A0A3Q0KVF2_SCHMA Loading...

Prolyl oligopeptidase (S09 family)

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB , UniProt , Accession A0A3Q0KVF2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 421 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
1M38.2Very low83.1Confident238 Ų23866.8 Ų66.8100%1.17237%0.372SS*.  01190-79.4-176.9-9700106.6G3M1-G3 VanDerWaalsContact C-N 3.32Å; M1-G3 PolarHBondContact O-N 3.44Å
2I47Very low84.2Confident174 Ų17462.7 Ų62.789%0.89235%0.348SS*.  trans-64.7104.5166.3-63.5168.9000103.6H4I2-H4 PolarHBondContact O-N 3.37Å
3G68.8Low84.9Confident62 Ų6258.8 Ų58.864%0.63933%0.332SS*.PPolyproline II helixtrans-64.6131.1-174.600000109.1M1M1-G3 VanDerWaalsContact C-N 3.32Å; M1-G3 PolarHBondContact O-N 3.44Å
4H79Confident85.6Confident107 Ų10755.6 Ų55.650%0.49531%0.314SS..PPolyproline II helixtrans-55.2144168-63.1-70.6000109I2 Y112 Y394I2-H4 PolarHBondContact O-N 3.37Å; H4-Y112 AromaticContact ND1-CE2 3.98Å; H4-Y394 HydrophobicContact CB-CD1 4.19Å; H4-Y394 HydrophobicContact CB-CE1 3.48Å; H4-Y394 VanDerWaalsContact CB-CE1 3.48Å; H4-Y394 AromaticContact CD2-CD1 3.59Å; H4-Y394 AromaticContact CD2-CE1 3.79Å; H4-Y394 AromaticContact CD2-CG 3.88Å; H4-Y394 AromaticContact CG-CD1 3.87Å; H4-Y394 AromaticContact CG-CE1 3.68Å
5L93.1Very high86.1Confident83 Ų8352.1 Ų52.144%0.43530%0.296SS..PPolyproline II helixtrans-58153.6166-66.6-177.9000109.1A7 D110 Y394L5-A7 PolarHBondContact O-N 3.12Å; L5-D110 HydrophobicContact CD1-CB 3.91Å; L5-Y394 PolarHBondContact O-OH 3.5Å
6P96.3Very high86.7Confident65 Ų6553.4 Ų53.442%0.42230%0.295SS..PPolyproline II helixtrans-50.6130.6177.4-27.435.1000110.8Y21 H111P6-Y21 HydrophobicContact CB-CD1 4.42Å; P6-H111 PolarHBondContact O-ND1 3.29Å
7A98Very high87.3Confident0 Ų050.3 Ų50.30%028%0.278CS..PPolyproline II helixtrans-61150.7176.700000110.9L5 Y21 A22 Y112 A388 F393L5-A7 PolarHBondContact O-N 3.12Å; A7-Y21 CarbonylContact O-C 3.46Å; A7-Y21 WeakPolarHBondContact O-CA 3.48Å; A7-A22 HydrophobicContact CB-CB 4.15Å; A7-A22 WeakPolarHBondContact O-CB 3.48Å; A7-A22 PolarHBondContact O-N 2.94Å; A7-Y112 CarbonylContact C-O 3.57Å; A7-Y112 VanDerWaalsContact CA-O 3.23Å; A7-Y112 WeakPolarHBondContact CA-O 3.29Å; A7-Y112 WeakPolarHBondContact CB-O 3.33Å; A7-A388 HydrophobicContact CB-CB 4.08Å; A7-F393 HydrophobicContact CB-CD1 4.3Å; A7-F393 HydrophobicContact CB-CE1 3.52Å; A7-F393 HydrophobicContact CB-CZ 4.11Å
8I98.5Very high87.9Confident0 Ų049.3 Ų49.30%027%0.27CS..EExtended strand (participates in β ladder)trans-90.6132.2175.2-71.6164.5000109I10 Y21 L104 A106 H111 Y112 F113 L114I8-I10 HydrophobicContact CG2-CD1 3.83Å; I8-I10 HydrophobicContact CG2-CG1 3.78Å; I8-Y21 HydrophobicContact CD1-CE1 4.04Å; I8-Y21 HydrophobicContact CG1-CD1 3.71Å; I8-Y21 HydrophobicContact CG1-CE1 3.56Å; I8-L104 HydrophobicContact CB-CD1 4.49Å; I8-L104 HydrophobicContact CD1-CD1 4.08Å; I8-L104 HydrophobicContact CG1-CD1 4.22Å; I8-L104 HydrophobicContact CG2-CD1 3.47Å; I8-L104 VanDerWaalsContact CG2-CD1 3.47Å; I8-A106 HydrophobicContact CD1-CB 3.6Å; I8-H111 HydrophobicContact CD1-CB 3.62Å; I8-H111 HydrophobicContact CG1-CB 4.07Å; I8-Y112 PolarHBondContact N-O 3.28Å; I8-F113 HydrophobicContact CB-CD1 3.76Å; I8-F113 HydrophobicContact CB-CE1 3.71Å; I8-F113 HydrophobicContact CB-CG 4.23Å; I8-F113 HydrophobicContact CB-CZ 4.12Å; I8-F113 HydrophobicContact CD1-CE1 3.75Å; I8-F113 HydrophobicContact CD1-CE2 3.94Å; I8-F113 HydrophobicContact CD1-CZ 3.38Å; I8-F113 HydrophobicContact CG1-CE1 4.34Å; I8-F113 HydrophobicContact CG1-CZ 4.33Å; I8-F113 HydrophobicContact CG2-CD1 3.59Å; I8-F113 HydrophobicContact CG2-CE1 3.44Å; I8-F113 VanDerWaalsContact CG2-CE1 3.44Å; I8-F113 HydrophobicContact CG2-CZ 4.25Å; I8-F113 CarbonylContact O-C 3.57Å; I8-F113 WeakPolarHBondContact O-CA 3.23Å; I8-L114 PolarHBondContact O-N 2.61Å
9V98.6Very high88.5Confident0 Ų046.8 Ų46.80%026%0.256CS..EExtended strand (participates in β ladder)trans-116119.9179.8-176.40000109.1G20 A22 L114 W381 A388V9-G20 PolarHBondContact N-O 3.37Å; V9-G20 PolarHBondContact O-N 3.35Å; V9-A22 HydrophobicContact CG2-CB 4.06Å; V9-L114 WeakPolarHBondContact CA-O 3.39Å; V9-L114 HydrophobicContact CG1-CD2 4.25Å; V9-L114 HydrophobicContact CG2-CB 4.33Å; V9-W381 HydrophobicContact CB-CZ2 4.38Å; V9-W381 HydrophobicContact CG1-CD2 4.45Å; V9-W381 HydrophobicContact CG1-CG 4.2Å; V9-W381 PolarHBondContact O-NE1 2.95Å; V9-A388 HydrophobicContact CG2-CB 4.06Å
10I98.4Very high88.9Confident0 Ų044.5 Ų44.50%024%0.243CC..EExtended strand (participates in β ladder)trans-127.7112.4179.7-58170.8000109.3I8 N12 I19 M96 L99 F113 L114 L115 T116I8-I10 HydrophobicContact CG2-CD1 3.83Å; I8-I10 HydrophobicContact CG2-CG1 3.78Å; I10-N12 VanDerWaalsContact CG2-ND2 3.32Å; I10-N12 WeakPolarHBondContact CG2-ND2 3.4Å; I10-I19 HydrophobicContact CG1-CG1 4.48Å; I10-I19 HydrophobicContact CG1-CG2 4.17Å; I10-I19 HydrophobicContact CG2-CG1 4.21Å; I10-M96 HydrophobicContact CD1-CE 3.63Å; I10-M96 HydrophobicContact CD1-SD 4.49Å; I10-L99 HydrophobicContact CG2-CD1 4.07Å; I10-F113 HydrophobicContact CD1-CD1 4.2Å; I10-F113 HydrophobicContact CD1-CE1 4.14Å; I10-L114 PolarHBondContact N-O 3.04Å; I10-L115 HydrophobicContact CB-CD2 3.65Å; I10-L115 HydrophobicContact CD1-CD2 4.06Å; I10-L115 HydrophobicContact CG1-CD2 4.22Å; I10-L115 HydrophobicContact CG2-CD2 4.39Å; I10-T116 PolarHBondContact O-N 2.9Å
11D97.7Very high89.4Confident6 Ų644.2 Ų44.23%0.03224%0.239CC..EExtended strand (participates in β ladder)trans-98.5102.8168.9169.536.4000109.2S17 K18 T116 V380 W381D11-S17 CarbonylContact O-C 3.48Å; D11-S17 VanDerWaalsContact O-CA 3.22Å; D11-S17 WeakPolarHBondContact O-CA 3.43Å; D11-K18 HydrophobicContact CB-CB 4.46Å; D11-K18 HydrophobicContact CB-CD 4.16Å; D11-K18 PolarHBondContact N-O 3.31Å; D11-K18 PolarHBondContact O-N 2.85Å; D11-K18 WeakPolarHBondContact OD2-CD 3.15Å; D11-K18 IonicContact OD2-NZ 3.59Å; D11-K18 PolarHBondContact OD2-NZ 3.01Å; D11-T116 WeakPolarHBondContact CA-OG1 3.39Å; D11-T116 HydrophobicContact CB-CG2 3.89Å; D11-T116 PolarHBondContact OD1-OG1 3.15Å; D11-V380 HydrophobicContact CB-CG1 4.2Å; D11-W381 HydrophobicContact CB-CB 4.07Å
12N96.2Very high92.2Very high17 Ų1733.2 Ų33.29%0.09119%0.186CC..EExtended strand (participates in β ladder)trans-93104.2179-77-47.5000110.6I10 S17 I81 M92 T116I10-N12 VanDerWaalsContact CG2-ND2 3.32Å; I10-N12 WeakPolarHBondContact CG2-ND2 3.4Å; N12-S17 WeakPolarHBondContact OD1-CB 3.15Å; N12-S17 PolarHBondContact OD1-OG 3.01Å; N12-I81 HydrophobicContact CB-CD1 3.72Å; N12-M92 HydrophobicContact CB-CE 4.41Å; N12-M92 VanDerWaalsContact ND2-CE 3.3Å; N12-M92 WeakPolarHBondContact ND2-CE 3.34Å; N12-T116 PolarHBondContact N-OG1 3.35Å
13G94Very high94.4Very high13 Ų1327.1 Ų27.113%0.13417%0.166CC..  trans-96.2173.3176.600000113.3G15 Y16 S33G13-G15 PolarHBondContact O-N 3.48Å; G13-Y16 WeakPolarHBondContact CA-O 3.43Å; G13-Y16 PolarHBondContact N-O 3.23Å; G13-Y16 VanDerWaalsContact N-O 3.14Å; G13-S33 WeakPolarHBondContact O-CB 3.46Å; G13-S33 PolarHBondContact O-OG 2.93Å
14T94Very high95.7Very high13 Ų1327.4 Ų27.48%0.0815%0.153CC..SBendtrans-65.3-37.2175.2-54.50000113.4G84T14-G84 PolarHBondContact OG1-N 3.14Å
15G93.6Very high96.5Very high4 Ų425.9 Ų25.94%0.04115%0.152CC..SBendtrans-102-37.3-179.100000113.4G13 P32 S33G13-G15 PolarHBondContact O-N 3.48Å; G15-P32 WeakPolarHBondContact O-CA 3.31Å; G15-S33 PolarHBondContact O-N 3Å
16Y96.1Very high96.6Very high73 Ų7327.8 Ų27.829%0.28616%0.158SC..EExtended strand (participates in β ladder)trans-142.8134.2-171.4-69-83.4000111.8G13 K18 I30 I31 P32 S33 K228G13-Y16 WeakPolarHBondContact CA-O 3.43Å; G13-Y16 PolarHBondContact N-O 3.23Å; G13-Y16 VanDerWaalsContact N-O 3.14Å; Y16-K18 WeakPolarHBondContact O-CE 3.45Å; Y16-K18 PolarHBondContact O-NZ 2.96Å; Y16-I30 HydrophobicContact CD1-CG2 4.13Å; Y16-I30 HydrophobicContact CG-CG2 4.45Å; Y16-I31 CarbonylContact C-O 3.53Å; Y16-I31 VanDerWaalsContact CA-O 3.3Å; Y16-I31 WeakPolarHBondContact CA-O 3.4Å; Y16-P32 HydrophobicContact CE1-CG 4.07Å; Y16-S33 VanDerWaalsContact CA-OG 3.29Å; Y16-S33 WeakPolarHBondContact CA-OG 3.36Å; Y16-S33 PolarHBondContact N-OG 3.34Å; Y16-K228 PolarHBondContact OH-NZ 3.49Å
17S97.5Very high96.6Very high0 Ų025.5 Ų25.50%014%0.143CC..EExtended strand (participates in β ladder)trans-98.7136.3170.1-64.60000108.8D11 N12 I19 I30 I31 S33 Y95D11-S17 CarbonylContact O-C 3.48Å; D11-S17 VanDerWaalsContact O-CA 3.22Å; D11-S17 WeakPolarHBondContact O-CA 3.43Å; N12-S17 WeakPolarHBondContact OD1-CB 3.15Å; N12-S17 PolarHBondContact OD1-OG 3.01Å; S17-I19 WeakPolarHBondContact O-CD1 3.4Å; S17-I30 WeakPolarHBondContact O-CA 3.32Å; S17-I31 PolarHBondContact N-O 3.38Å; S17-I31 PolarHBondContact O-N 2.93Å; S17-S33 PolarHBondContact N-OG 3.14Å; S17-S33 PolarHBondContact OG-OG 3.19Å; S17-Y95 VanDerWaalsContact CB-OH 3.3Å; S17-Y95 WeakPolarHBondContact CB-OH 3.14Å; S17-Y95 PolarHBondContact OG-OH 3.41Å
18K98Very high96.6Very high33 Ų3330.2 Ų30.214%0.14317%0.165CC..EExtended strand (participates in β ladder)trans-116.9127.7176.4-52.795.9-167.4167.20108.2D11 Y16 P27 S29 I30 W381D11-K18 HydrophobicContact CB-CB 4.46Å; D11-K18 HydrophobicContact CB-CD 4.16Å; D11-K18 PolarHBondContact N-O 3.31Å; D11-K18 PolarHBondContact O-N 2.85Å; D11-K18 WeakPolarHBondContact OD2-CD 3.15Å; D11-K18 IonicContact OD2-NZ 3.59Å; D11-K18 PolarHBondContact OD2-NZ 3.01Å; Y16-K18 WeakPolarHBondContact O-CE 3.45Å; Y16-K18 PolarHBondContact O-NZ 2.96Å; K18-P27 HydrophobicContact CB-CB 3.87Å; K18-P27 HydrophobicContact CB-CG 3.72Å; K18-P27 HydrophobicContact CG-CG 4.24Å; K18-S29 WeakPolarHBondContact CA-O 3.47Å; K18-I30 HydrophobicContact CB-CG1 4.29Å; K18-I30 HydrophobicContact CG-CB 4.42Å; K18-I30 HydrophobicContact CG-CD1 4.3Å; K18-I30 HydrophobicContact CG-CG1 3.84Å; K18-I30 HydrophobicContact CG-CG2 4.08Å; K18-W381 HydrophobicContact CB-CB 4.11Å; K18-W381 HydrophobicContact CB-CG 4.01Å
19I97.9Very high96.5Very high1 Ų131.7 Ų31.71%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-134.3135.2-165-56.8101.9000108.7I10 S17 Q28 S29 I31 L99 L103 L104I10-I19 HydrophobicContact CG1-CG1 4.48Å; I10-I19 HydrophobicContact CG1-CG2 4.17Å; I10-I19 HydrophobicContact CG2-CG1 4.21Å; S17-I19 WeakPolarHBondContact O-CD1 3.4Å; I19-Q28 PolarHBondContact O-N 3.3Å; I19-S29 PolarHBondContact N-O 3.27Å; I19-S29 PolarHBondContact O-N 3.46Å; I19-I31 HydrophobicContact CD1-CD1 4.49Å; I19-I31 HydrophobicContact CD1-CG1 4Å; I19-L99 HydrophobicContact CD1-CD1 4.42Å; I19-L99 HydrophobicContact CD1-CD2 3.59Å; I19-L99 HydrophobicContact CG1-CD1 4.06Å; I19-L99 HydrophobicContact CG1-CD2 3.84Å; I19-L99 HydrophobicContact CG1-CG 4.49Å; I19-L103 HydrophobicContact CB-CD2 4.36Å; I19-L103 HydrophobicContact CD1-CD2 4.03Å; I19-L103 HydrophobicContact CG1-CD2 4.48Å; I19-L103 HydrophobicContact CG2-CD2 4.48Å; I19-L104 HydrophobicContact CG2-CD1 3.59Å; I19-L104 HydrophobicContact CG2-CD2 3.68Å; I19-L104 HydrophobicContact CG2-CG 3.54Å
