O-N 3.48Å; E73-G77 PolarHBondContact O-N 3.01Å; E73-G77 VanDerWaalsContact O-N 3.11Å
74V98.8Very high97.3Very high0 Ų031.7 Ų31.70%017%0.174CC..Hα-helixtrans-61.2-44.8176.9170.80000110.9I8 A47 A51 A64 T70 L71 N72 N76 G77 I78 L87I8-V74 HydrophobicContact CB-CG2 4.15Å; I8-V74 HydrophobicContact CD1-CG2 3.94Å; I8-V74 HydrophobicContact CG2-CG2 4.08Å; A47-V74 HydrophobicContact CB-CG2 4.03Å; A51-V74 HydrophobicContact CB-CB 4.43Å; A51-V74 HydrophobicContact CB-CG1 4.18Å; A51-V74 WeakPolarHBondContact CB-O 3.42Å; A64-V74 HydrophobicContact CB-CB 4.33Å; A64-V74 HydrophobicContact CB-CG1 4.48Å; A64-V74 HydrophobicContact CB-CG2 4.01Å; T70-V74 WeakPolarHBondContact O-CG2 3.39Å; T70-V74 PolarHBondContact O-N 2.91Å; T70-V74 VanDerWaalsContact O-N 3.07Å; L71-V74 PolarHBondContact O-N 3.03Å; N72-V74 PolarHBondContact O-N 2.72Å; V74-N76 PolarHBondContact O-N 2.94Å; V74-G77 PolarHBondContact O-N 2.62Å; V74-G77 VanDerWaalsContact O-N 3.11Å; V74-I78 PolarHBondContact O-N 3.4Å; V74-L87 HydrophobicContact CG1-CD1 3.9Å
75V98.7Very high97.3Very high0 Ų032 Ų320%018%0.176CC..Hα-helixtrans-61.7-43177.1168.50000111.3L71 N72 G77 I78 A79 L87 I125 I134 I289L71-V75 WeakPolarHBondContact O-CG2 3.13Å; L71-V75 PolarHBondContact O-N 3.31Å; N72-V75 PolarHBondContact O-N 3.29Å; V75-G77 PolarHBondContact O-N 3.05Å; V75-I78 PolarHBondContact O-N 2.67Å; V75-I78 VanDerWaalsContact O-N 3.13Å; V75-A79 VanDerWaalsContact O-CB 3.24Å; V75-A79 WeakPolarHBondContact O-CB 3.47Å; V75-A79 PolarHBondContact O-N 3.38Å; V75-L87 HydrophobicContact CG2-CD2 3.9Å; V75-I125 HydrophobicContact CG1-CD1 3.77Å; V75-I125 HydrophobicContact CG1-CG2 4.13Å; V75-I134 HydrophobicContact CB-CG2 3.97Å; V75-I134 HydrophobicContact CG1-CG2 3.79Å; V75-I134 HydrophobicContact CG2-CG2 3.91Å; V75-I289 HydrophobicContact CG1-CD1 4.33Å; V75-I289 HydrophobicContact CG1-CG1 4.28Å
76N98.7Very high97.3Very high30 Ų3035.2 Ų35.216%0.1619%0.19CC..Hα-helixtrans-58.8-34175.1-87.9-95.1000112.3T48 N72 E73 V74 Y132T48-N76 HydrophobicContact CG2-CB 4.26Å; N72-N76 PolarHBondContact O-N 3.25Å; N72-N76 PolarHBondContact O-ND2 3.07Å; N72-N76 PolarHBondContact OD1-ND2 2.81Å; E73-N76 PolarHBondContact O-N 3.48Å; V74-N76 PolarHBondContact O-N 2.94Å; N76-Y132 HydrophobicContact CB-CD2 4.32Å; N76-Y132 PolarHBondContact ND2-O 3.39Å; N76-Y132 WeakPolarHBondContact OD1-CD2 3.24Å; N76-Y132 PolarHBondContact OD1-N 2.77Å
77G98.6Very high97.4Very high0 Ų035 Ų350%019%0.187CC..Hα-helixtrans-74.8-19178.900000114.9E73 V74 V75 K81E73-G77 PolarHBondContact O-N 3.01Å; E73-G77 VanDerWaalsContact O-N 3.11Å; V74-G77 PolarHBondContact O-N 2.62Å; V74-G77 VanDerWaalsContact O-N 3.11Å; V75-G77 PolarHBondContact O-N 3.05Å; G77-K81 VanDerWaalsContact O-CE 3.31Å; G77-K81 WeakPolarHBondContact O-CE 3.4Å; G77-K81 PolarHBondContact O-NZ 3Å
78I98.7Very high97.7Very high2 Ų234.3 Ų34.31%0.0118%0.18CC..Hα-helixtrans-114.8-19.8-17868.8176000114.5A51 M55 L62 V74 V75 K81 R84 I289A51-I78 HydrophobicContact CB-CG2 4.05Å; M55-I78 HydrophobicContact CG-CG2 4.12Å; M55-I78 HydrophobicContact SD-CB 3.89Å; M55-I78 HydrophobicContact SD-CG2 3.67Å; L62-I78 HydrophobicContact CD1-CG2 3.59Å; V74-I78 PolarHBondContact O-N 3.4Å; V75-I78 PolarHBondContact O-N 2.67Å; V75-I78 VanDerWaalsContact O-N 3.13Å; I78-K81 WeakPolarHBondContact O-CB 3.49Å; I78-K81 PolarHBondContact O-N 2.7Å; I78-R84 HydrophobicContact CB-CG 4.48Å; I78-R84 WeakPolarHBondContact O-CD 3.41Å; I78-R84 WeakPolarHBondContact O-CG 3.34Å; I78-I289 HydrophobicContact CD1-CD1 4.07Å; I78-I289 HydrophobicContact CG1-CD1 4.19Å
79A98.6Very high98Very high4 Ų433.6 Ų33.63%0.03318%0.177CC..THydrogen-bonded Turntrans-58.3139.3-173.900000112.8V75 K81 I125 Y132V75-A79 VanDerWaalsContact O-CB 3.24Å; V75-A79 WeakPolarHBondContact O-CB 3.47Å; V75-A79 PolarHBondContact O-N 3.38Å; A79-K81 PolarHBondContact O-N 2.72Å; A79-I125 HydrophobicContact CB-CD1 3.67Å; A79-Y132 HydrophobicContact CB-CD1 3.63Å; A79-Y132 HydrophobicContact CB-CD2 3.62Å; A79-Y132 HydrophobicContact CB-CE1 3.62Å; A79-Y132 HydrophobicContact CB-CE2 3.59Å; A79-Y132 HydrophobicContact CB-CG 3.61Å; A79-Y132 PolarHBondContact O-OH 2.92Å
80E98.5Very high98.3Very high85 Ų8532.3 Ų32.340%0.39716%0.164SC..THydrogen-bonded Turntrans63.23.1-179.6-64.2-172111.900115.3K127 Y132 L285 H288E80-K127 IonicContact OE1-NZ 2.68Å; E80-K127 PolarHBondContact OE1-NZ 3.36Å; E80-K127 VanDerWaalsContact OE2-CE 3.27Å; E80-K127 WeakPolarHBondContact OE2-CE 3.49Å; E80-K127 IonicContact OE2-NZ 3.98Å; E80-K127 PolarHBondContact OE2-NZ 3.22Å; E80-Y132 HydrophobicContact CG-CE1 3.9Å; E80-Y132 WeakPolarHBondContact OE2-CE1 3.46Å; E80-Y132 PolarHBondContact OE2-OH 2.8Å; E80-L285 HydrophobicContact CG-CD1 3.69Å; E80-H288 PolarHBondContact N-NE2 2.94Å
81K98.2Very high98.2Very high56 Ų5632.1 Ų32.124%0.24316%0.163CC..  trans-81.8148.8172.8-61.5178.3179.4177.10111.2M55 G77 I78 A79 R84M55-K81 HydrophobicContact CB-CD 4.39Å; M55-K81 HydrophobicContact CE-CB 3.67Å; M55-K81 HydrophobicContact CE-CD 4.34Å; M55-K81 HydrophobicContact CG-CD 3.75Å; M55-K81 HydrophobicContact SD-CD 4.46Å; G77-K81 VanDerWaalsContact O-CE 3.31Å; G77-K81 WeakPolarHBondContact O-CE 3.4Å; G77-K81 PolarHBondContact O-NZ 3Å; I78-K81 WeakPolarHBondContact O-CB 3.49Å; I78-K81 PolarHBondContact O-N 2.7Å; A79-K81 PolarHBondContact O-N 2.72Å; K81-R84 VanDerWaalsContact O-CG 3.22Å; K81-R84 WeakPolarHBondContact O-CG 3.35Å; K81-R84 PolarHBondContact O-NH1 3.05Å
82P97.2Very high98.1Very high98 Ų9832.7 Ų32.764%0.63617%0.166SC*.SBendtrans-70.3159172.832.1-36.3000110.9M55 R84M55-P82 WeakPolarHBondContact CE-O 3.48Å; P82-R84 VanDerWaalsContact C-N 3.32Å; P82-R84 PolarHBondContact O-N 2.91Å
83N96.8Very high97.8Very high157 Ų15732.1 Ų32.184%0.8417%0.166SC*.SBendtrans53.941.7173-55.993.1000114.4
84R98.4Very high97.1Very high88 Ų8837.2 Ų37.233%0.33220%0.199SC..PPolyproline II helixtrans-60.1133.7177.5-62.1-179.1-66.1-83.29.9110.7M55 I78 K81 P82 H288M55-R84 HydrophobicContact CE-CG 4.36Å; I78-R84 HydrophobicContact CB-CG 4.48Å; I78-R84 WeakPolarHBondContact O-CD 3.41Å; I78-R84 WeakPolarHBondContact O-CG 3.34Å; K81-R84 VanDerWaalsContact O-CG 3.22Å; K81-R84 WeakPolarHBondContact O-CG 3.35Å; K81-R84 PolarHBondContact O-NH1 3.05Å; P82-R84 VanDerWaalsContact C-N 3.32Å; P82-R84 PolarHBondContact O-N 2.91Å; R84-H288 PolarHBondContact NE-O 2.74Å; R84-H288 PolarHBondContact NH2-ND1 3.04Å; R84-H288 PolarHBondContact NH2-O 2.92Å
85P98.5Very high96.3Very high11 Ų1140.7 Ų40.77%0.07122%0.22CC..PPolyproline II helixtrans-59.8153.2166.4-21.333.3000110.7M55 Y59 L62M55-P85 VanDerWaalsContact SD-CD 3.58Å; Y59-P85 WeakPolarHBondContact O-CB 3.5Å; Y59-P85 WeakPolarHBondContact O-CG 3.37Å; L62-P85 HydrophobicContact CB-CB 4.42Å; L62-P85 HydrophobicContact CD1-CB 4.19Å; L62-P85 HydrophobicContact CD1-CG 3.81Å; L62-P85 HydrophobicContact CG-CB 4.03Å; L62-P85 HydrophobicContact CG-CG 4Å
86K98.7Very high95.9Very high66 Ų6641.1 Ų41.129%0.28722%0.223SC..EExtended strand (participates in β ladder)trans-64.9146.8167.3-68.6-168.5178.7-163.90109.7D60 V61 L62 S120 D290 F292D60-K86 PolarHBondContact O-N 3.4Å; V61-K86 WeakPolarHBondContact CA-O 3.44Å; V61-K86 HydrophobicContact CG2-CB 4.27Å; L62-K86 PolarHBondContact N-O 3.26Å; K86-S120 WeakPolarHBondContact CE-OG 3.17Å; K86-S120 PolarHBondContact NZ-OG 2.72Å; K86-D290 CarbonylContact C-O 3.48Å; K86-D290 WeakPolarHBondContact CA-O 3.49Å; K86-D290 VanDerWaalsContact CE-OD2 3.3Å; K86-D290 WeakPolarHBondContact CE-OD2 3.39Å; K86-D290 HydrophobicContact CG-CB 4.37Å; K86-F292 HydrophobicContact CB-CE2 3.72Å; K86-F292 HydrophobicContact CB-CZ 3.73Å; K86-F292 HydrophobicContact CD-CE1 3.75Å; K86-F292 HydrophobicContact CD-CE2 4.42Å; K86-F292 HydrophobicContact CD-CZ 3.65Å; K86-F292 HydrophobicContact CG-CZ 4.34Å
87L98.9Very high95.4Very high1 Ų140.6 Ų40.61%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-94.9125.3-179.9-174.559.8000110.6L62 A64 L71 V74 V75 V89 I289 D290 V291 F292L62-L87 CarbonylContact O-C 3.43Å; L62-L87 WeakPolarHBondContact O-CA 3.41Å; A64-L87 HydrophobicContact CB-CD1 4.31Å; L71-L87 HydrophobicContact CD1-CD1 4.11Å; L71-L87 HydrophobicContact CD1-CD2 3.72Å; L71-L87 HydrophobicContact CD1-CG 4.17Å; V74-L87 HydrophobicContact CG1-CD1 3.9Å; V75-L87 HydrophobicContact CG2-CD2 3.9Å; L87-V89 HydrophobicContact CG-CG2 4.44Å; L87-I289 HydrophobicContact CB-CG2 4.07Å; L87-I289 HydrophobicContact CD2-CG2 3.68Å; L87-D290 PolarHBondContact N-O 2.75Å; L87-V291 HydrophobicContact CB-CB 4.2Å; L87-V291 HydrophobicContact CB-CG2 4.24Å; L87-V291 HydrophobicContact CD2-CG2 4.49Å; L87-V291 HydrophobicContact CG-CG2 4.36Å; L87-V291 CarbonylContact O-C 3.42Å; L87-V291 VanDerWaalsContact O-CA 3.3Å; L87-V291 WeakPolarHBondContact O-CA 3.31Å; L87-V291 WeakPolarHBondContact O-CG2 3.33Å; L87-F292 VanDerWaalsContact O-CD2 3.26Å; L87-F292 WeakPolarHBondContact O-CD2 3.19Å; L87-F292 PolarHBondContact O-N 3.04Å
88G98.8Very high95.1Very high0 Ų040.9 Ų40.90%022%0.221CC..EExtended strand (participates in β ladder)trans-101.6141.5164.900000110.3L62 I63 A64L62-G88 PolarHBondContact O-N 3.43Å; I63-G88 CarbonylContact C-O 3.58Å; I63-G88 WeakPolarHBondContact CA-O 3.18Å; A64-G88 PolarHBondContact N-O 2.88Å
89V98.7Very high94.9Very high9 Ų940.9 Ų40.96%0.05522%0.221CC..EExtended strand (participates in β ladder)trans-117.8125-179.8-177.60000108.8L71 L87 F98 I104 V291L71-V89 HydrophobicContact CD1-CG2 3.97Å; L71-V89 HydrophobicContact CD2-CG1 4.41Å; L71-V89 HydrophobicContact CD2-CG2 4.23Å; L87-V89 HydrophobicContact CG-CG2 4.44Å; V89-F98 HydrophobicContact CG2-CE1 4.34Å; V89-I104 HydrophobicContact CB-CG1 4.42Å; V89-V291 HydrophobicContact CG2-CG2 3.94Å
90I98.6Very high94.6Very high0 Ų045.9 Ų45.90%024%0.24CC..EExtended strand (participates in β ladder)trans-115.8100.5166.7-56179.5000106.7F18 I63 A64 A65 G66 M92 I108 A111 L112 I115F18-I90 HydrophobicContact CD2-CG2 4.09Å; F18-I90 HydrophobicContact CE2-CB 4.49Å; F18-I90 HydrophobicContact CE2-CD1 3.6Å; F18-I90 HydrophobicContact CE2-CG2 4.01Å; F18-I90 HydrophobicContact CZ-CD1 4.02Å; I63-I90 HydrophobicContact CG2-CD1 3.59Å; I63-I90 HydrophobicContact CG2-CG1 3.73Å; A64-I90 PolarHBondContact O-N 3.33Å; A65-I90 WeakPolarHBondContact CA-O 3.48Å; A65-I90 HydrophobicContact CB-CB 3.93Å; A65-I90 HydrophobicContact CB-CD1 4.38Å; A65-I90 HydrophobicContact CB-CG2 4.48Å; G66-I90 PolarHBondContact N-O 2.88Å; I90-M92 HydrophobicContact CG2-CG 3.94Å; I90-M92 HydrophobicContact CG2-SD 3.96Å; I90-M92 PolarHBondContact O-N 2.85Å; I90-I108 HydrophobicContact CG2-CB 4.4Å; I90-I108 HydrophobicContact CG2-CG1 4.05Å; I90-I108 HydrophobicContact CG2-CG2 4.35Å; I90-A111 HydrophobicContact CB-CB 4.42Å; I90-A111 HydrophobicContact CG1-CB 4.18Å; I90-A111 HydrophobicContact CG2-CB 4.29Å; I90-L112 HydrophobicContact CD1-CD2 3.74Å; I90-L112 HydrophobicContact CD1-CG 4.07Å; I90-I115 HydrophobicContact CG1-CD1 4.28Å
91P96.4Very high94.4Very high6 Ų642.1 Ų42.14%0.03922%0.223CC..EExtended strand (participates in β ladder)trans-74.390.8-170.529.9-35.4000111.4N96 I104 P105P91-N96 HydrophobicContact CB-CB 3.72Å; P91-I104 HydrophobicContact CG-CG2 4.15Å; P91-P105 WeakPolarHBondContact CG-O 3.48Å
92M95.6Very high94.3Very high20 Ų2039.6 Ų39.610%0.09921%0.212CC..  trans-102.23.9-177.8-63.6-56.5-46.800113.2S13 G14 L17 F18 G66 I90 I108S13-M92 CarbonylContact C-O 3.49Å; S13-M92 VanDerWaalsContact C-O 3.28Å; S13-M92 PolarHBondContact OG-O 2.86Å; G14-M92 VanDerWaalsContact CA-O 3.23Å; G14-M92 WeakPolarHBondContact CA-O 3.42Å; G14-M92 PolarHBondContact N-O 2.87Å; L17-M92 HydrophobicContact CB-CE 4.06Å; F18-M92 HydrophobicContact CB-CE 4.11Å; F18-M92 HydrophobicContact CB-CG 3.94Å; F18-M92 HydrophobicContact CB-SD 4.21Å; F18-M92 HydrophobicContact CD2-CG 4.14Å; F18-M92 HydrophobicContact CD2-SD 4.25Å; F18-M92 HydrophobicContact CG-CG 4.26Å; G66-M92 PolarHBondContact O-N 2.88Å; I90-M92 HydrophobicContact CG2-CG 3.94Å; I90-M92 HydrophobicContact CG2-SD 3.96Å; I90-M92 PolarHBondContact O-N 2.85Å; M92-I108 HydrophobicContact CE-CD1 3.97Å; M92-I108 HydrophobicContact CE-CG1 4.27Å; M92-I108 HydrophobicContact SD-CD1 3.7Å; M92-I108 HydrophobicContact SD-CG1 3.38Å; M92-I108 WeakPolarHBondContact SD-CG1 3.44Å
93G90.1Very high94.2Very high16 Ų1638.9 Ų38.917%0.16520%0.2CC..SBendtrans-81.7-178.3176.500000113S13 G66 N96S13-G93 WeakPolarHBondContact OG-CA 3.07Å; S13-G93 PolarHBondContact OG-N 2.94Å; G66-G93 PolarHBondContact O-N 3.28Å; G93-N96 WeakPolarHBondContact CA-OD1 3.23Å; G93-N96 PolarHBondContact N-OD1 2.92Å; G93-N96 PolarHBondContact O-ND2 2.89Å
94T84.2Confident94.3Very high132 Ų13231.8 Ų31.881%0.8116%0.162SC*.SBendtrans-83.2-30.4177.4-53.90000112.5
95V82.3Confident94.2Very high73 Ų7329.4 Ų29.444%0.44216%0.158SC..SBendtrans-108.7-62.2-173.5-176.20000110.1D97 R100V95-D97 HydrophobicContact CG1-CB 4.5Å; V95-D97 VanDerWaalsContact CG1-CG 3.41Å; V95-D97 WeakPolarHBondContact CG1-OD1 3.25Å; V95-D97 WeakPolarHBondContact CG1-OD2 3.24Å; V95-R100 PolarHBondContact O-NH2 2.95Å
96N89.3Confident94Very high10 Ų1034.6 Ų34.65%0.05319%0.185CC..  trans61.248.4177.7-45.6-51.8000112.3D68 P91 G93 F98 G99 R100D68-N96 WeakPolarHBondContact OD2-CA 3.33Å; D68-N96 PolarHBondContact OD2-N 2.85Å; P91-N96 HydrophobicContact CB-CB 3.72Å; G93-N96 WeakPolarHBondContact CA-OD1 3.23Å; G93-N96 PolarHBondContact N-OD1 2.92Å; G93-N96 PolarHBondContact O-ND2 2.89Å; N96-F98 VanDerWaalsContact C-N 3.31Å; N96-F98 PolarHBondContact O-N 3.2Å; N96-G99 PolarHBondContact O-N 3.44Å; N96-R100 WeakPolarHBondContact O-CB 3.31Å; N96-R100 PolarHBondContact O-N 2.92Å
97D88.8Confident93.9Very high18 Ų1835.7 Ų35.710%0.09619%0.194CC..Hα-helixtrans-58.9-42.4-177.7-74.8-30.5000111.5D68 V95 R100 A101D68-D97 PolarHBondContact OD1-N 2.78Å; D68-D97 PolarHBondContact OD2-N 2.62Å; V95-D97 HydrophobicContact CG1-CB 4.5Å; V95-D97 VanDerWaalsContact CG1-CG 3.41Å; V95-D97 WeakPolarHBondContact CG1-OD1 3.25Å; V95-D97 WeakPolarHBondContact CG1-OD2 3.24Å; D97-R100 PolarHBondContact O-N 3.3Å; D97-R100 IonicContact OD1-CZ 2.86Å; D97-R100 IonicContact OD1-NH1 2.99Å; D97-R100 PolarHBondContact OD1-NH1 2.68Å; D97-R100 IonicContact OD1-NH2 3.52Å; D97-R100 PolarHBondContact OD1-NH2 3.12Å; D97-A101 WeakPolarHBondContact O-CB 3.15Å; D97-A101 PolarHBondContact O-N 3.43Å
98F92.9Very high93.8Very high6 Ų636.5 Ų36.53%0.02620%0.198CC..Hα-helixtrans-67.4-42.3178.3-172.6-84.1000112.4D68 L71 V89 N96 R100 A101 L102 V123 I134 T199 V291D68-F98 PolarHBondContact OD1-N 2.86Å; L71-F98 HydrophobicContact CD2-CB 3.78Å; L71-F98 HydrophobicContact CD2-CD1 3.23Å; L71-F98 HydrophobicContact CD2-CD2 4.4Å; L71-F98 HydrophobicContact CD2-CE1 3.76Å; L71-F98 HydrophobicContact CD2-CG 3.56Å; V89-F98 HydrophobicContact CG2-CE1 4.34Å; N96-F98 VanDerWaalsContact C-N 3.31Å; N96-F98 PolarHBondContact O-N 3.2Å; F98-R100 VanDerWaalsContact C-N 3.3Å; F98-R100 PolarHBondContact O-N 3.18Å; F98-A101 PolarHBondContact O-N 3.13Å; F98-L102 HydrophobicContact CD1-CD1 3.89Å; F98-L102 HydrophobicContact CE1-CD1 3.3Å; F98-L102 HydrophobicContact CE1-CG 4.42Å; F98-L102 HydrophobicContact CZ-CD1 3.83Å; F98-L102 PolarHBondContact O-N 3.34Å; F98-V123 HydrophobicContact CE2-CG2 4.14Å; F98-V123 HydrophobicContact CZ-CG2 3.81Å; F98-I134 HydrophobicContact CB-CD1 4.11Å; F98-I134 HydrophobicContact CD2-CB 3.85Å; F98-I134 HydrophobicContact CD2-CD1 3.89Å; F98-I134 HydrophobicContact CD2-CG1 4.13Å; F98-I134 HydrophobicContact CE2-CB 3.98Å; F98-I134 HydrophobicContact CE2-CD1 4.47Å; F98-I134 HydrophobicContact CG-CD1 4.05Å; F98-T199 HydrophobicContact CD2-CG2 4.13Å; F98-V291 HydrophobicContact CE1-CG2 4.34Å
99G94.4Very high93.8Very high2 Ų239.2 Ų39.22%0.02121%0.212CC..Hα-helixtrans-61.3-40.4175.500000111.8N96 L102 H103 I104N96-G99 PolarHBondContact O-N 3.44Å; G99-L102 CarbonylContact O-C 3.58Å; G99-L102 PolarHBondContact O-N 2.84Å; G99-H103 PolarHBondContact O-N 2.81Å; G99-I104 PolarHBondContact O-N 3.06Å
100R92.4Very high93.8Very high110 Ų11039.5 Ų39.542%0.41522%0.217SC..Hα-helixtrans-64.6-43.3175.4-168.5-174.1-50.6124.213.6112.1V95 N96 D97 F98 L102 H103 S201V95-R100 PolarHBondContact O-NH2 2.95Å; N96-R100 WeakPolarHBondContact O-CB 3.31Å; N96-R100 PolarHBondContact O-N 2.92Å; D97-R100 PolarHBondContact O-N 3.3Å; D97-R100 IonicContact OD1-CZ 2.86Å; D97-R100 IonicContact OD1-NH1 2.99Å; D97-R100 PolarHBondContact OD1-NH1 2.68Å; D97-R100 IonicContact OD1-NH2 3.52Å; D97-R100 PolarHBondContact OD1-NH2 3.12Å; F98-R100 VanDerWaalsContact C-N 3.3Å; F98-R100 PolarHBondContact O-N 3.18Å; R100-L102 PolarHBondContact O-N 3.16Å; R100-H103 PolarHBondContact O-N 3.1Å; R100-S201 PolarHBondContact NH1-OG 2.92Å
101A93Very high93.8Very high5 Ų539.5 Ų39.54%0.04122%0.217CC..Hα-helixtrans-60.6-29.6178.700000112.5D97 F98 T199 L214 N299D97-A101 WeakPolarHBondContact O-CB 3.15Å; D97-A101 PolarHBondContact O-N 3.43Å; F98-A101 PolarHBondContact O-N 3.13Å; A101-T199 HydrophobicContact CB-CG2 3.85Å; A101-L214 HydrophobicContact CB-CD1 4.02Å; A101-L214 HydrophobicContact CB-CD2 4.18Å; A101-L214 WeakPolarHBondContact O-CD1 3.35Å; A101-N299 PolarHBondContact O-ND2 3.14Å
102L96.1Very high93.9Very high3 Ų339.2 Ų39.22%0.01622%0.215CC..THydrogen-bonded Turntrans-98.310.1176.5-71.7174.9000114.1F98 G99 R100 I104 T121 V123 L214 V291 P294F98-L102 HydrophobicContact CD1-CD1 3.89Å; F98-L102 HydrophobicContact CE1-CD1 3.3Å; F98-L102 HydrophobicContact CE1-CG 4.42Å; F98-L102 HydrophobicContact CZ-CD1 3.83Å; F98-L102 PolarHBondContact O-N 3.34Å; G99-L102 CarbonylContact O-C 3.58Å; G99-L102 PolarHBondContact O-N 2.84Å; R100-L102 PolarHBondContact O-N 3.16Å; L102-I104 HydrophobicContact CB-CD1 4.07Å; L102-I104 HydrophobicContact CB-CG1 3.9Å; L102-I104 PolarHBondContact O-N 3.05Å; L102-I104 VanDerWaalsContact O-N 3.14Å; L102-T121 HydrophobicContact CD2-CG2 3.8Å; L102-V123 HydrophobicContact CD1-CG1 4.46Å; L102-V123 HydrophobicContact CD2-CG1 3.91Å; L102-L214 HydrophobicContact CD2-CD1 3.98Å; L102-L214 HydrophobicContact CG-CD1 4.47Å; L102-V291 HydrophobicContact CD1-CB 4.4Å; L102-V291 HydrophobicContact CD1-CG1 3.59Å; L102-V291 HydrophobicContact CD1-CG2 3.88Å; L102-P294 VanDerWaalsContact O-CD 3.3Å; L102-P294 WeakPolarHBondContact O-CD 3.11Å