20G98.2Very high96.4Very high0 Ų035.3 Ų35.30%019%0.194CC..EExtended strand (participates in β ladder)trans175-174.5165.200000113.9V9V9-G20 PolarHBondContact N-O 3.37Å; V9-G20 PolarHBondContact O-N 3.35Å
21Y98Very high96.3Very high40 Ų4036.2 Ų36.216%0.15720%0.199CC..EExtended strand (participates in β ladder)trans-86145.4176.1-58.5-79.5000112.5P6 A7 I8 N24 Q28 L104 H111P6-Y21 HydrophobicContact CB-CD1 4.42Å; A7-Y21 CarbonylContact O-C 3.46Å; A7-Y21 WeakPolarHBondContact O-CA 3.48Å; I8-Y21 HydrophobicContact CD1-CE1 4.04Å; I8-Y21 HydrophobicContact CG1-CD1 3.71Å; I8-Y21 HydrophobicContact CG1-CE1 3.56Å; Y21-N24 WeakPolarHBondContact O-CB 3.44Å; Y21-N24 PolarHBondContact O-N 3.33Å; Y21-N24 PolarHBondContact O-ND2 3.14Å; Y21-Q28 VanDerWaalsContact CD2-NE2 3.26Å; Y21-L104 HydrophobicContact CD2-CD2 4.46Å; Y21-L104 HydrophobicContact CE2-CD2 3.95Å; Y21-L104 PolarHBondContact OH-O 3.22Å; Y21-H111 AromaticContact CE1-CE1 3.54Å; Y21-H111 AromaticContact CE1-ND1 3.84Å
22A97.1Very high96.3Very high7 Ų736 Ų366%0.05820%0.198CC..THydrogen-bonded Turntrans-55.6152.4171.300000112A7 V9 N24 A388 N389A7-A22 HydrophobicContact CB-CB 4.15Å; A7-A22 WeakPolarHBondContact O-CB 3.48Å; A7-A22 PolarHBondContact O-N 2.94Å; V9-A22 HydrophobicContact CG2-CB 4.06Å; A22-N24 PolarHBondContact O-N 3.38Å; A22-A388 HydrophobicContact CB-CB 3.7Å; A22-N389 HydrophobicContact CB-CB 4.49Å
23G94.3Very high96.4Very high46 Ų4635.2 Ų35.247%0.47419%0.194SC..THydrogen-bonded Turntrans84-16.9-174.500000114.4S385G23-S385 PolarHBondContact N-O 2.93Å; G23-S385 PolarHBondContact N-OG 2.81Å
24N96Very high96.5Very high68 Ų6834.6 Ų34.636%0.36419%0.187SC..  trans-78.7146.1172.1-67.5-55.9000111.5Y21 A22 W381 S385Y21-N24 WeakPolarHBondContact O-CB 3.44Å; Y21-N24 PolarHBondContact O-N 3.33Å; Y21-N24 PolarHBondContact O-ND2 3.14Å; A22-N24 PolarHBondContact O-N 3.38Å; N24-W381 HydrophobicContact CB-CH2 4.02Å; N24-W381 WeakPolarHBondContact O-CZ3 3.35Å; N24-S385 PolarHBondContact N-OG 3.19Å; N24-S385 WeakPolarHBondContact O-CB 3.41Å; N24-S385 PolarHBondContact O-OG 3.02Å
25T94.3Very high96.7Very high75 Ų7534 Ų3446%0.4618%0.184SC..SBendtrans-79-31.1178.6-520000112.9M375 Y378 F382T25-M375 HydrophobicContact CG2-CE 3.42Å; T25-M375 VanDerWaalsContact CG2-CE 3.42Å; T25-M375 HydrophobicContact CG2-SD 3.95Å; T25-Y378 WeakPolarHBondContact O-CE2 3.46Å; T25-F382 HydrophobicContact CG2-CD2 4.35Å; T25-F382 HydrophobicContact CG2-CE2 3.96Å; T25-F382 VanDerWaalsContact O-CD2 3.31Å; T25-F382 WeakPolarHBondContact O-CD2 3.38Å
26E96Very high96.8Very high123 Ų12333.8 Ų33.858%0.57518%0.182SC*.SBendtrans-123150.4178.7-46.7-155.7131.500110.5Y378 W381E26-Y378 VanDerWaalsContact CG-OH 3.29Å; E26-Y378 WeakPolarHBondContact CG-OH 3.26Å; E26-Y378 PolarHBondContact OE1-OH 3.4Å; E26-W381 VanDerWaalsContact C-CH2 3.48Å; E26-W381 VanDerWaalsContact O-CH2 3.26Å; E26-W381 WeakPolarHBondContact O-CH2 3.21Å; E26-W381 WeakPolarHBondContact O-CZ3 3.14Å
27P97.3Very high96.7Very high16 Ų1631.4 Ų31.410%0.10418%0.175CC..  trans-59.5139.7171.5-13.123.5000110.3K18 S29 I30 Y378 W381K18-P27 HydrophobicContact CB-CB 3.87Å; K18-P27 HydrophobicContact CB-CG 3.72Å; K18-P27 HydrophobicContact CG-CG 4.24Å; P27-S29 PolarHBondContact O-N 3.14Å; P27-I30 HydrophobicContact CB-CG1 4.02Å; P27-I30 HydrophobicContact CG-CD1 4.16Å; P27-I30 HydrophobicContact CG-CG1 4.06Å; P27-Y378 HydrophobicContact CG-CD2 4.42Å; P27-Y378 HydrophobicContact CG-CG 4.14Å; P27-W381 HydrophobicContact CB-CD2 3.89Å; P27-W381 HydrophobicContact CB-CE3 4.2Å; P27-W381 HydrophobicContact CB-CG 4.31Å; P27-W381 HydrophobicContact CB-CZ2 4.29Å; P27-W381 HydrophobicContact CG-CB 4.37Å; P27-W381 HydrophobicContact CG-CD2 3.57Å; P27-W381 HydrophobicContact CG-CE3 3.62Å; P27-W381 HydrophobicContact CG-CG 3.89Å; P27-W381 HydrophobicContact CG-CZ3 4.25Å; P27-W381 VanDerWaalsContact N-CZ3 3.3Å
28Q96.4Very high96.3Very high99 Ų9935 Ų3546%0.46319%0.19SC..SBendtrans-69-24.7175.5-68.4165.5-66.400111.7I19 Y21I19-Q28 PolarHBondContact O-N 3.3Å; Y21-Q28 VanDerWaalsContact CD2-NE2 3.26Å
29S96.7Very high95.3Very high32 Ų3238 Ų3822%0.22420%0.204CC..EExtended strand (participates in β ladder)trans-147.8140.1175.3-67.90000111.1K18 I19 P27 L103K18-S29 WeakPolarHBondContact CA-O 3.47Å; I19-S29 PolarHBondContact N-O 3.27Å; I19-S29 PolarHBondContact O-N 3.46Å; P27-S29 PolarHBondContact O-N 3.14Å; S29-L103 WeakPolarHBondContact OG-CD1 3.32Å
30I97Very high93.8Very high75 Ų7543.3 Ų43.339%0.38523%0.226SC..EExtended strand (participates in β ladder)trans-125.9108.1170.6-58177.1000105.8Y16 S17 K18 P27Y16-I30 HydrophobicContact CD1-CG2 4.13Å; Y16-I30 HydrophobicContact CG-CG2 4.45Å; S17-I30 WeakPolarHBondContact O-CA 3.32Å; K18-I30 HydrophobicContact CB-CG1 4.29Å; K18-I30 HydrophobicContact CG-CB 4.42Å; K18-I30 HydrophobicContact CG-CD1 4.3Å; K18-I30 HydrophobicContact CG-CG1 3.84Å; K18-I30 HydrophobicContact CG-CG2 4.08Å; P27-I30 HydrophobicContact CB-CG1 4.02Å; P27-I30 HydrophobicContact CG-CD1 4.16Å; P27-I30 HydrophobicContact CG-CG1 4.06Å
31I97.2Very high91.3Very high19 Ų1947.5 Ų47.510%0.09726%0.255CS..EExtended strand (participates in β ladder)trans-123.7153.7-175.565.6166.9000110.9Y16 S17 I19 S33 I62 Y95 L99 L103Y16-I31 CarbonylContact C-O 3.53Å; Y16-I31 VanDerWaalsContact CA-O 3.3Å; Y16-I31 WeakPolarHBondContact CA-O 3.4Å; S17-I31 PolarHBondContact N-O 3.38Å; S17-I31 PolarHBondContact O-N 2.93Å; I19-I31 HydrophobicContact CD1-CD1 4.49Å; I19-I31 HydrophobicContact CD1-CG1 4Å; I31-S33 PolarHBondContact O-N 3.08Å; I31-I62 HydrophobicContact CD1-CD1 3.68Å; I31-I62 HydrophobicContact CD1-CG1 4.05Å; I31-Y95 HydrophobicContact CD1-CE2 4.48Å; I31-Y95 WeakPolarHBondContact CD1-OH 3.36Å; I31-Y95 WeakPolarHBondContact CG1-OH 3.15Å; I31-L99 HydrophobicContact CD1-CD2 3.63Å; I31-L99 HydrophobicContact CG1-CD2 4.41Å; I31-L103 HydrophobicContact CD1-CD2 4.24Å
32P97Very high88.7Confident2 Ų254.8 Ų54.81%0.01329%0.287CS..EExtended strand (participates in β ladder)trans-52.9136.5169.1-25.733.5000112.2G15 Y16 C34 G63 D64 L67 W79 Y95G15-P32 WeakPolarHBondContact O-CA 3.31Å; Y16-P32 HydrophobicContact CE1-CG 4.07Å; P32-C34 PolarHBondContact O-N 3.32Å; P32-G63 WeakPolarHBondContact O-CA 3.01Å; P32-D64 WeakPolarHBondContact CD-OD1 3.46Å; P32-D64 WeakPolarHBondContact CG-OD1 3.32Å; P32-L67 HydrophobicContact CB-CD1 3.99Å; P32-L67 HydrophobicContact CB-CG 4.48Å; P32-L67 HydrophobicContact CG-CD1 3.63Å; P32-L67 HydrophobicContact CG-CG 4.45Å; P32-W79 HydrophobicContact CB-CH2 4.24Å; P32-W79 HydrophobicContact CB-CZ3 4.49Å; P32-Y95 PolarHBondContact O-OH 2.76Å; P32-Y95 VanDerWaalsContact O-OH 3.12Å
33S97.4Very high85.9Confident1 Ų161.5 Ų61.51%0.00733%0.327CS..SBendtrans-80.751.5178-55.90000111.9G13 G15 Y16 S17 I31 W79G13-S33 WeakPolarHBondContact O-CB 3.46Å; G13-S33 PolarHBondContact O-OG 2.93Å; G15-S33 PolarHBondContact O-N 3Å; Y16-S33 VanDerWaalsContact CA-OG 3.29Å; Y16-S33 WeakPolarHBondContact CA-OG 3.36Å; Y16-S33 PolarHBondContact N-OG 3.34Å; S17-S33 PolarHBondContact N-OG 3.14Å; S17-S33 PolarHBondContact OG-OG 3.19Å; I31-S33 PolarHBondContact O-N 3.08Å; S33-W79 VanDerWaalsContact O-CE3 3.32Å
34C97.6Very high83.4Confident0 Ų062.8 Ų62.80%034%0.34CS..  trans-130.6155.2-177.968.20000112.1P32 I62 G63 V77 K78 W79 Y95P32-C34 PolarHBondContact O-N 3.32Å; C34-I62 WeakPolarHBondContact O-CA 3.13Å; C34-G63 PolarHBondContact O-N 3.43Å; C34-V77 HydrophobicContact CB-CG1 3.69Å; C34-K78 VanDerWaalsContact CA-O 3.31Å; C34-K78 WeakPolarHBondContact CA-O 3.48Å; C34-K78 WeakPolarHBondContact CB-O 3.28Å; C34-W79 HydrophobicContact CB-CD2 3.71Å; C34-W79 HydrophobicContact CB-CE3 3.71Å; C34-W79 HydrophobicContact CB-CG 4.39Å; C34-W79 HydrophobicContact CB-CH2 3.83Å; C34-W79 HydrophobicContact CB-CZ2 3.83Å; C34-W79 HydrophobicContact CB-CZ3 3.76Å; C34-Y95 WeakPolarHBondContact O-CE2 3.36Å
35I97.6Very high80.6Confident0 Ų063.9 Ų63.90%035%0.35CS..EExtended strand (participates in β ladder)trans-130.8131.7179.3-175.3171.1000109.3V37 F60 F61 I62 K78 L91 R94 Y95I35-V37 HydrophobicContact CD1-CG1 4.2Å; I35-V37 HydrophobicContact CG1-CG1 4.04Å; I35-F60 HydrophobicContact CD1-CB 4.1Å; I35-F60 HydrophobicContact CD1-CD2 3.53Å; I35-F60 HydrophobicContact CD1-CE2 4.15Å; I35-F60 HydrophobicContact CD1-CG 3.94Å; I35-F60 HydrophobicContact CG1-CB 4.09Å; I35-F60 HydrophobicContact CG1-CD2 3.96Å; I35-F60 HydrophobicContact CG1-CG 4.36Å; I35-F61 CarbonylContact C-O 3.5Å; I35-F61 VanDerWaalsContact CA-O 3.32Å; I35-F61 WeakPolarHBondContact CA-O 3.34Å; I35-I62 HydrophobicContact CB-CG2 4.33Å; I35-I62 HydrophobicContact CD1-CG2 4.45Å; I35-I62 HydrophobicContact CG1-CG2 4.13Å; I35-K78 HydrophobicContact CG2-CB 4.18Å; I35-K78 PolarHBondContact N-O 3.38Å; I35-K78 PolarHBondContact O-N 3.38Å; I35-L91 HydrophobicContact CD1-CD2 4.31Å; I35-L91 HydrophobicContact CG2-CB 4.12Å; I35-L91 HydrophobicContact CG2-CD1 4.08Å; I35-L91 HydrophobicContact CG2-CD2 4.04Å; I35-L91 HydrophobicContact CG2-CG 4.33Å; I35-R94 HydrophobicContact CD1-CB 3.78Å; I35-Y95 HydrophobicContact CB-CD2 4.43Å
36A96.4Very high78.1Confident0 Ų072.1 Ų72.10%037%0.372CS..EExtended strand (participates in β ladder)trans-95.9121.9172.500000109.1F60 F61 A66 L69 F75 S76 V77A36-F60 WeakPolarHBondContact O-CA 3.5Å; A36-F60 VanDerWaalsContact O-CB 3.3Å; A36-F60 WeakPolarHBondContact O-CB 3.27Å; A36-F61 PolarHBondContact N-O 2.98Å; A36-F61 PolarHBondContact O-N 3.14Å; A36-F61 VanDerWaalsContact O-N 3.13Å; A36-A66 HydrophobicContact CB-CB 3.68Å; A36-L69 HydrophobicContact CB-CB 4.48Å; A36-F75 HydrophobicContact CB-CB 4.37Å; A36-F75 HydrophobicContact CB-CD1 4.07Å; A36-S76 WeakPolarHBondContact CA-O 3.06Å; A36-V77 HydrophobicContact CB-CG2 4.23Å
37V93.4Very high75.6Confident23 Ų2373.5 Ų73.514%0.13938%0.379CS..EExtended strand (participates in β ladder)trans-123.4148.3178.4-63.90000110.4I35 F60 F75 S76 K78 L91I35-V37 HydrophobicContact CD1-CG1 4.2Å; I35-V37 HydrophobicContact CG1-CG1 4.04Å; V37-F60 HydrophobicContact CG1-CB 4.12Å; V37-F75 WeakPolarHBondContact O-CA 3.36Å; V37-S76 PolarHBondContact N-O 3.21Å; V37-S76 PolarHBondContact O-N 3.12Å; V37-K78 HydrophobicContact CG2-CG 3.94Å; V37-L91 HydrophobicContact CG1-CD2 3.76Å
38K88.4Confident73.1Confident76 Ų7676.9 Ų76.933%0.3340%0.399SS..EExtended strand (participates in β ladder)trans-69.9129.1175.8-82.1-175.5172.7177.90111.6Y40 D74 F75K38-Y40 HydrophobicContact CB-CD2 4.42Å; K38-Y40 HydrophobicContact CB-CE2 3.89Å; K38-Y40 HydrophobicContact CD-CE1 4.31Å; K38-Y40 VanDerWaalsContact CD-OH 3.29Å; K38-Y40 WeakPolarHBondContact CD-OH 3.46Å; K38-Y40 PolarHBondContact O-N 3.01Å; K38-D74 CarbonylContact C-O 3.55Å; K38-D74 WeakPolarHBondContact CA-O 3.46Å; K38-F75 HydrophobicContact CD-CZ 4.32Å; K38-F75 HydrophobicContact CG-CD1 4.08Å; K38-F75 HydrophobicContact CG-CD2 4.36Å; K38-F75 HydrophobicContact CG-CE1 3.76Å; K38-F75 HydrophobicContact CG-CE2 4.06Å; K38-F75 HydrophobicContact CG-CG 4.37Å; K38-F75 HydrophobicContact CG-CZ 3.74Å
39E77.3Confident70.7Confident94 Ų9482.4 Ų82.444%0.43942%0.415SS..  trans-88.896.7171-71.2-167.7162.600110.6S41 D74 S76 K78E39-S41 PolarHBondContact O-N 3.03Å; E39-D74 PolarHBondContact N-O 3.23Å; E39-S76 VanDerWaalsContact CG-OG 3.26Å; E39-S76 WeakPolarHBondContact CG-OG 3.48Å; E39-S76 WeakPolarHBondContact OE1-CB 3.35Å; E39-S76 PolarHBondContact OE1-OG 3.27Å; E39-S76 VanDerWaalsContact OE1-OG 3.11Å; E39-K78 IonicContact OE1-NZ 3.97Å; E39-K78 PolarHBondContact OE1-NZ 3.17Å
40Y65.3Low68.1Low114 Ų11492 Ų9245%0.44745%0.447SS..  trans-77.657.4170.1-61.6-71.7000111.2K38 D56K38-Y40 HydrophobicContact CB-CD2 4.42Å; K38-Y40 HydrophobicContact CB-CE2 3.89Å; K38-Y40 HydrophobicContact CD-CE1 4.31Å; K38-Y40 VanDerWaalsContact CD-OH 3.29Å; K38-Y40 WeakPolarHBondContact CD-OH 3.46Å; K38-Y40 PolarHBondContact O-N 3.01Å; Y40-D56 HydrophobicContact CE2-CB 4.24Å; Y40-D56 PolarHBondContact OH-OD1 2.95Å
41S45.9Very low65.6Low88 Ų8894.9 Ų94.962%0.61546%0.462SS*.  trans-15658.7-177.3-720000114.2E39E39-S41 PolarHBondContact O-N 3.03Å
42K44.7Very low63.2Low192 Ų19295.9 Ų95.984%0.83548%0.477SS*.SBendtrans-136.9110.5152.9-77.9-172.3-179167.30111.4
43V37.9Very low61Low149 Ų149100 Ų10090%0.90350%0.502SS*.SBendtrans62.8111.2152.4-165.20000117.9
44G40.8Very low59.1Low72 Ų72103.8 Ų103.874%0.74254%0.542SS*.SBendtrans131.1-34.1134.600000118.8
45T37.4Very low57.5Low92 Ų92109 Ų10956%0.56457%0.569SS**  trans-138109.5-172.340.10000112.5E47 V48T45-E47 PolarHBondContact O-N 3.12Å; T45-V48 PolarHBondContact O-N 2.93Å
46R43Very low56.1Low247 Ų247111.3 Ų111.393%0.93258%0.581SS**THydrogen-bonded Turntrans-57.3-5.4171.1-130171.8170.7179.1-4113.4
47E43.6Very low54.8Low153 Ų153115.8 Ų115.872%0.71561%0.605SS**THydrogen-bonded Turntrans-86.9-23.4-178.4-67.5-173.6147.700114.2T45T45-E47 PolarHBondContact O-N 3.12Å
48V44.5Very low54Low86 Ų86119 Ų11952%0.52162%0.621SS.*G310 helixtrans-79.1-22.1-176.1-175.40000113T45 R50 L51T45-V48 PolarHBondContact O-N 2.93Å; V48-R50 PolarHBondContact O-N 3.16Å; V48-L51 PolarHBondContact O-N 3.32Å; V48-L51 VanDerWaalsContact O-N 3.08Å
49R44.8Very low53.9Low215 Ų215118.7 Ų118.781%0.81162%0.623SS**G310 helixtrans-65.5-10.4175.3-77.5-171.6-174.7-177.80.5114.3
50R43.9Very low54.7Low234 Ų234114.4 Ų114.488%0.88360%0.603SS**G310 helixtrans-99.1-3175.5-72.3-174175.6-179.9-1.5114V48V48-R50 PolarHBondContact O-N 3.16Å
51L44.2Very low56.1Low136 Ų136112.2 Ų112.271%0.71260%0.596SS**  trans-112.69.1-176.5-86.1159.2000113.5V48 T53V48-L51 PolarHBondContact O-N 3.32Å; V48-L51 VanDerWaalsContact O-N 3.08Å; L51-T53 VanDerWaalsContact C-N 3.26Å; L51-T53 PolarHBondContact O-N 3.27Å
52G46.8Very low58.6Low39 Ų39108.6 Ų108.640%0.40257%0.57SS.*  trans-63.198.1160.400000107.6G54 D56G52-G54 PolarHBondContact O-N 2.91Å; G52-D56 WeakPolarHBondContact CA-OD2 3.21Å
53T49.2Very low61.1Low88 Ų8899.5 Ų99.554%0.5453%0.53SS..  trans-55.2140.8160.457.80000104.9L51 L55 D56L51-T53 VanDerWaalsContact C-N 3.26Å; L51-T53 PolarHBondContact O-N 3.27Å; T53-L55 PolarHBondContact O-N 3.45Å; T53-D56 PolarHBondContact O-N 2.9Å
54G57.8Low63.8Low82 Ų8297.3 Ų97.385%0.84551%0.513SS*.THydrogen-bonded Turntrans-57.69-176.900000115.9G52G52-G54 PolarHBondContact O-N 2.91Å
55L64.3Low66.4Low108 Ų10898.3 Ų98.357%0.56550%0.499SS*.THydrogen-bonded Turntrans-89.9-11.6173.5-65.9159.7000113.3T53 D57 L58T53-L55 PolarHBondContact O-N 3.45Å; L55-D57 PolarHBondContact O-N 3.15Å; L55-L58 HydrophobicContact CD2-CD1 3.79Å; L55-L58 WeakPolarHBondContact O-CB 3.3Å; L55-L58 PolarHBondContact O-N 2.87Å
56D67.8Low69.2Low49 Ų4994 Ų9426%0.26247%0.472SS..G310 helixtrans-59.6-31.8-179.4-89.9-24.3000112.8Y40 G52 T53 L58 N59Y40-D56 HydrophobicContact CE2-CB 4.24Å; Y40-D56 PolarHBondContact OH-OD1 2.95Å; G52-D56 WeakPolarHBondContact CA-OD2 3.21Å; T53-D56 PolarHBondContact O-N 2.9Å; D56-L58 PolarHBondContact O-N 2.86Å; D56-N59 PolarHBondContact O-N 2.88Å
57D70.2Confident71.6Confident94 Ų9485.7 Ų85.750%0.50345%0.446SS..G310 helixtrans-67.6-18.1176.4-79.2-31000113.9L55 F60 R94L55-D57 PolarHBondContact O-N 3.15Å; D57-F60 WeakPolarHBondContact O-CD1 3.4Å; D57-F60 WeakPolarHBondContact O-CE1 3.21Å; D57-R94 PolarHBondContact O-NH1 3.41Å; D57-R94 IonicContact OD1-CZ 3.3Å; D57-R94 IonicContact OD1-NH1 2.85Å; D57-R94 PolarHBondContact OD1-NH1 3.49Å; D57-R94 IonicContact OD1-NH2 2.76Å; D57-R94 PolarHBondContact OD1-NH2 2.94Å; D57-R94 IonicContact OD2-NH2 3.11Å
58L76.1Confident73.8Confident91 Ų9181.1 Ų81.148%0.47644%0.435SS..G310 helixtrans-88.4-10.8177.1-58.3175.7000112.9L55 D56 F60L55-L58 HydrophobicContact CD2-CD1 3.79Å; L55-L58 WeakPolarHBondContact O-CB 3.3Å; L55-L58 PolarHBondContact O-N 2.87Å; D56-L58 PolarHBondContact O-N 2.86Å; L58-F60 VanDerWaalsContact C-N 3.28Å; L58-F60 PolarHBondContact O-N 2.62Å
59N86.9Confident76.1Confident69 Ų6978.7 Ų78.737%0.36942%0.418SS..  trans-83.270.9179.1-78.3-37.2000111D56 F75D56-N59 PolarHBondContact O-N 2.88Å; N59-F75 WeakPolarHBondContact O-CE1 3.41Å
60F93Very high78.2Confident5 Ų572.9 Ų72.92%0.02240%0.403CS..EExtended strand (participates in β ladder)trans-137.7161.917364.4-88.5000111.9I35 A36 V37 D57 L58 I62 R94 Q98I35-F60 HydrophobicContact CD1-CB 4.1Å; I35-F60 HydrophobicContact CD1-CD2 3.53Å; I35-F60 HydrophobicContact CD1-CE2 4.15Å; I35-F60 HydrophobicContact CD1-CG 3.94Å; I35-F60 HydrophobicContact CG1-CB 4.09Å; I35-F60 HydrophobicContact CG1-CD2 3.96Å; I35-F60 HydrophobicContact CG1-CG 4.36Å; A36-F60 WeakPolarHBondContact O-CA 3.5Å; A36-F60 VanDerWaalsContact O-CB 3.3Å; A36-F60 WeakPolarHBondContact O-CB 3.27Å; V37-F60 HydrophobicContact CG1-CB 4.12Å; D57-F60 WeakPolarHBondContact O-CD1 3.4Å; D57-F60 WeakPolarHBondContact O-CE1 3.21Å; L58-F60 VanDerWaalsContact C-N 3.28Å; L58-F60 PolarHBondContact O-N 2.62Å; F60-I62 HydrophobicContact CD2-CG2 4.26Å; F60-I62 HydrophobicContact CE2-CG2 4.42Å; F60-R94 HydrophobicContact CD1-CB 4.42Å; F60-R94 HydrophobicContact CD2-CB 4.38Å; F60-R94 HydrophobicContact CE1-CB 3.96Å; F60-R94 HydrophobicContact CE1-CG 4.12Å; F60-R94 HydrophobicContact CE2-CB 3.91Å; F60-R94 WeakPolarHBondContact CE2-O 3.49Å; F60-R94 HydrophobicContact CZ-CB 3.68Å; F60-R94 HydrophobicContact CZ-CG 4.3Å; F60-R94 VanDerWaalsContact CZ-O 3.28Å; F60-R94 WeakPolarHBondContact CZ-O 3.49Å; F60-Q98 HydrophobicContact CD2-CG 4.35Å; F60-Q98 HydrophobicContact CE2-CB 4.23Å; F60-Q98 HydrophobicContact CE2-CG 3.58Å; F60-Q98 HydrophobicContact CZ-CG 4.15Å; F60-Q98 PolarHBondContact O-NE2 3.17Å
61F95.9Very high80.2Confident68 Ų6865.1 Ų65.130%0.29840%0.396SS..EExtended strand (participates in β ladder)trans-134.1150.7176.6-62.4-91.9000109.1I35 A36 E65 A66 L69 F75I35-F61 CarbonylContact C-O 3.5Å; I35-F61 VanDerWaalsContact CA-O 3.32Å; I35-F61 WeakPolarHBondContact CA-O 3.34Å; A36-F61 PolarHBondContact N-O 2.98Å; A36-F61 PolarHBondContact O-N 3.14Å; A36-F61 VanDerWaalsContact O-N 3.13Å; F61-E65 HydrophobicContact CB-CB 4.24Å; F61-E65 HydrophobicContact CD1-CB 4.45Å; F61-E65 WeakPolarHBondContact CD1-OE2 3.36Å; F61-A66 WeakPolarHBondContact O-CB 3.34Å; F61-L69 HydrophobicContact CB-CD1 4.03Å; F61-L69 HydrophobicContact CD1-CD1 4.26Å; F61-L69 HydrophobicContact CD2-CD1 3.2Å; F61-L69 HydrophobicContact CE2-CD1 3.64Å; F61-L69 HydrophobicContact CG-CD1 3.56Å; F61-L69 HydrophobicContact CZ-CD1 4.33Å; F61-F75 AromaticContact CD2-CE1 3.93Å; F61-F75 HydrophobicContact CD2-CE1 3.93Å; F61-F75 HydrophobicContact CD2-CZ 4.03Å; F61-F75 HydrophobicContact CE2-CE1 4.09Å; F61-F75 HydrophobicContact CE2-CE2 4.38Å; F61-F75 AromaticContact CE2-CZ 3.72Å; F61-F75 HydrophobicContact CE2-CZ 3.72Å
62I97.3Very high82.2Confident12 Ų1264.3 Ų64.36%0.06239%0.387CS..EExtended strand (participates in β ladder)trans-119.1162.9178.468.7168.7000111.8I31 C34 I35 F60 A66 Y95 Q98 L99I31-I62 HydrophobicContact CD1-CD1 3.68Å; I31-I62 HydrophobicContact CD1-CG1 4.05Å; C34-I62 WeakPolarHBondContact O-CA 3.13Å; I35-I62 HydrophobicContact CB-CG2 4.33Å; I35-I62 HydrophobicContact CD1-CG2 4.45Å; I35-I62 HydrophobicContact CG1-CG2 4.13Å; F60-I62 HydrophobicContact CD2-CG2 4.26Å; F60-I62 HydrophobicContact CE2-CG2 4.42Å; I62-A66 PolarHBondContact O-N 2.88Å; I62-Y95 HydrophobicContact CB-CD2 3.75Å; I62-Y95 HydrophobicContact CB-CE2 3.71Å; I62-Y95 HydrophobicContact CD1-CD2 4.38Å; I62-Y95 HydrophobicContact CD1-CE2 4.19Å; I62-Y95 HydrophobicContact CG1-CE2 4.49Å; I62-Y95 HydrophobicContact CG2-CD2 3.46Å; I62-Y95 VanDerWaalsContact CG2-CD2 3.46Å; I62-Y95 HydrophobicContact CG2-CE2 3.99Å; I62-Y95 HydrophobicContact CG2-CG 4.28Å; I62-Q98 HydrophobicContact CD1-CB 3.52Å; I62-Q98 HydrophobicContact CG1-CB 3.88Å; I62-Q98 HydrophobicContact CG2-CB 4.13Å; I62-L99 HydrophobicContact CD1-CD2 3.69Å; I62-L99 HydrophobicContact CD1-CG 4.11Å
63G97.1Very high84.1Confident1 Ų168.2 Ų68.21%0.0140%0.398CS..Hα-helixtrans65.7-140.3171.500000114.1P32 C34 E65 A66 L67P32-G63 WeakPolarHBondContact O-CA 3.01Å; C34-G63 PolarHBondContact O-N 3.43Å; G63-E65 VanDerWaalsContact C-N 3.26Å; G63-E65 PolarHBondContact O-N 3.18Å; G63-A66 VanDerWaalsContact O-CB 3.26Å; G63-A66 WeakPolarHBondContact O-CB 3.34Å; G63-A66 PolarHBondContact O-N 3.43Å; G63-L67 PolarHBondContact O-N 3.39Å; G63-L67 VanDerWaalsContact O-N 3.16Å
64D95.1Very high86Confident102 Ų10270.2 Ų70.255%0.54541%0.406SS..Hα-helixtrans-63.6-32.1-177.1-61.7-55.5000112.8P32 A66 L67 A68P32-D64 WeakPolarHBondContact CD-OD1 3.46Å; P32-D64 WeakPolarHBondContact CG-OD1 3.32Å; D64-A66 VanDerWaalsContact C-N 3.31Å; D64-A66 PolarHBondContact O-N 3.39Å; D64-L67 PolarHBondContact O-N 2.93Å; D64-A68 WeakPolarHBondContact O-CB 3.12Å; D64-A68 PolarHBondContact O-N 3.09Å
65E94.9Very high87.6Confident94 Ų9467.1 Ų67.144%0.43937%0.369SS..Hα-helixtrans-64.2-38.2173.8-67.3-179.9-149.500111.4F61 G63 A68 L69 K102F61-E65 HydrophobicContact CB-CB 4.24Å; F61-E65 HydrophobicContact CD1-CB 4.45Å; F61-E65 WeakPolarHBondContact CD1-OE2 3.36Å; G63-E65 VanDerWaalsContact C-N 3.26Å; G63-E65 PolarHBondContact O-N 3.18Å; E65-A68 PolarHBondContact O-N 3.2Å; E65-L69 WeakPolarHBondContact O-CG 3.47Å; E65-L69 PolarHBondContact O-N 3.5Å; E65-K102 IonicContact OE1-NZ 3.61Å; E65-K102 PolarHBondContact OE1-NZ 2.96Å; E65-K102 IonicContact OE2-NZ 3.46Å; E65-K102 PolarHBondContact OE2-NZ 2.87Å
66A96.4Very high89Confident0 Ų062.6 Ų62.60%035%0.347CS..Hα-helixtrans-62.3-48.2174.500000111.3A36 F61 I62 G63 D64 A68 L69 D70 V77A36-A66 HydrophobicContact CB-CB 3.68Å; F61-A66 WeakPolarHBondContact O-CB 3.34Å; I62-A66 PolarHBondContact O-N 2.88Å; G63-A66 VanDerWaalsContact O-CB 3.26Å; G63-A66 WeakPolarHBondContact O-CB 3.34Å; G63-A66 PolarHBondContact O-N 3.43Å; D64-A66 VanDerWaalsContact C-N 3.31Å; D64-A66 PolarHBondContact O-N 3.39Å; A66-A68 VanDerWaalsContact C-N 3.28Å; A66-A68 PolarHBondContact O-N 3.25Å; A66-L69 PolarHBondContact O-N 2.92Å; A66-L69 VanDerWaalsContact O-N 3.11Å; A66-D70 PolarHBondContact O-N 3.14Å; A66-V77 WeakPolarHBondContact O-CG2 3.33Å