103H96.1Very high94Very high84 Ų8441.2 Ų41.239%0.38923%0.226SC..THydrogen-bonded Turntrans54.727.3-177-61-75.2000114.9G99 R100 P294 I297G99-H103 PolarHBondContact O-N 2.81Å; R100-H103 PolarHBondContact O-N 3.1Å; H103-P294 HydrophobicContact CB-CG 4.35Å; H103-P294 WeakPolarHBondContact O-CG 3.42Å; H103-I297 HydrophobicContact CB-CD1 3.75Å; H103-I297 HydrophobicContact CB-CG2 4.26Å
104I97.5Very high94.5Very high7 Ų740.9 Ų40.94%0.03622%0.221CC..  trans-65.7130.1178-52.1-60000109.6V89 P91 G99 L102 N106 A111 V114 F292V89-I104 HydrophobicContact CB-CG1 4.42Å; P91-I104 HydrophobicContact CG-CG2 4.15Å; G99-I104 PolarHBondContact O-N 3.06Å; L102-I104 HydrophobicContact CB-CD1 4.07Å; L102-I104 HydrophobicContact CB-CG1 3.9Å; L102-I104 PolarHBondContact O-N 3.05Å; L102-I104 VanDerWaalsContact O-N 3.14Å; I104-N106 PolarHBondContact O-N 2.86Å; I104-A111 HydrophobicContact CG2-CB 4.12Å; I104-V114 HydrophobicContact CD1-CG1 4.31Å; I104-F292 WeakPolarHBondContact CD1-O 3.42Å
105P97Very high95.2Very high39 Ų3934.7 Ų34.725%0.25318%0.182SC..  trans-55.3139.8176.4-27.135.3000112.5P91 D107 V114P91-P105 WeakPolarHBondContact CG-O 3.48Å; P105-D107 VanDerWaalsContact C-N 3.27Å; P105-D107 PolarHBondContact O-N 2.92Å; P105-V114 HydrophobicContact CG-CG2 4.09Å
106N94.5Very high95.9Very high120 Ų12033.6 Ų33.664%0.64217%0.173SC*.SBendtrans-79.6-6.8-178.6-74.7-62.2000113.8I104I104-N106 PolarHBondContact O-N 2.86Å
107D96.1Very high96.3Very high89 Ų8937.7 Ų37.748%0.47619%0.192SC..SBendtrans-98.7151.3173.878.9-83000111.3P105 M109 G110 A111P105-D107 VanDerWaalsContact C-N 3.27Å; P105-D107 PolarHBondContact O-N 2.92Å; D107-M109 VanDerWaalsContact C-N 3.33Å; D107-M109 PolarHBondContact O-N 3.29Å; D107-M109 PolarHBondContact OD2-N 3.03Å; D107-M109 VanDerWaalsContact OD2-N 3.15Å; D107-G110 PolarHBondContact OD2-N 2.9Å; D107-A111 WeakPolarHBondContact O-CB 3.15Å; D107-A111 PolarHBondContact O-N 2.79Å
108I97.9Very high96.8Very high18 Ų1837.9 Ų37.99%0.09220%0.198CC..Hα-helixtrans-63.7-39.5-172.7-67.1163.8000111.7F18 E21 I90 M92 L112F18-I108 HydrophobicContact CD2-CD1 3.97Å; F18-I108 HydrophobicContact CD2-CG1 4.12Å; F18-I108 HydrophobicContact CD2-CG2 4.2Å; F18-I108 HydrophobicContact CE2-CG2 4.06Å; E21-I108 HydrophobicContact CB-CD1 3.81Å; E21-I108 HydrophobicContact CG-CD1 3.69Å; I90-I108 HydrophobicContact CG2-CB 4.4Å; I90-I108 HydrophobicContact CG2-CG1 4.05Å; I90-I108 HydrophobicContact CG2-CG2 4.35Å; M92-I108 HydrophobicContact CE-CD1 3.97Å; M92-I108 HydrophobicContact CE-CG1 4.27Å; M92-I108 HydrophobicContact SD-CD1 3.7Å; M92-I108 HydrophobicContact SD-CG1 3.38Å; M92-I108 WeakPolarHBondContact SD-CG1 3.44Å; I108-L112 HydrophobicContact CG2-CD1 4.17Å; I108-L112 VanDerWaalsContact O-CG 3.28Å; I108-L112 WeakPolarHBondContact O-CG 3.49Å; I108-L112 PolarHBondContact O-N 3.05Å; I108-L112 VanDerWaalsContact O-N 3.1Å
109M98Very high97Very high57 Ų5740.8 Ų40.828%0.28121%0.212SC..Hα-helixtrans-76.8-40.9-173.2-66.6-61.9165.400111.3D24 K28 D107 L112 D113D24-M109 HydrophobicContact CB-CE 3.76Å; K28-M109 HydrophobicContact CD-SD 3.71Å; D107-M109 VanDerWaalsContact C-N 3.33Å; D107-M109 PolarHBondContact O-N 3.29Å; D107-M109 PolarHBondContact OD2-N 3.03Å; D107-M109 VanDerWaalsContact OD2-N 3.15Å; M109-L112 WeakPolarHBondContact O-CB 3.4Å; M109-L112 PolarHBondContact O-N 2.97Å; M109-L112 HydrophobicContact SD-CD1 4.15Å; M109-D113 PolarHBondContact O-N 2.86Å; M109-D113 VanDerWaalsContact O-OD2 3.1Å
110G98.4Very high97.2Very high15 Ų1541.9 Ų41.916%0.15522%0.219CC..Hα-helixtrans-62.2-41.4172.400000112.3D107 L112 D113 V114D107-G110 PolarHBondContact OD2-N 2.9Å; G110-L112 VanDerWaalsContact C-N 3.29Å; G110-L112 PolarHBondContact O-N 2.93Å; G110-D113 WeakPolarHBondContact O-CB 3.49Å; G110-D113 PolarHBondContact O-N 2.86Å; G110-D113 VanDerWaalsContact O-N 3.14Å; G110-V114 PolarHBondContact O-N 2.78Å; G110-V114 VanDerWaalsContact O-N 3.16Å
111A98.7Very high97.5Very high0 Ų036.8 Ų36.80%020%0.2CC..Hα-helixtrans-62.5-36.3173.900000112.5I90 I104 D107 I115I90-A111 HydrophobicContact CB-CB 4.42Å; I90-A111 HydrophobicContact CG1-CB 4.18Å; I90-A111 HydrophobicContact CG2-CB 4.29Å; I104-A111 HydrophobicContact CG2-CB 4.12Å; D107-A111 WeakPolarHBondContact O-CB 3.15Å; D107-A111 PolarHBondContact O-N 2.79Å; A111-I115 WeakPolarHBondContact O-CG1 3.38Å; A111-I115 PolarHBondContact O-N 3.44Å
112L98.7Very high97.8Very high0 Ų041.2 Ų41.20%022%0.219CC..Hα-helixtrans-69.4-35.1173.1-73.2171.2000112.6A25 K28 L29 I90 I108 M109 G110 I115 I116A25-L112 HydrophobicContact CB-CD1 3.69Å; K28-L112 HydrophobicContact CD-CB 3.87Å; K28-L112 HydrophobicContact CD-CD1 3.95Å; L29-L112 HydrophobicContact CD1-CD2 3.78Å; L29-L112 HydrophobicContact CD2-CD2 4.02Å; L29-L112 HydrophobicContact CG-CD2 3.88Å; I90-L112 HydrophobicContact CD1-CD2 3.74Å; I90-L112 HydrophobicContact CD1-CG 4.07Å; I108-L112 HydrophobicContact CG2-CD1 4.17Å; I108-L112 VanDerWaalsContact O-CG 3.28Å; I108-L112 WeakPolarHBondContact O-CG 3.49Å; I108-L112 PolarHBondContact O-N 3.05Å; I108-L112 VanDerWaalsContact O-N 3.1Å; M109-L112 WeakPolarHBondContact O-CB 3.4Å; M109-L112 PolarHBondContact O-N 2.97Å; M109-L112 HydrophobicContact SD-CD1 4.15Å; G110-L112 VanDerWaalsContact C-N 3.29Å; G110-L112 PolarHBondContact O-N 2.93Å; L112-I115 HydrophobicContact CD2-CD1 4.44Å; L112-I115 PolarHBondContact O-N 3.28Å; L112-I116 WeakPolarHBondContact O-CB 3.45Å; L112-I116 WeakPolarHBondContact O-CD1 3.3Å; L112-I116 WeakPolarHBondContact O-CG1 3.37Å; L112-I116 PolarHBondContact O-N 3.41Å
113D98.6Very high97.9Very high62 Ų6241.2 Ų41.233%0.33222%0.219SC..Hα-helixtrans-60.3-46.5175.8-75.7-41.7000110.9K28 M109 G110 I115 I116 E117K28-D113 WeakPolarHBondContact CE-OD1 3.41Å; K28-D113 IonicContact NZ-OD1 2.59Å; K28-D113 PolarHBondContact NZ-OD1 3.5Å; K28-D113 IonicContact NZ-OD2 3.04Å; K28-D113 PolarHBondContact NZ-OD2 3.34Å; M109-D113 PolarHBondContact O-N 2.86Å; M109-D113 VanDerWaalsContact O-OD2 3.1Å; G110-D113 WeakPolarHBondContact O-CB 3.49Å; G110-D113 PolarHBondContact O-N 2.86Å; G110-D113 VanDerWaalsContact O-N 3.14Å; D113-I115 VanDerWaalsContact C-N 3.3Å; D113-I115 PolarHBondContact O-N 2.94Å; D113-I116 PolarHBondContact O-N 3.4Å; D113-E117 WeakPolarHBondContact O-CG 3.42Å; D113-E117 PolarHBondContact O-N 3.49Å
114V98.7Very high98Very high9 Ų937.4 Ų37.46%0.05520%0.201CC..Hα-helixtrans-54.4-44.5173.4173.90000112.2I104 P105 G110 I116 G118 F292 A293 P294I104-V114 HydrophobicContact CD1-CG1 4.31Å; P105-V114 HydrophobicContact CG-CG2 4.09Å; G110-V114 PolarHBondContact O-N 2.78Å; G110-V114 VanDerWaalsContact O-N 3.16Å; V114-I116 PolarHBondContact O-N 2.84Å; V114-G118 PolarHBondContact O-N 2.91Å; V114-F292 HydrophobicContact CG1-CB 4.13Å; V114-A293 VanDerWaalsContact CG1-C 3.43Å; V114-P294 HydrophobicContact CG2-CB 4.37Å; V114-P294 HydrophobicContact CG2-CG 4.05Å
115I98.8Very high98.1Very high1 Ų137.1 Ų37.11%0.00520%0.2CC..Hα-helixtrans-66.4-38.1178.8-65.4163.5000111.6L29 V61 I63 I90 A111 L112 D113 G118 F292L29-I115 HydrophobicContact CD2-CG2 4.46Å; V61-I115 HydrophobicContact CG1-CG2 4.45Å; I63-I115 HydrophobicContact CD1-CD1 4.22Å; I63-I115 HydrophobicContact CD1-CG2 4.28Å; I63-I115 HydrophobicContact CG1-CD1 4.21Å; I63-I115 HydrophobicContact CG2-CD1 3.94Å; I90-I115 HydrophobicContact CG1-CD1 4.28Å; A111-I115 WeakPolarHBondContact O-CG1 3.38Å; A111-I115 PolarHBondContact O-N 3.44Å; L112-I115 HydrophobicContact CD2-CD1 4.44Å; L112-I115 PolarHBondContact O-N 3.28Å; D113-I115 VanDerWaalsContact C-N 3.3Å; D113-I115 PolarHBondContact O-N 2.94Å; I115-G118 PolarHBondContact O-N 2.81Å; I115-F292 HydrophobicContact CB-CD2 4.31Å; I115-F292 HydrophobicContact CG1-CB 4.3Å; I115-F292 HydrophobicContact CG1-CD2 4.07Å; I115-F292 HydrophobicContact CG1-CG 4.4Å; I115-F292 HydrophobicContact CG2-CD2 4.03Å; I115-F292 HydrophobicContact CG2-CE2 4.05Å
116I98.6Very high98.1Very high50 Ų5035.2 Ų35.226%0.25619%0.188SC..Hα-helixtrans-74.6-40.5-176.3-73.9165.1000111.6K28 L29 A32 L112 D113 V114 G118K28-I116 HydrophobicContact CD-CD1 4.21Å; K28-I116 HydrophobicContact CG-CD1 3.76Å; L29-I116 HydrophobicContact CD2-CD1 4.37Å; L29-I116 HydrophobicContact CD2-CG1 4.09Å; A32-I116 HydrophobicContact CB-CB 4.25Å; A32-I116 HydrophobicContact CB-CD1 3.85Å; A32-I116 HydrophobicContact CB-CG1 3.67Å; A32-I116 HydrophobicContact CB-CG2 3.61Å; L112-I116 WeakPolarHBondContact O-CB 3.45Å; L112-I116 WeakPolarHBondContact O-CD1 3.3Å; L112-I116 WeakPolarHBondContact O-CG1 3.37Å; L112-I116 PolarHBondContact O-N 3.41Å; D113-I116 PolarHBondContact O-N 3.4Å; V114-I116 PolarHBondContact O-N 2.84Å; I116-G118 PolarHBondContact O-N 2.89Å
117E97.9Very high98.3Very high97 Ų9731.8 Ų31.845%0.45317%0.167SC..Hα-helixtrans-58.7-35.8172.9-71.8170.3-164.400111D113 H119 N295D113-E117 WeakPolarHBondContact O-CG 3.42Å; D113-E117 PolarHBondContact O-N 3.49Å; E117-H119 PolarHBondContact O-CD2 2.77Å; E117-N295 PolarHBondContact OE2-ND2 2.83Å
118G97.8Very high98.4Very high21 Ų2127.8 Ų27.822%0.21615%0.145CC..  trans868.6162.800000115.2V114 I115 I116V114-G118 PolarHBondContact O-N 2.91Å; I115-G118 PolarHBondContact O-N 2.81Å; I116-G118 PolarHBondContact O-N 2.89Å
119H98.4Very high98.4Very high67 Ų6730.2 Ų30.231%0.3116%0.159SC..  trans-73.5134.7171.5-68.4-110.7000109.7E117 F292 A293 N295 H307E117-H119 PolarHBondContact O-CD2 2.77Å; H119-F292 VanDerWaalsContact O-CA 3.27Å; H119-F292 WeakPolarHBondContact O-CA 3.49Å; H119-F292 WeakPolarHBondContact O-CD1 3.23Å; H119-A293 PolarHBondContact O-N 3.18Å; H119-N295 HydrophobicContact CB-CB 3.86Å; H119-N295 PolarHBondContact CD2-ND2 3.49Å; H119-H307 HydrophobicContact CB-CB 4.38Å; H119-H307 PolarHBondContact ND1-O 3.48Å
120S98.4Very high98.3Very high26 Ų2635 Ų3518%0.18219%0.185CC..EExtended strand (participates in β ladder)trans-144.7149.2-174.3710000112.4K86 D290 V291 H307K86-S120 WeakPolarHBondContact CE-OG 3.17Å; K86-S120 PolarHBondContact NZ-OG 2.72Å; S120-D290 WeakPolarHBondContact CB-OD1 3.39Å; S120-D290 PolarHBondContact OG-OD1 2.91Å; S120-V291 CarbonylContact C-O 3.51Å; S120-V291 WeakPolarHBondContact CA-O 3.18Å; S120-V291 WeakPolarHBondContact CB-O 3.27Å; S120-H307 WeakPolarHBondContact O-CB 3.22Å
121T98.6Very high98.2Very high3 Ų339.8 Ų39.82%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-116.6161174.6-171.10000110.2L102 V123 D290 V291 A293 L302L102-T121 HydrophobicContact CD2-CG2 3.8Å; T121-V123 HydrophobicContact CG2-CG1 4.21Å; T121-D290 WeakPolarHBondContact O-CA 3.3Å; T121-V291 HydrophobicContact CG2-CG1 4Å; T121-V291 PolarHBondContact N-O 3.45Å; T121-V291 WeakPolarHBondContact O-CG1 3.35Å; T121-V291 PolarHBondContact O-N 2.92Å; T121-A293 HydrophobicContact CG2-CB 3.96Å; T121-L302 HydrophobicContact CG2-CD1 3.9Å
122K98.6Very high98.2Very high98 Ų9841.2 Ų41.243%0.42620%0.204SC..EExtended strand (participates in β ladder)trans-106.6124.2174.7-65.1-176.1-179.4179.10109.9D215 R287 I289 D290K122-D215 WeakPolarHBondContact O-CB 3.14Å; K122-R287 HydrophobicContact CB-CB 3.71Å; K122-R287 HydrophobicContact CB-CG 4.37Å; K122-R287 HydrophobicContact CD-CB 4.42Å; K122-I289 CarbonylContact C-O 3.58Å; K122-I289 VanDerWaalsContact CA-O 3.27Å; K122-I289 WeakPolarHBondContact CA-O 3.42Å; K122-D290 HydrophobicContact CG-CB 4.23Å
123V98.5Very high98.1Very high3 Ų341.2 Ų41.22%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-111.7154.2178.8-59.20000111.9F98 L102 T121 L214 R287 H288 I289 V291F98-V123 HydrophobicContact CE2-CG2 4.14Å; F98-V123 HydrophobicContact CZ-CG2 3.81Å; L102-V123 HydrophobicContact CD1-CG1 4.46Å; L102-V123 HydrophobicContact CD2-CG1 3.91Å; T121-V123 HydrophobicContact CG2-CG1 4.21Å; V123-L214 WeakPolarHBondContact CA-O 3.21Å; V123-L214 HydrophobicContact CG1-CB 4.26Å; V123-R287 CarbonylContact O-C 3.28Å; V123-R287 WeakPolarHBondContact O-CA 3.41Å; V123-H288 PolarHBondContact O-N 3.14Å; V123-I289 HydrophobicContact CG2-CB 4.09Å; V123-I289 PolarHBondContact N-O 2.99Å; V123-I289 PolarHBondContact O-N 3.11Å; V123-I289 VanDerWaalsContact O-N 3.14Å; V123-V291 HydrophobicContact CG1-CG1 3.99Å; V123-V291 HydrophobicContact CG2-CG1 4.1Å
124D98.6Very high98Very high3 Ų338.3 Ų38.32%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-68.4149.4170.6-64.9-2.5000110.8L198 L214 D215 G217 N284 L285 E286 R287D124-L198 HydrophobicContact CB-CD2 3.9Å; D124-L214 WeakPolarHBondContact CB-O 3.19Å; D124-L214 PolarHBondContact N-O 3.27Å; D124-D215 WeakPolarHBondContact OD1-CA 3.5Å; D124-G217 WeakPolarHBondContact OD2-CA 3.43Å; D124-G217 PolarHBondContact OD2-N 3.07Å; D124-N284 WeakPolarHBondContact CB-OD1 3.34Å; D124-N284 PolarHBondContact OD2-ND2 2.82Å; D124-N284 PolarHBondContact OD2-OD1 2.88Å; D124-L285 WeakPolarHBondContact CA-O 3.23Å; D124-E286 VanDerWaalsContact OD1-CA 3.28Å; D124-E286 WeakPolarHBondContact OD1-CA 3.46Å; D124-R287 PolarHBondContact OD1-N 2.88Å
125I98.6Very high97.7Very high1 Ų138 Ų381%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-130.9156.7162.968.8168.4000109.9V75 A79 Y132 I134 L285 H288 I289V75-I125 HydrophobicContact CG1-CD1 3.77Å; V75-I125 HydrophobicContact CG1-CG2 4.13Å; A79-I125 HydrophobicContact CB-CD1 3.67Å; I125-Y132 HydrophobicContact CD1-CD1 3.99Å; I125-Y132 HydrophobicContact CD1-CG 4.33Å; I125-I134 HydrophobicContact CG2-CG2 4.11Å; I125-L285 HydrophobicContact CD1-CD1 4.21Å; I125-L285 HydrophobicContact CG1-CB 3.95Å; I125-L285 HydrophobicContact CG1-CD1 4.07Å; I125-L285 HydrophobicContact CG1-CG 4.37Å; I125-L285 PolarHBondContact N-O 3.04Å; I125-L285 PolarHBondContact O-N 3.2Å; I125-H288 HydrophobicContact CG1-CB 4.27Å; I125-I289 HydrophobicContact CD1-CD1 4.48Å; I125-I289 HydrophobicContact CD1-CG1 4.27Å; I125-I289 HydrophobicContact CG2-CB 4.31Å; I125-I289 HydrophobicContact CG2-CG1 3.51Å
126G98.6Very high97.3Very high0 Ų038.7 Ų38.70%019%0.19CC..EExtended strand (participates in β ladder)trans-94.5133.8176.600000111Y132 F133G126-Y132 CarbonylContact O-C 3.56Å; G126-Y132 WeakPolarHBondContact O-CA 3.38Å; G126-F133 VanDerWaalsContact CA-CE1 3.45Å; G126-F133 PolarHBondContact N-O 2.87Å; G126-F133 VanDerWaalsContact O-CD1 3.28Å; G126-F133 WeakPolarHBondContact O-CD1 3.35Å; G126-F133 PolarHBondContact O-N 3.33Å
127K98.7Very high97Very high47 Ų4736.4 Ų36.420%0.20418%0.179CC..EExtended strand (participates in β ladder)trans-100.8124.8164.7-176.3175.8-177.5171.40108.4E80 N129 R131 Y132 F282 L283 L285E80-K127 IonicContact OE1-NZ 2.68Å; E80-K127 PolarHBondContact OE1-NZ 3.36Å; E80-K127 VanDerWaalsContact OE2-CE 3.27Å; E80-K127 WeakPolarHBondContact OE2-CE 3.49Å; E80-K127 IonicContact OE2-NZ 3.98Å; E80-K127 PolarHBondContact OE2-NZ 3.22Å; K127-N129 VanDerWaalsContact CE-O 3.3Å; K127-N129 WeakPolarHBondContact CE-O 3.38Å; K127-R131 CarbonylContact C-O 3.46Å; K127-R131 WeakPolarHBondContact CA-O 3.13Å; K127-Y132 HydrophobicContact CB-CD1 4.06Å; K127-Y132 HydrophobicContact CB-CE1 4.28Å; K127-Y132 HydrophobicContact CD-CE1 4.09Å; K127-Y132 HydrophobicContact CG-CD1 4.15Å; K127-Y132 HydrophobicContact CG-CE1 4.01Å; K127-F282 CarbonylContact O-C 3.56Å; K127-F282 WeakPolarHBondContact O-CA 3.4Å; K127-L283 HydrophobicContact CB-CB 4.43Å; K127-L283 PolarHBondContact N-O 3.26Å; K127-L283 PolarHBondContact O-N 2.74Å; K127-L285 HydrophobicContact CB-CD1 4.28Å; K127-L285 HydrophobicContact CB-CG 4.28Å
128M98.1Very high96.7Very high5 Ų532.2 Ų32.23%0.02516%0.161CC..EExtended strand (participates in β ladder)trans-116.3112.4170.9-177.7-17481.600109N130 R131 F133 L268 V270 G275 A280 N281 F282M128-N130 PolarHBondContact O-N 3.3Å; M128-R131 HydrophobicContact CB-CG 4.33Å; M128-R131 HydrophobicContact CE-CG 3.92Å; M128-R131 PolarHBondContact N-O 2.84Å; M128-R131 VanDerWaalsContact O-CG 3.29Å; M128-R131 WeakPolarHBondContact O-CG 3.35Å; M128-R131 PolarHBondContact O-N 3.23Å; M128-F133 HydrophobicContact CB-CD1 4.29Å; M128-F133 HydrophobicContact CB-CE1 4.18Å; M128-L268 HydrophobicContact CE-CD1 4.35Å; M128-L268 HydrophobicContact SD-CD1 3.73Å; M128-V270 HydrophobicContact CE-CG2 3.82Å; M128-V270 HydrophobicContact SD-CG2 3.7Å; M128-G275 WeakPolarHBondContact CE-O 3.5Å; M128-A280 HydrophobicContact CG-CB 4.08Å; M128-A280 HydrophobicContact SD-CB 4.28Å; M128-N281 CarbonylContact C-O 3.59Å; M128-N281 WeakPolarHBondContact CA-O 3.46Å; M128-F282 HydrophobicContact CB-CD1 3.73Å; M128-F282 HydrophobicContact CB-CE1 3.64Å; M128-F282 HydrophobicContact CG-CD1 3.76Å; M128-F282 HydrophobicContact CG-CE1 3.28Å; M128-F282 HydrophobicContact CG-CE2 4.44Å; M128-F282 HydrophobicContact CG-CZ 3.68Å; M128-F282 HydrophobicContact SD-CD1 4.44Å; M128-F282 HydrophobicContact SD-CE1 3.42Å; M128-F282 WeakPolarHBondContact SD-CE1 3.47Å; M128-F282 HydrophobicContact SD-CZ 3.6Å; M128-F282 VanDerWaalsContact SD-CZ 3.6Å
129N97.4Very high96.3Very high70 Ų7031.3 Ų31.337%0.37415%0.152SC..THydrogen-bonded Turntrans50.5-105.8-171.4-62.6-27.5000110.7K127 P279 N281K127-N129 VanDerWaalsContact CE-O 3.3Å; K127-N129 WeakPolarHBondContact CE-O 3.38Å; N129-P279 PolarHBondContact ND2-O 3.35Å; N129-N281 PolarHBondContact N-O 2.81Å; N129-N281 PolarHBondContact OD1-N 2.59Å
130N95.9Very high95.4Very high157 Ų15728.3 Ų28.384%0.8414%0.139SC*.THydrogen-bonded Turntrans-112.916-179.9-63.9-47.4000113.8M128M128-N130 PolarHBondContact O-N 3.3Å
131R96.9Very high94Very high116 Ų11630.8 Ų30.844%0.43815%0.148SC..EExtended strand (participates in β ladder)trans-126.7167.617667.1172.464-179.2-6.6111.2K127 M128 G275K127-R131 CarbonylContact C-O 3.46Å; K127-R131 WeakPolarHBondContact CA-O 3.13Å; M128-R131 HydrophobicContact CB-CG 4.33Å; M128-R131 HydrophobicContact CE-CG 3.92Å; M128-R131 PolarHBondContact N-O 2.84Å; M128-R131 VanDerWaalsContact O-CG 3.29Å; M128-R131 WeakPolarHBondContact O-CG 3.35Å; M128-R131 PolarHBondContact O-N 3.23Å; R131-G275 PolarHBondContact NH1-O 3.12Å