67L93Very high90.4Very high74 Ų7461.3 Ų61.339%0.38734%0.34SS..Hα-helixtrans-61.2-37.1178.3-65.5-179.6000112.2P32 G63 D64 L69 D70 V77 W79P32-L67 HydrophobicContact CB-CD1 3.99Å; P32-L67 HydrophobicContact CB-CG 4.48Å; P32-L67 HydrophobicContact CG-CD1 3.63Å; P32-L67 HydrophobicContact CG-CG 4.45Å; G63-L67 PolarHBondContact O-N 3.39Å; G63-L67 VanDerWaalsContact O-N 3.16Å; D64-L67 PolarHBondContact O-N 2.93Å; L67-L69 PolarHBondContact O-N 3.39Å; L67-D70 PolarHBondContact O-N 3.49Å; L67-V77 HydrophobicContact CD2-CG1 4.24Å; L67-W79 HydrophobicContact CD2-CH2 4.46Å; L67-W79 HydrophobicContact CD2-CZ2 4.01Å
68A91.6Very high91.6Very high57 Ų5760.4 Ų60.447%0.47133%0.332SS..Hα-helixtrans-66.3-23.6178.200000113.3D64 E65 A66 K72D64-A68 WeakPolarHBondContact O-CB 3.12Å; D64-A68 PolarHBondContact O-N 3.09Å; E65-A68 PolarHBondContact O-N 3.2Å; A66-A68 VanDerWaalsContact C-N 3.28Å; A66-A68 PolarHBondContact O-N 3.25Å; A68-K72 WeakPolarHBondContact O-CD 3.31Å; A68-K72 WeakPolarHBondContact O-CE 3.3Å; A68-K72 PolarHBondContact O-NZ 3.23Å
69L91.8Very high92.6Very high35 Ų3559.3 Ų59.318%0.18332%0.322CS..THydrogen-bonded Turntrans-95-3.4-180-70.3172.4000113.8A36 F61 E65 A66 L67 G71 K72 F75A36-L69 HydrophobicContact CB-CB 4.48Å; F61-L69 HydrophobicContact CB-CD1 4.03Å; F61-L69 HydrophobicContact CD1-CD1 4.26Å; F61-L69 HydrophobicContact CD2-CD1 3.2Å; F61-L69 HydrophobicContact CE2-CD1 3.64Å; F61-L69 HydrophobicContact CG-CD1 3.56Å; F61-L69 HydrophobicContact CZ-CD1 4.33Å; E65-L69 WeakPolarHBondContact O-CG 3.47Å; E65-L69 PolarHBondContact O-N 3.5Å; A66-L69 PolarHBondContact O-N 2.92Å; A66-L69 VanDerWaalsContact O-N 3.11Å; L67-L69 PolarHBondContact O-N 3.39Å; L69-G71 PolarHBondContact O-N 3.29Å; L69-K72 WeakPolarHBondContact O-CB 3.3Å; L69-K72 PolarHBondContact O-N 2.99Å; L69-F75 HydrophobicContact CB-CB 4.2Å; L69-F75 HydrophobicContact CB-CG 4.4Å; L69-F75 HydrophobicContact CD1-CD2 4.49Å
70D89Confident93.1Very high92 Ų9256 Ų5649%0.49230%0.304SS..THydrogen-bonded Turntrans-58124.1-176.7-162.825.4000112A66 L67 K72 V77A66-D70 PolarHBondContact O-N 3.14Å; L67-D70 PolarHBondContact O-N 3.49Å; D70-K72 PolarHBondContact O-N 3.31Å; D70-V77 HydrophobicContact CB-CB 4.36Å; D70-V77 HydrophobicContact CB-CG2 3.55Å; D70-V77 PolarHBondContact OD1-N 3.25Å
71G85Confident93.3Very high71 Ų7155.9 Ų55.973%0.73230%0.304SS*.THydrogen-bonded Turntrans69.312.5-177.400000115.2L69 F75L69-G71 PolarHBondContact O-N 3.29Å; G71-F75 PolarHBondContact N-O 2.88Å; G71-F75 VanDerWaalsContact N-O 3.14Å
72K87.4Confident93.1Very high119 Ų11957 Ų5752%0.51731%0.306SS..SBendtrans-115.4144.7178.8-60177.4-169.4161.40110.8A68 L69 D70 D74 F75A68-K72 WeakPolarHBondContact O-CD 3.31Å; A68-K72 WeakPolarHBondContact O-CE 3.3Å; A68-K72 PolarHBondContact O-NZ 3.23Å; L69-K72 WeakPolarHBondContact O-CB 3.3Å; L69-K72 PolarHBondContact O-N 2.99Å; D70-K72 PolarHBondContact O-N 3.31Å; K72-D74 PolarHBondContact O-N 3.27Å; K72-D74 VanDerWaalsContact O-N 3.12Å; K72-F75 WeakPolarHBondContact O-CB 3.39Å; K72-F75 PolarHBondContact O-N 3.04Å
73N85.7Confident92.7Very high121 Ų12162.5 Ų62.565%0.64733%0.331SS*.THydrogen-bonded Turntrans49.439.6174.1-55.8-30.2000113.5F75N73-F75 HydrophobicContact CB-CD2 4.11Å; N73-F75 HydrophobicContact CB-CE2 4.41Å; N73-F75 WeakPolarHBondContact O-CD2 3.33Å; N73-F75 PolarHBondContact O-N 3.14Å
74D89.4Confident92.3Very high130 Ų13063 Ų6370%0.69534%0.336SS*.THydrogen-bonded Turntrans62.914.8-177.6-50-44.6000115.6K38 E39 K72K38-D74 CarbonylContact C-O 3.55Å; K38-D74 WeakPolarHBondContact CA-O 3.46Å; E39-D74 PolarHBondContact N-O 3.23Å; K72-D74 PolarHBondContact O-N 3.27Å; K72-D74 VanDerWaalsContact O-N 3.12Å
75F92.7Very high92.2Very high18 Ų1860.6 Ų60.68%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-82.1141.2171.6-73.6-85.4000111.9A36 V37 K38 N59 F61 L69 G71 K72 N73A36-F75 HydrophobicContact CB-CB 4.37Å; A36-F75 HydrophobicContact CB-CD1 4.07Å; V37-F75 WeakPolarHBondContact O-CA 3.36Å; K38-F75 HydrophobicContact CD-CZ 4.32Å; K38-F75 HydrophobicContact CG-CD1 4.08Å; K38-F75 HydrophobicContact CG-CD2 4.36Å; K38-F75 HydrophobicContact CG-CE1 3.76Å; K38-F75 HydrophobicContact CG-CE2 4.06Å; K38-F75 HydrophobicContact CG-CG 4.37Å; K38-F75 HydrophobicContact CG-CZ 3.74Å; N59-F75 WeakPolarHBondContact O-CE1 3.41Å; F61-F75 AromaticContact CD2-CE1 3.93Å; F61-F75 HydrophobicContact CD2-CE1 3.93Å; F61-F75 HydrophobicContact CD2-CZ 4.03Å; F61-F75 HydrophobicContact CE2-CE1 4.09Å; F61-F75 HydrophobicContact CE2-CE2 4.38Å; F61-F75 AromaticContact CE2-CZ 3.72Å; F61-F75 HydrophobicContact CE2-CZ 3.72Å; L69-F75 HydrophobicContact CB-CB 4.2Å; L69-F75 HydrophobicContact CB-CG 4.4Å; L69-F75 HydrophobicContact CD1-CD2 4.49Å; G71-F75 PolarHBondContact N-O 2.88Å; G71-F75 VanDerWaalsContact N-O 3.14Å; K72-F75 WeakPolarHBondContact O-CB 3.39Å; K72-F75 PolarHBondContact O-N 3.04Å; N73-F75 HydrophobicContact CB-CD2 4.11Å; N73-F75 HydrophobicContact CB-CE2 4.41Å; N73-F75 WeakPolarHBondContact O-CD2 3.33Å; N73-F75 PolarHBondContact O-N 3.14Å
76S93.5Very high92.3Very high13 Ų1357.6 Ų57.69%0.09131%0.309CS..EExtended strand (participates in β ladder)trans-123.8135.316870.40000109.7A36 V37 E39 K78A36-S76 WeakPolarHBondContact CA-O 3.06Å; V37-S76 PolarHBondContact N-O 3.21Å; V37-S76 PolarHBondContact O-N 3.12Å; E39-S76 VanDerWaalsContact CG-OG 3.26Å; E39-S76 WeakPolarHBondContact CG-OG 3.48Å; E39-S76 WeakPolarHBondContact OE1-CB 3.35Å; E39-S76 PolarHBondContact OE1-OG 3.27Å; E39-S76 VanDerWaalsContact OE1-OG 3.11Å; S76-K78 WeakPolarHBondContact OG-CE 3.47Å; S76-K78 PolarHBondContact OG-NZ 3.2Å
77V95.8Very high92.3Very high21 Ų2163.8 Ų63.813%0.12734%0.338CS..EExtended strand (participates in β ladder)trans-79.6130.31741750000110.5C34 A36 A66 L67 D70C34-V77 HydrophobicContact CB-CG1 3.69Å; A36-V77 HydrophobicContact CB-CG2 4.23Å; A66-V77 WeakPolarHBondContact O-CG2 3.33Å; L67-V77 HydrophobicContact CD2-CG1 4.24Å; D70-V77 HydrophobicContact CB-CB 4.36Å; D70-V77 HydrophobicContact CB-CG2 3.55Å; D70-V77 PolarHBondContact OD1-N 3.25Å
78K96.7Very high92.5Very high75 Ų7563.2 Ų63.233%0.32634%0.335SS..EExtended strand (participates in β ladder)trans-118.5152.8173.1-53.2-61-175.5-1590109.8C34 I35 V37 E39 S76 L91C34-K78 VanDerWaalsContact CA-O 3.31Å; C34-K78 WeakPolarHBondContact CA-O 3.48Å; C34-K78 WeakPolarHBondContact CB-O 3.28Å; I35-K78 HydrophobicContact CG2-CB 4.18Å; I35-K78 PolarHBondContact N-O 3.38Å; I35-K78 PolarHBondContact O-N 3.38Å; V37-K78 HydrophobicContact CG2-CG 3.94Å; E39-K78 IonicContact OE1-NZ 3.97Å; E39-K78 PolarHBondContact OE1-NZ 3.17Å; S76-K78 WeakPolarHBondContact OG-CE 3.47Å; S76-K78 PolarHBondContact OG-NZ 3.2Å; K78-L91 HydrophobicContact CB-CD1 3.57Å; K78-L91 HydrophobicContact CG-CD1 3.99Å
79W96.8Very high92.7Very high68 Ų6863 Ų6326%0.25832%0.323SS..  trans-121.698179.9-63.883.6000107.8P32 S33 C34 L67 I81P32-W79 HydrophobicContact CB-CH2 4.24Å; P32-W79 HydrophobicContact CB-CZ3 4.49Å; S33-W79 VanDerWaalsContact O-CE3 3.32Å; C34-W79 HydrophobicContact CB-CD2 3.71Å; C34-W79 HydrophobicContact CB-CE3 3.71Å; C34-W79 HydrophobicContact CB-CG 4.39Å; C34-W79 HydrophobicContact CB-CH2 3.83Å; C34-W79 HydrophobicContact CB-CZ2 3.83Å; C34-W79 HydrophobicContact CB-CZ3 3.76Å; L67-W79 HydrophobicContact CD2-CH2 4.46Å; L67-W79 HydrophobicContact CD2-CZ2 4.01Å; W79-I81 PolarHBondContact O-N 3.42Å
80P97.5Very high92.9Very high1 Ų167 Ų671%0.00634%0.344CS..SBendtrans-68.7-17-174.226.2-33.9000113.1E87 D88 L91 M92P80-E87 PolarHBondContact O-N 3.49Å; P80-D88 HydrophobicContact CB-CB 4.45Å; P80-D88 PolarHBondContact O-N 3.29Å; P80-L91 HydrophobicContact CB-CB 4.02Å; P80-M92 HydrophobicContact CG-SD 4.43Å
81I96.2Very high93.3Very high2 Ų263.5 Ų63.51%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-110.6124.9180-55.9170.7000109.3N12 W79 I85 I86 M92N12-I81 HydrophobicContact CB-CD1 3.72Å; W79-I81 PolarHBondContact O-N 3.42Å; I81-I85 CarbonylContact C-O 3.55Å; I81-I85 VanDerWaalsContact CA-O 3.29Å; I81-I85 WeakPolarHBondContact CA-O 3.23Å; I81-I86 HydrophobicContact CG1-CG1 4.18Å; I81-M92 HydrophobicContact CD1-SD 4.16Å; I81-M92 HydrophobicContact CG1-SD 4.23Å
82R92.3Very high93.8Very high91 Ų9160.1 Ų60.134%0.34329%0.29SS..EExtended strand (participates in β ladder)trans-125.3132.6172.4-60.8-60.6-174.1167.11.4109.8G84 I85 E87R82-G84 PolarHBondContact O-N 2.69Å; R82-I85 PolarHBondContact N-O 2.9Å; R82-I85 PolarHBondContact O-N 3.29Å; R82-E87 VanDerWaalsContact CB-CD 3.45Å; R82-E87 HydrophobicContact CB-CG 4.02Å; R82-E87 WeakPolarHBondContact CB-OE1 3.11Å; R82-E87 VanDerWaalsContact CG-CD 3.42Å; R82-E87 HydrophobicContact CG-CG 4.15Å; R82-E87 WeakPolarHBondContact CG-OE2 3.4Å
83H88.6Confident94.3Very high127 Ų12757.8 Ų57.859%0.58828%0.281SS*.THydrogen-bonded Turntrans48.934.8179.5-54.3-69.3000114.3G176H83-G176 PolarHBondContact ND1-O 3.15Å
84G89Confident94.8Very high11 Ų1155 Ų5511%0.11326%0.262CS..THydrogen-bonded Turntrans88.8-11.9179.700000115.2T14 R82 P118T14-G84 PolarHBondContact OG1-N 3.14Å; R82-G84 PolarHBondContact O-N 2.69Å; G84-P118 VanDerWaalsContact O-CG 3.3Å; G84-P118 WeakPolarHBondContact O-CG 3.5Å
85I93.4Very high95.1Very high53 Ų5348.9 Ų48.927%0.27223%0.229SC..EExtended strand (participates in β ladder)trans-103.8141.7-175.7-58.4-69.2000110.3I81 R82 E87 P118 N121I81-I85 CarbonylContact C-O 3.55Å; I81-I85 VanDerWaalsContact CA-O 3.29Å; I81-I85 WeakPolarHBondContact CA-O 3.23Å; R82-I85 PolarHBondContact N-O 2.9Å; R82-I85 PolarHBondContact O-N 3.29Å; I85-E87 PolarHBondContact O-N 2.97Å; I85-P118 HydrophobicContact CD1-CG 3.52Å; I85-P118 HydrophobicContact CG1-CG 4.41Å; I85-N121 HydrophobicContact CD1-CB 4.43Å
86I96.7Very high95.4Very high30 Ų3048.1 Ų48.115%0.15423%0.225CC..EExtended strand (participates in β ladder)trans-73.6119.1172-61.8160.1000107.9I81 W89 M92I81-I86 HydrophobicContact CG1-CG1 4.18Å; I86-W89 HydrophobicContact CB-CH2 4.24Å; I86-W89 HydrophobicContact CB-CZ2 4.07Å; I86-W89 HydrophobicContact CD1-CE3 4.36Å; I86-W89 HydrophobicContact CD1-CH2 3.62Å; I86-W89 HydrophobicContact CD1-CZ2 4.31Å; I86-W89 HydrophobicContact CD1-CZ3 3.66Å; I86-W89 HydrophobicContact CG2-CD2 3.75Å; I86-W89 HydrophobicContact CG2-CE3 3.95Å; I86-W89 HydrophobicContact CG2-CG 4.18Å; I86-W89 HydrophobicContact CG2-CH2 4.39Å; I86-W89 HydrophobicContact CG2-CZ2 4.21Å; I86-W89 HydrophobicContact CG2-CZ3 4.28Å; I86-M92 HydrophobicContact CD1-CG 3.93Å; I86-M92 HydrophobicContact CD1-SD 4.34Å; I86-M92 HydrophobicContact CG1-CG 4.17Å; I86-M92 HydrophobicContact CG1-SD 4.19Å; I86-M92 HydrophobicContact CG2-CB 3.78Å; I86-M92 HydrophobicContact CG2-CG 4Å
87E96.1Very high95.4Very high130 Ų13050.7 Ų50.761%0.60724%0.236SC*.  trans-101.2-24.8177.3-69.3-168.1166.900112.8P80 R82 I85P80-E87 PolarHBondContact O-N 3.49Å; R82-E87 VanDerWaalsContact CB-CD 3.45Å; R82-E87 HydrophobicContact CB-CG 4.02Å; R82-E87 WeakPolarHBondContact CB-OE1 3.11Å; R82-E87 VanDerWaalsContact CG-CD 3.42Å; R82-E87 HydrophobicContact CG-CG 4.15Å; R82-E87 WeakPolarHBondContact CG-OE2 3.4Å; I85-E87 PolarHBondContact O-N 2.97Å
88D96.9Very high95.4Very high62 Ų6250.9 Ų50.933%0.33224%0.236SC..  trans-127.999.1-179.1-168.5-37.7000109.7P80 D90 L91 M92P80-D88 HydrophobicContact CB-CB 4.45Å; P80-D88 PolarHBondContact O-N 3.29Å; D88-D90 PolarHBondContact OD1-N 3.41Å; D88-L91 HydrophobicContact CB-CB 4.1Å; D88-L91 HydrophobicContact CB-CD1 4.16Å; D88-L91 HydrophobicContact CB-CG 4.29Å; D88-L91 VanDerWaalsContact CG-CG 3.45Å; D88-L91 WeakPolarHBondContact OD1-CB 3.32Å; D88-L91 WeakPolarHBondContact OD1-CG 3.4Å; D88-L91 PolarHBondContact OD1-N 2.89Å; D88-L91 VanDerWaalsContact OD2-CD1 3.23Å; D88-L91 WeakPolarHBondContact OD2-CD1 3.42Å; D88-L91 WeakPolarHBondContact OD2-CG 3.33Å; D88-M92 WeakPolarHBondContact O-CB 3.27Å; D88-M92 PolarHBondContact O-N 3.32Å
89W97.1Very high95.4Very high54 Ų5447.3 Ų47.321%0.20522%0.22CC..Hα-helixtrans-72.1-33.5-176.3-71.899.3000112.8I86 M92 Q93 N125 Y128 L129 I132I86-W89 HydrophobicContact CB-CH2 4.24Å; I86-W89 HydrophobicContact CB-CZ2 4.07Å; I86-W89 HydrophobicContact CD1-CE3 4.36Å; I86-W89 HydrophobicContact CD1-CH2 3.62Å; I86-W89 HydrophobicContact CD1-CZ2 4.31Å; I86-W89 HydrophobicContact CD1-CZ3 3.66Å; I86-W89 HydrophobicContact CG2-CD2 3.75Å; I86-W89 HydrophobicContact CG2-CE3 3.95Å; I86-W89 HydrophobicContact CG2-CG 4.18Å; I86-W89 HydrophobicContact CG2-CH2 4.39Å; I86-W89 HydrophobicContact CG2-CZ2 4.21Å; I86-W89 HydrophobicContact CG2-CZ3 4.28Å; W89-M92 PolarHBondContact O-N 2.95Å; W89-Q93 WeakPolarHBondContact O-CB 3.48Å; W89-Q93 PolarHBondContact O-N 2.94Å; W89-N125 HydrophobicContact CH2-CB 4.24Å; W89-N125 WeakPolarHBondContact CH2-O 3.18Å; W89-N125 HydrophobicContact CZ2-CB 3.86Å; W89-Y128 AromaticContact CE2-CD2 3.85Å; W89-Y128 AromaticContact CZ2-CD2 3.98Å; W89-Y128 HydrophobicContact CZ2-CD2 3.98Å; W89-Y128 HydrophobicContact CZ2-CG 4.38Å; W89-Y128 AromaticContact NE1-CD2 3.84Å; W89-L129 HydrophobicContact CH2-CB 4.17Å; W89-L129 HydrophobicContact CZ3-CB 4.06Å; W89-L129 HydrophobicContact CZ3-CD1 4.32Å; W89-I132 HydrophobicContact CE3-CD1 3.62Å; W89-I132 HydrophobicContact CZ3-CD1 4.14Å
90D95.5Very high95.5Very high117 Ų11744.1 Ų44.163%0.62621%0.208SC*.Hα-helixtrans-64.1-46.2176.5-68-24.5000110.3D88 M92 R94D88-D90 PolarHBondContact OD1-N 3.41Å; D90-M92 VanDerWaalsContact C-N 3.35Å; D90-R94 WeakPolarHBondContact O-CG 3.35Å; D90-R94 PolarHBondContact O-N 3.16Å
91L96.2Very high95.4Very high19 Ų1948.6 Ų48.610%0.09923%0.228CC..Hα-helixtrans-67.4-35.9174.6-70.1-174.7000112.1I35 V37 K78 P80 D88 R94 Y95I35-L91 HydrophobicContact CD1-CD2 4.31Å; I35-L91 HydrophobicContact CG2-CB 4.12Å; I35-L91 HydrophobicContact CG2-CD1 4.08Å; I35-L91 HydrophobicContact CG2-CD2 4.04Å; I35-L91 HydrophobicContact CG2-CG 4.33Å; V37-L91 HydrophobicContact CG1-CD2 3.76Å; K78-L91 HydrophobicContact CB-CD1 3.57Å; K78-L91 HydrophobicContact CG-CD1 3.99Å; P80-L91 HydrophobicContact CB-CB 4.02Å; D88-L91 HydrophobicContact CB-CB 4.1Å; D88-L91 HydrophobicContact CB-CD1 4.16Å; D88-L91 HydrophobicContact CB-CG 4.29Å; D88-L91 VanDerWaalsContact CG-CG 3.45Å; D88-L91 WeakPolarHBondContact OD1-CB 3.32Å; D88-L91 WeakPolarHBondContact OD1-CG 3.4Å; D88-L91 PolarHBondContact OD1-N 2.89Å; D88-L91 VanDerWaalsContact OD2-CD1 3.23Å; D88-L91 WeakPolarHBondContact OD2-CD1 3.42Å; D88-L91 WeakPolarHBondContact OD2-CG 3.33Å; L91-R94 PolarHBondContact O-N 3.06Å; L91-Y95 VanDerWaalsContact O-CB 3.25Å; L91-Y95 WeakPolarHBondContact O-CB 3.45Å; L91-Y95 PolarHBondContact O-N 3.23Å
92M97.3Very high95.3Very high0 Ų052.7 Ų52.70%025%0.245CC..Hα-helixtrans-65.3-42.6177.5-169.666.6-147.600111.7N12 P80 I81 I86 D88 W89 D90 Y95 M96N12-M92 HydrophobicContact CB-CE 4.41Å; N12-M92 VanDerWaalsContact ND2-CE 3.3Å; N12-M92 WeakPolarHBondContact ND2-CE 3.34Å; P80-M92 HydrophobicContact CG-SD 4.43Å; I81-M92 HydrophobicContact CD1-SD 4.16Å; I81-M92 HydrophobicContact CG1-SD 4.23Å; I86-M92 HydrophobicContact CD1-CG 3.93Å; I86-M92 HydrophobicContact CD1-SD 4.34Å; I86-M92 HydrophobicContact CG1-CG 4.17Å; I86-M92 HydrophobicContact CG1-SD 4.19Å; I86-M92 HydrophobicContact CG2-CB 3.78Å; I86-M92 HydrophobicContact CG2-CG 4Å; D88-M92 WeakPolarHBondContact O-CB 3.27Å; D88-M92 PolarHBondContact O-N 3.32Å; W89-M92 PolarHBondContact O-N 2.95Å; D90-M92 VanDerWaalsContact C-N 3.35Å; M92-Y95 HydrophobicContact CE-CD1 3.9Å; M92-Y95 WeakPolarHBondContact O-CB 3.26Å; M92-Y95 PolarHBondContact O-N 2.97Å; M92-Y95 HydrophobicContact SD-CD1 4.42Å; M92-M96 HydrophobicContact CE-CG 3.71Å; M92-M96 HydrophobicContact CE-SD 3.55Å; M92-M96 VanDerWaalsContact CE-SD 3.55Å; M92-M96 WeakPolarHBondContact O-CG 3.31Å; M92-M96 PolarHBondContact O-N 3.02Å
93Q96.8Very high95.4Very high70 Ų7051.2 Ų51.233%0.32724%0.244SC..Hα-helixtrans-59.5-48.7175.6180176.4-34.800111.1W89 Y95 M96 E97 I132 T136W89-Q93 WeakPolarHBondContact O-CB 3.48Å; W89-Q93 PolarHBondContact O-N 2.94Å; Q93-Y95 VanDerWaalsContact C-N 3.31Å; Q93-Y95 PolarHBondContact O-N 2.75Å; Q93-M96 PolarHBondContact O-N 2.85Å; Q93-E97 PolarHBondContact O-N 3.48Å; Q93-I132 HydrophobicContact CB-CD1 4.07Å; Q93-I132 HydrophobicContact CB-CG1 4.34Å; Q93-I132 HydrophobicContact CB-CG2 4.37Å; Q93-I132 HydrophobicContact CG-CG1 4.49Å; Q93-I132 HydrophobicContact CG-CG2 4.14Å; Q93-T136 HydrophobicContact CG-CG2 4.42Å
94R95.7Very high95.8Very high64 Ų6445.9 Ų45.924%0.24222%0.22CC..Hα-helixtrans-60.2-41.2174.9-67.5178.2-160-148.21.2111.9I35 D57 F60 D90 L91 M96 E97 Q98I35-R94 HydrophobicContact CD1-CB 3.78Å; D57-R94 PolarHBondContact O-NH1 3.41Å; D57-R94 IonicContact OD1-CZ 3.3Å; D57-R94 IonicContact OD1-NH1 2.85Å; D57-R94 PolarHBondContact OD1-NH1 3.49Å; D57-R94 IonicContact OD1-NH2 2.76Å; D57-R94 PolarHBondContact OD1-NH2 2.94Å; D57-R94 IonicContact OD2-NH2 3.11Å; F60-R94 HydrophobicContact CD1-CB 4.42Å; F60-R94 HydrophobicContact CD2-CB 4.38Å; F60-R94 HydrophobicContact CE1-CB 3.96Å; F60-R94 HydrophobicContact CE1-CG 4.12Å; F60-R94 HydrophobicContact CE2-CB 3.91Å; F60-R94 WeakPolarHBondContact CE2-O 3.49Å; F60-R94 HydrophobicContact CZ-CB 3.68Å; F60-R94 HydrophobicContact CZ-CG 4.3Å; F60-R94 VanDerWaalsContact CZ-O 3.28Å; F60-R94 WeakPolarHBondContact CZ-O 3.49Å; D90-R94 WeakPolarHBondContact O-CG 3.35Å; D90-R94 PolarHBondContact O-N 3.16Å; L91-R94 PolarHBondContact O-N 3.06Å; R94-M96 PolarHBondContact O-N 3.38Å; R94-E97 WeakPolarHBondContact O-CB 3.4Å; R94-E97 PolarHBondContact O-N 2.89Å; R94-Q98 PolarHBondContact O-N 2.87Å
95Y97Very high96.1Very high1 Ų155.6 Ų55.60%0.00425%0.253CS..Hα-helixtrans-60.4-46176.9-176.1-95.9000111.5S17 I31 P32 C34 I35 I62 L91 M92 Q93 E97 Q98 L99S17-Y95 VanDerWaalsContact CB-OH 3.3Å; S17-Y95 WeakPolarHBondContact CB-OH 3.14Å; S17-Y95 PolarHBondContact OG-OH 3.41Å; I31-Y95 HydrophobicContact CD1-CE2 4.48Å; I31-Y95 WeakPolarHBondContact CD1-OH 3.36Å; I31-Y95 WeakPolarHBondContact CG1-OH 3.15Å; P32-Y95 PolarHBondContact O-OH 2.76Å; P32-Y95 VanDerWaalsContact O-OH 3.12Å; C34-Y95 WeakPolarHBondContact O-CE2 3.36Å; I35-Y95 HydrophobicContact CB-CD2 4.43Å; I62-Y95 HydrophobicContact CB-CD2 3.75Å; I62-Y95 HydrophobicContact CB-CE2 3.71Å; I62-Y95 HydrophobicContact CD1-CD2 4.38Å; I62-Y95 HydrophobicContact CD1-CE2 4.19Å; I62-Y95 HydrophobicContact CG1-CE2 4.49Å; I62-Y95 HydrophobicContact CG2-CD2 3.46Å; I62-Y95 VanDerWaalsContact CG2-CD2 3.46Å; I62-Y95 HydrophobicContact CG2-CE2 3.99Å; I62-Y95 HydrophobicContact CG2-CG 4.28Å; L91-Y95 VanDerWaalsContact O-CB 3.25Å; L91-Y95 WeakPolarHBondContact O-CB 3.45Å; L91-Y95 PolarHBondContact O-N 3.23Å; M92-Y95 HydrophobicContact CE-CD1 3.9Å; M92-Y95 WeakPolarHBondContact O-CB 3.26Å; M92-Y95 PolarHBondContact O-N 2.97Å; M92-Y95 HydrophobicContact SD-CD1 4.42Å; Q93-Y95 VanDerWaalsContact C-N 3.31Å; Q93-Y95 PolarHBondContact O-N 2.75Å; Y95-E97 VanDerWaalsContact C-N 3.32Å; Y95-E97 PolarHBondContact O-N 2.81Å; Y95-Q98 PolarHBondContact O-N 3.49Å; Y95-L99 HydrophobicContact CD1-CD1 3.84Å; Y95-L99 HydrophobicContact CD1-CG 4.12Å; Y95-L99 HydrophobicContact CE1-CD1 3.5Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.5Å; Y95-L99 HydrophobicContact CE1-CD2 4.17Å; Y95-L99 HydrophobicContact CE1-CG 3.88Å; Y95-L99 WeakPolarHBondContact O-CG 3.11Å; Y95-L99 PolarHBondContact O-N 3.18Å; Y95-L99 VanDerWaalsContact O-N 3.11Å
96M97.4Very high96.2Very high1 Ų153.4 Ų53.41%0.00524%0.243CC..Hα-helixtrans-61.9-37.3176.2-69.5-62.6-70.400112.6I10 M92 Q93 R94 Q98 L99 I100 L115 M133 F137I10-M96 HydrophobicContact CD1-CE 3.63Å; I10-M96 HydrophobicContact CD1-SD 4.49Å; M92-M96 HydrophobicContact CE-CG 3.71Å; M92-M96 HydrophobicContact CE-SD 3.55Å; M92-M96 VanDerWaalsContact CE-SD 3.55Å; M92-M96 WeakPolarHBondContact O-CG 3.31Å; M92-M96 PolarHBondContact O-N 3.02Å; Q93-M96 PolarHBondContact O-N 2.85Å; R94-M96 PolarHBondContact O-N 3.38Å; M96-Q98 PolarHBondContact O-N 3.49Å; M96-L99 WeakPolarHBondContact O-CB 3.48Å; M96-L99 PolarHBondContact O-N 3.45Å; M96-L99 VanDerWaalsContact O-N 3.13Å; M96-L99 HydrophobicContact SD-CD1 3.87Å; M96-I100 WeakPolarHBondContact O-CG1 3.37Å; M96-I100 PolarHBondContact O-N 2.94Å; M96-L115 HydrophobicContact CE-CD1 4.48Å; M96-L115 HydrophobicContact CE-CD2 4.07Å; M96-M133 HydrophobicContact CE-CE 4.3Å; M96-M133 HydrophobicContact CE-SD 3.75Å; M96-F137 HydrophobicContact CB-CE2 3.66Å; M96-F137 HydrophobicContact CB-CZ 3.84Å
97E95.5Very high96.3Very high67 Ų6756.7 Ų56.731%0.31326%0.258SS..Hα-helixtrans-56.1-49.1176.9-171.6-173.916500111.2Q93 R94 Y95 I100 F101 F137Q93-E97 PolarHBondContact O-N 3.48Å; R94-E97 WeakPolarHBondContact O-CB 3.4Å; R94-E97 PolarHBondContact O-N 2.89Å; Y95-E97 VanDerWaalsContact C-N 3.32Å; Y95-E97 PolarHBondContact O-N 2.81Å; E97-I100 PolarHBondContact O-N 3.38Å; E97-F101 HydrophobicContact CG-CD2 3.7Å; E97-F101 HydrophobicContact CG-CE2 4.06Å; E97-F101 VanDerWaalsContact O-CD2 3.3Å; E97-F101 WeakPolarHBondContact O-CD2 3.35Å; E97-F101 PolarHBondContact O-N 2.55Å; E97-F137 HydrophobicContact CB-CE1 4.15Å; E97-F137 HydrophobicContact CB-CZ 4.21Å; E97-F137 HydrophobicContact CG-CE1 4.47Å
98Q95.5Very high96.3Very high26 Ų2650.7 Ų50.712%0.12123%0.23CC..Iπ-helixtrans-71-30176.5-83.1-163.626.600113.4F60 I62 R94 Y95 M96 K102 L103F60-Q98 HydrophobicContact CD2-CG 4.35Å; F60-Q98 HydrophobicContact CE2-CB 4.23Å; F60-Q98 HydrophobicContact CE2-CG 3.58Å; F60-Q98 HydrophobicContact CZ-CG 4.15Å; F60-Q98 PolarHBondContact O-NE2 3.17Å; I62-Q98 HydrophobicContact CD1-CB 3.52Å; I62-Q98 HydrophobicContact CG1-CB 3.88Å; I62-Q98 HydrophobicContact CG2-CB 4.13Å; R94-Q98 PolarHBondContact O-N 2.87Å; Y95-Q98 PolarHBondContact O-N 3.49Å; M96-Q98 PolarHBondContact O-N 3.49Å; Q98-K102 HydrophobicContact CB-CB 4.44Å; Q98-K102 HydrophobicContact CG-CB 4.46Å; Q98-K102 HydrophobicContact CG-CD 4.41Å; Q98-K102 VanDerWaalsContact O-CB 3.29Å; Q98-K102 WeakPolarHBondContact O-CB 3.49Å; Q98-K102 PolarHBondContact O-N 2.9Å; Q98-L103 PolarHBondContact O-N 3.32Å