132Y98.4Very high92Very high30 Ų3032.1 Ų32.112%0.11815%0.154CC..EExtended strand (participates in β ladder)trans-121.6159.2-177.4-46.4-89.3000112.3N72 N76 A79 E80 I125 G126 K127 L285N72-Y132 PolarHBondContact ND2-O 2.88Å; N76-Y132 HydrophobicContact CB-CD2 4.32Å; N76-Y132 PolarHBondContact ND2-O 3.39Å; N76-Y132 WeakPolarHBondContact OD1-CD2 3.24Å; N76-Y132 PolarHBondContact OD1-N 2.77Å; A79-Y132 HydrophobicContact CB-CD1 3.63Å; A79-Y132 HydrophobicContact CB-CD2 3.62Å; A79-Y132 HydrophobicContact CB-CE1 3.62Å; A79-Y132 HydrophobicContact CB-CE2 3.59Å; A79-Y132 HydrophobicContact CB-CG 3.61Å; A79-Y132 PolarHBondContact O-OH 2.92Å; E80-Y132 HydrophobicContact CG-CE1 3.9Å; E80-Y132 WeakPolarHBondContact OE2-CE1 3.46Å; E80-Y132 PolarHBondContact OE2-OH 2.8Å; I125-Y132 HydrophobicContact CD1-CD1 3.99Å; I125-Y132 HydrophobicContact CD1-CG 4.33Å; G126-Y132 CarbonylContact O-C 3.56Å; G126-Y132 WeakPolarHBondContact O-CA 3.38Å; K127-Y132 HydrophobicContact CB-CD1 4.06Å; K127-Y132 HydrophobicContact CB-CE1 4.28Å; K127-Y132 HydrophobicContact CD-CE1 4.09Å; K127-Y132 HydrophobicContact CG-CD1 4.15Å; K127-Y132 HydrophobicContact CG-CE1 4.01Å; Y132-L285 HydrophobicContact CD1-CD1 4.14Å; Y132-L285 HydrophobicContact CE1-CD1 3.98Å
133F96.7Very high89.6Confident0 Ų029.9 Ų29.90%015%0.149CC..EExtended strand (participates in β ladder)trans-147.8157175.968.5-83.5000111.4N72 G126 M128 A137 L198 F219 V270 D271 F282N72-F133 WeakPolarHBondContact ND2-CA 3.44Å; G126-F133 VanDerWaalsContact CA-CE1 3.45Å; G126-F133 PolarHBondContact N-O 2.87Å; G126-F133 VanDerWaalsContact O-CD1 3.28Å; G126-F133 WeakPolarHBondContact O-CD1 3.35Å; G126-F133 PolarHBondContact O-N 3.33Å; M128-F133 HydrophobicContact CB-CD1 4.29Å; M128-F133 HydrophobicContact CB-CE1 4.18Å; F133-A137 HydrophobicContact CE1-CB 4.31Å; F133-A137 HydrophobicContact CE2-CB 4.12Å; F133-A137 HydrophobicContact CZ-CB 3.98Å; F133-L198 HydrophobicContact CD2-CD1 3.6Å; F133-L198 HydrophobicContact CE2-CD1 3.54Å; F133-L198 HydrophobicContact CE2-CG 4.15Å; F133-L198 HydrophobicContact CG-CD1 4.45Å; F133-L198 HydrophobicContact CZ-CD1 4.36Å; F133-L198 WeakPolarHBondContact O-CD1 3.39Å; F133-F219 HydrophobicContact CE1-CE1 4.21Å; F133-F219 HydrophobicContact CE1-CZ 4.2Å; F133-F219 HydrophobicContact CE2-CD1 4.43Å; F133-F219 AromaticContact CE2-CE1 3.8Å; F133-F219 HydrophobicContact CE2-CE1 3.8Å; F133-F219 HydrophobicContact CZ-CD1 4.18Å; F133-F219 AromaticContact CZ-CE1 3.32Å; F133-F219 HydrophobicContact CZ-CE1 3.32Å; F133-F219 AromaticContact CZ-CZ 3.68Å; F133-F219 HydrophobicContact CZ-CZ 3.68Å; F133-V270 HydrophobicContact CB-CG1 3.36Å; F133-V270 HydrophobicContact CD1-CG1 4.29Å; F133-V270 HydrophobicContact CG-CG1 3.93Å; F133-D271 WeakPolarHBondContact CA-OD2 3.4Å; F133-D271 WeakPolarHBondContact CB-OD2 3.46Å; F133-F282 AromaticContact CE1-CD1 3.88Å; F133-F282 HydrophobicContact CE1-CD1 3.88Å; F133-F282 HydrophobicContact CE1-CE1 4.31Å; F133-F282 HydrophobicContact CZ-CD1 4.15Å
134I96Very high86.8Confident1 Ų135.9 Ų35.91%0.00518%0.177CC..SBendtrans-121.3-17.3-170.961.3172.2000113.1L71 N72 V75 F98 I125 D271L71-I134 HydrophobicContact CB-CD1 3.87Å; L71-I134 HydrophobicContact CD2-CD1 3.54Å; L71-I134 HydrophobicContact CG-CD1 3.56Å; N72-I134 HydrophobicContact CB-CD1 4.48Å; V75-I134 HydrophobicContact CB-CG2 3.97Å; V75-I134 HydrophobicContact CG1-CG2 3.79Å; V75-I134 HydrophobicContact CG2-CG2 3.91Å; F98-I134 HydrophobicContact CB-CD1 4.11Å; F98-I134 HydrophobicContact CD2-CB 3.85Å; F98-I134 HydrophobicContact CD2-CD1 3.89Å; F98-I134 HydrophobicContact CD2-CG1 4.13Å; F98-I134 HydrophobicContact CE2-CB 3.98Å; F98-I134 HydrophobicContact CE2-CD1 4.47Å; F98-I134 HydrophobicContact CG-CD1 4.05Å; I125-I134 HydrophobicContact CG2-CG2 4.11Å; I134-D271 WeakPolarHBondContact CG1-OD2 3.26Å; I134-D271 PolarHBondContact N-OD2 3.12Å
135N91.8Very high84.2Confident3 Ų338.4 Ų38.42%0.01619%0.192CC..SBendtrans-118-65.9-178.1-69.1-51.6000112D68 L198 T199 M202 D271D68-N135 PolarHBondContact OD1-ND2 2.94Å; N135-L198 PolarHBondContact O-N 3.06Å; N135-T199 PolarHBondContact O-N 3.3Å; N135-T199 WeakPolarHBondContact OD1-CG2 3.39Å; N135-T199 PolarHBondContact OD1-OG1 3.21Å; N135-M202 VanDerWaalsContact C-SD 3.6Å; N135-M202 HydrophobicContact CB-CE 3.54Å; N135-M202 HydrophobicContact CB-SD 3.73Å; N135-D271 WeakPolarHBondContact CA-OD1 3.33Å; N135-D271 VanDerWaalsContact CB-OD1 3.31Å; N135-D271 WeakPolarHBondContact CB-OD1 3.25Å; N135-D271 PolarHBondContact N-OD1 3.04Å
136L91.2Very high81.3Confident15 Ų1543 Ų438%0.07922%0.224CC..EExtended strand (participates in β ladder)trans-156.5140.2-172.6167.975.3000113.7A138 F195 L196 M202 V270 D271L136-A138 HydrophobicContact CD2-CB 4.32Å; L136-A138 HydrophobicContact CG-CB 4.32Å; L136-F195 HydrophobicContact CD1-CB 3.59Å; L136-F195 HydrophobicContact CD1-CD1 4.05Å; L136-F195 HydrophobicContact CD1-CG 4.03Å; L136-F195 HydrophobicContact CD2-CD1 4.33Å; L136-L196 WeakPolarHBondContact CA-O 3.32Å; L136-M202 HydrophobicContact CB-CE 3.36Å; L136-M202 HydrophobicContact CB-SD 3.11Å; L136-M202 WeakPolarHBondContact CB-SD 3.46Å; L136-M202 HydrophobicContact CD2-CE 3.79Å; L136-M202 HydrophobicContact CD2-SD 3.84Å; L136-M202 HydrophobicContact CG-CE 4.21Å; L136-M202 HydrophobicContact CG-SD 4.03Å; L136-V270 WeakPolarHBondContact O-CA 3.46Å; L136-D271 PolarHBondContact N-OD1 2.66Å; L136-D271 PolarHBondContact O-N 2.79Å
137A92.4Very high78.7Confident1 Ų152.5 Ų52.51%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-105.5132.4156.600000110.3F133 F195 L196 N269 V270 F282F133-A137 HydrophobicContact CE1-CB 4.31Å; F133-A137 HydrophobicContact CE2-CB 4.12Å; F133-A137 HydrophobicContact CZ-CB 3.98Å; A137-F195 CarbonylContact O-C 3.48Å; A137-F195 WeakPolarHBondContact O-CA 3.45Å; A137-L196 HydrophobicContact CB-CB 4.27Å; A137-L196 PolarHBondContact N-O 3.1Å; A137-L196 PolarHBondContact O-N 3.28Å; A137-N269 CarbonylContact C-O 3.59Å; A137-N269 WeakPolarHBondContact CA-O 3.23Å; A137-V270 HydrophobicContact CB-CG2 4.09Å; A137-F282 HydrophobicContact CB-CD1 4.33Å; A137-F282 HydrophobicContact CB-CE1 3.52Å; A137-F282 HydrophobicContact CB-CZ 4.21Å
138A90.6Very high76.2Confident10 Ų1058.1 Ų58.18%0.08329%0.289CS..EExtended strand (participates in β ladder)trans-127.7143.5-18000000110.8L136 F194 F195 L268 N269L136-A138 HydrophobicContact CD2-CB 4.32Å; L136-A138 HydrophobicContact CG-CB 4.32Å; A138-F194 WeakPolarHBondContact CA-O 3.42Å; A138-F195 HydrophobicContact CB-CD1 3.51Å; A138-F195 HydrophobicContact CB-CE1 3.66Å; A138-L268 CarbonylContact O-C 3.49Å; A138-L268 WeakPolarHBondContact O-CA 3.37Å; A138-N269 HydrophobicContact CB-CB 4.37Å; A138-N269 PolarHBondContact N-O 3.13Å; A138-N269 PolarHBondContact O-N 3.09Å
139G89.5Confident73.6Confident2 Ų259.4 Ų59.42%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-138.8146.7171.500000111.8L193 F194G139-L193 CarbonylContact O-C 3.55Å; G139-L193 WeakPolarHBondContact O-CA 3.28Å; G139-L193 WeakPolarHBondContact O-CB 3.44Å; G139-F194 PolarHBondContact N-O 3.13Å; G139-F194 PolarHBondContact O-N 3.38Å
140G80.9Confident71.3Confident4 Ų459 Ų594%0.04130%0.298CS..EExtended strand (participates in β ladder)trans160.3158-17800000109.3L142 T143G140-L142 PolarHBondContact O-N 2.74Å; G140-L142 VanDerWaalsContact O-N 3.12Å; G140-T143 PolarHBondContact O-N 3.4Å; G140-T143 PolarHBondContact O-OG1 2.89Å; G140-T143 VanDerWaalsContact O-OG1 3.07Å
141Q66.9Low69.4Low78 Ų7856.2 Ų56.236%0.36429%0.291SS..G310 helixtrans-67.7-14.7-174.8-171.2161.1-5.600113.5T143Q141-T143 VanDerWaalsContact C-N 3.26Å; Q141-T143 PolarHBondContact O-N 3.28Å
142L57.3Low67.5Low31 Ų3158.2 Ų58.216%0.16230%0.303CS..G310 helixtrans-73.8-6.7177.1-76.4-174.6000115.3G140 Q144 V145 M169 Q172 M173G140-L142 PolarHBondContact O-N 2.74Å; G140-L142 VanDerWaalsContact O-N 3.12Å; L142-Q144 PolarHBondContact O-N 2.93Å; L142-V145 HydrophobicContact CD2-CG2 4.44Å; L142-V145 PolarHBondContact O-N 3.14Å; L142-M169 HydrophobicContact CB-CE 4.37Å; L142-M169 HydrophobicContact CD1-CB 4.06Å; L142-M169 HydrophobicContact CD1-CE 4.13Å; L142-M169 HydrophobicContact CD2-CB 4.25Å; L142-M169 HydrophobicContact CD2-CE 3.96Å; L142-M169 HydrophobicContact CG-CE 4.4Å; L142-Q172 HydrophobicContact CD2-CB 4.12Å; L142-M173 HydrophobicContact CD1-CE 3.64Å; L142-M173 HydrophobicContact CD1-CG 3.28Å; L142-M173 HydrophobicContact CD1-SD 3.58Å; L142-M173 VanDerWaalsContact CD1-SD 3.58Å; L142-M173 HydrophobicContact CD2-CG 4.14Å; L142-M173 HydrophobicContact CG-CE 4.12Å; L142-M173 HydrophobicContact CG-CG 3.64Å; L142-M173 HydrophobicContact CG-SD 4.4Å
143T49.3Very low65.4Low50 Ų5058.8 Ų58.831%0.30731%0.308SS..G310 helixtrans-64.8-5.9179.152.60000113.9G140 Q141 Q267 N269G140-T143 PolarHBondContact O-N 3.4Å; G140-T143 PolarHBondContact O-OG1 2.89Å; G140-T143 VanDerWaalsContact O-OG1 3.07Å; Q141-T143 VanDerWaalsContact C-N 3.26Å; Q141-T143 PolarHBondContact O-N 3.28Å; T143-Q267 PolarHBondContact OG1-O 3.2Å; T143-N269 HydrophobicContact CG2-CB 4.09Å
144Q39.6Very low63Low130 Ų13063.4 Ų63.461%0.60733%0.327SS*.G310 helixtrans-93.6-8.8177.7-69.7-176.9-2.500115.4L142L142-Q144 PolarHBondContact O-N 2.93Å
145V43.4Very low61.1Low55 Ų5567.9 Ų67.933%0.33336%0.359SS..SBendtrans-95.1116.2-178.6-174.30000109.1L142 Y147 M169L142-V145 HydrophobicContact CD2-CG2 4.44Å; L142-V145 PolarHBondContact O-N 3.14Å; V145-Y147 PolarHBondContact O-N 3.23Å; V145-M169 HydrophobicContact CB-CE 3.72Å; V145-M169 HydrophobicContact CG1-CE 3.96Å; V145-M169 HydrophobicContact CG2-CE 4.29Å
146S37.3Very low59.7Low98 Ų9874.3 Ų74.369%0.68539%0.392SS*.  trans-60.3131.6179.951.60000111.8E148S146-E148 PolarHBondContact O-N 2.83Å
147Y45Very low58Low199 Ų19975.9 Ų75.978%0.7840%0.402SS*.  trans-74.565.4174.8-72.3-88.3000111.4V145V145-Y147 PolarHBondContact O-N 3.23Å
148E44.7Very low56.2Low166 Ų16677.2 Ų77.278%0.77642%0.416SS*.  trans-107.496.4164.2-73.6-170.8173.800109S146 P150S146-E148 PolarHBondContact O-N 2.83Å; E148-P150 VanDerWaalsContact O-CD 3.32Å; E148-P150 WeakPolarHBondContact O-CD 3.4Å
149T45Very low54.1Low32 Ų3281.3 Ų81.320%0.19644%0.442CS..  trans-65.5121.6162.3-40.90000107.1S151 L153 K154 A161 K165T149-S151 PolarHBondContact O-N 3.36Å; T149-S151 VanDerWaalsContact O-N 3.17Å; T149-L153 HydrophobicContact CG2-CB 4.21Å; T149-K154 HydrophobicContact CG2-CG 3.98Å; T149-A161 HydrophobicContact CG2-CB 4.1Å; T149-K165 HydrophobicContact CG2-CG 4.11Å
150P49.4Very low52.3Low60 Ų6087.9 Ų87.939%0.3947%0.47SS..  trans-54.4128.5173.3-22.331.9000108.6E148 K152 L153E148-P150 VanDerWaalsContact O-CD 3.32Å; E148-P150 WeakPolarHBondContact O-CD 3.4Å; P150-K152 PolarHBondContact O-N 3.21Å; P150-L153 HydrophobicContact CG-CD1 4.31Å; P150-L153 PolarHBondContact O-N 3.37Å
151S54Low50.9Low99 Ų9987.7 Ų87.769%0.69247%0.468SS*.Hα-helixtrans-49-30.9179.353.20000112.8T149 S155T149-S151 PolarHBondContact O-N 3.36Å; T149-S151 VanDerWaalsContact O-N 3.17Å; S151-S155 PolarHBondContact O-N 3.1Å
152K57.2Low50Low159 Ų15990.6 Ų90.669%0.69148%0.477SS*.Hα-helixtrans-59.5-43.6173.5-68-174.2178.8-179.30113.8P150 S155 I156P150-K152 PolarHBondContact O-N 3.21Å; K152-S155 PolarHBondContact O-N 3.46Å; K152-S155 PolarHBondContact O-OG 3.18Å; K152-I156 WeakPolarHBondContact O-CG1 3.37Å; K152-I156 PolarHBondContact O-N 3.47Å
153L54.5Low49.9Very low42 Ų4293.7 Ų93.722%0.2249%0.487CS..Hα-helixtrans-68.5-41.7-179-107.4134.3000111.4T149 P150 S155 I156 V157 A161 I164T149-L153 HydrophobicContact CG2-CB 4.21Å; P150-L153 HydrophobicContact CG-CD1 4.31Å; P150-L153 PolarHBondContact O-N 3.37Å; L153-S155 PolarHBondContact O-N 2.84Å; L153-I156 PolarHBondContact O-N 3.12Å; L153-V157 HydrophobicContact CD2-CG2 4.3Å; L153-V157 VanDerWaalsContact O-CG2 3.27Å; L153-V157 WeakPolarHBondContact O-CG2 3.28Å; L153-V157 PolarHBondContact O-N 2.81Å; L153-A161 HydrophobicContact CB-CB 4.38Å; L153-I164 HydrophobicContact CD2-CB 4.43Å; L153-I164 HydrophobicContact CD2-CD1 4.32Å; L153-I164 HydrophobicContact CD2-CG2 4.07Å
154K48Very low50.4Low96 Ų9694.4 Ų94.442%0.41749%0.488SS..Hα-helixtrans-56.4-37.6172-78.1-174.7174.4-176.60112T149 G158 A161 Y162T149-K154 HydrophobicContact CG2-CG 3.98Å; K154-G158 WeakPolarHBondContact O-CA 3.14Å; K154-G158 PolarHBondContact O-N 3.28Å; K154-A161 HydrophobicContact CG-CB 4.3Å; K154-Y162 PolarHBondContact NZ-OH 2.95Å
155S54.7Low51.5Low95 Ų9590.7 Ų90.766%0.66447%0.47SS*.Hα-helixtrans-72.6-26.4-179.270.50000115.3S151 K152 L153S151-S155 PolarHBondContact O-N 3.1Å; K152-S155 PolarHBondContact O-N 3.46Å; K152-S155 PolarHBondContact O-OG 3.18Å; L153-S155 PolarHBondContact O-N 2.84Å
156I63.5Low52.4Low139 Ų13989.2 Ų89.271%0.71347%0.466SS*.Hα-helixtrans-90.9-44.8-175.2-62.5169.2000111.2K152 L153K152-I156 WeakPolarHBondContact O-CG1 3.37Å; K152-I156 PolarHBondContact O-N 3.47Å; L153-I156 PolarHBondContact O-N 3.12Å
157V55Low53.8Low47 Ų4788.9 Ų88.929%0.28545%0.452SS..Hα-helixtrans-1161.5-171.4-610000113.2L153 F160 A161 I164L153-V157 HydrophobicContact CD2-CG2 4.3Å; L153-V157 VanDerWaalsContact O-CG2 3.27Å; L153-V157 WeakPolarHBondContact O-CG2 3.28Å; L153-V157 PolarHBondContact O-N 2.81Å; V157-F160 HydrophobicContact CB-CB 4.06Å; V157-F160 HydrophobicContact CG2-CB 4.33Å; V157-F160 WeakPolarHBondContact O-CB 3.4Å; V157-F160 PolarHBondContact O-N 2.82Å; V157-F160 VanDerWaalsContact O-N 3.1Å; V157-A161 HydrophobicContact CG2-CB 3.75Å; V157-I164 HydrophobicContact CB-CD1 4.47Å; V157-I164 HydrophobicContact CG1-CD1 4.2Å; V157-I164 HydrophobicContact CG2-CD1 3.99Å
158G55.2Low54.8Low29 Ų2984.1 Ų84.130%0.29944%0.437SS..THydrogen-bonded Turntrans56.8-132.317800000112.2K154 F160 A161K154-G158 WeakPolarHBondContact O-CA 3.14Å; K154-G158 PolarHBondContact O-N 3.28Å; G158-F160 PolarHBondContact O-N 3.23Å; G158-F160 VanDerWaalsContact O-N 3.14Å; G158-A161 VanDerWaalsContact O-CB 3.25Å; G158-A161 WeakPolarHBondContact O-CB 3.18Å; G158-A161 PolarHBondContact O-N 2.87Å
159P46.9Very low55.9Low97 Ų9777.8 Ų77.863%0.6341%0.408SS*.THydrogen-bonded Turntrans-60.8-22.1179.824.6-31.9000113A161 Y162P159-A161 PolarHBondContact O-N 2.79Å; P159-A161 VanDerWaalsContact O-N 3.11Å; P159-Y162 PolarHBondContact O-N 2.7Å
160F50.6Low56.9Low139 Ų13977 Ų7761%0.6140%0.402SS*.Hα-helixtrans-64-17.2175.6-69.4-80.5000113.9V157 G158 Y162 Y163 I164V157-F160 HydrophobicContact CB-CB 4.06Å; V157-F160 HydrophobicContact CG2-CB 4.33Å; V157-F160 WeakPolarHBondContact O-CB 3.4Å; V157-F160 PolarHBondContact O-N 2.82Å; V157-F160 VanDerWaalsContact O-N 3.1Å; G158-F160 PolarHBondContact O-N 3.23Å; G158-F160 VanDerWaalsContact O-N 3.14Å; F160-Y162 PolarHBondContact O-N 2.9Å; F160-Y163 HydrophobicContact CD1-CD2 4.06Å; F160-Y163 HydrophobicContact CD1-CE2 4.49Å; F160-Y163 PolarHBondContact O-N 3.38Å; F160-I164 PolarHBondContact O-N 2.85Å; F160-I164 VanDerWaalsContact O-N 3.08Å
161A51.8Low57.9Low0 Ų078.7 Ų78.70%041%0.414CS..Hα-helixtrans-57.9-33.8176.700000112.3T149 L153 K154 V157 G158 P159 K165T149-A161 HydrophobicContact CG2-CB 4.1Å; L153-A161 HydrophobicContact CB-CB 4.38Å; K154-A161 HydrophobicContact CG-CB 4.3Å; V157-A161 HydrophobicContact CG2-CB 3.75Å; G158-A161 VanDerWaalsContact O-CB 3.25Å; G158-A161 WeakPolarHBondContact O-CB 3.18Å; G158-A161 PolarHBondContact O-N 2.87Å; P159-A161 PolarHBondContact O-N 2.79Å; P159-A161 VanDerWaalsContact O-N 3.11Å; A161-K165 WeakPolarHBondContact O-CB 3.44Å; A161-K165 WeakPolarHBondContact O-CG 3.49Å; A161-K165 PolarHBondContact O-N 2.9Å
162Y47.9Very low58.7Low140 Ų14079.3 Ų79.355%0.54941%0.405SS..Hα-helixtrans-65.1-45.8177.5-75.6-83000111.5K154 P159 F160 K165 G166K154-Y162 PolarHBondContact NZ-OH 2.95Å; P159-Y162 PolarHBondContact O-N 2.7Å; F160-Y162 PolarHBondContact O-N 2.9Å; Y162-K165 PolarHBondContact O-N 2.72Å; Y162-G166 PolarHBondContact O-N 3.15Å
163Y55.6Low59.4Low96 Ų9673.1 Ų73.138%0.37638%0.379SS..Hα-helixtrans-63.1-46.9176.5-59.4-75000111.1F160 K165 G166 F167F160-Y163 HydrophobicContact CD1-CD2 4.06Å; F160-Y163 HydrophobicContact CD1-CE2 4.49Å; F160-Y163 PolarHBondContact O-N 3.38Å; Y163-K165 VanDerWaalsContact C-N 3.29Å; Y163-K165 PolarHBondContact O-N 3.2Å; Y163-G166 PolarHBondContact O-N 3.07Å; Y163-G166 VanDerWaalsContact O-N 3.12Å; Y163-F167 WeakPolarHBondContact O-CD2 3.37Å; Y163-F167 PolarHBondContact O-N 3.22Å
164I58.8Low60.7Low64 Ų6477.3 Ų77.333%0.32840%0.396SS..Hα-helixtrans-57.4-44.6178.6-64.3-179.9000110.7L153 V157 F160 F167 E168L153-I164 HydrophobicContact CD2-CB 4.43Å; L153-I164 HydrophobicContact CD2-CD1 4.32Å; L153-I164 HydrophobicContact CD2-CG2 4.07Å; V157-I164 HydrophobicContact CB-CD1 4.47Å; V157-I164 HydrophobicContact CG1-CD1 4.2Å; V157-I164 HydrophobicContact CG2-CD1 3.99Å; F160-I164 PolarHBondContact O-N 2.85Å; F160-I164 VanDerWaalsContact O-N 3.08Å; I164-F167 PolarHBondContact O-N 2.81Å; I164-E168 HydrophobicContact CG2-CG 4.5Å; I164-E168 WeakPolarHBondContact O-CG 3.46Å; I164-E168 PolarHBondContact O-N 3.12Å
165K63Low62.8Low52 Ų5274 Ų7423%0.22639%0.387CS..Hα-helixtrans-64.7-41.7176.5-78.8-65.5177.1-162.20112.8T149 A161 Y162 Y163 F167 E168 M169T149-K165 HydrophobicContact CG2-CG 4.11Å; A161-K165 WeakPolarHBondContact O-CB 3.44Å; A161-K165 WeakPolarHBondContact O-CG 3.49Å; A161-K165 PolarHBondContact O-N 2.9Å; Y162-K165 PolarHBondContact O-N 2.72Å; Y163-K165 VanDerWaalsContact C-N 3.29Å; Y163-K165 PolarHBondContact O-N 3.2Å; K165-F167 VanDerWaalsContact C-N 3.31Å; K165-F167 PolarHBondContact O-N 3.16Å; K165-E168 WeakPolarHBondContact CD-OE2 3.4Å; K165-E168 WeakPolarHBondContact CE-OE2 3.5Å; K165-E168 IonicContact NZ-OE2 2.72Å; K165-E168 PolarHBondContact NZ-OE2 3.48Å; K165-E168 PolarHBondContact O-N 3.35Å; K165-M169 VanDerWaalsContact O-CG 3.3Å; K165-M169 WeakPolarHBondContact O-CG 3.29Å; K165-M169 PolarHBondContact O-N 3.14Å; K165-M169 VanDerWaalsContact O-N 3.12Å
166G63.3Low64.6Low25 Ų2570 Ų7026%0.25836%0.358SS..Hα-helixtrans-55.5-47.4171.700000111.9Y162 Y163 E168 M169 L170Y162-G166 PolarHBondContact O-N 3.15Å; Y163-G166 PolarHBondContact O-N 3.07Å; Y163-G166 VanDerWaalsContact O-N 3.12Å; G166-E168 PolarHBondContact O-N 2.8Å; G166-M169 PolarHBondContact O-N 2.89Å; G166-L170 PolarHBondContact O-N 2.92Å
167F65Low66.1Low91 Ų9166.5 Ų66.540%0.39934%0.341SS..Hα-helixtrans-62.4-40.5176.6-81.9-74.2000113.1Y163 I164 K165 M169 L170 M236Y163-F167 WeakPolarHBondContact O-CD2 3.37Å; Y163-F167 PolarHBondContact O-N 3.22Å; I164-F167 PolarHBondContact O-N 2.81Å; K165-F167 VanDerWaalsContact C-N 3.31Å; K165-F167 PolarHBondContact O-N 3.16Å; F167-M169 PolarHBondContact O-N 2.98Å; F167-L170 HydrophobicContact CD1-CD1 3.51Å; F167-L170 HydrophobicContact CE1-CD1 4.06Å; F167-L170 HydrophobicContact CG-CD1 4.32Å; F167-L170 WeakPolarHBondContact O-CB 3.35Å; F167-L170 PolarHBondContact O-N 3.33Å; F167-M236 HydrophobicContact CE1-CB 4.01Å; F167-M236 HydrophobicContact CE1-CG 4.23Å; F167-M236 HydrophobicContact CE2-CB 4.31Å; F167-M236 HydrophobicContact CZ-CB 3.62Å; F167-M236 HydrophobicContact CZ-CG 4.22Å