99L96.9Very high96.4Very high0 Ų052.5 Ų52.50%024%0.236CC..Iπ-helixtrans-61.1-45.6171.5-70.3-173.9000111.7I10 I19 I31 I62 Y95 M96 L103 L104I10-L99 HydrophobicContact CG2-CD1 4.07Å; I19-L99 HydrophobicContact CD1-CD1 4.42Å; I19-L99 HydrophobicContact CD1-CD2 3.59Å; I19-L99 HydrophobicContact CG1-CD1 4.06Å; I19-L99 HydrophobicContact CG1-CD2 3.84Å; I19-L99 HydrophobicContact CG1-CG 4.49Å; I31-L99 HydrophobicContact CD1-CD2 3.63Å; I31-L99 HydrophobicContact CG1-CD2 4.41Å; I62-L99 HydrophobicContact CD1-CD2 3.69Å; I62-L99 HydrophobicContact CD1-CG 4.11Å; Y95-L99 HydrophobicContact CD1-CD1 3.84Å; Y95-L99 HydrophobicContact CD1-CG 4.12Å; Y95-L99 HydrophobicContact CE1-CD1 3.5Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.5Å; Y95-L99 HydrophobicContact CE1-CD2 4.17Å; Y95-L99 HydrophobicContact CE1-CG 3.88Å; Y95-L99 WeakPolarHBondContact O-CG 3.11Å; Y95-L99 PolarHBondContact O-N 3.18Å; Y95-L99 VanDerWaalsContact O-N 3.11Å; M96-L99 WeakPolarHBondContact O-CB 3.48Å; M96-L99 PolarHBondContact O-N 3.45Å; M96-L99 VanDerWaalsContact O-N 3.13Å; M96-L99 HydrophobicContact SD-CD1 3.87Å; L99-L103 HydrophobicContact CD2-CD2 3.8Å; L99-L103 WeakPolarHBondContact O-CB 3.17Å; L99-L104 WeakPolarHBondContact O-CB 3.37Å; L99-L104 PolarHBondContact O-N 3.41Å
100I97.1Very high96.4Very high0 Ų054.6 Ų54.60%025%0.251CS..Iπ-helixtrans-75.4-58.2-174.9-65168.1000110.6M96 E97 L104 R105 A106 P108 F113 M133 F137M96-I100 WeakPolarHBondContact O-CG1 3.37Å; M96-I100 PolarHBondContact O-N 2.94Å; E97-I100 PolarHBondContact O-N 3.38Å; I100-L104 WeakPolarHBondContact O-CB 3.4Å; I100-R105 PolarHBondContact O-N 2.92Å; I100-A106 PolarHBondContact O-N 3.24Å; I100-P108 HydrophobicContact CG2-CB 4.01Å; I100-P108 HydrophobicContact CG2-CG 4.14Å; I100-F113 HydrophobicContact CD1-CE1 4.11Å; I100-F113 HydrophobicContact CD1-CZ 4.18Å; I100-F113 HydrophobicContact CG1-CE1 4.09Å; I100-F113 HydrophobicContact CG1-CZ 4.27Å; I100-M133 HydrophobicContact CD1-CE 4.42Å; I100-F137 HydrophobicContact CD1-CB 4.45Å; I100-F137 HydrophobicContact CD1-CD1 4.06Å; I100-F137 HydrophobicContact CD1-CD2 3.79Å; I100-F137 HydrophobicContact CD1-CE1 4.25Å; I100-F137 HydrophobicContact CD1-CE2 3.98Å; I100-F137 HydrophobicContact CD1-CG 3.84Å; I100-F137 HydrophobicContact CD1-CZ 4.21Å
101F96.4Very high96.5Very high96 Ų9649.7 Ų49.742%0.42123%0.225SC..Iπ-helixtrans-82.5-36.8-169.2-63.9-68.9000113.3E97 P108 F137E97-F101 HydrophobicContact CG-CD2 3.7Å; E97-F101 HydrophobicContact CG-CE2 4.06Å; E97-F101 VanDerWaalsContact O-CD2 3.3Å; E97-F101 WeakPolarHBondContact O-CD2 3.35Å; E97-F101 PolarHBondContact O-N 2.55Å; F101-P108 HydrophobicContact CE1-CG 4.01Å; F101-P108 HydrophobicContact CZ-CG 3.85Å; F101-F137 HydrophobicContact CE2-CD1 4Å; F101-F137 AromaticContact CE2-CE1 4Å; F101-F137 HydrophobicContact CE2-CE1 4Å; F101-F137 HydrophobicContact CZ-CD1 4.41Å
102K94.6Very high96.6Very high87 Ų8750.1 Ų50.138%0.37823%0.225SC..Iπ-helixtrans-90.3-48.2-177179.4-176.7173.7-174.40112.4E65 Q98E65-K102 IonicContact OE1-NZ 3.61Å; E65-K102 PolarHBondContact OE1-NZ 2.96Å; E65-K102 IonicContact OE2-NZ 3.46Å; E65-K102 PolarHBondContact OE2-NZ 2.87Å; Q98-K102 HydrophobicContact CB-CB 4.44Å; Q98-K102 HydrophobicContact CG-CB 4.46Å; Q98-K102 HydrophobicContact CG-CD 4.41Å; Q98-K102 VanDerWaalsContact O-CB 3.29Å; Q98-K102 WeakPolarHBondContact O-CB 3.49Å; Q98-K102 PolarHBondContact O-N 2.9Å
103L94.5Very high96.7Very high60 Ų6050.1 Ų50.131%0.31423%0.225SC..Iπ-helixtrans-84.7-55.9-172-166.868.1000112.3I19 S29 I31 Q98 L99I19-L103 HydrophobicContact CB-CD2 4.36Å; I19-L103 HydrophobicContact CD1-CD2 4.03Å; I19-L103 HydrophobicContact CG1-CD2 4.48Å; I19-L103 HydrophobicContact CG2-CD2 4.48Å; S29-L103 WeakPolarHBondContact OG-CD1 3.32Å; I31-L103 HydrophobicContact CD1-CD2 4.24Å; Q98-L103 PolarHBondContact O-N 3.32Å; L99-L103 HydrophobicContact CD2-CD2 3.8Å; L99-L103 WeakPolarHBondContact O-CB 3.17Å
104L95.8Very high96.7Very high16 Ų1646.8 Ų46.88%0.08421%0.21CC..Iπ-helixtrans-74.9-29.8178.4-75.8168.1000112.9I8 I19 Y21 L99 I100 A106I8-L104 HydrophobicContact CB-CD1 4.49Å; I8-L104 HydrophobicContact CD1-CD1 4.08Å; I8-L104 HydrophobicContact CG1-CD1 4.22Å; I8-L104 HydrophobicContact CG2-CD1 3.47Å; I8-L104 VanDerWaalsContact CG2-CD1 3.47Å; I19-L104 HydrophobicContact CG2-CD1 3.59Å; I19-L104 HydrophobicContact CG2-CD2 3.68Å; I19-L104 HydrophobicContact CG2-CG 3.54Å; Y21-L104 HydrophobicContact CD2-CD2 4.46Å; Y21-L104 HydrophobicContact CE2-CD2 3.95Å; Y21-L104 PolarHBondContact OH-O 3.22Å; L99-L104 WeakPolarHBondContact O-CB 3.37Å; L99-L104 PolarHBondContact O-N 3.41Å; I100-L104 WeakPolarHBondContact O-CB 3.4Å; L104-A106 HydrophobicContact CB-CB 4.17Å; L104-A106 PolarHBondContact O-N 2.83Å
105R96.1Very high96.9Very high214 Ų21443.9 Ų43.981%0.80820%0.199SC*.  trans5441.4-172.1-55.9179.7175.6-175.6-2.6111.4I100I100-R105 PolarHBondContact O-N 2.92Å
106A95.9Very high96.9Very high7 Ų744.5 Ų44.56%0.05820%0.203CC..  trans-97.6146.118000000110.5I8 I100 L104 P108I8-A106 HydrophobicContact CD1-CB 3.6Å; I100-A106 PolarHBondContact O-N 3.24Å; L104-A106 HydrophobicContact CB-CB 4.17Å; L104-A106 PolarHBondContact O-N 2.83Å; A106-P108 WeakPolarHBondContact O-CD 3.4Å
107E97.3Very high96.8Very high100 Ų10044.9 Ų44.947%0.46721%0.205SC..  trans-82.9107.1161.3-173.259.4-115.900107.4E109 D110 H111E107-E109 PolarHBondContact O-N 3.05Å; E107-E109 VanDerWaalsContact O-N 3.1Å; E107-D110 PolarHBondContact O-N 3.42Å; E107-H111 PolarHBondContact O-CD2 3.5Å
108P97.7Very high96.6Very high3 Ų342.1 Ų42.12%0.01919%0.193CC..G310 helixtrans-58.9-28.2-171.222.9-34.3000113.6I100 F101 A106 D110 H111 F113 F137 I139 P140I100-P108 HydrophobicContact CG2-CB 4.01Å; I100-P108 HydrophobicContact CG2-CG 4.14Å; F101-P108 HydrophobicContact CE1-CG 4.01Å; F101-P108 HydrophobicContact CZ-CG 3.85Å; A106-P108 WeakPolarHBondContact O-CD 3.4Å; P108-D110 PolarHBondContact O-N 2.75Å; P108-H111 PolarHBondContact O-N 3.3Å; P108-F113 HydrophobicContact CB-CE2 4.31Å; P108-F113 HydrophobicContact CB-CZ 4.27Å; P108-F137 HydrophobicContact CB-CB 4.04Å; P108-F137 VanDerWaalsContact CB-O 3.31Å; P108-F137 WeakPolarHBondContact CB-O 3.39Å; P108-F137 HydrophobicContact CG-CB 4.28Å; P108-F137 VanDerWaalsContact CG-O 3.31Å; P108-F137 WeakPolarHBondContact CG-O 3.37Å; P108-I139 HydrophobicContact CB-CG2 3.95Å; P108-P140 WeakPolarHBondContact O-CD 3.41Å
109E97.4Very high96Very high101 Ų10141.2 Ų41.247%0.47219%0.189SC..G310 helixtrans-65.1-19.1178.3-53.4-165.418000113.5E107 N138 P140E107-E109 PolarHBondContact O-N 3.05Å; E107-E109 VanDerWaalsContact O-N 3.1Å; E109-N138 HydrophobicContact CG-CB 3.68Å; E109-N138 WeakPolarHBondContact OE1-CB 3.4Å; E109-N138 PolarHBondContact OE1-ND2 3.04Å; E109-P140 VanDerWaalsContact O-CD 3.32Å; E109-P140 WeakPolarHBondContact O-CD 3.43Å; E109-P140 WeakPolarHBondContact O-CG 3.4Å
110D97.2Very high95.5Very high97 Ų9746.2 Ų46.252%0.51922%0.215SC..G310 helixtrans-95.8-7-178.4-69.5-27.9000113.7L5 E107 P108L5-D110 HydrophobicContact CD1-CB 3.91Å; E107-D110 PolarHBondContact O-N 3.42Å; P108-D110 PolarHBondContact O-N 2.75Å
111H98Very high95.3Very high15 Ų1547.1 Ų47.17%0.06922%0.22CC..  trans-125.5134.1-170.2-69.5-93.2000113.2P6 I8 Y21 E107 P108 F113 P140P6-H111 PolarHBondContact O-ND1 3.29Å; I8-H111 HydrophobicContact CD1-CB 3.62Å; I8-H111 HydrophobicContact CG1-CB 4.07Å; Y21-H111 AromaticContact CE1-CE1 3.54Å; Y21-H111 AromaticContact CE1-ND1 3.84Å; E107-H111 PolarHBondContact O-CD2 3.5Å; P108-H111 PolarHBondContact O-N 3.3Å; H111-F113 HydrophobicContact CB-CE2 4.05Å; H111-F113 WeakPolarHBondContact O-CD2 3.45Å; H111-F113 WeakPolarHBondContact O-CE2 3.26Å; H111-P140 WeakPolarHBondContact O-CD 3.43Å; H111-P140 WeakPolarHBondContact O-CG 3.08Å
112Y98.4Very high95.3Very high28 Ų2845.4 Ų45.411%0.1122%0.217CC..  trans-74150.2164.3-80.8-122.1000109.9H4 A7 I8 P140 G141 Y394 C397H4-Y112 AromaticContact ND1-CE2 3.98Å; A7-Y112 CarbonylContact C-O 3.57Å; A7-Y112 VanDerWaalsContact CA-O 3.23Å; A7-Y112 WeakPolarHBondContact CA-O 3.29Å; A7-Y112 WeakPolarHBondContact CB-O 3.33Å; I8-Y112 PolarHBondContact N-O 3.28Å; Y112-P140 HydrophobicContact CD2-CB 4.24Å; Y112-P140 HydrophobicContact CD2-CG 3.78Å; Y112-P140 HydrophobicContact CE2-CB 3.85Å; Y112-P140 HydrophobicContact CE2-CG 3.9Å; Y112-G141 WeakPolarHBondContact CA-O 3.36Å; Y112-Y394 AromaticContact CD1-CD1 3.84Å; Y112-Y394 HydrophobicContact CD1-CD1 3.84Å; Y112-Y394 HydrophobicContact CD1-CE1 4.4Å; Y112-Y394 HydrophobicContact CD2-CD1 4.06Å; Y112-Y394 HydrophobicContact CD2-CE1 4.1Å; Y112-Y394 HydrophobicContact CE1-CD1 4.11Å; Y112-Y394 HydrophobicContact CE2-CD1 4.33Å; Y112-Y394 AromaticContact CG-CD1 3.83Å; Y112-Y394 HydrophobicContact CG-CD1 3.83Å; Y112-Y394 AromaticContact CG-CE1 3.95Å; Y112-Y394 HydrophobicContact CG-CE1 3.95Å; Y112-C397 HydrophobicContact CD1-CB 3.69Å; Y112-C397 HydrophobicContact CE1-CB 3.75Å
113F98.6Very high95.4Very high0 Ų043.3 Ų43.30%021%0.213CC..EExtended strand (participates in β ladder)trans-119.6132.6-178.5-76.6-106.6000112.2I8 I10 I100 P108 H111 L115 M133 I139 G141 L142 Y143I8-F113 HydrophobicContact CB-CD1 3.76Å; I8-F113 HydrophobicContact CB-CE1 3.71Å; I8-F113 HydrophobicContact CB-CG 4.23Å; I8-F113 HydrophobicContact CB-CZ 4.12Å; I8-F113 HydrophobicContact CD1-CE1 3.75Å; I8-F113 HydrophobicContact CD1-CE2 3.94Å; I8-F113 HydrophobicContact CD1-CZ 3.38Å; I8-F113 HydrophobicContact CG1-CE1 4.34Å; I8-F113 HydrophobicContact CG1-CZ 4.33Å; I8-F113 HydrophobicContact CG2-CD1 3.59Å; I8-F113 HydrophobicContact CG2-CE1 3.44Å; I8-F113 VanDerWaalsContact CG2-CE1 3.44Å; I8-F113 HydrophobicContact CG2-CZ 4.25Å; I8-F113 CarbonylContact O-C 3.57Å; I8-F113 WeakPolarHBondContact O-CA 3.23Å; I10-F113 HydrophobicContact CD1-CD1 4.2Å; I10-F113 HydrophobicContact CD1-CE1 4.14Å; I100-F113 HydrophobicContact CD1-CE1 4.11Å; I100-F113 HydrophobicContact CD1-CZ 4.18Å; I100-F113 HydrophobicContact CG1-CE1 4.09Å; I100-F113 HydrophobicContact CG1-CZ 4.27Å; P108-F113 HydrophobicContact CB-CE2 4.31Å; P108-F113 HydrophobicContact CB-CZ 4.27Å; H111-F113 HydrophobicContact CB-CE2 4.05Å; H111-F113 WeakPolarHBondContact O-CD2 3.45Å; H111-F113 WeakPolarHBondContact O-CE2 3.26Å; F113-L115 HydrophobicContact CD1-CD2 4.45Å; F113-M133 HydrophobicContact CB-CE 4.16Å; F113-M133 HydrophobicContact CD1-CE 3.52Å; F113-M133 HydrophobicContact CD2-CE 4.13Å; F113-M133 HydrophobicContact CE1-CE 3.82Å; F113-M133 HydrophobicContact CE2-CE 4.42Å; F113-M133 HydrophobicContact CG-CE 3.67Å; F113-M133 HydrophobicContact CZ-CE 4.27Å; F113-I139 HydrophobicContact CB-CD1 3.97Å; F113-I139 HydrophobicContact CD2-CB 3.9Å; F113-I139 HydrophobicContact CD2-CD1 3.93Å; F113-I139 HydrophobicContact CD2-CG2 3.51Å; F113-I139 HydrophobicContact CE2-CB 4.11Å; F113-I139 HydrophobicContact CE2-CG2 3.36Å; F113-I139 HydrophobicContact CG-CD1 4.19Å; F113-I139 HydrophobicContact CG-CG2 4.43Å; F113-I139 HydrophobicContact CZ-CG2 4.14Å; F113-G141 PolarHBondContact N-O 2.97Å; F113-L142 HydrophobicContact CB-CD1 4.06Å; F113-L142 CarbonylContact O-C 3.56Å; F113-L142 WeakPolarHBondContact O-CA 3.38Å; F113-Y143 PolarHBondContact O-N 3.11Å
114L98.6Very high95.5Very high0 Ų044.1 Ų44.10%022%0.215CC..EExtended strand (participates in β ladder)trans-105.4112.4162.3-169.6160.3000108.5I8 V9 I10 T116 Y143 A145 L150 A388 F393I8-L114 PolarHBondContact O-N 2.61Å; V9-L114 WeakPolarHBondContact CA-O 3.39Å; V9-L114 HydrophobicContact CG1-CD2 4.25Å; V9-L114 HydrophobicContact CG2-CB 4.33Å; I10-L114 PolarHBondContact N-O 3.04Å; L114-T116 HydrophobicContact CD2-CG2 4.38Å; L114-Y143 WeakPolarHBondContact CA-O 3.46Å; L114-Y143 HydrophobicContact CD1-CD1 4.32Å; L114-Y143 HydrophobicContact CG-CD1 4.14Å; L114-A145 HydrophobicContact CD2-CB 3.79Å; L114-A145 HydrophobicContact CG-CB 4.25Å; L114-L150 HydrophobicContact CD2-CD1 4.05Å; L114-A388 HydrophobicContact CB-CB 4.35Å; L114-A388 HydrophobicContact CD1-CB 3.95Å; L114-F393 HydrophobicContact CB-CE2 4Å; L114-F393 HydrophobicContact CB-CZ 4.07Å; L114-F393 HydrophobicContact CD1-CE2 3.97Å; L114-F393 HydrophobicContact CG-CE2 4.3Å
115L98.5Very high95.6Very high3 Ų344.4 Ų44.42%0.01622%0.216CC..EExtended strand (participates in β ladder)trans-107155.3172.8-57-175.4000109.9I10 M96 F113 L129 M133 L142 Y143 I144 A145I10-L115 HydrophobicContact CB-CD2 3.65Å; I10-L115 HydrophobicContact CD1-CD2 4.06Å; I10-L115 HydrophobicContact CG1-CD2 4.22Å; I10-L115 HydrophobicContact CG2-CD2 4.39Å; M96-L115 HydrophobicContact CE-CD1 4.48Å; M96-L115 HydrophobicContact CE-CD2 4.07Å; F113-L115 HydrophobicContact CD1-CD2 4.45Å; L115-L129 HydrophobicContact CB-CD2 4.11Å; L115-L129 HydrophobicContact CD1-CD1 3.8Å; L115-L129 HydrophobicContact CD1-CD2 3.67Å; L115-L129 HydrophobicContact CD1-CG 3.74Å; L115-M133 HydrophobicContact CD1-CE 4.3Å; L115-M133 HydrophobicContact CD1-CG 3.7Å; L115-M133 HydrophobicContact CD1-SD 3.85Å; L115-L142 HydrophobicContact CD1-CD1 3.85Å; L115-L142 HydrophobicContact CG-CD1 3.91Å; L115-Y143 PolarHBondContact N-O 3.46Å; L115-I144 CarbonylContact O-C 3.25Å; L115-I144 WeakPolarHBondContact O-CA 3.48Å; L115-A145 PolarHBondContact O-N 2.89Å
116T97.3Very high95.7Very high14 Ų1436 Ų369%0.08618%0.184CC..EExtended strand (participates in β ladder)trans-108.1150.1-178.767.10000112.3I10 D11 N12 L114 A145 L150 V380I10-T116 PolarHBondContact O-N 2.9Å; D11-T116 WeakPolarHBondContact CA-OG1 3.39Å; D11-T116 HydrophobicContact CB-CG2 3.89Å; D11-T116 PolarHBondContact OD1-OG1 3.15Å; N12-T116 PolarHBondContact N-OG1 3.35Å; L114-T116 HydrophobicContact CD2-CG2 4.38Å; T116-A145 CarbonylContact C-O 3.59Å; T116-A145 VanDerWaalsContact CA-O 3.28Å; T116-A145 WeakPolarHBondContact CA-O 3.44Å; T116-L150 HydrophobicContact CG2-CD1 3.84Å; T116-V380 HydrophobicContact CG2-CG1 3.66Å
117E95.2Very high95.8Very high9 Ų937.3 Ų37.34%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-129.5148.7170.165.4172.3-168.600112.9N121 R126 I144 A145 V146 Q147E117-N121 HydrophobicContact CB-CB 3.96Å; E117-N121 HydrophobicContact CG-CB 4.37Å; E117-N121 WeakPolarHBondContact OE2-CB 3.13Å; E117-N121 PolarHBondContact OE2-ND2 3.24Å; E117-R126 IonicContact OE1-CZ 2.85Å; E117-R126 VanDerWaalsContact OE1-CZ 3.24Å; E117-R126 IonicContact OE1-NE 2.73Å; E117-R126 PolarHBondContact OE1-NE 3.35Å; E117-R126 IonicContact OE1-NH2 3.01Å; E117-R126 PolarHBondContact OE1-NH2 3.38Å; E117-R126 VanDerWaalsContact OE2-CG 3.32Å; E117-R126 WeakPolarHBondContact OE2-CG 3.46Å; E117-R126 IonicContact OE2-CZ 3.88Å; E117-R126 IonicContact OE2-NE 3.09Å; E117-R126 PolarHBondContact OE2-NE 2.97Å; E117-R126 IonicContact OE2-NH2 2.65Å; E117-R126 PolarHBondContact OE2-NH2 3.21Å; E117-I144 HydrophobicContact CB-CG2 3.95Å; E117-I144 HydrophobicContact CG-CG2 3.86Å; E117-A145 PolarHBondContact N-O 3.48Å; E117-V146 HydrophobicContact CG-CG2 4.24Å; E117-Q147 VanDerWaalsContact O-CG 3.24Å; E117-Q147 WeakPolarHBondContact O-CG 3.5Å; E117-Q147 PolarHBondContact O-N 3.38Å
118P92.2Very high95.9Very high9 Ų937.8 Ų37.86%0.05819%0.188CC..  trans-69.3159.8174.232.6-39.2000112.1G84 I85 L120 N121G84-P118 VanDerWaalsContact O-CG 3.3Å; G84-P118 WeakPolarHBondContact O-CG 3.5Å; I85-P118 HydrophobicContact CD1-CG 3.52Å; I85-P118 HydrophobicContact CG1-CG 4.41Å; P118-L120 PolarHBondContact O-N 3.02Å; P118-N121 HydrophobicContact CG-CB 4.13Å; P118-N121 PolarHBondContact O-N 3.45Å
119P82.7Confident95.9Very high6 Ų638.2 Ų38.24%0.03919%0.19CC..THydrogen-bonded Turntrans-60.4129.517032.1-39.6000109.2H179 I181 I193P119-H179 HydrophobicContact CG-CB 4.33Å; P119-I181 HydrophobicContact CB-CD1 3.92Å; P119-I181 HydrophobicContact CB-CG1 4.15Å; P119-I181 HydrophobicContact CB-CG2 4.31Å; P119-I181 HydrophobicContact CG-CD1 3.52Å; P119-I181 HydrophobicContact CG-CG1 3.96Å; P119-I193 HydrophobicContact CB-CD1 3.87Å
120L85.5Confident95.9Very high105 Ų10533.4 Ų33.455%0.5517%0.167SC..THydrogen-bonded Turntrans79.218.1-175.7-47.9174.1000116.7P118 I193P118-L120 PolarHBondContact O-N 3.02Å; L120-I193 HydrophobicContact CD1-CD1 4.26Å; L120-I193 HydrophobicContact CD2-CD1 3.71Å; L120-I193 HydrophobicContact CG-CD1 3.74Å
121N93.6Very high96Very high20 Ų2033 Ų3311%0.10716%0.163CC..  trans-61138166-168.540.4000111.5I85 E117 P118 N125 R126I85-N121 HydrophobicContact CD1-CB 4.43Å; E117-N121 HydrophobicContact CB-CB 3.96Å; E117-N121 HydrophobicContact CG-CB 4.37Å; E117-N121 WeakPolarHBondContact OE2-CB 3.13Å; E117-N121 PolarHBondContact OE2-ND2 3.24Å; P118-N121 HydrophobicContact CG-CB 4.13Å; P118-N121 PolarHBondContact O-N 3.45Å; N121-N125 WeakPolarHBondContact OD1-CB 3.23Å; N121-N125 PolarHBondContact OD1-ND2 3.22Å; N121-R126 PolarHBondContact O-NH2 3.41Å; N121-R126 VanDerWaalsContact O-NH2 3.1Å
122T95.6Very high96Very high59 Ų5932.8 Ų32.836%0.36216%0.162SC..  trans-73.4149.8-17761.50000111.2E124 N125 R126T122-E124 WeakPolarHBondContact CB-OE2 3.39Å; T122-E124 PolarHBondContact O-N 2.88Å; T122-N125 PolarHBondContact O-N 3.3Å; T122-N125 WeakPolarHBondContact OG1-CB 3.5Å; T122-N125 PolarHBondContact OG1-N 3.46Å; T122-N125 PolarHBondContact OG1-ND2 3.26Å; T122-N125 PolarHBondContact OG1-OD1 3.41Å; T122-R126 PolarHBondContact O-N 3.33Å
123P96.7Very high96Very high44 Ų4431.5 Ų31.529%0.28616%0.157SC..Hα-helixtrans-56.5-35.1171.6-23.933.9000112.8N125 R126 E127 R412P123-N125 PolarHBondContact O-N 3.02Å; P123-R126 WeakPolarHBondContact O-CB 3.28Å; P123-R126 PolarHBondContact O-N 2.9Å; P123-R126 VanDerWaalsContact O-N 3.1Å; P123-E127 PolarHBondContact O-N 3.47Å; P123-E127 VanDerWaalsContact O-N 3.14Å; P123-R412 HydrophobicContact CB-CB 4.18Å; P123-R412 HydrophobicContact CB-CG 3.81Å
124E97.8Very high96Very high76 Ų7631.6 Ų31.636%0.35516%0.157SC..Hα-helixtrans-63.5-40.7178.5-65.365.4-140.100111.2T122 R126 E127 Y128 R412T122-E124 WeakPolarHBondContact CB-OE2 3.39Å; T122-E124 PolarHBondContact O-N 2.88Å; E124-R126 PolarHBondContact O-N 3.05Å; E124-E127 WeakPolarHBondContact O-CB 3.5Å; E124-E127 PolarHBondContact O-N 3.46Å; E124-E127 VanDerWaalsContact O-N 3.11Å; E124-Y128 HydrophobicContact CB-CE2 4.45Å; E124-Y128 WeakPolarHBondContact O-CD2 3.4Å; E124-Y128 PolarHBondContact O-N 2.99Å; E124-R412 IonicContact OE1-CZ 2.66Å; E124-R412 IonicContact OE1-NH1 3.45Å; E124-R412 PolarHBondContact OE1-NH1 2.93Å; E124-R412 IonicContact OE1-NH2 3.01Å; E124-R412 PolarHBondContact OE1-NH2 3.06Å
125N97.8Very high95.9Very high22 Ų2237 Ų3712%0.11818%0.183CC..Hα-helixtrans-63.4-31.8173.9-73.9-6.5000112.3W89 N121 T122 P123 E127 L129W89-N125 HydrophobicContact CH2-CB 4.24Å; W89-N125 WeakPolarHBondContact CH2-O 3.18Å; W89-N125 HydrophobicContact CZ2-CB 3.86Å; N121-N125 WeakPolarHBondContact OD1-CB 3.23Å; N121-N125 PolarHBondContact OD1-ND2 3.22Å; T122-N125 PolarHBondContact O-N 3.3Å; T122-N125 WeakPolarHBondContact OG1-CB 3.5Å; T122-N125 PolarHBondContact OG1-N 3.46Å; T122-N125 PolarHBondContact OG1-ND2 3.26Å; T122-N125 PolarHBondContact OG1-OD1 3.41Å; P123-N125 PolarHBondContact O-N 3.02Å; N125-E127 VanDerWaalsContact C-N 3.34Å; N125-L129 WeakPolarHBondContact O-CB 3.32Å; N125-L129 PolarHBondContact O-N 3.13Å
126R98.1Very high95.9Very high37 Ų3740 Ų4014%0.1420%0.201CC..Hα-helixtrans-67.9-36.9174.2-60.9-176.1-170.8101.221.4111.6E117 N121 T122 P123 E124 A130 I144 C411 R412E117-R126 IonicContact OE1-CZ 2.85Å; E117-R126 VanDerWaalsContact OE1-CZ 3.24Å; E117-R126 IonicContact OE1-NE 2.73Å; E117-R126 PolarHBondContact OE1-NE 3.35Å; E117-R126 IonicContact OE1-NH2 3.01Å; E117-R126 PolarHBondContact OE1-NH2 3.38Å; E117-R126 VanDerWaalsContact OE2-CG 3.32Å; E117-R126 WeakPolarHBondContact OE2-CG 3.46Å; E117-R126 IonicContact OE2-CZ 3.88Å; E117-R126 IonicContact OE2-NE 3.09Å; E117-R126 PolarHBondContact OE2-NE 2.97Å; E117-R126 IonicContact OE2-NH2 2.65Å; E117-R126 PolarHBondContact OE2-NH2 3.21Å; N121-R126 PolarHBondContact O-NH2 3.41Å; N121-R126 VanDerWaalsContact O-NH2 3.1Å; T122-R126 PolarHBondContact O-N 3.33Å; P123-R126 WeakPolarHBondContact O-CB 3.28Å; P123-R126 PolarHBondContact O-N 2.9Å; P123-R126 VanDerWaalsContact O-N 3.1Å; E124-R126 PolarHBondContact O-N 3.05Å; R126-A130 WeakPolarHBondContact O-CB 3.48Å; R126-A130 PolarHBondContact O-N 3.35Å; R126-I144 HydrophobicContact CB-CD1 3.85Å; R126-I144 HydrophobicContact CG-CD1 4.2Å; R126-C411 VanDerWaalsContact CD-O 3.3Å; R126-C411 WeakPolarHBondContact CD-O 3.44Å; R126-R412 PolarHBondContact NH1-O 3.12Å
127E98.2Very high95.9Very high35 Ų3539.8 Ų39.816%0.16420%0.199CC..Hα-helixtrans-66.1-47.5175.8-66.3-175.4154.400111.3P123 E124 N125 L129 A130 E131 P408 A409 R412P123-E127 PolarHBondContact O-N 3.47Å; P123-E127 VanDerWaalsContact O-N 3.14Å; E124-E127 WeakPolarHBondContact O-CB 3.5Å; E124-E127 PolarHBondContact O-N 3.46Å; E124-E127 VanDerWaalsContact O-N 3.11Å; N125-E127 VanDerWaalsContact C-N 3.34Å; E127-L129 VanDerWaalsContact C-N 3.29Å; E127-L129 PolarHBondContact O-N 2.83Å; E127-A130 WeakPolarHBondContact O-CB 3.42Å; E127-A130 PolarHBondContact O-N 3.18Å; E127-A130 VanDerWaalsContact O-N 3.09Å; E127-E131 WeakPolarHBondContact O-CB 3.42Å; E127-E131 PolarHBondContact O-N 3.42Å; E127-P408 HydrophobicContact CB-CB 4.02Å; E127-P408 HydrophobicContact CG-CB 4Å; E127-A409 WeakPolarHBondContact OE1-CA 3.33Å; E127-R412 VanDerWaalsContact CD-NE 3.32Å; E127-R412 HydrophobicContact CG-CG 4.08Å; E127-R412 IonicContact OE1-CZ 2.78Å; E127-R412 VanDerWaalsContact OE1-CZ 3.3Å; E127-R412 IonicContact OE1-NE 2.78Å; E127-R412 PolarHBondContact OE1-NE 2.93Å; E127-R412 IonicContact OE1-NH2 2.67Å; E127-R412 PolarHBondContact OE1-NH2 3.21Å; E127-R412 VanDerWaalsContact OE1-NH2 3.11Å; E127-R412 IonicContact OE2-CZ 3.33Å; E127-R412 IonicContact OE2-NE 3.24Å; E127-R412 IonicContact OE2-NH2 3.71Å; E127-R412 PolarHBondContact OE2-NH2 2.69Å