168E67.3Low68.1Low99 Ų9964.4 Ų64.446%0.46333%0.328SS..Hα-helixtrans-63.3-28.3175.9-77.3-179.4178.900112.8I164 K165 G166 P171I164-E168 HydrophobicContact CG2-CG 4.5Å; I164-E168 WeakPolarHBondContact O-CG 3.46Å; I164-E168 PolarHBondContact O-N 3.12Å; K165-E168 WeakPolarHBondContact CD-OE2 3.4Å; K165-E168 WeakPolarHBondContact CE-OE2 3.5Å; K165-E168 IonicContact NZ-OE2 2.72Å; K165-E168 PolarHBondContact NZ-OE2 3.48Å; K165-E168 PolarHBondContact O-N 3.35Å; G166-E168 PolarHBondContact O-N 2.8Å; E168-P171 WeakPolarHBondContact O-CD 3.42Å
169M66.6Low70.2Confident32 Ų3267.1 Ų67.116%0.15833%0.329CS..Hα-helixtrans-83.5-19.9179.5-66.1175.977.300113L142 V145 K165 G166 F167 Q172 M173L142-M169 HydrophobicContact CB-CE 4.37Å; L142-M169 HydrophobicContact CD1-CB 4.06Å; L142-M169 HydrophobicContact CD1-CE 4.13Å; L142-M169 HydrophobicContact CD2-CB 4.25Å; L142-M169 HydrophobicContact CD2-CE 3.96Å; L142-M169 HydrophobicContact CG-CE 4.4Å; V145-M169 HydrophobicContact CB-CE 3.72Å; V145-M169 HydrophobicContact CG1-CE 3.96Å; V145-M169 HydrophobicContact CG2-CE 4.29Å; K165-M169 VanDerWaalsContact O-CG 3.3Å; K165-M169 WeakPolarHBondContact O-CG 3.29Å; K165-M169 PolarHBondContact O-N 3.14Å; K165-M169 VanDerWaalsContact O-N 3.12Å; G166-M169 PolarHBondContact O-N 2.89Å; F167-M169 PolarHBondContact O-N 2.98Å; M169-Q172 WeakPolarHBondContact O-CA 3.43Å; M169-Q172 WeakPolarHBondContact O-CB 3.46Å; M169-Q172 PolarHBondContact O-N 3.5Å; M169-M173 PolarHBondContact O-N 2.91Å
170L67.6Low72.6Confident16 Ų1662.5 Ų62.58%0.08430%0.299CS..G310 helixtrans-52.4-46.4-178.1-65.9176.5000113.7G166 F167 Q172 M173 L232 M236G166-L170 PolarHBondContact O-N 2.92Å; F167-L170 HydrophobicContact CD1-CD1 3.51Å; F167-L170 HydrophobicContact CE1-CD1 4.06Å; F167-L170 HydrophobicContact CG-CD1 4.32Å; F167-L170 WeakPolarHBondContact O-CB 3.35Å; F167-L170 PolarHBondContact O-N 3.33Å; L170-Q172 PolarHBondContact O-N 2.78Å; L170-M173 HydrophobicContact CD2-SD 4.35Å; L170-M173 WeakPolarHBondContact O-CB 3.33Å; L170-M173 PolarHBondContact O-N 2.76Å; L170-L232 HydrophobicContact CB-CD1 4.17Å; L170-L232 HydrophobicContact CD1-CB 4.06Å; L170-L232 HydrophobicContact CD2-CB 4.13Å; L170-L232 HydrophobicContact CD2-CD1 4.21Å; L170-L232 HydrophobicContact CD2-CD2 4.15Å; L170-L232 HydrophobicContact CD2-CG 4.4Å; L170-M236 HydrophobicContact CD1-CG 4.34Å; L170-M236 HydrophobicContact CD2-CG 4.4Å
171P69.6Low74.9Confident96 Ų9659.3 Ų59.362%0.62329%0.286SS*.G310 helixtrans-68.1-16.9179.7-18.533.6000113.7E168 L229E168-P171 WeakPolarHBondContact O-CD 3.42Å; P171-L229 HydrophobicContact CG-CD2 4.49Å
172Q71Confident77.1Confident111 Ų11160.4 Ų60.452%0.51929%0.29SS..G310 helixtrans-89.1-13.9178.9-58.8-175.9-8.100112.3L142 M169 L170 K174L142-Q172 HydrophobicContact CD2-CB 4.12Å; M169-Q172 WeakPolarHBondContact O-CA 3.43Å; M169-Q172 WeakPolarHBondContact O-CB 3.46Å; M169-Q172 PolarHBondContact O-N 3.5Å; L170-Q172 PolarHBondContact O-N 2.78Å; Q172-K174 PolarHBondContact O-N 3.28Å; Q172-K174 VanDerWaalsContact O-N 3.15Å
173M71Confident79.5Confident29 Ų2957.4 Ų57.414%0.14328%0.284CS..  trans-65.8113.6174.1-59.6-159.176.700109.6L142 M169 L170 L192 L193L142-M173 HydrophobicContact CD1-CE 3.64Å; L142-M173 HydrophobicContact CD1-CG 3.28Å; L142-M173 HydrophobicContact CD1-SD 3.58Å; L142-M173 VanDerWaalsContact CD1-SD 3.58Å; L142-M173 HydrophobicContact CD2-CG 4.14Å; L142-M173 HydrophobicContact CG-CE 4.12Å; L142-M173 HydrophobicContact CG-CG 3.64Å; L142-M173 HydrophobicContact CG-SD 4.4Å; M169-M173 PolarHBondContact O-N 2.91Å; L170-M173 HydrophobicContact CD2-SD 4.35Å; L170-M173 WeakPolarHBondContact O-CB 3.33Å; L170-M173 PolarHBondContact O-N 2.76Å; M173-L192 HydrophobicContact CB-CD2 3.99Å; M173-L192 HydrophobicContact CE-CB 3.82Å; M173-L193 HydrophobicContact CE-CB 4.18Å; M173-L193 HydrophobicContact CE-CD2 3.8Å; M173-L193 HydrophobicContact CE-CG 4.33Å
174K83Confident81.5Confident130 Ų13056.7 Ų56.757%0.56531%0.305SS*.  trans-97.9131.4169.5-65.1-172.1-176178.60108.5Q172Q172-K174 PolarHBondContact O-N 3.28Å; Q172-K174 VanDerWaalsContact O-N 3.15Å
175A91Very high83.4Confident28 Ų2857.9 Ų57.923%0.23131%0.312CS..  trans-70.7136.4171.800000109.2E190 A191 L192 K226A175-E190 HydrophobicContact CB-CB 4Å; A175-A191 CarbonylContact C-O 3.59Å; A175-A191 WeakPolarHBondContact CA-O 3.28Å; A175-L192 HydrophobicContact CB-CD2 3.74Å; A175-K226 HydrophobicContact CB-CB 3.81Å; A175-K226 HydrophobicContact CB-CD 3.95Å; A175-K226 HydrophobicContact CB-CG 3.83Å
176V92.3Very high85.1Confident9 Ų958.7 Ų58.76%0.05532%0.321CS..EExtended strand (participates in β ladder)trans-118.2134.4178.4-179.70000107.5L178 E190 A191 T264 L266V176-L178 HydrophobicContact CG1-CD2 4.18Å; V176-L178 PolarHBondContact O-N 3.21Å; V176-E190 WeakPolarHBondContact O-CA 3.49Å; V176-A191 PolarHBondContact N-O 2.93Å; V176-A191 PolarHBondContact O-N 2.74Å; V176-T264 HydrophobicContact CG1-CG2 4.31Å; V176-L266 HydrophobicContact CB-CD1 4.18Å; V176-L266 HydrophobicContact CG1-CD1 4.19Å; V176-L266 HydrophobicContact CG2-CD1 4.22Å
177D95.6Very high86.8Confident67 Ų6758.4 Ų58.436%0.35831%0.313SS..EExtended strand (participates in β ladder)trans-68.1114.9172.4-175.752.6000109.4Q188 G189 S262D177-Q188 PolarHBondContact OD1-NE2 2.98Å; D177-Q188 PolarHBondContact OD2-NE2 2.82Å; D177-G189 VanDerWaalsContact OD1-C 3.32Å; D177-G189 WeakPolarHBondContact OD1-CA 3.37Å; D177-S262 WeakPolarHBondContact O-CB 3.3Å; D177-S262 PolarHBondContact O-OG 3.3Å
178L97.4Very high88.3Confident2 Ų258.7 Ų58.71%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-116.7145.7-177.2-69.8-173.3000110.4V176 I180 F187 Q188 G189 A191 F194 L266 L278V176-L178 HydrophobicContact CG1-CD2 4.18Å; V176-L178 PolarHBondContact O-N 3.21Å; L178-I180 HydrophobicContact CB-CD1 4.49Å; L178-I180 HydrophobicContact CB-CG1 4.34Å; L178-I180 HydrophobicContact CD1-CD1 4.19Å; L178-F187 HydrophobicContact CB-CE1 4.49Å; L178-Q188 WeakPolarHBondContact O-CA 3.35Å; L178-Q188 PolarHBondContact O-NE2 2.86Å; L178-G189 PolarHBondContact N-O 2.78Å; L178-G189 PolarHBondContact O-N 2.94Å; L178-A191 HydrophobicContact CD1-CB 4.02Å; L178-F194 HydrophobicContact CD1-CD1 3.53Å; L178-F194 HydrophobicContact CD1-CE1 3.92Å; L178-L266 HydrophobicContact CD2-CD1 4.12Å; L178-L278 HydrophobicContact CD2-CD1 3.9Å
179R98.3Very high89.7Confident87 Ų8754.8 Ų54.833%0.32830%0.302SS..EExtended strand (participates in β ladder)trans-111.9114.3162.8-177.7177.5177.478.36.8108.5E181 V186 F187 I260 S261R179-E181 HydrophobicContact CG-CG 4.33Å; R179-E181 IonicContact CZ-OE1 2.62Å; R179-E181 IonicContact NE-OE1 2.66Å; R179-E181 PolarHBondContact NE-OE1 3.02Å; R179-E181 IonicContact NH2-OE1 2.74Å; R179-E181 PolarHBondContact NH2-OE1 2.85Å; R179-V186 HydrophobicContact CG-CG1 4.41Å; R179-F187 WeakPolarHBondContact CA-O 3.21Å; R179-I260 WeakPolarHBondContact O-CA 3.23Å; R179-S261 PolarHBondContact N-O 3.4Å; R179-S261 PolarHBondContact O-N 2.93Å
180I98.5Very high91.1Very high0 Ų057.5 Ų57.50%031%0.314CS..EExtended strand (participates in β ladder)trans-118106.6177.8-59.1170.3000107.1L178 Y182 V186 F187 F194 L221 I223 I258 I260L178-I180 HydrophobicContact CB-CD1 4.49Å; L178-I180 HydrophobicContact CB-CG1 4.34Å; L178-I180 HydrophobicContact CD1-CD1 4.19Å; I180-Y182 HydrophobicContact CG2-CD1 4.1Å; I180-V186 WeakPolarHBondContact O-CA 3.1Å; I180-F187 HydrophobicContact CB-CB 4.25Å; I180-F187 HydrophobicContact CB-CD1 4.39Å; I180-F187 HydrophobicContact CD1-CD1 4.09Å; I180-F187 HydrophobicContact CG1-CD1 4.33Å; I180-F187 PolarHBondContact N-O 3.02Å; I180-F187 PolarHBondContact O-N 3.19Å; I180-F194 HydrophobicContact CD1-CB 4.21Å; I180-F194 HydrophobicContact CD1-CG 4.48Å; I180-L221 HydrophobicContact CG2-CD1 4.43Å; I180-L221 HydrophobicContact CG2-CD2 4.32Å; I180-I223 HydrophobicContact CB-CD1 4.44Å; I180-I223 HydrophobicContact CD1-CD1 3.69Å; I180-I223 HydrophobicContact CD1-CG1 3.8Å; I180-I223 HydrophobicContact CD1-CG2 4.23Å; I180-I223 HydrophobicContact CG2-CD1 4.35Å; I180-I258 HydrophobicContact CG2-CG2 3.77Å; I180-I260 HydrophobicContact CG1-CD1 4.4Å; I180-I260 HydrophobicContact CG1-CG1 4.18Å; I180-I260 HydrophobicContact CG1-CG2 4Å; I180-I260 HydrophobicContact CG2-CD1 4.49Å; I180-I260 HydrophobicContact CG2-CG1 4.21Å
181E98.7Very high92.4Very high71 Ų7156.8 Ų56.833%0.33231%0.311SS..EExtended strand (participates in β ladder)trans-93.7126.3172.7-54.8-173.7-164.100108.6R179 N185 V186 I258 N259R179-E181 HydrophobicContact CG-CG 4.33Å; R179-E181 IonicContact CZ-OE1 2.62Å; R179-E181 IonicContact NE-OE1 2.66Å; R179-E181 PolarHBondContact NE-OE1 3.02Å; R179-E181 IonicContact NH2-OE1 2.74Å; R179-E181 PolarHBondContact NH2-OE1 2.85Å; E181-N185 CarbonylContact C-O 3.57Å; E181-N185 WeakPolarHBondContact CA-O 3.46Å; E181-V186 HydrophobicContact CG-CG1 4.44Å; E181-V186 HydrophobicContact CG-CG2 4.14Å; E181-I258 CarbonylContact O-C 3.52Å; E181-I258 VanDerWaalsContact O-CA 3.23Å; E181-I258 WeakPolarHBondContact O-CA 3.49Å; E181-N259 HydrophobicContact CB-CB 4.41Å; E181-N259 PolarHBondContact N-O 3.41Å; E181-N259 PolarHBondContact O-N 3.06Å
182Y98.6Very high93.4Very high24 Ų2452.6 Ų52.69%0.09428%0.283CS..EExtended strand (participates in β ladder)trans-141.1114.7-176.458.4-81.9000110.7I180 G184 N185 F187 L221 E253 A255 A257I180-Y182 HydrophobicContact CG2-CD1 4.1Å; Y182-G184 PolarHBondContact O-N 2.86Å; Y182-N185 HydrophobicContact CD1-CB 4.27Å; Y182-N185 HydrophobicContact CD2-CB 3.85Å; Y182-N185 HydrophobicContact CE1-CB 3.94Å; Y182-N185 HydrophobicContact CE2-CB 3.49Å; Y182-N185 VanDerWaalsContact CE2-CB 3.49Å; Y182-N185 HydrophobicContact CG-CB 4.23Å; Y182-N185 PolarHBondContact N-O 3.03Å; Y182-N185 WeakPolarHBondContact O-CA 3.09Å; Y182-N185 WeakPolarHBondContact O-CB 3.46Å; Y182-N185 PolarHBondContact O-N 2.82Å; Y182-F187 HydrophobicContact CE1-CB 4.12Å; Y182-L221 HydrophobicContact CD1-CD2 3.93Å; Y182-L221 HydrophobicContact CD2-CD2 4.05Å; Y182-L221 HydrophobicContact CE1-CD2 4.44Å; Y182-L221 HydrophobicContact CG-CD2 3.71Å; Y182-E253 HydrophobicContact CD2-CB 4.37Å; Y182-E253 HydrophobicContact CE2-CB 4.03Å; Y182-E253 HydrophobicContact CE2-CG 3.71Å; Y182-A255 HydrophobicContact CD2-CB 4.27Å; Y182-A255 HydrophobicContact CG-CB 4.5Å; Y182-A257 WeakPolarHBondContact CA-O 3.31Å
183D98.1Very high94.3Very high77 Ų7749 Ų4941%0.41227%0.267SS..THydrogen-bonded Turntrans46.138.6-179.3-65.2-15.5000115.1A255 K256 A257D183-A255 VanDerWaalsContact OD2-CA 3.23Å; D183-A255 WeakPolarHBondContact OD2-CA 3.1Å; D183-K256 PolarHBondContact OD1-N 3.11Å; D183-K256 PolarHBondContact OD2-N 3.3Å; D183-A257 PolarHBondContact N-O 3.25Å; D183-A257 VanDerWaalsContact N-O 3.12Å; D183-A257 PolarHBondContact OD1-N 2.94Å
184G97.1Very high95.3Very high80 Ų8047.6 Ų47.683%0.82526%0.261SS*.THydrogen-bonded Turntrans90.7-10.8-179.900000115.1Y182Y182-G184 PolarHBondContact O-N 2.86Å
185N98.4Very high95.8Very high89 Ų8943.7 Ų43.748%0.47624%0.244SC..EExtended strand (participates in β ladder)trans-84.1160.2168.4-57.1-57000110.8E181 Y182E181-N185 CarbonylContact C-O 3.57Å; E181-N185 WeakPolarHBondContact CA-O 3.46Å; Y182-N185 HydrophobicContact CD1-CB 4.27Å; Y182-N185 HydrophobicContact CD2-CB 3.85Å; Y182-N185 HydrophobicContact CE1-CB 3.94Å; Y182-N185 HydrophobicContact CE2-CB 3.49Å; Y182-N185 VanDerWaalsContact CE2-CB 3.49Å; Y182-N185 HydrophobicContact CG-CB 4.23Å; Y182-N185 PolarHBondContact N-O 3.03Å; Y182-N185 WeakPolarHBondContact O-CA 3.09Å; Y182-N185 WeakPolarHBondContact O-CB 3.46Å; Y182-N185 PolarHBondContact O-N 2.82Å
186V98.5Very high96Very high69 Ų6942.4 Ų42.442%0.41823%0.233SC..EExtended strand (participates in β ladder)trans-138.3119.4179.2-176.40000109.9R179 I180 E181 Q188R179-V186 HydrophobicContact CG-CG1 4.41Å; I180-V186 WeakPolarHBondContact O-CA 3.1Å; E181-V186 HydrophobicContact CG-CG1 4.44Å; E181-V186 HydrophobicContact CG-CG2 4.14Å; V186-Q188 HydrophobicContact CG1-CB 4.5Å
187F98.4Very high96Very high20 Ų2042 Ų429%0.08823%0.231CC..EExtended strand (participates in β ladder)trans-89.9127.9158.5171.5-89.3000108.7L178 R179 I180 Y182 A191 I223 E225 I251L178-F187 HydrophobicContact CB-CE1 4.49Å; R179-F187 WeakPolarHBondContact CA-O 3.21Å; I180-F187 HydrophobicContact CB-CB 4.25Å; I180-F187 HydrophobicContact CB-CD1 4.39Å; I180-F187 HydrophobicContact CD1-CD1 4.09Å; I180-F187 HydrophobicContact CG1-CD1 4.33Å; I180-F187 PolarHBondContact N-O 3.02Å; I180-F187 PolarHBondContact O-N 3.19Å; Y182-F187 HydrophobicContact CE1-CB 4.12Å; F187-A191 HydrophobicContact CE1-CB 4.17Å; F187-A191 HydrophobicContact CZ-CB 4.29Å; F187-I223 HydrophobicContact CB-CD1 3.87Å; F187-I223 HydrophobicContact CD1-CD1 4.16Å; F187-I223 HydrophobicContact CD1-CG2 4.31Å; F187-I223 HydrophobicContact CD2-CD1 4.26Å; F187-I223 HydrophobicContact CE1-CG2 3.99Å; F187-I223 HydrophobicContact CE2-CG2 4.31Å; F187-I223 HydrophobicContact CG-CD1 3.83Å; F187-I223 HydrophobicContact CZ-CG2 3.99Å; F187-E225 HydrophobicContact CE2-CG 3.86Å; F187-E225 HydrophobicContact CZ-CG 4.15Å; F187-I251 HydrophobicContact CD2-CD1 3.56Å; F187-I251 HydrophobicContact CE2-CD1 3.73Å
188Q98Very high96Very high96 Ų9639.2 Ų39.245%0.44922%0.216SC..EExtended strand (participates in β ladder)trans-133.8113.8174.2179.570.462.800108.4D177 L178 V186D177-Q188 PolarHBondContact OD1-NE2 2.98Å; D177-Q188 PolarHBondContact OD2-NE2 2.82Å; L178-Q188 WeakPolarHBondContact O-CA 3.35Å; L178-Q188 PolarHBondContact O-NE2 2.86Å; V186-Q188 HydrophobicContact CG1-CB 4.5Å
189G96.8Very high95.6Very high17 Ų1739.3 Ų39.318%0.17522%0.216CC..EExtended strand (participates in β ladder)trans161.9-175.1177.300000114D177 L178 A191D177-G189 VanDerWaalsContact OD1-C 3.32Å; D177-G189 WeakPolarHBondContact OD1-CA 3.37Å; L178-G189 PolarHBondContact N-O 2.78Å; L178-G189 PolarHBondContact O-N 2.94Å; G189-A191 PolarHBondContact O-N 3.14Å
190E95.7Very high94.9Very high89 Ų8935.3 Ų35.342%0.41620%0.202SC..EExtended strand (participates in β ladder)trans-76.6120.6-178.9-65.6-178.997.100111.6A175 V176 K226A175-E190 HydrophobicContact CB-CB 4Å; V176-E190 WeakPolarHBondContact O-CA 3.49Å; E190-K226 HydrophobicContact CB-CB 3.85Å; E190-K226 HydrophobicContact CB-CD 3.92Å; E190-K226 VanDerWaalsContact CD-CD 3.45Å; E190-K226 HydrophobicContact CG-CD 4.34Å; E190-K226 PolarHBondContact O-N 2.93Å; E190-K226 IonicContact OE1-NZ 2.69Å; E190-K226 PolarHBondContact OE1-NZ 3.1Å; E190-K226 WeakPolarHBondContact OE2-CD 3.08Å; E190-K226 IonicContact OE2-NZ 2.69Å; E190-K226 PolarHBondContact OE2-NZ 3.38Å
191A94.6Very high93.4Very high2 Ų235.8 Ų35.82%0.01721%0.205CC..EExtended strand (participates in β ladder)trans-124.3147.4174.700000111.6A175 V176 L178 F187 G189 I223 V224A175-A191 CarbonylContact C-O 3.59Å; A175-A191 WeakPolarHBondContact CA-O 3.28Å; V176-A191 PolarHBondContact N-O 2.93Å; V176-A191 PolarHBondContact O-N 2.74Å; L178-A191 HydrophobicContact CD1-CB 4.02Å; F187-A191 HydrophobicContact CE1-CB 4.17Å; F187-A191 HydrophobicContact CZ-CB 4.29Å; G189-A191 PolarHBondContact O-N 3.14Å; A191-I223 HydrophobicContact CB-CG2 3.81Å; A191-V224 CarbonylContact C-O 3.56Å; A191-V224 WeakPolarHBondContact CA-O 3.37Å
192L90.5Very high91.8Very high8 Ų833.2 Ų33.24%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-84.5-40.4176-62.9175.6000111.7M173 A175 V224 L232M173-L192 HydrophobicContact CB-CD2 3.99Å; M173-L192 HydrophobicContact CE-CB 3.82Å; A175-L192 HydrophobicContact CB-CD2 3.74Å; L192-V224 HydrophobicContact CD1-CG1 4.47Å; L192-V224 PolarHBondContact N-O 2.94Å; L192-L232 HydrophobicContact CD1-CD1 4.29Å; L192-L232 HydrophobicContact CD1-CD2 3.55Å; L192-L232 HydrophobicContact CD1-CG 4.31Å
193L89.5Confident89.4Confident35 Ų3536.2 Ų36.218%0.18322%0.223CC..EExtended strand (participates in β ladder)trans-153.5161.7174.667.181.3000111.3G139 M173 F195 V224G139-L193 CarbonylContact O-C 3.55Å; G139-L193 WeakPolarHBondContact O-CA 3.28Å; G139-L193 WeakPolarHBondContact O-CB 3.44Å; M173-L193 HydrophobicContact CE-CB 4.18Å; M173-L193 HydrophobicContact CE-CD2 3.8Å; M173-L193 HydrophobicContact CE-CG 4.33Å; L193-F195 HydrophobicContact CD1-CD1 4.2Å; L193-F195 HydrophobicContact CD1-CD2 3.86Å; L193-F195 HydrophobicContact CD1-CE1 3.98Å; L193-F195 HydrophobicContact CD1-CE2 3.63Å; L193-F195 HydrophobicContact CD1-CG 4.14Å; L193-F195 HydrophobicContact CD1-CZ 3.68Å; L193-F195 HydrophobicContact CD2-CE2 4.37Å; L193-F195 HydrophobicContact CD2-CZ 3.94Å; L193-F195 HydrophobicContact CG-CZ 4.41Å; L193-V224 HydrophobicContact CD1-CB 4.08Å; L193-V224 HydrophobicContact CD1-CG2 3.51Å; L193-V224 HydrophobicContact CD2-CG2 4.44Å; L193-V224 HydrophobicContact CG-CB 3.94Å; L193-V224 HydrophobicContact CG-CG2 3.83Å; L193-V224 PolarHBondContact O-N 2.71Å
194F93Very high87.2Confident0 Ų036.2 Ų36.20%024%0.241CC..EExtended strand (participates in β ladder)trans-133.9152163.365.5-94.9000110.7A138 G139 L178 I180 I222 I260 L266 L268 L278A138-F194 WeakPolarHBondContact CA-O 3.42Å; G139-F194 PolarHBondContact N-O 3.13Å; G139-F194 PolarHBondContact O-N 3.38Å; L178-F194 HydrophobicContact CD1-CD1 3.53Å; L178-F194 HydrophobicContact CD1-CE1 3.92Å; I180-F194 HydrophobicContact CD1-CB 4.21Å; I180-F194 HydrophobicContact CD1-CG 4.48Å; F194-I222 CarbonylContact C-O 3.37Å; F194-I222 WeakPolarHBondContact CA-O 3.43Å; F194-I222 WeakPolarHBondContact CB-O 3.41Å; F194-I260 HydrophobicContact CD2-CD1 3.62Å; F194-I260 HydrophobicContact CE1-CD1 4.3Å; F194-I260 HydrophobicContact CE1-CG2 4.02Å; F194-I260 HydrophobicContact CE2-CD1 3.36Å; F194-I260 HydrophobicContact CG-CD1 4.21Å; F194-I260 HydrophobicContact CZ-CD1 3.7Å; F194-I260 HydrophobicContact CZ-CG2 4.05Å; F194-L266 HydrophobicContact CE1-CD2 4.02Å; F194-L266 HydrophobicContact CZ-CD2 4.42Å; F194-L268 HydrophobicContact CE1-CD2 4.49Å; F194-L268 HydrophobicContact CE2-CD2 4.19Å; F194-L268 HydrophobicContact CZ-CD2 3.53Å; F194-L278 HydrophobicContact CZ-CD2 4.48Å
195F93Very high85.5Confident48 Ų4835 Ų3521%0.21121%0.213CC..EExtended strand (participates in β ladder)trans-129.7138.5174.7-64.7-35.3000110.3L136 A137 A138 L193 L208 L221 I222L136-F195 HydrophobicContact CD1-CB 3.59Å; L136-F195 HydrophobicContact CD1-CD1 4.05Å; L136-F195 HydrophobicContact CD1-CG 4.03Å; L136-F195 HydrophobicContact CD2-CD1 4.33Å; A137-F195 CarbonylContact O-C 3.48Å; A137-F195 WeakPolarHBondContact O-CA 3.45Å; A138-F195 HydrophobicContact CB-CD1 3.51Å; A138-F195 HydrophobicContact CB-CE1 3.66Å; L193-F195 HydrophobicContact CD1-CD1 4.2Å; L193-F195 HydrophobicContact CD1-CD2 3.86Å; L193-F195 HydrophobicContact CD1-CE1 3.98Å; L193-F195 HydrophobicContact CD1-CE2 3.63Å; L193-F195 HydrophobicContact CD1-CG 4.14Å; L193-F195 HydrophobicContact CD1-CZ 3.68Å; L193-F195 HydrophobicContact CD2-CE2 4.37Å; L193-F195 HydrophobicContact CD2-CZ 3.94Å; L193-F195 HydrophobicContact CG-CZ 4.41Å; F195-L208 HydrophobicContact CD2-CD1 4.33Å; F195-L221 WeakPolarHBondContact O-CA 3.24Å; F195-I222 HydrophobicContact CB-CB 4.17Å; F195-I222 HydrophobicContact CD2-CB 4.46Å; F195-I222 PolarHBondContact N-O 2.87Å; F195-I222 PolarHBondContact O-N 2.91Å
196L94.8Very high83.9Confident0 Ų039.1 Ų39.10%023%0.229CC..EExtended strand (participates in β ladder)trans-119.789.7169.4-54.5-173.8000108.1L136 A137 F219 T220 L221 I258 I260 F282L136-L196 WeakPolarHBondContact CA-O 3.32Å; A137-L196 HydrophobicContact CB-CB 4.27Å; A137-L196 PolarHBondContact N-O 3.1Å; A137-L196 PolarHBondContact O-N 3.28Å; L196-F219 HydrophobicContact CB-CD1 4.45Å; L196-F219 HydrophobicContact CB-CG 4.45Å; L196-T220 WeakPolarHBondContact CA-O 3.37Å; L196-L221 HydrophobicContact CD2-CB 4.19Å; L196-L221 HydrophobicContact CD2-CD1 3.42Å; L196-L221 VanDerWaalsContact CD2-CD1 3.42Å; L196-L221 HydrophobicContact CD2-CG 4.37Å; L196-I258 HydrophobicContact CD1-CD1 4.23Å; L196-I258 HydrophobicContact CD2-CD1 3.39Å; L196-I258 HydrophobicContact CD2-CG2 4.41Å; L196-I258 HydrophobicContact CG-CD1 4.4Å; L196-I260 HydrophobicContact CD1-CD1 4.25Å; L196-F282 HydrophobicContact CD1-CB 3.85Å; L196-F282 HydrophobicContact CD1-CD1 3.42Å; L196-F282 VanDerWaalsContact CD1-CD1 3.42Å; L196-F282 HydrophobicContact CD1-CD2 3.5Å; L196-F282 HydrophobicContact CD1-CE1 3.71Å; L196-F282 HydrophobicContact CD1-CE2 3.8Å; L196-F282 HydrophobicContact CD1-CG 3.3Å; L196-F282 HydrophobicContact CD1-CZ 3.9Å
197G92.8Very high82.7Confident1 Ų140.4 Ų40.41%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-88144.1-177.600000112.9F219 T220G197-F219 WeakPolarHBondContact O-CA 3.3Å; G197-T220 PolarHBondContact N-O 2.97Å; G197-T220 PolarHBondContact O-N 3.05Å
198L94.9Very high81.6Confident8 Ų839.8 Ų39.84%0.04223%0.227CC..SBendtrans-111.2-48.1167.3-70.2157.1000110D124 F133 N135 L214 F219D124-L198 HydrophobicContact CB-CD2 3.9Å; F133-L198 HydrophobicContact CD2-CD1 3.6Å; F133-L198 HydrophobicContact CE2-CD1 3.54Å; F133-L198 HydrophobicContact CE2-CG 4.15Å; F133-L198 HydrophobicContact CG-CD1 4.45Å; F133-L198 HydrophobicContact CZ-CD1 4.36Å; F133-L198 WeakPolarHBondContact O-CD1 3.39Å; N135-L198 PolarHBondContact O-N 3.06Å; L198-L214 WeakPolarHBondContact O-CD2 3.34Å; L198-F219 HydrophobicContact CD1-CE1 4.15Å; L198-F219 HydrophobicContact CD2-CD1 3.74Å; L198-F219 HydrophobicContact CD2-CE1 3.65Å; L198-F219 HydrophobicContact CG-CD1 3.92Å; L198-F219 HydrophobicContact CG-CE1 3.85Å
199T90.4Very high80.7Confident4 Ų435.3 Ų35.33%0.02521%0.206CC..SBendtrans-89.3151.717156.80000110.7F98 A101 N135 L214F98-T199 HydrophobicContact CD2-CG2 4.13Å; A101-T199 HydrophobicContact CB-CG2 3.85Å; N135-T199 PolarHBondContact O-N 3.3Å; N135-T199 WeakPolarHBondContact OD1-CG2 3.39Å; N135-T199 PolarHBondContact OD1-OG1 3.21Å; T199-L214 HydrophobicContact CG2-CD2 3.99Å
200N82.2Confident79.9Confident4 Ų438.7 Ų38.72%0.02123%0.225CC..SBendtrans-89.9-10.5-174.7-159.119.2000114K207 L208 V209 A212 E301N200-K207 CarbonylContact O-C 3.59Å; N200-K207 WeakPolarHBondContact O-CA 3.22Å; N200-L208 WeakPolarHBondContact O-CB 3.39Å; N200-L208 PolarHBondContact O-N 3.41Å; N200-L208 PolarHBondContact OD1-N 3.48Å; N200-V209 PolarHBondContact ND2-O 3.16Å; N200-V209 PolarHBondContact OD1-N 2.9Å; N200-V209 PolarHBondContact OD1-O 2.89Å; N200-V209 VanDerWaalsContact OD1-O 3.04Å; N200-A212 HydrophobicContact CB-CB 3.83Å; N200-E301 VanDerWaalsContact CB-OE1 3.24Å; N200-E301 WeakPolarHBondContact CB-OE1 3.13Å; N200-E301 WeakPolarHBondContact CB-OE2 3.49Å; N200-E301 PolarHBondContact ND2-OE1 2.92Å
201S67.5Low79.5Confident10 Ų1037.8 Ų37.87%0.0722%0.223CC..  trans-111.8102.5-174.7158.90000110.2R100R100-S201 PolarHBondContact NH1-OG 2.92Å
202M64.3Low79.3Confident17 Ų1737.9 Ų37.98%0.08422%0.224CC..BIsolated β-bridgetrans-149.4153.3-178.3-61.1-159.772.300113.9N135 L136 G204 F205N135-M202 VanDerWaalsContact C-SD 3.6Å; N135-M202 HydrophobicContact CB-CE 3.54Å; N135-M202 HydrophobicContact CB-SD 3.73Å; L136-M202 HydrophobicContact CB-CE 3.36Å; L136-M202 HydrophobicContact CB-SD 3.11Å; L136-M202 WeakPolarHBondContact CB-SD 3.46Å; L136-M202 HydrophobicContact CD2-CE 3.79Å; L136-M202 HydrophobicContact CD2-SD 3.84Å; L136-M202 HydrophobicContact CG-CE 4.21Å; L136-M202 HydrophobicContact CG-SD 4.03Å; M202-G204 PolarHBondContact O-N 3.06Å; M202-G204 VanDerWaalsContact O-N 3.09Å; M202-F205 PolarHBondContact N-O 2.97Å; M202-F205 WeakPolarHBondContact O-CB 3.48Å; M202-F205 WeakPolarHBondContact O-CD2 3.49Å; M202-F205 PolarHBondContact O-N 3.04Å
203A49.2Very low79.6Confident87 Ų8740.2 Ų40.272%0.71923%0.234SC*.THydrogen-bonded Turntrans55.626.417300000115.5
204G51.3Low79.9Confident77 Ų7739 Ų3979%0.79423%0.227SC*.THydrogen-bonded Turntrans89.30.3-177.500000114.6M202M202-G204 PolarHBondContact O-N 3.06Å; M202-G204 VanDerWaalsContact O-N 3.09Å
205F62Low80.2Confident54 Ų5439.2 Ų39.224%0.23723%0.228CC..BIsolated β-bridgetrans-84.9128.9165.7-61.2-71.4000109.7M202 K207 A239M202-F205 PolarHBondContact N-O 2.97Å; M202-F205 WeakPolarHBondContact O-CB 3.48Å; M202-F205 WeakPolarHBondContact O-CD2 3.49Å; M202-F205 PolarHBondContact O-N 3.04Å; F205-K207 VanDerWaalsContact C-N 3.32Å; F205-A239 HydrophobicContact CE1-CB 3.69Å; F205-A239 HydrophobicContact CZ-CB 3.94Å
206E64.6Low80.4Confident175 Ų17537.9 Ų37.982%0.81822%0.224SC*.SBendtrans-68.6-34169.5-71.1-175.916900111.5
207K73.1Confident80.6Confident96 Ų9637.9 Ų37.942%0.41722%0.224SC..  trans-136.4118.5172.8-65.8-170.3174.9-169.30109.7N200 F205 E300N200-K207 CarbonylContact O-C 3.59Å; N200-K207 WeakPolarHBondContact O-CA 3.22Å; F205-K207 VanDerWaalsContact C-N 3.32Å; K207-E300 IonicContact NZ-OE2 2.68Å
208L75.2Confident80.8Confident7 Ų741.9 Ų41.94%0.03724%0.239CC..SBendtrans-70.8-44.1173.6179.264.6000109.6F195 N200 T220 H244F195-L208 HydrophobicContact CD2-CD1 4.33Å; N200-L208 WeakPolarHBondContact O-CB 3.39Å; N200-L208 PolarHBondContact O-N 3.41Å; N200-L208 PolarHBondContact OD1-N 3.48Å; L208-T220 HydrophobicContact CD2-CG2 4.04Å; L208-T220 HydrophobicContact CG-CG2 4.47Å; L208-H244 PolarHBondContact O-CE1 2.96Å; L208-H244 PolarHBondContact O-NE2 3.02Å
209V80.2Confident80.9Confident2 Ų241.6 Ų41.61%0.01224%0.237CC..SBendtrans-136.5158171.5-65.30000110.7N200 D211 A212 T220 I222 T245 Y252N200-V209 PolarHBondContact ND2-O 3.16Å; N200-V209 PolarHBondContact OD1-N 2.9Å; N200-V209 PolarHBondContact OD1-O 2.89Å; N200-V209 VanDerWaalsContact OD1-O 3.04Å; V209-D211 PolarHBondContact O-N 2.92Å; V209-A212 HydrophobicContact CG2-CB 3.54Å; V209-T220 HydrophobicContact CB-CG2 4.22Å; V209-T220 HydrophobicContact CG1-CG2 3.56Å; V209-T220 HydrophobicContact CG2-CG2 3.56Å; V209-I222 HydrophobicContact CG1-CD1 3.8Å; V209-I222 HydrophobicContact CG1-CG1 4.45Å; V209-T245 HydrophobicContact CG1-CG2 3.95Å; V209-Y252 HydrophobicContact CB-CE1 4.3Å; V209-Y252 HydrophobicContact CB-CE2 4.3Å; V209-Y252 HydrophobicContact CG1-CD1 4.42Å; V209-Y252 HydrophobicContact CG1-CD2 3.91Å; V209-Y252 HydrophobicContact CG1-CE1 4.34Å; V209-Y252 HydrophobicContact CG1-CE2 3.88Å; V209-Y252 HydrophobicContact CG1-CG 4.21Å; V209-Y252 HydrophobicContact CG2-CE2 4.19Å
210P79.8Confident81.2Confident88 Ų8841.7 Ų41.757%0.57124%0.238SC*.THydrogen-bonded Turntrans-64.2-25-176.6-23.835.4000114.7
211D87.5Confident81.9Confident71 Ų7141.5 Ų41.538%0.3824%0.237SC..THydrogen-bonded Turntrans-134.623.1-163.469.5-37.8000114.1V209 Y252 K254V209-D211 PolarHBondContact O-N 2.92Å; D211-Y252 VanDerWaalsContact CG-OH 3.3Å; D211-Y252 VanDerWaalsContact OD1-CE1 3.3Å; D211-Y252 WeakPolarHBondContact OD1-CE1 3.36Å; D211-Y252 PolarHBondContact OD1-OH 3.03Å; D211-Y252 PolarHBondContact OD2-OH 2.81Å; D211-K254 PolarHBondContact O-NZ 3.32Å; D211-K254 IonicContact OD2-NZ 3.46Å
212A90.3Very high83.1Confident3 Ų341.1 Ų41.13%0.02523%0.234CC..  trans-61144172.300000110.3N200 V209N200-A212 HydrophobicContact CB-CB 3.83Å; V209-A212 HydrophobicContact CG2-CB 3.54Å
213K95.8Very high84.6Confident58 Ų5840.3 Ų40.325%0.25223%0.23SC..  trans-130.1146.5173.5-57.2-67.2176175.70109.1D215 D216 E300 E301 I303K213-D215 VanDerWaalsContact C-N 3.34Å; K213-D216 HydrophobicContact CB-CB 3.71Å; K213-D216 HydrophobicContact CG-CB 4.24Å; K213-E300 PolarHBondContact NZ-O 3.26Å; K213-E301 CarbonylContact C-O 3.55Å; K213-E301 WeakPolarHBondContact CA-O 3.4Å; K213-I303 HydrophobicContact CB-CG1 4.29Å; K213-I303 HydrophobicContact CD-CG1 4.11Å; K213-I303 HydrophobicContact CG-CD1 4.34Å; K213-I303 HydrophobicContact CG-CG1 3.95Å
214L96.5Very high86.7Confident8 Ų837 Ų374%0.04220%0.2CC..SBendtrans-84.8-11.2-179-51.4176.2000112.3A101 L102 V123 D124 L198 T199 E301 L302A101-L214 HydrophobicContact CB-CD1 4.02Å; A101-L214 HydrophobicContact CB-CD2 4.18Å; A101-L214 WeakPolarHBondContact O-CD1 3.35Å; L102-L214 HydrophobicContact CD2-CD1 3.98Å; L102-L214 HydrophobicContact CG-CD1 4.47Å; V123-L214 WeakPolarHBondContact CA-O 3.21Å; V123-L214 HydrophobicContact CG1-CB 4.26Å; D124-L214 WeakPolarHBondContact CB-O 3.19Å; D124-L214 PolarHBondContact N-O 3.27Å; L198-L214 WeakPolarHBondContact O-CD2 3.34Å; T199-L214 HydrophobicContact CG2-CD2 3.99Å; L214-E301 HydrophobicContact CD1-CB 4.1Å; L214-E301 HydrophobicContact CD2-CB 4.45Å; L214-E301 HydrophobicContact CG-CB 3.85Å; L214-E301 PolarHBondContact N-O 2.71Å; L214-L302 HydrophobicContact CB-CD2 3.88Å; L214-L302 HydrophobicContact CD1-CD2 4.37Å
215D98.2Very high88.8Confident6 Ų635.7 Ų35.73%0.03217%0.174CC..SBendtrans-140.119.9-167.472.6-28.6000113.8K122 D124 K213 R287 L302 I303 N304K122-D215 WeakPolarHBondContact O-CB 3.14Å; D124-D215 WeakPolarHBondContact OD1-CA 3.5Å; K213-D215 VanDerWaalsContact C-N 3.34Å; D215-R287 HydrophobicContact CB-CG 3.97Å; D215-L302 HydrophobicContact CB-CD2 3.77Å; D215-L302 WeakPolarHBondContact OD1-CA 3.36Å; D215-I303 PolarHBondContact OD1-N 3.49Å; D215-I303 PolarHBondContact OD2-N 3.44Å; D215-N304 WeakPolarHBondContact OD2-CB 3.46Å; D215-N304 PolarHBondContact OD2-N 2.67Å
216D98Very high90.4Very high20 Ų2037.7 Ų37.711%0.10718%0.183CC..SBendtrans-93.2-4.9-177.175.5-4.2000114.5K213 Y218 K254 I303K213-D216 HydrophobicContact CB-CB 3.71Å; K213-D216 HydrophobicContact CG-CB 4.24Å; D216-Y218 VanDerWaalsContact C-N 3.34Å; D216-Y218 HydrophobicContact CB-CD2 4.31Å; D216-Y218 WeakPolarHBondContact O-CD2 3.42Å; D216-Y218 WeakPolarHBondContact OD1-CB 3.44Å; D216-Y218 PolarHBondContact OD1-N 3.5Å; D216-K254 IonicContact OD2-NZ 3.38Å; D216-K254 PolarHBondContact OD2-NZ 3.47Å; D216-I303 HydrophobicContact CB-CD1 3.4Å; D216-I303 VanDerWaalsContact CB-CD1 3.4Å; D216-I303 HydrophobicContact CB-CG1 4.3Å
217G98.2Very high91.6Very high0 Ų030 Ų300%015%0.148CC..SBendtrans78.912.2-178.600000114.2D124 K256 N284D124-G217 WeakPolarHBondContact OD2-CA 3.43Å; D124-G217 PolarHBondContact OD2-N 3.07Å; G217-K256 WeakPolarHBondContact O-CD 3.13Å; G217-K256 WeakPolarHBondContact O-CE 3.29Å; G217-K256 WeakPolarHBondContact O-CG 3.4Å; G217-N284 VanDerWaalsContact C-CG 3.45Å
218Y98.4Very high92.4Very high85 Ų8529.7 Ų29.733%0.33315%0.151SC..  trans-117.6143.4-179.5-65.5-83.2000112.4D216 K254 K256 N284D216-Y218 VanDerWaalsContact C-N 3.34Å; D216-Y218 HydrophobicContact CB-CD2 4.31Å; D216-Y218 WeakPolarHBondContact O-CD2 3.42Å; D216-Y218 WeakPolarHBondContact OD1-CB 3.44Å; D216-Y218 PolarHBondContact OD1-N 3.5Å; Y218-K254 HydrophobicContact CD1-CB 3.86Å; Y218-K254 HydrophobicContact CG-CB 3.88Å; Y218-K254 HydrophobicContact CG-CD 4.41Å; Y218-K256 HydrophobicContact CD1-CG 3.64Å; Y218-K256 HydrophobicContact CE1-CD 4.28Å; Y218-K256 HydrophobicContact CE1-CG 3.59Å; Y218-K256 HydrophobicContact CG-CG 4.39Å; Y218-K256 VanDerWaalsContact CZ-CE 3.48Å; Y218-N284 PolarHBondContact N-ND2 2.7Å; Y218-N284 PolarHBondContact O-ND2 3.4Å; Y218-N284 VanDerWaalsContact O-ND2 3.12Å
219F97.4Very high92.9Very high1 Ų134.9 Ų34.90%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-76.1144.9157.1-65.3-63.7000110F133 L196 G197 L198 L221 K254 A255 I258 F282 L283 N284F133-F219 HydrophobicContact CE1-CE1 4.21Å; F133-F219 HydrophobicContact CE1-CZ 4.2Å; F133-F219 HydrophobicContact CE2-CD1 4.43Å; F133-F219 AromaticContact CE2-CE1 3.8Å; F133-F219 HydrophobicContact CE2-CE1 3.8Å; F133-F219 HydrophobicContact CZ-CD1 4.18Å; F133-F219 AromaticContact CZ-CE1 3.32Å; F133-F219 HydrophobicContact CZ-CE1 3.32Å; F133-F219 AromaticContact CZ-CZ 3.68Å; F133-F219 HydrophobicContact CZ-CZ 3.68Å; L196-F219 HydrophobicContact CB-CD1 4.45Å; L196-F219 HydrophobicContact CB-CG 4.45Å; G197-F219 WeakPolarHBondContact O-CA 3.3Å; L198-F219 HydrophobicContact CD1-CE1 4.15Å; L198-F219 HydrophobicContact CD2-CD1 3.74Å; L198-F219 HydrophobicContact CD2-CE1 3.65Å; L198-F219 HydrophobicContact CG-CD1 3.92Å; L198-F219 HydrophobicContact CG-CE1 3.85Å; F219-L221 PolarHBondContact O-N 2.89Å; F219-K254 WeakPolarHBondContact O-CA 3.28Å; F219-A255 PolarHBondContact N-O 3.43Å; F219-A255 PolarHBondContact O-N 3.42Å; F219-I258 HydrophobicContact CB-CD1 4.07Å; F219-I258 HydrophobicContact CD2-CD1 3.88Å; F219-I258 HydrophobicContact CD2-CG1 4.44Å; F219-I258 HydrophobicContact CG-CD1 4.38Å; F219-F282 HydrophobicContact CE2-CB 3.95Å; F219-F282 HydrophobicContact CZ-CB 4.43Å; F219-L283 VanDerWaalsContact CE2-C 3.45Å; F219-N284 HydrophobicContact CD1-CB 4.5Å; F219-N284 HydrophobicContact CD2-CB 4Å; F219-N284 HydrophobicContact CE1-CB 4.28Å; F219-N284 HydrophobicContact CE2-CB 3.79Å; F219-N284 HydrophobicContact CG-CB 4.37Å; F219-N284 HydrophobicContact CZ-CB 3.94Å
220T95.6Very high93.4Very high6 Ų638.4 Ų38.44%0.03721%0.208CC..EExtended strand (participates in β ladder)trans-75.6100157.7-67.10000108.3L196 G197 L208 V209 I222 Y252L196-T220 WeakPolarHBondContact CA-O 3.37Å; G197-T220 PolarHBondContact N-O 2.97Å; G197-T220 PolarHBondContact O-N 3.05Å; L208-T220 HydrophobicContact CD2-CG2 4.04Å; L208-T220 HydrophobicContact CG-CG2 4.47Å; V209-T220 HydrophobicContact CB-CG2 4.22Å; V209-T220 HydrophobicContact CG1-CG2 3.56Å; V209-T220 HydrophobicContact CG2-CG2 3.56Å; T220-I222 HydrophobicContact CG2-CD1 4.5Å; T220-I222 HydrophobicContact CG2-CG1 4.22Å; T220-Y252 HydrophobicContact CG2-CD2 4.24Å; T220-Y252 HydrophobicContact CG2-CE2 3.84Å
221L96.1Very high94Very high0 Ų036.7 Ų36.70%019%0.192CC..EExtended strand (participates in β ladder)trans-89116.2175.6168.861.8000109.4I180 Y182 F195 L196 F219 I223 Y252 E253 I258I180-L221 HydrophobicContact CG2-CD1 4.43Å; I180-L221 HydrophobicContact CG2-CD2 4.32Å; Y182-L221 HydrophobicContact CD1-CD2 3.93Å; Y182-L221 HydrophobicContact CD2-CD2 4.05Å; Y182-L221 HydrophobicContact CE1-CD2 4.44Å; Y182-L221 HydrophobicContact CG-CD2 3.71Å; F195-L221 WeakPolarHBondContact O-CA 3.24Å; L196-L221 HydrophobicContact CD2-CB 4.19Å; L196-L221 HydrophobicContact CD2-CD1 3.42Å; L196-L221 VanDerWaalsContact CD2-CD1 3.42Å; L196-L221 HydrophobicContact CD2-CG 4.37Å; F219-L221 PolarHBondContact O-N 2.89Å; L221-I223 HydrophobicContact CD1-CD1 4.28Å; L221-I223 HydrophobicContact CD1-CG1 3.82Å; L221-I223 HydrophobicContact CD2-CD1 4.34Å; L221-I223 HydrophobicContact CG-CD1 4.42Å; L221-I223 HydrophobicContact CG-CG1 4.21Å; L221-Y252 WeakPolarHBondContact O-CA 3.42Å; L221-E253 WeakPolarHBondContact CA-O 3.15Å; L221-E253 HydrophobicContact CB-CB 4.42Å; L221-E253 WeakPolarHBondContact CB-O 3.5Å; L221-E253 HydrophobicContact CD2-CB 4.27Å; L221-E253 PolarHBondContact N-O 3.11Å; L221-E253 PolarHBondContact O-N 3.32Å; L221-I258 HydrophobicContact CB-CD1 4.15Å; L221-I258 HydrophobicContact CD2-CD1 4.32Å
222I93.9Very high94Very high3 Ų333.8 Ų33.82%0.01518%0.176CC..EExtended strand (participates in β ladder)trans-112.7132168.7-58.5-67000109.2F194 F195 V209 T220 V224 T245 V250 I251 Y252F194-I222 CarbonylContact C-O 3.37Å; F194-I222 WeakPolarHBondContact CA-O 3.43Å; F194-I222 WeakPolarHBondContact CB-O 3.41Å; F195-I222 HydrophobicContact CB-CB 4.17Å; F195-I222 HydrophobicContact CD2-CB 4.46Å; F195-I222 PolarHBondContact N-O 2.87Å; F195-I222 PolarHBondContact O-N 2.91Å; V209-I222 HydrophobicContact CG1-CD1 3.8Å; V209-I222 HydrophobicContact CG1-CG1 4.45Å; T220-I222 HydrophobicContact CG2-CD1 4.5Å; T220-I222 HydrophobicContact CG2-CG1 4.22Å; I222-V224 HydrophobicContact CG2-CG2 4.2Å; I222-T245 HydrophobicContact CD1-CG2 4.13Å; I222-V250 HydrophobicContact CG2-CG1 3.94Å; I222-I251 CarbonylContact C-O 3.56Å; I222-I251 VanDerWaalsContact CA-O 3.29Å; I222-I251 WeakPolarHBondContact CA-O 3.43Å; I222-Y252 HydrophobicContact CD1-CD2 3.67Å; I222-Y252 HydrophobicContact CD1-CG 3.91Å
223I95Very high93.8Very high0 Ų034.6 Ų34.60%019%0.185CC..EExtended strand (participates in β ladder)trans-123.6118.8170.3-49.1166.7000107.5I180 F187 A191 L221 V250 I251I180-I223 HydrophobicContact CB-CD1 4.44Å; I180-I223 HydrophobicContact CD1-CD1 3.69Å; I180-I223 HydrophobicContact CD1-CG1 3.8Å; I180-I223 HydrophobicContact CD1-CG2 4.23Å; I180-I223 HydrophobicContact CG2-CD1 4.35Å; F187-I223 HydrophobicContact CB-CD1 3.87Å; F187-I223 HydrophobicContact CD1-CD1 4.16Å; F187-I223 HydrophobicContact CD1-CG2 4.31Å; F187-I223 HydrophobicContact CD2-CD1 4.26Å; F187-I223 HydrophobicContact CE1-CG2 3.99Å; F187-I223 HydrophobicContact CE2-CG2 4.31Å; F187-I223 HydrophobicContact CG-CD1 3.83Å; F187-I223 HydrophobicContact CZ-CG2 3.99Å; A191-I223 HydrophobicContact CB-CG2 3.81Å; L221-I223 HydrophobicContact CD1-CD1 4.28Å; L221-I223 HydrophobicContact CD1-CG1 3.82Å; L221-I223 HydrophobicContact CD2-CD1 4.34Å; L221-I223 HydrophobicContact CG-CD1 4.42Å; L221-I223 HydrophobicContact CG-CG1 4.21Å; I223-V250 WeakPolarHBondContact O-CA 3.28Å; I223-I251 HydrophobicContact CB-CB 4.15Å; I223-I251 HydrophobicContact CD1-CG2 4.46Å; I223-I251 PolarHBondContact N-O 2.89Å; I223-I251 PolarHBondContact O-N 2.77Å
224V93.5Very high93.6Very high16 Ų1636.4 Ų36.410%0.09719%0.194CC..EExtended strand (participates in β ladder)trans-95.9104.9171.9-175.80000107.7A191 L192 L193 I222 I235 K249 V250A191-V224 CarbonylContact C-O 3.56Å; A191-V224 WeakPolarHBondContact CA-O 3.37Å; L192-V224 HydrophobicContact CD1-CG1 4.47Å; L192-V224 PolarHBondContact N-O 2.94Å; L193-V224 HydrophobicContact CD1-CB 4.08Å; L193-V224 HydrophobicContact CD1-CG2 3.51Å; L193-V224 HydrophobicContact CD2-CG2 4.44Å; L193-V224 HydrophobicContact CG-CB 3.94Å; L193-V224 HydrophobicContact CG-CG2 3.83Å; L193-V224 PolarHBondContact O-N 2.71Å; I222-V224 HydrophobicContact CG2-CG2 4.2Å; V224-I235 HydrophobicContact CG1-CD1 4Å; V224-K249 WeakPolarHBondContact CA-O 3.49Å; V224-V250 HydrophobicContact CG2-CG2 4.41Å
225E96Very high93.3Very high50 Ų5036.8 Ų36.823%0.23420%0.196CC..EExtended strand (participates in β ladder)trans-63.1162.4178.5-71.6-175.5-99.300112.1F187 S227 K249 I251F187-E225 HydrophobicContact CE2-CG 3.86Å; F187-E225 HydrophobicContact CZ-CG 4.15Å; E225-S227 PolarHBondContact O-N 3.19Å; E225-S227 VanDerWaalsContact O-N 3.11Å; E225-S227 PolarHBondContact O-OG 2.84Å; E225-K249 HydrophobicContact CB-CB 4.29Å; E225-K249 HydrophobicContact CB-CD 3.84Å; E225-K249 PolarHBondContact N-O 3.4Å; E225-I251 HydrophobicContact CG-CD1 4.16Å
226K94.3Very high92.5Very high97 Ų9738.4 Ų38.442%0.42220%0.204SC..  trans-48.7122.5168.4-179.8173.1178.1172.90110.9A175 E190 K249A175-K226 HydrophobicContact CB-CB 3.81Å; A175-K226 HydrophobicContact CB-CD 3.95Å; A175-K226 HydrophobicContact CB-CG 3.83Å; E190-K226 HydrophobicContact CB-CB 3.85Å; E190-K226 HydrophobicContact CB-CD 3.92Å; E190-K226 VanDerWaalsContact CD-CD 3.45Å; E190-K226 HydrophobicContact CG-CD 4.34Å; E190-K226 PolarHBondContact O-N 2.93Å; E190-K226 IonicContact OE1-NZ 2.69Å; E190-K226 PolarHBondContact OE1-NZ 3.1Å; E190-K226 WeakPolarHBondContact OE2-CD 3.08Å; E190-K226 IonicContact OE2-NZ 2.69Å; E190-K226 PolarHBondContact OE2-NZ 3.38Å; K226-K249 PolarHBondContact O-NZ 2.81Å
227S91.5Very high91.9Very high14 Ų1440.8 Ų40.810%0.09822%0.219CC..  trans-133.6139.5-173.1-64.30000109.7E225 E231 K249E225-S227 PolarHBondContact O-N 3.19Å; E225-S227 VanDerWaalsContact O-N 3.11Å; E225-S227 PolarHBondContact O-OG 2.84Å; S227-E231 VanDerWaalsContact CA-OE2 3.29Å; S227-E231 WeakPolarHBondContact CA-OE2 3.27Å; S227-K249 WeakPolarHBondContact OG-CB 3.22Å
228N89.8Confident91.5Very high88 Ų8841.9 Ų41.947%0.47123%0.225SC..  trans-75.1171169.271.758000110.8A230 E231 L232N228-A230 VanDerWaalsContact C-N 3.27Å; N228-A230 PolarHBondContact O-N 2.91Å; N228-A230 WeakPolarHBondContact OD1-CA 3.42Å; N228-A230 WeakPolarHBondContact OD1-CB 3.4Å; N228-A230 PolarHBondContact OD1-N 3.25Å; N228-E231 VanDerWaalsContact CG-OE2 3.27Å; N228-E231 PolarHBondContact N-OE2 2.93Å; N228-E231 VanDerWaalsContact ND2-CD 3.26Å; N228-E231 PolarHBondContact ND2-OE2 2.99Å; N228-E231 PolarHBondContact O-N 3.36Å; N228-E231 PolarHBondContact OD1-N 3.28Å; N228-L232 WeakPolarHBondContact O-CG 3.41Å; N228-L232 PolarHBondContact O-N 2.82Å
229L85.8Confident90.7Very high117 Ų11738.1 Ų38.161%0.61321%0.212SC*.Hα-helixtrans-60.1-32.5-175.9-68.5174.4000113.9P171 G233P171-L229 HydrophobicContact CG-CD2 4.49Å; L229-G233 PolarHBondContact O-N 2.62Å
230A90.1Very high89.8Confident76 Ų7641 Ų4163%0.62823%0.232SC*.Hα-helixtrans-72.2-42.5177.300000111.4N228 L232 G233 H234N228-A230 VanDerWaalsContact C-N 3.27Å; N228-A230 PolarHBondContact O-N 2.91Å; N228-A230 WeakPolarHBondContact OD1-CA 3.42Å; N228-A230 WeakPolarHBondContact OD1-CB 3.4Å; N228-A230 PolarHBondContact OD1-N 3.25Å; A230-L232 VanDerWaalsContact C-N 3.34Å; A230-G233 PolarHBondContact O-N 2.87Å; A230-H234 WeakPolarHBondContact O-CB 3.45Å; A230-H234 PolarHBondContact O-N 2.87Å
231E93.1Very high89Confident52 Ų5249.5 Ų49.524%0.24326%0.263CS..Hα-helixtrans-61-43173.3-70.4169.7140.100110.9S227 N228 H234 I235 K249S227-E231 VanDerWaalsContact CA-OE2 3.29Å; S227-E231 WeakPolarHBondContact CA-OE2 3.27Å; N228-E231 VanDerWaalsContact CG-OE2 3.27Å; N228-E231 PolarHBondContact N-OE2 2.93Å; N228-E231 VanDerWaalsContact ND2-CD 3.26Å; N228-E231 PolarHBondContact ND2-OE2 2.99Å; N228-E231 PolarHBondContact O-N 3.36Å; N228-E231 PolarHBondContact OD1-N 3.28Å; E231-H234 WeakPolarHBondContact O-CB 3.5Å; E231-H234 PolarHBondContact O-N 2.88Å; E231-I235 VanDerWaalsContact O-CG1 3.3Å; E231-I235 WeakPolarHBondContact O-CG1 3.3Å; E231-I235 PolarHBondContact O-N 2.94Å; E231-K249 WeakPolarHBondContact OE1-CE 3.26Å
232L86.7Confident88.2Confident10 Ų1051 Ų515%0.05228%0.278CS..Hα-helixtrans-62.3-44.7175.8-73.8175.6000112.7L170 L192 N228 A230 H234 I235 M236L170-L232 HydrophobicContact CB-CD1 4.17Å; L170-L232 HydrophobicContact CD1-CB 4.06Å; L170-L232 HydrophobicContact CD2-CB 4.13Å; L170-L232 HydrophobicContact CD2-CD1 4.21Å; L170-L232 HydrophobicContact CD2-CD2 4.15Å; L170-L232 HydrophobicContact CD2-CG 4.4Å; L192-L232 HydrophobicContact CD1-CD1 4.29Å; L192-L232 HydrophobicContact CD1-CD2 3.55Å; L192-L232 HydrophobicContact CD1-CG 4.31Å; N228-L232 WeakPolarHBondContact O-CG 3.41Å; N228-L232 PolarHBondContact O-N 2.82Å; A230-L232 VanDerWaalsContact C-N 3.34Å; L232-H234 VanDerWaalsContact C-N 3.26Å; L232-H234 PolarHBondContact O-N 3.02Å; L232-I235 HydrophobicContact CD2-CD1 4.39Å; L232-I235 PolarHBondContact O-N 3.14Å; L232-M236 WeakPolarHBondContact O-CG 3.27Å; L232-M236 PolarHBondContact O-N 3.09Å
233G85.7Confident87.9Confident20 Ų2053.9 Ų53.921%0.20629%0.292CS..Hα-helixtrans-60.8-37.1174.200000112.6L229 A230 T237L229-G233 PolarHBondContact O-N 2.62Å; A230-G233 PolarHBondContact O-N 2.87Å; G233-T237 WeakPolarHBondContact O-CB 3.42Å; G233-T237 PolarHBondContact O-N 3.38Å; G233-T237 PolarHBondContact O-OG1 2.83Å
234H91.7Very high87.6Confident95 Ų9554.5 Ų54.544%0.4430%0.295SS..Hα-helixtrans-68.6-45.5176.1-170.8-162.3000112A230 E231 L232 M236 T237 L238 H247A230-H234 WeakPolarHBondContact O-CB 3.45Å; A230-H234 PolarHBondContact O-N 2.87Å; E231-H234 WeakPolarHBondContact O-CB 3.5Å; E231-H234 PolarHBondContact O-N 2.88Å; L232-H234 VanDerWaalsContact C-N 3.26Å; L232-H234 PolarHBondContact O-N 3.02Å; H234-M236 VanDerWaalsContact C-N 3.33Å; H234-M236 PolarHBondContact O-N 3.44Å; H234-T237 WeakPolarHBondContact O-CB 3.2Å; H234-T237 PolarHBondContact O-N 3.31Å; H234-T237 VanDerWaalsContact O-N 3.17Å; H234-L238 WeakPolarHBondContact O-CG 3.34Å; H234-L238 PolarHBondContact O-N 2.87Å; H234-H247 AromaticContact CE1-CD2 3.8Å; H234-H247 AromaticContact CG-CD2 3.68Å; H234-H247 AromaticContact CG-NE2 3.86Å; H234-H247 AromaticContact ND1-CD2 3.23Å; H234-H247 PolarHBondContact ND1-CD2 2.84Å; H234-H247 AromaticContact ND1-NE2 3.31Å; H234-H247 PolarHBondContact ND1-NE2 2.92Å
235I89.6Confident87.5Confident16 Ų1655.5 Ų55.58%0.08230%0.301CS..Hα-helixtrans-55.7-48.7173.9-69.4161.7000110.3V224 E231 L232 T237 L238 A239 H247 K249 V250V224-I235 HydrophobicContact CG1-CD1 4Å; E231-I235 VanDerWaalsContact O-CG1 3.3Å; E231-I235 WeakPolarHBondContact O-CG1 3.3Å; E231-I235 PolarHBondContact O-N 2.94Å; L232-I235 HydrophobicContact CD2-CD1 4.39Å; L232-I235 PolarHBondContact O-N 3.14Å; I235-T237 VanDerWaalsContact C-N 3.31Å; I235-T237 PolarHBondContact O-N 2.87Å; I235-L238 PolarHBondContact O-N 2.95Å; I235-A239 VanDerWaalsContact O-CB 3.28Å; I235-A239 WeakPolarHBondContact O-CB 3.44Å; I235-A239 PolarHBondContact O-N 3.29Å; I235-H247 HydrophobicContact CG1-CB 4Å; I235-H247 VanDerWaalsContact CG1-CG 3.48Å; I235-H247 WeakPolarHBondContact CG1-ND1 3.27Å; I235-K249 HydrophobicContact CD1-CB 4.22Å; I235-V250 HydrophobicContact CD1-CG2 4.16Å; I235-V250 HydrophobicContact CG1-CG2 3.96Å; I235-V250 HydrophobicContact CG2-CG2 4.06Å
236M82.1Confident87.3Confident41 Ų4160 Ų6020%0.20232%0.32CS..Hα-helixtrans-62.8-37.8178.9-69.3-58-64.900112.5F167 L170 L232 H234 A239 S240F167-M236 HydrophobicContact CE1-CB 4.01Å; F167-M236 HydrophobicContact CE1-CG 4.23Å; F167-M236 HydrophobicContact CE2-CB 4.31Å; F167-M236 HydrophobicContact CZ-CB 3.62Å; F167-M236 HydrophobicContact CZ-CG 4.22Å; L170-M236 HydrophobicContact CD1-CG 4.34Å; L170-M236 HydrophobicContact CD2-CG 4.4Å; L232-M236 WeakPolarHBondContact O-CG 3.27Å; L232-M236 PolarHBondContact O-N 3.09Å; H234-M236 VanDerWaalsContact C-N 3.33Å; H234-M236 PolarHBondContact O-N 3.44Å; M236-A239 PolarHBondContact O-N 3.47Å; M236-S240 PolarHBondContact O-N 3.16Å
237T85.9Confident87.4Confident69 Ų6955.8 Ų55.842%0.42330%0.301SS..Hα-helixtrans-63.1-46.3175.8-59.20000111G233 H234 I235 S240G233-T237 WeakPolarHBondContact O-CB 3.42Å; G233-T237 PolarHBondContact O-N 3.38Å; G233-T237 PolarHBondContact O-OG1 2.83Å; H234-T237 WeakPolarHBondContact O-CB 3.2Å; H234-T237 PolarHBondContact O-N 3.31Å; H234-T237 VanDerWaalsContact O-N 3.17Å; I235-T237 VanDerWaalsContact C-N 3.31Å; I235-T237 PolarHBondContact O-N 2.87Å; T237-S240 PolarHBondContact O-N 3.08Å; T237-S240 PolarHBondContact O-OG 2.95Å
238L88.8Confident87.6Confident23 Ų2360.2 Ų60.212%0.1233%0.33CS..Hα-helixtrans-65.6-40.3175.7-68.5171.4000111.6H234 I235 S240 R241 G242 E243 H244 H247H234-L238 WeakPolarHBondContact O-CG 3.34Å; H234-L238 PolarHBondContact O-N 2.87Å; I235-L238 PolarHBondContact O-N 2.95Å; L238-S240 VanDerWaalsContact C-N 3.3Å; L238-S240 PolarHBondContact O-N 2.82Å; L238-R241 CarbonylContact O-C 3.57Å; L238-R241 PolarHBondContact O-N 3.39Å; L238-G242 PolarHBondContact O-N 2.74Å; L238-E243 HydrophobicContact CB-CB 4.25Å; L238-E243 HydrophobicContact CD2-CB 4.03Å; L238-E243 PolarHBondContact O-N 3.21Å; L238-H244 HydrophobicContact CB-CB 4.42Å; L238-H247 HydrophobicContact CD1-CB 3.74Å
239A82.4Confident87.9Confident7 Ų758.6 Ų58.66%0.05832%0.319CS..Hα-helixtrans-60.8-38.5178.500000112.2F205 I235 M236 R241 G242 H244F205-A239 HydrophobicContact CE1-CB 3.69Å; F205-A239 HydrophobicContact CZ-CB 3.94Å; I235-A239 VanDerWaalsContact O-CB 3.28Å; I235-A239 WeakPolarHBondContact O-CB 3.44Å; I235-A239 PolarHBondContact O-N 3.29Å; M236-A239 PolarHBondContact O-N 3.47Å; A239-R241 PolarHBondContact O-N 2.91Å; A239-G242 PolarHBondContact O-N 3.44Å; A239-H244 HydrophobicContact CB-CB 3.83Å
240S77.8Confident88.4Confident61 Ų6153.5 Ų53.543%0.42729%0.292SS..THydrogen-bonded Turntrans-60.5-14175.876.70000114.6M236 T237 L238M236-S240 PolarHBondContact O-N 3.16Å; T237-S240 PolarHBondContact O-N 3.08Å; T237-S240 PolarHBondContact O-OG 2.95Å; L238-S240 VanDerWaalsContact C-N 3.3Å; L238-S240 PolarHBondContact O-N 2.82Å
241R79.6Confident88.7Confident185 Ų18551.7 Ų51.770%0.69827%0.272SS*.THydrogen-bonded Turntrans-118.28.3178-56.5-179.7-174175.70.6113.1L238 A239 E243L238-R241 CarbonylContact O-C 3.57Å; L238-R241 PolarHBondContact O-N 3.39Å; A239-R241 PolarHBondContact O-N 2.91Å; R241-E243 VanDerWaalsContact C-N 3.29Å; R241-E243 HydrophobicContact CB-CG 4.18Å; R241-E243 PolarHBondContact O-N 3.32Å
242G79.2Confident88.8Confident31 Ų3151.6 Ų51.632%0.3227%0.269SS..THydrogen-bonded Turntrans70.819.7-175.600000114.4L238 A239L238-G242 PolarHBondContact O-N 2.74Å; A239-G242 PolarHBondContact O-N 3.44Å
243E87.8Confident89.3Confident63 Ų6354.9 Ų54.929%0.29429%0.285SS..  trans-109.811.5-174.5-60.5-167.413300113.5L238 R241 T245 K246L238-E243 HydrophobicContact CB-CB 4.25Å; L238-E243 HydrophobicContact CD2-CB 4.03Å; L238-E243 PolarHBondContact O-N 3.21Å; R241-E243 VanDerWaalsContact C-N 3.29Å; R241-E243 HydrophobicContact CB-CG 4.18Å; R241-E243 PolarHBondContact O-N 3.32Å; E243-T245 PolarHBondContact O-N 3.48Å; E243-K246 HydrophobicContact CB-CD 4.05Å; E243-K246 HydrophobicContact CB-CG 4.41Å; E243-K246 HydrophobicContact CG-CD 4.45Å; E243-K246 VanDerWaalsContact O-CB 3.25Å; E243-K246 WeakPolarHBondContact O-CB 3.16Å; E243-K246 WeakPolarHBondContact O-CG 3.19Å; E243-K246 PolarHBondContact O-N 2.79Å; E243-K246 IonicContact OE1-NZ 2.78Å; E243-K246 PolarHBondContact OE1-NZ 2.93Å
244H87.9Confident89.8Confident13 Ų1356.9 Ų56.96%0.0629%0.288CS..G310 helixtrans-62.1-28.3-172.751.9-82.8000113.6L208 L238 A239 K246 H247 V250L208-H244 PolarHBondContact O-CE1 2.96Å; L208-H244 PolarHBondContact O-NE2 3.02Å; L238-H244 HydrophobicContact CB-CB 4.42Å; A239-H244 HydrophobicContact CB-CB 3.83Å; H244-K246 PolarHBondContact O-N 3.4Å; H244-K246 VanDerWaalsContact O-N 3.15Å; H244-H247 WeakPolarHBondContact O-CB 3.46Å; H244-H247 PolarHBondContact O-N 3.48Å; H244-V250 WeakPolarHBondContact O-CB 3.36Å; H244-V250 WeakPolarHBondContact O-CG2 3.4Å
245T91.1Very high90.2Very high37 Ų3752.3 Ų52.323%0.22727%0.267CS..G310 helixtrans-64.6-1217358.50000113.6V209 I222 E243 H247 Y252V209-T245 HydrophobicContact CG1-CG2 3.95Å; I222-T245 HydrophobicContact CD1-CG2 4.13Å; E243-T245 PolarHBondContact O-N 3.48Å; T245-H247 VanDerWaalsContact C-N 3.31Å; T245-Y252 HydrophobicContact CG2-CD1 4.13Å; T245-Y252 HydrophobicContact CG2-CG 4.08Å
246K93.2Very high90.6Very high144 Ų14454.7 Ų54.763%0.62628%0.276SS*.G310 helixtrans-80-12.2172.5-57.4-175.9-174.1174.60112.9E243 H244E243-K246 HydrophobicContact CB-CD 4.05Å; E243-K246 HydrophobicContact CB-CG 4.41Å; E243-K246 HydrophobicContact CG-CD 4.45Å; E243-K246 VanDerWaalsContact O-CB 3.25Å; E243-K246 WeakPolarHBondContact O-CB 3.16Å; E243-K246 WeakPolarHBondContact O-CG 3.19Å; E243-K246 PolarHBondContact O-N 2.79Å; E243-K246 IonicContact OE1-NZ 2.78Å; E243-K246 PolarHBondContact OE1-NZ 2.93Å; H244-K246 PolarHBondContact O-N 3.4Å; H244-K246 VanDerWaalsContact O-N 3.15Å
247H95.4Very high91.4Very high9 Ų954.4 Ų54.44%0.04228%0.281CS..SBendtrans-78.9133.9179.8-164.4-88.8000110.5H234 I235 L238 H244 T245 K249 V250H234-H247 AromaticContact CE1-CD2 3.8Å; H234-H247 AromaticContact CG-CD2 3.68Å; H234-H247 AromaticContact CG-NE2 3.86Å; H234-H247 AromaticContact ND1-CD2 3.23Å; H234-H247 PolarHBondContact ND1-CD2 2.84Å; H234-H247 AromaticContact ND1-NE2 3.31Å; H234-H247 PolarHBondContact ND1-NE2 2.92Å; I235-H247 HydrophobicContact CG1-CB 4Å; I235-H247 VanDerWaalsContact CG1-CG 3.48Å; I235-H247 WeakPolarHBondContact CG1-ND1 3.27Å; L238-H247 HydrophobicContact CD1-CB 3.74Å; H244-H247 WeakPolarHBondContact O-CB 3.46Å; H244-H247 PolarHBondContact O-N 3.48Å; T245-H247 VanDerWaalsContact C-N 3.31Å; H247-K249 WeakPolarHBondContact ND1-CB 3.36Å; H247-K249 PolarHBondContact ND1-N 3.34Å; H247-K249 VanDerWaalsContact ND1-N 3.15Å; H247-K249 PolarHBondContact O-N 2.94Å; H247-V250 HydrophobicContact CB-CB 4.36Å; H247-V250 HydrophobicContact CB-CG2 3.95Å; H247-V250 PolarHBondContact O-N 3.08Å
248P96.5Very high92Very high108 Ų10851.1 Ų51.170%0.70126%0.26SS*.THydrogen-bonded Turntrans-65.2-13-177.226.4-36.7000114.9
249K96.3Very high92.5Very high54 Ų5453.1 Ų53.124%0.23527%0.271CS..THydrogen-bonded Turntrans-953.8174.4-62.5-70.4-173.8172.10113.7V224 E225 K226 S227 E231 I235 H247V224-K249 WeakPolarHBondContact CA-O 3.49Å; E225-K249 HydrophobicContact CB-CB 4.29Å; E225-K249 HydrophobicContact CB-CD 3.84Å; E225-K249 PolarHBondContact N-O 3.4Å; K226-K249 PolarHBondContact O-NZ 2.81Å; S227-K249 WeakPolarHBondContact OG-CB 3.22Å; E231-K249 WeakPolarHBondContact OE1-CE 3.26Å; I235-K249 HydrophobicContact CD1-CB 4.22Å; H247-K249 WeakPolarHBondContact ND1-CB 3.36Å; H247-K249 PolarHBondContact ND1-N 3.34Å; H247-K249 VanDerWaalsContact ND1-N 3.15Å; H247-K249 PolarHBondContact O-N 2.94Å
250V94.9Very high93.2Very high9 Ų952.8 Ų52.86%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-116.1100.6177.7-179.80000106.7I222 I223 V224 I235 H244 H247I222-V250 HydrophobicContact CG2-CG1 3.94Å; I223-V250 WeakPolarHBondContact O-CA 3.28Å; V224-V250 HydrophobicContact CG2-CG2 4.41Å; I235-V250 HydrophobicContact CD1-CG2 4.16Å; I235-V250 HydrophobicContact CG1-CG2 3.96Å; I235-V250 HydrophobicContact CG2-CG2 4.06Å; H244-V250 WeakPolarHBondContact O-CB 3.36Å; H244-V250 WeakPolarHBondContact O-CG2 3.4Å; H247-V250 HydrophobicContact CB-CB 4.36Å; H247-V250 HydrophobicContact CB-CG2 3.95Å; H247-V250 PolarHBondContact O-N 3.08Å
251I96.5Very high94.2Very high38 Ų3852 Ų5220%0.19526%0.262CS..EExtended strand (participates in β ladder)trans-80.2128.9172.4-61.2169000106.8F187 I222 I223 E225 E253F187-I251 HydrophobicContact CD2-CD1 3.56Å; F187-I251 HydrophobicContact CE2-CD1 3.73Å; I222-I251 CarbonylContact C-O 3.56Å; I222-I251 VanDerWaalsContact CA-O 3.29Å; I222-I251 WeakPolarHBondContact CA-O 3.43Å; I223-I251 HydrophobicContact CB-CB 4.15Å; I223-I251 HydrophobicContact CD1-CG2 4.46Å; I223-I251 PolarHBondContact N-O 2.89Å; I223-I251 PolarHBondContact O-N 2.77Å; E225-I251 HydrophobicContact CG-CD1 4.16Å; I251-E253 HydrophobicContact CG2-CG 3.85Å
252Y95.7Very high94.9Very high50 Ų5044.7 Ų44.720%0.19624%0.24CC..EExtended strand (participates in β ladder)trans-122.5123.1171167.2-135.1000108.7V209 D211 T220 L221 I222 T245 K254V209-Y252 HydrophobicContact CB-CE1 4.3Å; V209-Y252 HydrophobicContact CB-CE2 4.3Å; V209-Y252 HydrophobicContact CG1-CD1 4.42Å; V209-Y252 HydrophobicContact CG1-CD2 3.91Å; V209-Y252 HydrophobicContact CG1-CE1 4.34Å; V209-Y252 HydrophobicContact CG1-CE2 3.88Å; V209-Y252 HydrophobicContact CG1-CG 4.21Å; V209-Y252 HydrophobicContact CG2-CE2 4.19Å; D211-Y252 VanDerWaalsContact CG-OH 3.3Å; D211-Y252 VanDerWaalsContact OD1-CE1 3.3Å; D211-Y252 WeakPolarHBondContact OD1-CE1 3.36Å; D211-Y252 PolarHBondContact OD1-OH 3.03Å; D211-Y252 PolarHBondContact OD2-OH 2.81Å; T220-Y252 HydrophobicContact CG2-CD2 4.24Å; T220-Y252 HydrophobicContact CG2-CE2 3.84Å; L221-Y252 WeakPolarHBondContact O-CA 3.42Å; I222-Y252 HydrophobicContact CD1-CD2 3.67Å; I222-Y252 HydrophobicContact CD1-CG 3.91Å; T245-Y252 HydrophobicContact CG2-CD1 4.13Å; T245-Y252 HydrophobicContact CG2-CG 4.08Å; Y252-K254 HydrophobicContact CE2-CG 4.38Å; Y252-K254 VanDerWaalsContact OH-CE 3.24Å; Y252-K254 WeakPolarHBondContact OH-CE 3.34Å
253E97Very high95.5Very high80 Ų8053 Ų5337%0.37427%0.268SS..EExtended strand (participates in β ladder)trans-136.8155.2177.3-63.3-69.5-179.800109.8Y182 L221 I251Y182-E253 HydrophobicContact CD2-CB 4.37Å; Y182-E253 HydrophobicContact CE2-CB 4.03Å; Y182-E253 HydrophobicContact CE2-CG 3.71Å; L221-E253 WeakPolarHBondContact CA-O 3.15Å; L221-E253 HydrophobicContact CB-CB 4.42Å; L221-E253 WeakPolarHBondContact CB-O 3.5Å; L221-E253 HydrophobicContact CD2-CB 4.27Å; L221-E253 PolarHBondContact N-O 3.11Å; L221-E253 PolarHBondContact O-N 3.32Å; I251-E253 HydrophobicContact CG2-CG 3.85Å
254K97.4Very high95.6Very high61 Ų6153.6 Ų53.627%0.26528%0.276SS..EExtended strand (participates in β ladder)trans-101127.2164.9-73.9-167.2177.4-164.60108.6D211 D216 Y218 F219 Y252D211-K254 PolarHBondContact O-NZ 3.32Å; D211-K254 IonicContact OD2-NZ 3.46Å; D216-K254 IonicContact OD2-NZ 3.38Å; D216-K254 PolarHBondContact OD2-NZ 3.47Å; Y218-K254 HydrophobicContact CD1-CB 3.86Å; Y218-K254 HydrophobicContact CG-CB 3.88Å; Y218-K254 HydrophobicContact CG-CD 4.41Å; F219-K254 WeakPolarHBondContact O-CA 3.28Å; Y252-K254 HydrophobicContact CE2-CG 4.38Å; Y252-K254 VanDerWaalsContact OH-CE 3.24Å; Y252-K254 WeakPolarHBondContact OH-CE 3.34Å
255A98.3Very high95.6Very high0 Ų058 Ų580%030%0.3CS..EExtended strand (participates in β ladder)trans-145.6144.1178.900000113.1Y182 D183 F219 I258Y182-A255 HydrophobicContact CD2-CB 4.27Å; Y182-A255 HydrophobicContact CG-CB 4.5Å; D183-A255 VanDerWaalsContact OD2-CA 3.23Å; D183-A255 WeakPolarHBondContact OD2-CA 3.1Å; F219-A255 PolarHBondContact N-O 3.43Å; F219-A255 PolarHBondContact O-N 3.42Å; A255-I258 HydrophobicContact CB-CD1 3.93Å; A255-I258 HydrophobicContact CB-CG1 3.8Å
256K98.6Very high95.5Very high66 Ų6656.6 Ų56.629%0.28729%0.291SS..SBendtrans-88.2-47.1-179.1-53.8-150.6169-163.40112.1D183 G217 Y218 L283 N284 E286D183-K256 PolarHBondContact OD1-N 3.11Å; D183-K256 PolarHBondContact OD2-N 3.3Å; G217-K256 WeakPolarHBondContact O-CD 3.13Å; G217-K256 WeakPolarHBondContact O-CE 3.29Å; G217-K256 WeakPolarHBondContact O-CG 3.4Å; Y218-K256 HydrophobicContact CD1-CG 3.64Å; Y218-K256 HydrophobicContact CE1-CD 4.28Å; Y218-K256 HydrophobicContact CE1-CG 3.59Å; Y218-K256 HydrophobicContact CG-CG 4.39Å; Y218-K256 VanDerWaalsContact CZ-CE 3.48Å; K256-L283 WeakPolarHBondContact O-CA 3.15Å; K256-N284 PolarHBondContact O-N 3.04Å; K256-E286 IonicContact NZ-OE2 3.25Å; K256-E286 PolarHBondContact NZ-OE2 3.09Å
257A98.8Very high95.3Very high35 Ų3551.9 Ų51.929%0.28927%0.271SS..EExtended strand (participates in β ladder)trans-117.7123-179.400000110.3Y182 D183 F282 L283Y182-A257 WeakPolarHBondContact CA-O 3.31Å; D183-A257 PolarHBondContact N-O 3.25Å; D183-A257 VanDerWaalsContact N-O 3.12Å; D183-A257 PolarHBondContact OD1-N 2.94Å; A257-F282 WeakPolarHBondContact CA-O 3.38Å; A257-L283 HydrophobicContact CB-CD1 3.98Å
258I98.8Very high95Very high0 Ų051.5 Ų51.50%027%0.27CS..EExtended strand (participates in β ladder)trans-132.2122.6-174.9-52.5172.5000109.6I180 E181 L196 F219 L221 A255 I260 F282I180-I258 HydrophobicContact CG2-CG2 3.77Å; E181-I258 CarbonylContact O-C 3.52Å; E181-I258 VanDerWaalsContact O-CA 3.23Å; E181-I258 WeakPolarHBondContact O-CA 3.49Å; L196-I258 HydrophobicContact CD1-CD1 4.23Å; L196-I258 HydrophobicContact CD2-CD1 3.39Å; L196-I258 HydrophobicContact CD2-CG2 4.41Å; L196-I258 HydrophobicContact CG-CD1 4.4Å; F219-I258 HydrophobicContact CB-CD1 4.07Å; F219-I258 HydrophobicContact CD2-CD1 3.88Å; F219-I258 HydrophobicContact CD2-CG1 4.44Å; F219-I258 HydrophobicContact CG-CD1 4.38Å; L221-I258 HydrophobicContact CB-CD1 4.15Å; L221-I258 HydrophobicContact CD2-CD1 4.32Å; A255-I258 HydrophobicContact CB-CD1 3.93Å; A255-I258 HydrophobicContact CB-CG1 3.8Å; I258-I260 HydrophobicContact CG2-CD1 4.11Å; I258-I260 HydrophobicContact CG2-CG1 3.84Å; I258-F282 HydrophobicContact CB-CB 4.22Å; I258-F282 PolarHBondContact N-O 2.59Å; I258-F282 WeakPolarHBondContact O-CA 3.47Å; I258-F282 WeakPolarHBondContact O-CB 3.3Å; I258-F282 WeakPolarHBondContact O-CD2 3.29Å; I258-F282 PolarHBondContact O-N 2.78Å
259N98.6Very high94.7Very high64 Ų6448.3 Ų48.334%0.34225%0.247SC..EExtended strand (participates in β ladder)trans-112.9123.4175-58.3-48.5000109.5E181 N281E181-N259 HydrophobicContact CB-CB 4.41Å; E181-N259 PolarHBondContact N-O 3.41Å; E181-N259 PolarHBondContact O-N 3.06Å; N259-N281 VanDerWaalsContact OD1-CB 3.29Å; N259-N281 WeakPolarHBondContact OD1-CB 3.34Å; N259-N281 PolarHBondContact OD1-OD1 2.79Å
260I98.3Very high94.3Very high1 Ų146.2 Ų46.21%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-117.3131.1-175.7-51.1-174.5000109.7R179 I180 F194 L196 I258 L278 P279 A280 F282R179-I260 WeakPolarHBondContact O-CA 3.23Å; I180-I260 HydrophobicContact CG1-CD1 4.4Å; I180-I260 HydrophobicContact CG1-CG1 4.18Å; I180-I260 HydrophobicContact CG1-CG2 4Å; I180-I260 HydrophobicContact CG2-CD1 4.49Å; I180-I260 HydrophobicContact CG2-CG1 4.21Å; F194-I260 HydrophobicContact CD2-CD1 3.62Å; F194-I260 HydrophobicContact CE1-CD1 4.3Å; F194-I260 HydrophobicContact CE1-CG2 4.02Å; F194-I260 HydrophobicContact CE2-CD1 3.36Å; F194-I260 HydrophobicContact CG-CD1 4.21Å; F194-I260 HydrophobicContact CZ-CD1 3.7Å; F194-I260 HydrophobicContact CZ-CG2 4.05Å; L196-I260 HydrophobicContact CD1-CD1 4.25Å; I258-I260 HydrophobicContact CG2-CD1 4.11Å; I258-I260 HydrophobicContact CG2-CG1 3.84Å; I260-L278 HydrophobicContact CB-CD2 3.81Å; I260-L278 HydrophobicContact CG2-CD1 3.78Å; I260-L278 HydrophobicContact CG2-CD2 3.6Å; I260-L278 HydrophobicContact CG2-CG 4.38Å; I260-P279 WeakPolarHBondContact O-CA 3.46Å; I260-A280 PolarHBondContact N-O 3.45Å; I260-A280 PolarHBondContact O-N 3.37Å; I260-F282 HydrophobicContact CB-CE2 4.38Å; I260-F282 HydrophobicContact CD1-CD2 4.23Å; I260-F282 HydrophobicContact CD1-CE2 3.81Å; I260-F282 HydrophobicContact CG1-CD2 4.23Å; I260-F282 HydrophobicContact CG1-CE2 4.02Å
261S97.6Very high93.8Very high43 Ų4346.7 Ų46.730%0.30124%0.241SC..EExtended strand (participates in β ladder)trans-145.1159.1176.861.60000111.8R179R179-S261 PolarHBondContact N-O 3.4Å; R179-S261 PolarHBondContact O-N 2.93Å
262S95.2Very high93Very high33 Ų3347.6 Ų47.623%0.23126%0.259CS..  trans-152.8152.7173.7-174.70000109.6D177 T264D177-S262 WeakPolarHBondContact O-CB 3.3Å; D177-S262 PolarHBondContact O-OG 3.3Å; S262-T264 WeakPolarHBondContact CB-O 3.37Å; S262-T264 PolarHBondContact OG-N 2.82Å; S262-T264 PolarHBondContact OG-O 2.8Å
263F91.3Very high92.2Very high204 Ų20450.1 Ų50.190%0.89527%0.273SS*.SBendtrans-76.2-13.6166.6-68.7-74.7000112.7
264T89.8Confident91.7Very high77 Ų7752.5 Ų52.547%0.47228%0.279SS..SBendtrans-101140.5175.5-56.30000109.8V176 S262 L266V176-T264 HydrophobicContact CG1-CG2 4.31Å; S262-T264 WeakPolarHBondContact CB-O 3.37Å; S262-T264 PolarHBondContact OG-N 2.82Å; S262-T264 PolarHBondContact OG-O 2.8Å; T264-L266 PolarHBondContact O-N 2.86Å
265D88.1Confident91.1Very high105 Ų10549.8 Ų49.856%0.56127%0.268SS*.  trans-63.2123.8174.9-165.8-38.7000110K277D265-K277 WeakPolarHBondContact OD1-CD 3.13Å; D265-K277 WeakPolarHBondContact OD1-CE 3.42Å; D265-K277 IonicContact OD1-NZ 2.78Å; D265-K277 PolarHBondContact OD1-NZ 2.75Å; D265-K277 WeakPolarHBondContact OD2-CE 3.27Å; D265-K277 IonicContact OD2-NZ 2.72Å; D265-K277 PolarHBondContact OD2-NZ 2.91Å
266L89.6Confident90.7Very high8 Ų850.6 Ų50.64%0.04228%0.277CS..  trans-134.4127.4178.8-174.3147.2000109.4V176 L178 F194 T264 L268 K277 L278V176-L266 HydrophobicContact CB-CD1 4.18Å; V176-L266 HydrophobicContact CG1-CD1 4.19Å; V176-L266 HydrophobicContact CG2-CD1 4.22Å; L178-L266 HydrophobicContact CD2-CD1 4.12Å; F194-L266 HydrophobicContact CE1-CD2 4.02Å; F194-L266 HydrophobicContact CZ-CD2 4.42Å; T264-L266 PolarHBondContact O-N 2.86Å; L266-L268 HydrophobicContact CD2-CD2 4.08Å; L266-K277 WeakPolarHBondContact O-CA 3.43Å; L266-L278 HydrophobicContact CB-CD1 4.02Å; L266-L278 HydrophobicContact CB-CG 4.35Å; L266-L278 HydrophobicContact CD2-CD1 4Å; L266-L278 HydrophobicContact CD2-CG 4.12Å; L266-L278 HydrophobicContact CG-CD1 4.46Å; L266-L278 PolarHBondContact O-N 3.23Å; L266-L278 VanDerWaalsContact O-N 3.1Å
267Q88.5Confident90.4Very high45 Ų4552 Ų5221%0.2128%0.283CS..EExtended strand (participates in β ladder)trans-84.9143.6177.9-68.5-177-9.700111.3T143 Y274 G276 K277T143-Q267 PolarHBondContact OG1-O 3.2Å; Q267-Y274 HydrophobicContact CB-CE2 4.06Å; Q267-Y274 HydrophobicContact CG-CE2 3.87Å; Q267-G276 WeakPolarHBondContact CA-O 3.24Å; Q267-K277 HydrophobicContact CG-CG 4.36Å
268L90Very high90.3Very high1 Ų151.5 Ų51.51%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-103.5145.7178.4-59171.6000110.2M128 A138 F194 L266 G275 G276 L278 A280M128-L268 HydrophobicContact CE-CD1 4.35Å; M128-L268 HydrophobicContact SD-CD1 3.73Å; A138-L268 CarbonylContact O-C 3.49Å; A138-L268 WeakPolarHBondContact O-CA 3.37Å; F194-L268 HydrophobicContact CE1-CD2 4.49Å; F194-L268 HydrophobicContact CE2-CD2 4.19Å; F194-L268 HydrophobicContact CZ-CD2 3.53Å; L266-L268 HydrophobicContact CD2-CD2 4.08Å; L268-G275 PolarHBondContact O-N 3.27Å; L268-G276 PolarHBondContact N-O 2.77Å; L268-L278 HydrophobicContact CD1-CD2 4.24Å; L268-L278 HydrophobicContact CD2-CD2 3.93Å; L268-L278 HydrophobicContact CD2-CG 4.33Å; L268-L278 HydrophobicContact CG-CD2 4.46Å; L268-A280 HydrophobicContact CD1-CB 3.68Å
269N88.7Confident90.2Very high41 Ų4155.9 Ų55.922%0.21930%0.304CS..EExtended strand (participates in β ladder)trans-110.4134.7163.1-176.4-80.3000108.2A137 A138 T143 G272 E273A137-N269 CarbonylContact C-O 3.59Å; A137-N269 WeakPolarHBondContact CA-O 3.23Å; A138-N269 HydrophobicContact CB-CB 4.37Å; A138-N269 PolarHBondContact N-O 3.13Å; A138-N269 PolarHBondContact O-N 3.09Å; T143-N269 HydrophobicContact CG2-CB 4.09Å; N269-G272 VanDerWaalsContact ND2-C 3.27Å; N269-G272 PolarHBondContact ND2-O 3.5Å; N269-G272 VanDerWaalsContact ND2-O 3.12Å; N269-G272 VanDerWaalsContact OD1-CA 3.25Å; N269-G272 WeakPolarHBondContact OD1-CA 3.46Å; N269-G272 PolarHBondContact OD1-N 3.42Å; N269-G272 VanDerWaalsContact OD1-N 3.13Å; N269-E273 CarbonylContact C-O 3.45Å; N269-E273 VanDerWaalsContact CA-O 3.24Å; N269-E273 WeakPolarHBondContact CA-O 3.42Å; N269-E273 PolarHBondContact ND2-O 3.49Å
270V88.2Confident90.1Very high10 Ų1052.8 Ų52.86%0.06129%0.287CS..EExtended strand (participates in β ladder)trans-134.5121179.9176.90000108M128 F133 L136 A137 G272 E273M128-V270 HydrophobicContact CE-CG2 3.82Å; M128-V270 HydrophobicContact SD-CG2 3.7Å; F133-V270 HydrophobicContact CB-CG1 3.36Å; F133-V270 HydrophobicContact CD1-CG1 4.29Å; F133-V270 HydrophobicContact CG-CG1 3.93Å; L136-V270 WeakPolarHBondContact O-CA 3.46Å; A137-V270 HydrophobicContact CB-CG2 4.09Å; V270-G272 PolarHBondContact O-N 3.04Å; V270-G272 VanDerWaalsContact O-N 3.14Å; V270-E273 PolarHBondContact N-O 3.03Å; V270-E273 PolarHBondContact O-N 2.84Å
271D85.4Confident90.2Very high19 Ų1957 Ų5710%0.10231%0.31CS..THydrogen-bonded Turntrans4837.3-175.5-68.7-8.9000113.8N72 F133 I134 N135 L136 E273N72-D271 PolarHBondContact ND2-OD2 3.25Å; F133-D271 WeakPolarHBondContact CA-OD2 3.4Å; F133-D271 WeakPolarHBondContact CB-OD2 3.46Å; I134-D271 WeakPolarHBondContact CG1-OD2 3.26Å; I134-D271 PolarHBondContact N-OD2 3.12Å; N135-D271 WeakPolarHBondContact CA-OD1 3.33Å; N135-D271 VanDerWaalsContact CB-OD1 3.31Å; N135-D271 WeakPolarHBondContact CB-OD1 3.25Å; N135-D271 PolarHBondContact N-OD1 3.04Å; L136-D271 PolarHBondContact N-OD1 2.66Å; L136-D271 PolarHBondContact O-N 2.79Å; D271-E273 VanDerWaalsContact C-N 3.35Å
272G79.2Confident90.2Very high57 Ų5755.1 Ų55.159%0.58830%0.296SS*.THydrogen-bonded Turntrans89.5-10.1179.300000114.6N269 V270N269-G272 VanDerWaalsContact ND2-C 3.27Å; N269-G272 PolarHBondContact ND2-O 3.5Å; N269-G272 VanDerWaalsContact ND2-O 3.12Å; N269-G272 VanDerWaalsContact OD1-CA 3.25Å; N269-G272 WeakPolarHBondContact OD1-CA 3.46Å; N269-G272 PolarHBondContact OD1-N 3.42Å; N269-G272 VanDerWaalsContact OD1-N 3.13Å; V270-G272 PolarHBondContact O-N 3.04Å; V270-G272 VanDerWaalsContact O-N 3.14Å
273E79.8Confident90.4Very high102 Ų10257.1 Ų57.148%0.47730%0.304SS..EExtended strand (participates in β ladder)trans-107.2168.2-178.5-61.4-164.5179.800113.4N269 V270 D271 G275N269-E273 CarbonylContact C-O 3.45Å; N269-E273 VanDerWaalsContact CA-O 3.24Å; N269-E273 WeakPolarHBondContact CA-O 3.42Å; N269-E273 PolarHBondContact ND2-O 3.49Å; V270-E273 PolarHBondContact N-O 3.03Å; V270-E273 PolarHBondContact O-N 2.84Å; D271-E273 VanDerWaalsContact C-N 3.35Å; E273-G275 PolarHBondContact O-N 3.22Å; E273-G275 VanDerWaalsContact O-N 3.16Å
274Y85.4Confident90.7Very high130 Ų13048 Ų4851%0.5126%0.264SS..EExtended strand (participates in β ladder)trans-66.1113.8176177-106.5000111.3Q267 G276Q267-Y274 HydrophobicContact CB-CE2 4.06Å; Q267-Y274 HydrophobicContact CG-CE2 3.87Å; Y274-G276 WeakPolarHBondContact CE2-O 3.41Å
275G85.7Confident91.2Very high4 Ų445.2 Ų45.24%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-86.7-9.1-175.800000115.2M128 R131 L268 E273M128-G275 WeakPolarHBondContact CE-O 3.5Å; R131-G275 PolarHBondContact NH1-O 3.12Å; L268-G275 PolarHBondContact O-N 3.27Å; E273-G275 PolarHBondContact O-N 3.22Å; E273-G275 VanDerWaalsContact O-N 3.16Å
276G89.6Confident91.7Very high17 Ų1745 Ų4518%0.17524%0.242CC..EExtended strand (participates in β ladder)trans103.3-145.7-17100000112.2Q267 L268 Y274Q267-G276 WeakPolarHBondContact CA-O 3.24Å; L268-G276 PolarHBondContact N-O 2.77Å; Y274-G276 WeakPolarHBondContact CE2-O 3.41Å
277K92.8Very high92.1Very high95 Ų9548.7 Ų48.741%0.41326%0.256SS..EExtended strand (participates in β ladder)trans-134.4158.1-174.9-67.2176.5169.4-168.50111D265 L266 Q267D265-K277 WeakPolarHBondContact OD1-CD 3.13Å; D265-K277 WeakPolarHBondContact OD1-CE 3.42Å; D265-K277 IonicContact OD1-NZ 2.78Å; D265-K277 PolarHBondContact OD1-NZ 2.75Å; D265-K277 WeakPolarHBondContact OD2-CE 3.27Å; D265-K277 IonicContact OD2-NZ 2.72Å; D265-K277 PolarHBondContact OD2-NZ 2.91Å; L266-K277 WeakPolarHBondContact O-CA 3.43Å; Q267-K277 HydrophobicContact CG-CG 4.36Å
278L95Very high92.6Very high25 Ų2548 Ų4813%0.13125%0.252CS..SBendtrans-62.2153.5166.4-68.9-175.5000111.7L178 F194 I260 L266 L268 A280L178-L278 HydrophobicContact CD2-CD1 3.9Å; F194-L278 HydrophobicContact CZ-CD2 4.48Å; I260-L278 HydrophobicContact CB-CD2 3.81Å; I260-L278 HydrophobicContact CG2-CD1 3.78Å; I260-L278 HydrophobicContact CG2-CD2 3.6Å; I260-L278 HydrophobicContact CG2-CG 4.38Å; L266-L278 HydrophobicContact CB-CD1 4.02Å; L266-L278 HydrophobicContact CB-CG 4.35Å; L266-L278 HydrophobicContact CD2-CD1 4Å; L266-L278 HydrophobicContact CD2-CG 4.12Å; L266-L278 HydrophobicContact CG-CD1 4.46Å; L266-L278 PolarHBondContact O-N 3.23Å; L266-L278 VanDerWaalsContact O-N 3.1Å; L268-L278 HydrophobicContact CD1-CD2 4.24Å; L268-L278 HydrophobicContact CD2-CD2 3.93Å; L268-L278 HydrophobicContact CD2-CG 4.33Å; L268-L278 HydrophobicContact CG-CD2 4.46Å; L278-A280 HydrophobicContact CD2-CB 3.97Å
279P97Very high93Very high92 Ų9248.1 Ų48.160%0.59725%0.253SS*.  cis-74.5151.11.332-36.1000113.3N129 I260N129-P279 PolarHBondContact ND2-O 3.35Å; I260-P279 WeakPolarHBondContact O-CA 3.46Å
280A98Very high93.5Very high0 Ų048.3 Ų48.30%025%0.254CS..EExtended strand (participates in β ladder)trans-139.3129.6177.500000111.5M128 I260 L268 L278 F282M128-A280 HydrophobicContact CG-CB 4.08Å; M128-A280 HydrophobicContact SD-CB 4.28Å; I260-A280 PolarHBondContact N-O 3.45Å; I260-A280 PolarHBondContact O-N 3.37Å; L268-A280 HydrophobicContact CD1-CB 3.68Å; L278-A280 HydrophobicContact CD2-CB 3.97Å; A280-F282 HydrophobicContact CB-CD2 4.32Å; A280-F282 HydrophobicContact CB-CE2 3.47Å; A280-F282 VanDerWaalsContact CB-CE2 3.47Å; A280-F282 HydrophobicContact CB-CZ 3.71Å
281N98.5Very high94Very high88 Ų8847.8 Ų47.847%0.47125%0.251SS..EExtended strand (participates in β ladder)trans-102.3129.2175.1-61.7-8.1000108.6M128 N129 N259M128-N281 CarbonylContact C-O 3.59Å; M128-N281 WeakPolarHBondContact CA-O 3.46Å; N129-N281 PolarHBondContact N-O 2.81Å; N129-N281 PolarHBondContact OD1-N 2.59Å; N259-N281 VanDerWaalsContact OD1-CB 3.29Å; N259-N281 WeakPolarHBondContact OD1-CB 3.34Å; N259-N281 PolarHBondContact OD1-OD1 2.79Å
282F98.7Very high94.6Very high4 Ų447.1 Ų47.12%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-117.8138.3-176.9-59-95.4000110.4K127 M128 F133 A137 L196 F219 A257 I258 I260 A280K127-F282 CarbonylContact O-C 3.56Å; K127-F282 WeakPolarHBondContact O-CA 3.4Å; M128-F282 HydrophobicContact CB-CD1 3.73Å; M128-F282 HydrophobicContact CB-CE1 3.64Å; M128-F282 HydrophobicContact CG-CD1 3.76Å; M128-F282 HydrophobicContact CG-CE1 3.28Å; M128-F282 HydrophobicContact CG-CE2 4.44Å; M128-F282 HydrophobicContact CG-CZ 3.68Å; M128-F282 HydrophobicContact SD-CD1 4.44Å; M128-F282 HydrophobicContact SD-CE1 3.42Å; M128-F282 WeakPolarHBondContact SD-CE1 3.47Å; M128-F282 HydrophobicContact SD-CZ 3.6Å; M128-F282 VanDerWaalsContact SD-CZ 3.6Å; F133-F282 AromaticContact CE1-CD1 3.88Å; F133-F282 HydrophobicContact CE1-CD1 3.88Å; F133-F282 HydrophobicContact CE1-CE1 4.31Å; F133-F282 HydrophobicContact CZ-CD1 4.15Å; A137-F282 HydrophobicContact CB-CD1 4.33Å; A137-F282 HydrophobicContact CB-CE1 3.52Å; A137-F282 HydrophobicContact CB-CZ 4.21Å; L196-F282 HydrophobicContact CD1-CB 3.85Å; L196-F282 HydrophobicContact CD1-CD1 3.42Å; L196-F282 VanDerWaalsContact CD1-CD1 3.42Å; L196-F282 HydrophobicContact CD1-CD2 3.5Å; L196-F282 HydrophobicContact CD1-CE1 3.71Å; L196-F282 HydrophobicContact CD1-CE2 3.8Å; L196-F282 HydrophobicContact CD1-CG 3.3Å; L196-F282 HydrophobicContact CD1-CZ 3.9Å; F219-F282 HydrophobicContact CE2-CB 3.95Å; F219-F282 HydrophobicContact CZ-CB 4.43Å; A257-F282 WeakPolarHBondContact CA-O 3.38Å; I258-F282 HydrophobicContact CB-CB 4.22Å; I258-F282 PolarHBondContact N-O 2.59Å; I258-F282 WeakPolarHBondContact O-CA 3.47Å; I258-F282 WeakPolarHBondContact O-CB 3.3Å; I258-F282 WeakPolarHBondContact O-CD2 3.29Å; I258-F282 PolarHBondContact O-N 2.78Å; I260-F282 HydrophobicContact CB-CE2 4.38Å; I260-F282 HydrophobicContact CD1-CD2 4.23Å; I260-F282 HydrophobicContact CD1-CE2 3.81Å; I260-F282 HydrophobicContact CG1-CD2 4.23Å; I260-F282 HydrophobicContact CG1-CE2 4.02Å; A280-F282 HydrophobicContact CB-CD2 4.32Å; A280-F282 HydrophobicContact CB-CE2 3.47Å; A280-F282 VanDerWaalsContact CB-CE2 3.47Å; A280-F282 HydrophobicContact CB-CZ 3.71Å
283L98.8Very high95.5Very high76 Ų7644.5 Ų44.540%0.39822%0.22SC..EExtended strand (participates in β ladder)trans-138.3125.7174.4-17468.1000109.2K127 F219 K256 A257 L285K127-L283 HydrophobicContact CB-CB 4.43Å; K127-L283 PolarHBondContact N-O 3.26Å; K127-L283 PolarHBondContact O-N 2.74Å; F219-L283 VanDerWaalsContact CE2-C 3.45Å; K256-L283 WeakPolarHBondContact O-CA 3.15Å; A257-L283 HydrophobicContact CB-CD1 3.98Å; L283-L285 HydrophobicContact CD2-CD2 3.92Å; L283-L285 HydrophobicContact CG-CD2 4.22Å; L283-L285 PolarHBondContact O-N 3.21Å
284N98.7Very high96.4Very high11 Ų1140 Ų406%0.05920%0.199CC..EExtended strand (participates in β ladder)trans-75.4122.9169.3-178.8-47.5000108.1D124 G217 Y218 F219 K256 E286D124-N284 WeakPolarHBondContact CB-OD1 3.34Å; D124-N284 PolarHBondContact OD2-ND2 2.82Å; D124-N284 PolarHBondContact OD2-OD1 2.88Å; G217-N284 VanDerWaalsContact C-CG 3.45Å; Y218-N284 PolarHBondContact N-ND2 2.7Å; Y218-N284 PolarHBondContact O-ND2 3.4Å; Y218-N284 VanDerWaalsContact O-ND2 3.12Å; F219-N284 HydrophobicContact CD1-CB 4.5Å; F219-N284 HydrophobicContact CD2-CB 4Å; F219-N284 HydrophobicContact CE1-CB 4.28Å; F219-N284 HydrophobicContact CE2-CB 3.79Å; F219-N284 HydrophobicContact CG-CB 4.37Å; F219-N284 HydrophobicContact CZ-CB 3.94Å; K256-N284 PolarHBondContact O-N 3.04Å; N284-E286 PolarHBondContact O-N 3.02Å; N284-E286 PolarHBondContact OD1-N 3.39Å
285L98.7Very high96.9Very high19 Ų1934.5 Ų34.510%0.09918%0.179CC..EExtended strand (participates in β ladder)trans-92.892.7172.1-56-175.2000107.9E80 D124 I125 K127 Y132 L283 R287 H288E80-L285 HydrophobicContact CG-CD1 3.69Å; D124-L285 WeakPolarHBondContact CA-O 3.23Å; I125-L285 HydrophobicContact CD1-CD1 4.21Å; I125-L285 HydrophobicContact CG1-CB 3.95Å; I125-L285 HydrophobicContact CG1-CD1 4.07Å; I125-L285 HydrophobicContact CG1-CG 4.37Å; I125-L285 PolarHBondContact N-O 3.04Å; I125-L285 PolarHBondContact O-N 3.2Å; K127-L285 HydrophobicContact CB-CD1 4.28Å; K127-L285 HydrophobicContact CB-CG 4.28Å; Y132-L285 HydrophobicContact CD1-CD1 4.14Å; Y132-L285 HydrophobicContact CE1-CD1 3.98Å; L283-L285 HydrophobicContact CD2-CD2 3.92Å; L283-L285 HydrophobicContact CG-CD2 4.22Å; L283-L285 PolarHBondContact O-N 3.21Å; L285-R287 PolarHBondContact O-N 3.26Å; L285-H288 HydrophobicContact CB-CB 3.81Å; L285-H288 VanDerWaalsContact O-CB 3.27Å; L285-H288 WeakPolarHBondContact O-CB 3.34Å
286E98.6Very high97.4Very high102 Ų10238.5 Ų38.548%0.47720%0.199SC..EExtended strand (participates in β ladder)trans-57125.9-174.8-176.2176.8145.200111.7D124 K256 N284 H288D124-E286 VanDerWaalsContact OD1-CA 3.28Å; D124-E286 WeakPolarHBondContact OD1-CA 3.46Å; K256-E286 IonicContact NZ-OE2 3.25Å; K256-E286 PolarHBondContact NZ-OE2 3.09Å; N284-E286 PolarHBondContact O-N 3.02Å; N284-E286 PolarHBondContact OD1-N 3.39Å; E286-H288 PolarHBondContact O-N 3.17Å; E286-H288 VanDerWaalsContact O-N 3.09Å
287R98.4Very high97.7Very high85 Ų8540.5 Ų40.532%0.32121%0.205SC..EExtended strand (participates in β ladder)trans4941.1172.7-61.5-175.173.3-157.26.6113K122 V123 D124 D215 L285 N304K122-R287 HydrophobicContact CB-CB 3.71Å; K122-R287 HydrophobicContact CB-CG 4.37Å; K122-R287 HydrophobicContact CD-CB 4.42Å; V123-R287 CarbonylContact O-C 3.28Å; V123-R287 WeakPolarHBondContact O-CA 3.41Å; D124-R287 PolarHBondContact OD1-N 2.88Å; D215-R287 HydrophobicContact CB-CG 3.97Å; L285-R287 PolarHBondContact O-N 3.26Å; R287-N304 VanDerWaalsContact NH2-CG 3.31Å; R287-N304 PolarHBondContact NH2-ND2 2.85Å; R287-N304 VanDerWaalsContact NH2-ND2 3.16Å
288H98.6Very high97.9Very high30 Ų3039.8 Ų39.814%0.13921%0.209CC..EExtended strand (participates in β ladder)trans-85.2-31.3-168.1-170.370.2000114.3E80 R84 V123 I125 L285 E286E80-H288 PolarHBondContact N-NE2 2.94Å; R84-H288 PolarHBondContact NE-O 2.74Å; R84-H288 PolarHBondContact NH2-ND1 3.04Å; R84-H288 PolarHBondContact NH2-O 2.92Å; V123-H288 PolarHBondContact O-N 3.14Å; I125-H288 HydrophobicContact CG1-CB 4.27Å; L285-H288 HydrophobicContact CB-CB 3.81Å; L285-H288 VanDerWaalsContact O-CB 3.27Å; L285-H288 WeakPolarHBondContact O-CB 3.34Å; E286-H288 PolarHBondContact O-N 3.17Å; E286-H288 VanDerWaalsContact O-N 3.09Å
289I98.7Very high97.9Very high3 Ų338.8 Ų38.82%0.01520%0.204CC..EExtended strand (participates in β ladder)trans-105.9121179.2-62.1-58.8000109.7V75 I78 L87 K122 V123 I125 V291V75-I289 HydrophobicContact CG1-CD1 4.33Å; V75-I289 HydrophobicContact CG1-CG1 4.28Å; I78-I289 HydrophobicContact CD1-CD1 4.07Å; I78-I289 HydrophobicContact CG1-CD1 4.19Å; L87-I289 HydrophobicContact CB-CG2 4.07Å; L87-I289 HydrophobicContact CD2-CG2 3.68Å; K122-I289 CarbonylContact C-O 3.58Å; K122-I289 VanDerWaalsContact CA-O 3.27Å; K122-I289 WeakPolarHBondContact CA-O 3.42Å; V123-I289 HydrophobicContact CG2-CB 4.09Å; V123-I289 PolarHBondContact N-O 2.99Å; V123-I289 PolarHBondContact O-N 3.11Å; V123-I289 VanDerWaalsContact O-N 3.14Å; I125-I289 HydrophobicContact CD1-CD1 4.48Å; I125-I289 HydrophobicContact CD1-CG1 4.27Å; I125-I289 HydrophobicContact CG2-CB 4.31Å; I125-I289 HydrophobicContact CG2-CG1 3.51Å; I289-V291 HydrophobicContact CG2-CB 4.41Å
290D98.7Very high97.8Very high45 Ų4541.3 Ų41.324%0.24121%0.207CC..EExtended strand (participates in β ladder)trans-88.4112.2172.8-168.71.1000108.6K86 L87 S120 T121 K122K86-D290 CarbonylContact C-O 3.48Å; K86-D290 WeakPolarHBondContact CA-O 3.49Å; K86-D290 VanDerWaalsContact CE-OD2 3.3Å; K86-D290 WeakPolarHBondContact CE-OD2 3.39Å; K86-D290 HydrophobicContact CG-CB 4.37Å; L87-D290 PolarHBondContact N-O 2.75Å; S120-D290 WeakPolarHBondContact CB-OD1 3.39Å; S120-D290 PolarHBondContact OG-OD1 2.91Å; T121-D290 WeakPolarHBondContact O-CA 3.3Å; K122-D290 HydrophobicContact CG-CB 4.23Å
291V98.8Very high97.6Very high0 Ų042.6 Ų42.60%021%0.213CC..EExtended strand (participates in β ladder)trans-127.1135.2-169.657.40000110.6L87 V89 F98 L102 S120 T121 V123 I289L87-V291 HydrophobicContact CB-CB 4.2Å; L87-V291 HydrophobicContact CB-CG2 4.24Å; L87-V291 HydrophobicContact CD2-CG2 4.49Å; L87-V291 HydrophobicContact CG-CG2 4.36Å; L87-V291 CarbonylContact O-C 3.42Å; L87-V291 VanDerWaalsContact O-CA 3.3Å; L87-V291 WeakPolarHBondContact O-CA 3.31Å; L87-V291 WeakPolarHBondContact O-CG2 3.33Å; V89-V291 HydrophobicContact CG2-CG2 3.94Å; F98-V291 HydrophobicContact CE1-CG2 4.34Å; L102-V291 HydrophobicContact CD1-CB 4.4Å; L102-V291 HydrophobicContact CD1-CG1 3.59Å; L102-V291 HydrophobicContact CD1-CG2 3.88Å; S120-V291 CarbonylContact C-O 3.51Å; S120-V291 WeakPolarHBondContact CA-O 3.18Å; S120-V291 WeakPolarHBondContact CB-O 3.27Å; T121-V291 HydrophobicContact CG2-CG1 4Å; T121-V291 PolarHBondContact N-O 3.45Å; T121-V291 WeakPolarHBondContact O-CG1 3.35Å; T121-V291 PolarHBondContact O-N 2.92Å; V123-V291 HydrophobicContact CG1-CG1 3.99Å; V123-V291 HydrophobicContact CG2-CG1 4.1Å; I289-V291 HydrophobicContact CG2-CB 4.41Å
292F98.8Very high97.5Very high5 Ų538.7 Ų38.72%0.02219%0.192CC..EExtended strand (participates in β ladder)trans-63.7137.5176.6-62.8-74.5000111V61 K86 L87 I104 V114 I115 H119V61-F292 HydrophobicContact CB-CE2 4.35Å; V61-F292 HydrophobicContact CG1-CE2 4.1Å; V61-F292 HydrophobicContact CG2-CE2 3.36Å; V61-F292 HydrophobicContact CG2-CZ 3.42Å; V61-F292 VanDerWaalsContact CG2-CZ 3.42Å; K86-F292 HydrophobicContact CB-CE2 3.72Å; K86-F292 HydrophobicContact CB-CZ 3.73Å; K86-F292 HydrophobicContact CD-CE1 3.75Å; K86-F292 HydrophobicContact CD-CE2 4.42Å; K86-F292 HydrophobicContact CD-CZ 3.65Å; K86-F292 HydrophobicContact CG-CZ 4.34Å; L87-F292 VanDerWaalsContact O-CD2 3.26Å; L87-F292 WeakPolarHBondContact O-CD2 3.19Å; L87-F292 PolarHBondContact O-N 3.04Å; I104-F292 WeakPolarHBondContact CD1-O 3.42Å; V114-F292 HydrophobicContact CG1-CB 4.13Å; I115-F292 HydrophobicContact CB-CD2 4.31Å; I115-F292 HydrophobicContact CG1-CB 4.3Å; I115-F292 HydrophobicContact CG1-CD2 4.07Å; I115-F292 HydrophobicContact CG1-CG 4.4Å; I115-F292 HydrophobicContact CG2-CD2 4.03Å; I115-F292 HydrophobicContact CG2-CE2 4.05Å; H119-F292 VanDerWaalsContact O-CA 3.27Å; H119-F292 WeakPolarHBondContact O-CA 3.49Å; H119-F292 WeakPolarHBondContact O-CD1 3.23Å
293A98.5Very high97.4Very high2 Ų244 Ų442%0.01722%0.22CC..  trans-142.2151.8-178.200000110V114 H119 T121V114-A293 VanDerWaalsContact CG1-C 3.43Å; H119-A293 PolarHBondContact O-N 3.18Å; T121-A293 HydrophobicContact CG2-CB 3.96Å
294P98Very high97.3Very high6 Ų642 Ų424%0.03921%0.21CC..  trans-58.6139.8179.4-1830.7000111.1L102 H103 V114 D296 I297 H307L102-P294 VanDerWaalsContact O-CD 3.3Å; L102-P294 WeakPolarHBondContact O-CD 3.11Å; H103-P294 HydrophobicContact CB-CG 4.35Å; H103-P294 WeakPolarHBondContact O-CG 3.42Å; V114-P294 HydrophobicContact CG2-CB 4.37Å; V114-P294 HydrophobicContact CG2-CG 4.05Å; P294-D296 WeakPolarHBondContact CB-OD1 3.44Å; P294-I297 HydrophobicContact CB-CD1 4.12Å; P294-I297 HydrophobicContact CB-CG1 4.33Å; P294-I297 HydrophobicContact CG-CD1 4.25Å; P294-H307 PolarHBondContact O-CD2 3.41Å
295N97.2Very high97.3Very high16 Ų1643.3 Ų43.39%0.08622%0.216CC..SBendtrans-93.20.7-178.264.423.5000113E117 H119 V308 D309 L312E117-N295 PolarHBondContact OE2-ND2 2.83Å; H119-N295 HydrophobicContact CB-CB 3.86Å; H119-N295 PolarHBondContact CD2-ND2 3.49Å; N295-V308 CarbonylContact O-C 3.56Å; N295-V308 WeakPolarHBondContact O-CA 3.08Å; N295-V308 WeakPolarHBondContact O-CG1 3.39Å; N295-D309 PolarHBondContact O-N 3.13Å; N295-L312 WeakPolarHBondContact OD1-CD1 3.21Å
296D96.3Very high97.1Very high87 Ų8749 Ų4947%0.46525%0.247SC..SBendtrans-112.85.6-174.261.9-22.9000112.4P294 L312P294-D296 WeakPolarHBondContact CB-OD1 3.44Å; D296-L312 HydrophobicContact CB-CB 4.17Å; D296-L312 HydrophobicContact CB-CD1 4.28Å
297I95.6Very high97Very high59 Ų5944.7 Ų44.730%0.30323%0.227SC..  trans-129.4116.4-178.6-56.9173.5000110.1H103 P294 N299 V308H103-I297 HydrophobicContact CB-CD1 3.75Å; H103-I297 HydrophobicContact CB-CG2 4.26Å; P294-I297 HydrophobicContact CB-CD1 4.12Å; P294-I297 HydrophobicContact CB-CG1 4.33Å; P294-I297 HydrophobicContact CG-CD1 4.25Å; I297-N299 PolarHBondContact O-N 3Å; I297-V308 WeakPolarHBondContact O-CG2 3.36Å
298V96.4Very high96.8Very high80 Ų8041.4 Ų41.449%0.48522%0.216SC..  trans-72.2115.3166.7-1780000109.1V308 I313V298-V308 HydrophobicContact CG2-CG1 4.21Å; V298-I313 HydrophobicContact CG2-CD1 3.28Å; V298-I313 HydrophobicContact CG2-CG1 4.01Å; V298-I313 HydrophobicContact CG2-CG2 4.39Å
299N95.1Very high96.5Very high5 Ų542.9 Ų42.93%0.02723%0.225CC..  trans-88.7114.2-178.6-168.3-26.2000110.8A101 I297 E301 L302 N305A101-N299 PolarHBondContact O-ND2 3.14Å; I297-N299 PolarHBondContact O-N 3Å; N299-E301 PolarHBondContact O-N 3.26Å; N299-E301 WeakPolarHBondContact OD1-CA 3.45Å; N299-E301 WeakPolarHBondContact OD1-CB 3.4Å; N299-E301 PolarHBondContact OD1-N 3.45Å; N299-L302 HydrophobicContact CB-CB 4.27Å; N299-L302 HydrophobicContact CB-CD1 3.89Å; N299-L302 HydrophobicContact CB-CG 4.12Å; N299-L302 PolarHBondContact O-N 2.94Å; N299-L302 VanDerWaalsContact O-N 3.09Å; N299-N305 PolarHBondContact N-OD1 2.54Å; N299-N305 PolarHBondContact O-ND2 3.45Å; N299-N305 VanDerWaalsContact O-ND2 3.1Å
300E94.4Very high96Very high144 Ų14448.4 Ų48.467%0.67326%0.255SS*.THydrogen-bonded Turntrans-62.6-20.1176.8-65.6-173.4169.500113.1K207 K213K207-E300 IonicContact NZ-OE2 2.68Å; K213-E300 PolarHBondContact NZ-O 3.26Å
301E94.3Very high95.6Very high27 Ų2752.1 Ų52.113%0.12627%0.274CS..THydrogen-bonded Turntrans-90.72178-54.1-171175.600112.5N200 K213 L214 N299N200-E301 VanDerWaalsContact CB-OE1 3.24Å; N200-E301 WeakPolarHBondContact CB-OE1 3.13Å; N200-E301 WeakPolarHBondContact CB-OE2 3.49Å; N200-E301 PolarHBondContact ND2-OE1 2.92Å; K213-E301 CarbonylContact C-O 3.55Å; K213-E301 WeakPolarHBondContact CA-O 3.4Å; L214-E301 HydrophobicContact CD1-CB 4.1Å; L214-E301 HydrophobicContact CD2-CB 4.45Å; L214-E301 HydrophobicContact CG-CB 3.85Å; L214-E301 PolarHBondContact N-O 2.71Å; N299-E301 PolarHBondContact O-N 3.26Å; N299-E301 WeakPolarHBondContact OD1-CA 3.45Å; N299-E301 WeakPolarHBondContact OD1-CB 3.4Å; N299-E301 PolarHBondContact OD1-N 3.45Å
302L96.8Very high94.9Very high6 Ų655.8 Ų55.83%0.03129%0.294CS..  trans-108.6139.1171.4-69.6171.6000111.2T121 L214 D215 N299 N305T121-L302 HydrophobicContact CG2-CD1 3.9Å; L214-L302 HydrophobicContact CB-CD2 3.88Å; L214-L302 HydrophobicContact CD1-CD2 4.37Å; D215-L302 HydrophobicContact CB-CD2 3.77Å; D215-L302 WeakPolarHBondContact OD1-CA 3.36Å; N299-L302 HydrophobicContact CB-CB 4.27Å; N299-L302 HydrophobicContact CB-CD1 3.89Å; N299-L302 HydrophobicContact CB-CG 4.12Å; N299-L302 PolarHBondContact O-N 2.94Å; N299-L302 VanDerWaalsContact O-N 3.09Å; L302-N305 PolarHBondContact O-ND2 3.45Å
303I97.1Very high93.9Very high115 Ų11559 Ų5959%0.5931%0.31SS*.SBendtrans-75.9-43.9164.4-62.5-175.4000108.9K213 D215 D216K213-I303 HydrophobicContact CB-CG1 4.29Å; K213-I303 HydrophobicContact CD-CG1 4.11Å; K213-I303 HydrophobicContact CG-CD1 4.34Å; K213-I303 HydrophobicContact CG-CG1 3.95Å; D215-I303 PolarHBondContact OD1-N 3.49Å; D215-I303 PolarHBondContact OD2-N 3.44Å; D216-I303 HydrophobicContact CB-CD1 3.4Å; D216-I303 VanDerWaalsContact CB-CD1 3.4Å; D216-I303 HydrophobicContact CB-CG1 4.3Å
304N96.4Very high92.1Very high35 Ų3567.3 Ų67.319%0.18735%0.349CS..  trans-98.6108.2-179.9-173.7-56.2000111.3D215 R287 D306D215-N304 WeakPolarHBondContact OD2-CB 3.46Å; D215-N304 PolarHBondContact OD2-N 2.67Å; R287-N304 VanDerWaalsContact NH2-CG 3.31Å; R287-N304 PolarHBondContact NH2-ND2 2.85Å; R287-N304 VanDerWaalsContact NH2-ND2 3.16Å; N304-D306 PolarHBondContact ND2-OD2 2.84Å; N304-D306 VanDerWaalsContact OD1-CB 3.28Å; N304-D306 WeakPolarHBondContact OD1-CB 3.41Å; N304-D306 PolarHBondContact OD1-N 3.01Å; N304-D306 PolarHBondContact OD1-OD2 3.21Å
305N97.2Very high89.7Confident38 Ų3878.3 Ų78.320%0.20340%0.4CS..  trans-106.525.9174.1-80.6-81.4000112.3N299 L302 H307 V308N299-N305 PolarHBondContact N-OD1 2.54Å; N299-N305 PolarHBondContact O-ND2 3.45Å; N299-N305 VanDerWaalsContact O-ND2 3.1Å; L302-N305 PolarHBondContact O-ND2 3.45Å; N305-H307 PolarHBondContact O-N 2.99Å; N305-V308 HydrophobicContact CB-CG2 4.01Å; N305-V308 WeakPolarHBondContact O-CB 3.45Å; N305-V308 WeakPolarHBondContact O-CG2 3.42Å; N305-V308 PolarHBondContact O-N 3.38Å
306D95.8Very high89.3Confident139 Ų13981.4 Ų81.474%0.74342%0.415SS*.THydrogen-bonded Turntrans-63.5-9.4-177.4-60.5-20.5000113.7N304N304-D306 PolarHBondContact ND2-OD2 2.84Å; N304-D306 VanDerWaalsContact OD1-CB 3.28Å; N304-D306 WeakPolarHBondContact OD1-CB 3.41Å; N304-D306 PolarHBondContact OD1-N 3.01Å; N304-D306 PolarHBondContact OD1-OD2 3.21Å
307H95.7Very high88.9Confident12 Ų1281.1 Ų81.16%0.05641%0.413CS..THydrogen-bonded Turntrans-83.6-16.1176.266.9-77.2000113.1H119 S120 P294 N305H119-H307 HydrophobicContact CB-CB 4.38Å; H119-H307 PolarHBondContact ND1-O 3.48Å; S120-H307 WeakPolarHBondContact O-CB 3.22Å; P294-H307 PolarHBondContact O-CD2 3.41Å; N305-H307 PolarHBondContact O-N 2.99Å
308V95.6Very high88.6Confident16 Ų1682.3 Ų82.310%0.09742%0.419CS..SBendtrans-84.7135.2-178.6-167.80000109.1N295 I297 V298 N305 I313N295-V308 CarbonylContact O-C 3.56Å; N295-V308 WeakPolarHBondContact O-CA 3.08Å; N295-V308 WeakPolarHBondContact O-CG1 3.39Å; I297-V308 WeakPolarHBondContact O-CG2 3.36Å; V298-V308 HydrophobicContact CG2-CG1 4.21Å; N305-V308 HydrophobicContact CB-CG2 4.01Å; N305-V308 WeakPolarHBondContact O-CB 3.45Å; N305-V308 WeakPolarHBondContact O-CG2 3.42Å; N305-V308 PolarHBondContact O-N 3.38Å; V308-I313 HydrophobicContact CG1-CD1 3.6Å; V308-I313 HydrophobicContact CG1-CG1 3.9Å
309D92.3Very high88.1Confident61 Ų6182.5 Ų82.533%0.32642%0.415SS..  trans-88.3114174.8-170.3-23.9000109.1N295 N311 L312N295-D309 PolarHBondContact O-N 3.13Å; D309-N311 PolarHBondContact O-N 3.03Å; D309-N311 WeakPolarHBondContact OD1-CB 3.44Å; D309-N311 PolarHBondContact OD1-N 3.14Å; D309-N311 PolarHBondContact OD1-ND2 2.79Å; D309-L312 HydrophobicContact CB-CD1 3.9Å; D309-L312 HydrophobicContact CB-CG 4.06Å; D309-L312 PolarHBondContact O-N 3.03Å
310D87.8Confident87.7Confident119 Ų11987.3 Ų87.364%0.63644%0.439SS*.Hα-helixtrans-53.3-28.6-179.7-68.6-30.4000112.8L312D310-L312 VanDerWaalsContact C-N 3.29Å; D310-L312 PolarHBondContact O-N 2.73Å
311N88.9Confident87.2Confident122 Ų12283.5 Ų83.565%0.65242%0.424SS*.Hα-helixtrans-74.6-15.8-180-54.6-72.8000113.7D309D309-N311 PolarHBondContact O-N 3.03Å; D309-N311 WeakPolarHBondContact OD1-CB 3.44Å; D309-N311 PolarHBondContact OD1-N 3.14Å; D309-N311 PolarHBondContact OD1-ND2 2.79Å
312L84.5Confident86.7Confident78 Ų7887.6 Ų87.641%0.40845%0.445SS..Hα-helixtrans-90.5-15.2179.3-66.9175.5000113N295 D296 D309 D310N295-L312 WeakPolarHBondContact OD1-CD1 3.21Å; D296-L312 HydrophobicContact CB-CB 4.17Å; D296-L312 HydrophobicContact CB-CD1 4.28Å; D309-L312 HydrophobicContact CB-CD1 3.9Å; D309-L312 HydrophobicContact CB-CG 4.06Å; D309-L312 PolarHBondContact O-N 3.03Å; D310-L312 VanDerWaalsContact C-N 3.29Å; D310-L312 PolarHBondContact O-N 2.73Å
313I77.8Confident85.9Confident71 Ų7193.8 Ų93.836%0.36448%0.477SS..Hα-helixtrans-90.4-23.9-177.8-50.6155.9000111.8V298 V308 E315V298-I313 HydrophobicContact CG2-CD1 3.28Å; V298-I313 HydrophobicContact CG2-CG1 4.01Å; V298-I313 HydrophobicContact CG2-CG2 4.39Å; V308-I313 HydrophobicContact CG1-CD1 3.6Å; V308-I313 HydrophobicContact CG1-CG1 3.9Å; I313-E315 VanDerWaalsContact C-N 3.32Å; I313-E315 PolarHBondContact O-N 2.72Å
314E60.8Low85Confident178 Ų17892.1 Ų92.183%0.83247%0.467SS*.  trans-856.5-174.2-67-166.816500114.8
315E47.3Very low84Confident236 Ų23697.3 Ų97.3100%1.10349%0.493SS*.  trans-100.30174.1-66.3-166.4164.300113.6I313I313-E315 VanDerWaalsContact C-N 3.32Å; I313-E315 PolarHBondContact O-N 2.72Å

Retrieved 315 of 315 residues in 559.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).