128Y98Very high96Very high111 Ų11142.1 Ų42.144%0.43521%0.212SC..Hα-helixtrans-60.6-38.6175.9-62.6-39.7000112.6W89 E124 E131 I132W89-Y128 AromaticContact CE2-CD2 3.85Å; W89-Y128 AromaticContact CZ2-CD2 3.98Å; W89-Y128 HydrophobicContact CZ2-CD2 3.98Å; W89-Y128 HydrophobicContact CZ2-CG 4.38Å; W89-Y128 AromaticContact NE1-CD2 3.84Å; E124-Y128 HydrophobicContact CB-CE2 4.45Å; E124-Y128 WeakPolarHBondContact O-CD2 3.4Å; E124-Y128 PolarHBondContact O-N 2.99Å; Y128-E131 PolarHBondContact O-N 3.03Å; Y128-I132 WeakPolarHBondContact O-CG1 3.41Å; Y128-I132 PolarHBondContact O-N 3.39Å; Y128-I132 VanDerWaalsContact O-N 3.14Å
129L97.8Very high96.3Very high12 Ų1241.7 Ų41.76%0.06321%0.209CC..Hα-helixtrans-65.5-42.5174.4-171.661.3000111.4W89 L115 N125 E127 I132 M133 I144W89-L129 HydrophobicContact CH2-CB 4.17Å; W89-L129 HydrophobicContact CZ3-CB 4.06Å; W89-L129 HydrophobicContact CZ3-CD1 4.32Å; L115-L129 HydrophobicContact CB-CD2 4.11Å; L115-L129 HydrophobicContact CD1-CD1 3.8Å; L115-L129 HydrophobicContact CD1-CD2 3.67Å; L115-L129 HydrophobicContact CD1-CG 3.74Å; N125-L129 WeakPolarHBondContact O-CB 3.32Å; N125-L129 PolarHBondContact O-N 3.13Å; E127-L129 VanDerWaalsContact C-N 3.29Å; E127-L129 PolarHBondContact O-N 2.83Å; L129-I132 PolarHBondContact O-N 2.87Å; L129-M133 VanDerWaalsContact O-CG 3.22Å; L129-M133 WeakPolarHBondContact O-CG 3.36Å; L129-M133 PolarHBondContact O-N 2.93Å; L129-I144 HydrophobicContact CD2-CD1 4.09Å; L129-I144 HydrophobicContact CD2-CG1 4.25Å
130A98.4Very high97.1Very high0 Ų043 Ų430%022%0.217CC..Hα-helixtrans-63.9-41.3177.200000112.2R126 E127 M133 F134 L142 Y403 C411R126-A130 WeakPolarHBondContact O-CB 3.48Å; R126-A130 PolarHBondContact O-N 3.35Å; E127-A130 WeakPolarHBondContact O-CB 3.42Å; E127-A130 PolarHBondContact O-N 3.18Å; E127-A130 VanDerWaalsContact O-N 3.09Å; A130-M133 PolarHBondContact O-N 2.97Å; A130-F134 HydrophobicContact CB-CD2 4.21Å; A130-F134 HydrophobicContact CB-CE2 4.44Å; A130-F134 WeakPolarHBondContact O-CB 3.42Å; A130-F134 WeakPolarHBondContact O-CD2 3.42Å; A130-F134 PolarHBondContact O-N 2.89Å; A130-L142 HydrophobicContact CB-CD2 4.01Å; A130-Y403 HydrophobicContact CB-CD2 4.41Å; A130-Y403 HydrophobicContact CB-CE2 3.97Å; A130-C411 HydrophobicContact CB-CB 3.77Å; A130-C411 VanDerWaalsContact CB-SG 3.54Å
131E98.2Very high97.6Very high89 Ų8938 Ų3842%0.41619%0.191SC..Hα-helixtrans-56.4-51.1175.1-176.4179.5-177.200110.9E127 Y128 M133 E135 Y403E127-E131 WeakPolarHBondContact O-CB 3.42Å; E127-E131 PolarHBondContact O-N 3.42Å; Y128-E131 PolarHBondContact O-N 3.03Å; E131-M133 VanDerWaalsContact C-N 3.33Å; E131-M133 PolarHBondContact O-N 3.34Å; E131-E135 HydrophobicContact CG-CG 4.36Å; E131-E135 WeakPolarHBondContact O-CA 3.31Å; E131-E135 WeakPolarHBondContact O-CB 3.36Å; E131-E135 PolarHBondContact O-N 2.93Å; E131-Y403 WeakPolarHBondContact CA-OH 3.44Å
132I98Very high97.9Very high10 Ų1037 Ų375%0.05119%0.186CC..Iπ-helixtrans-56.4-49175.3-70.1169.2000110.7W89 Q93 Y128 L129 T136 F137W89-I132 HydrophobicContact CE3-CD1 3.62Å; W89-I132 HydrophobicContact CZ3-CD1 4.14Å; Q93-I132 HydrophobicContact CB-CD1 4.07Å; Q93-I132 HydrophobicContact CB-CG1 4.34Å; Q93-I132 HydrophobicContact CB-CG2 4.37Å; Q93-I132 HydrophobicContact CG-CG1 4.49Å; Q93-I132 HydrophobicContact CG-CG2 4.14Å; Y128-I132 WeakPolarHBondContact O-CG1 3.41Å; Y128-I132 PolarHBondContact O-N 3.39Å; Y128-I132 VanDerWaalsContact O-N 3.14Å; L129-I132 PolarHBondContact O-N 2.87Å; I132-T136 WeakPolarHBondContact O-CA 3.09Å; I132-T136 WeakPolarHBondContact O-CB 3.34Å; I132-T136 PolarHBondContact O-N 3.46Å; I132-T136 VanDerWaalsContact O-N 3.12Å; I132-F137 HydrophobicContact CG2-CD2 3.95Å; I132-F137 HydrophobicContact CG2-CE2 3.49Å; I132-F137 VanDerWaalsContact CG2-CE2 3.49Å; I132-F137 HydrophobicContact CG2-CZ 4.44Å; I132-F137 PolarHBondContact O-N 2.68Å
133M98.5Very high98Very high0 Ų034.8 Ų34.80%017%0.171CC..Iπ-helixtrans-70.8-43.9-172.4-65.1-55.7-61.400113.3M96 I100 F113 L115 L129 A130 E131 F137 N138 I139 L142M96-M133 HydrophobicContact CE-CE 4.3Å; M96-M133 HydrophobicContact CE-SD 3.75Å; I100-M133 HydrophobicContact CD1-CE 4.42Å; F113-M133 HydrophobicContact CB-CE 4.16Å; F113-M133 HydrophobicContact CD1-CE 3.52Å; F113-M133 HydrophobicContact CD2-CE 4.13Å; F113-M133 HydrophobicContact CE1-CE 3.82Å; F113-M133 HydrophobicContact CE2-CE 4.42Å; F113-M133 HydrophobicContact CG-CE 3.67Å; F113-M133 HydrophobicContact CZ-CE 4.27Å; L115-M133 HydrophobicContact CD1-CE 4.3Å; L115-M133 HydrophobicContact CD1-CG 3.7Å; L115-M133 HydrophobicContact CD1-SD 3.85Å; L129-M133 VanDerWaalsContact O-CG 3.22Å; L129-M133 WeakPolarHBondContact O-CG 3.36Å; L129-M133 PolarHBondContact O-N 2.93Å; A130-M133 PolarHBondContact O-N 2.97Å; E131-M133 VanDerWaalsContact C-N 3.33Å; E131-M133 PolarHBondContact O-N 3.34Å; M133-F137 HydrophobicContact CE-CD2 4.36Å; M133-F137 CarbonylContact O-C 3.57Å; M133-F137 WeakPolarHBondContact O-CB 3.28Å; M133-F137 PolarHBondContact O-N 3.04Å; M133-F137 HydrophobicContact SD-CD2 3.83Å; M133-F137 HydrophobicContact SD-CE2 4.28Å; M133-N138 PolarHBondContact O-N 3.23Å; M133-I139 HydrophobicContact CB-CD1 3.59Å; M133-I139 HydrophobicContact CB-CG1 4.07Å; M133-I139 HydrophobicContact CE-CD1 3.91Å; M133-I139 HydrophobicContact CE-CG2 3.95Å; M133-I139 HydrophobicContact CG-CD1 4.38Å; M133-I139 WeakPolarHBondContact O-CG1 3.4Å; M133-I139 PolarHBondContact O-N 3.16Å; M133-L142 HydrophobicContact CB-CD2 4.21Å; M133-L142 HydrophobicContact CG-CD1 4.28Å; M133-L142 HydrophobicContact CG-CD2 4.4Å
134F98.5Very high98.1Very high2 Ų232.8 Ų32.81%0.00916%0.158CC..Iπ-helixtrans-82.7-42.5-178.5-72.8-61.7000113.1A130 N138 I139 L142 H398 K400 Y403A130-F134 HydrophobicContact CB-CD2 4.21Å; A130-F134 HydrophobicContact CB-CE2 4.44Å; A130-F134 WeakPolarHBondContact O-CB 3.42Å; A130-F134 WeakPolarHBondContact O-CD2 3.42Å; A130-F134 PolarHBondContact O-N 2.89Å; F134-N138 VanDerWaalsContact O-CA 3.27Å; F134-N138 WeakPolarHBondContact O-CA 3.26Å; F134-N138 PolarHBondContact O-N 2.82Å; F134-N138 PolarHBondContact O-OD1 2.83Å; F134-I139 HydrophobicContact CD1-CG1 3.8Å; F134-I139 VanDerWaalsContact CD1-O 3.28Å; F134-I139 WeakPolarHBondContact CD1-O 3.3Å; F134-I139 HydrophobicContact CE1-CD1 4.41Å; F134-I139 HydrophobicContact CE1-CG1 3.87Å; F134-I139 WeakPolarHBondContact CE1-O 3.47Å; F134-I139 HydrophobicContact CG-CG1 4.49Å; F134-L142 HydrophobicContact CE1-CB 4.4Å; F134-L142 HydrophobicContact CE2-CB 3.81Å; F134-L142 HydrophobicContact CE2-CD2 4.05Å; F134-L142 HydrophobicContact CZ-CB 3.56Å; F134-H398 WeakPolarHBondContact CZ-O 3.37Å; F134-K400 HydrophobicContact CD1-CB 3.89Å; F134-K400 HydrophobicContact CD1-CG 3.97Å; F134-K400 HydrophobicContact CE1-CB 4.01Å; F134-Y403 HydrophobicContact CB-CD1 3.77Å; F134-Y403 HydrophobicContact CB-CD2 4.39Å; F134-Y403 HydrophobicContact CB-CE1 3.91Å; F134-Y403 HydrophobicContact CB-CE2 4.48Å; F134-Y403 HydrophobicContact CB-CG 4.04Å; F134-Y403 HydrophobicContact CD2-CD1 4.11Å; F134-Y403 AromaticContact CD2-CD2 3.3Å; F134-Y403 HydrophobicContact CD2-CD2 3.3Å; F134-Y403 AromaticContact CD2-CE2 3.81Å; F134-Y403 HydrophobicContact CD2-CE2 3.81Å; F134-Y403 AromaticContact CD2-CG 3.47Å; F134-Y403 HydrophobicContact CD2-CG 3.47Å; F134-Y403 VanDerWaalsContact CD2-CG 3.47Å; F134-Y403 AromaticContact CE2-CD2 3.8Å; F134-Y403 HydrophobicContact CE2-CD2 3.8Å; F134-Y403 HydrophobicContact CE2-CG 4.03Å; F134-Y403 HydrophobicContact CG-CD1 4.05Å; F134-Y403 HydrophobicContact CG-CD2 4.09Å; F134-Y403 AromaticContact CG-CG 3.82Å; F134-Y403 HydrophobicContact CG-CG 3.82Å
135E98.1Very high98Very high115 Ų11529.3 Ų29.354%0.53714%0.142SC..Iπ-helixtrans-86.7-35.6-173-54.6-170.2-164.200112.5E131 Y403E131-E135 HydrophobicContact CG-CG 4.36Å; E131-E135 WeakPolarHBondContact O-CA 3.31Å; E131-E135 WeakPolarHBondContact O-CB 3.36Å; E131-E135 PolarHBondContact O-N 2.93Å; E135-Y403 HydrophobicContact CG-CE1 3.89Å; E135-Y403 PolarHBondContact OE1-OH 3.21Å
136T97.2Very high97.9Very high66 Ų6630 Ų3041%0.40515%0.147SC..Iπ-helixtrans-88.8-47.3178-530000111.8Q93 I132Q93-T136 HydrophobicContact CG-CG2 4.42Å; I132-T136 WeakPolarHBondContact O-CA 3.09Å; I132-T136 WeakPolarHBondContact O-CB 3.34Å; I132-T136 PolarHBondContact O-N 3.46Å; I132-T136 VanDerWaalsContact O-N 3.12Å
137F97.9Very high97.7Very high9 Ų928.9 Ų28.94%0.03914%0.143CC..SBendtrans-98.8-1.3-173.9-58-56000114.4M96 E97 I100 F101 P108 I132 M133 I139M96-F137 HydrophobicContact CB-CE2 3.66Å; M96-F137 HydrophobicContact CB-CZ 3.84Å; E97-F137 HydrophobicContact CB-CE1 4.15Å; E97-F137 HydrophobicContact CB-CZ 4.21Å; E97-F137 HydrophobicContact CG-CE1 4.47Å; I100-F137 HydrophobicContact CD1-CB 4.45Å; I100-F137 HydrophobicContact CD1-CD1 4.06Å; I100-F137 HydrophobicContact CD1-CD2 3.79Å; I100-F137 HydrophobicContact CD1-CE1 4.25Å; I100-F137 HydrophobicContact CD1-CE2 3.98Å; I100-F137 HydrophobicContact CD1-CG 3.84Å; I100-F137 HydrophobicContact CD1-CZ 4.21Å; F101-F137 HydrophobicContact CE2-CD1 4Å; F101-F137 AromaticContact CE2-CE1 4Å; F101-F137 HydrophobicContact CE2-CE1 4Å; F101-F137 HydrophobicContact CZ-CD1 4.41Å; P108-F137 HydrophobicContact CB-CB 4.04Å; P108-F137 VanDerWaalsContact CB-O 3.31Å; P108-F137 WeakPolarHBondContact CB-O 3.39Å; P108-F137 HydrophobicContact CG-CB 4.28Å; P108-F137 VanDerWaalsContact CG-O 3.31Å; P108-F137 WeakPolarHBondContact CG-O 3.37Å; I132-F137 HydrophobicContact CG2-CD2 3.95Å; I132-F137 HydrophobicContact CG2-CE2 3.49Å; I132-F137 VanDerWaalsContact CG2-CE2 3.49Å; I132-F137 HydrophobicContact CG2-CZ 4.44Å; I132-F137 PolarHBondContact O-N 2.68Å; M133-F137 HydrophobicContact CE-CD2 4.36Å; M133-F137 CarbonylContact O-C 3.57Å; M133-F137 WeakPolarHBondContact O-CB 3.28Å; M133-F137 PolarHBondContact O-N 3.04Å; M133-F137 HydrophobicContact SD-CD2 3.83Å; M133-F137 HydrophobicContact SD-CE2 4.28Å; F137-I139 HydrophobicContact CB-CG2 4.02Å; F137-I139 PolarHBondContact O-N 2.86Å; F137-I139 VanDerWaalsContact O-N 3.08Å
138N98Very high97.5Very high58 Ų5827.2 Ų27.231%0.3114%0.136SC..  trans54.628175.7-77.2-22.6000115.1E109 M133 F134 K400E109-N138 HydrophobicContact CG-CB 3.68Å; E109-N138 WeakPolarHBondContact OE1-CB 3.4Å; E109-N138 PolarHBondContact OE1-ND2 3.04Å; M133-N138 PolarHBondContact O-N 3.23Å; F134-N138 VanDerWaalsContact O-CA 3.27Å; F134-N138 WeakPolarHBondContact O-CA 3.26Å; F134-N138 PolarHBondContact O-N 2.82Å; F134-N138 PolarHBondContact O-OD1 2.83Å; N138-K400 PolarHBondContact OD1-NZ 3.3Å
139I98.3Very high97.3Very high0 Ų022.5 Ų22.50%012%0.118CC..  trans-63.1146.8-174.669.1168.7000111.9P108 F113 M133 F134 F137 L142 K400P108-I139 HydrophobicContact CB-CG2 3.95Å; F113-I139 HydrophobicContact CB-CD1 3.97Å; F113-I139 HydrophobicContact CD2-CB 3.9Å; F113-I139 HydrophobicContact CD2-CD1 3.93Å; F113-I139 HydrophobicContact CD2-CG2 3.51Å; F113-I139 HydrophobicContact CE2-CB 4.11Å; F113-I139 HydrophobicContact CE2-CG2 3.36Å; F113-I139 HydrophobicContact CG-CD1 4.19Å; F113-I139 HydrophobicContact CG-CG2 4.43Å; F113-I139 HydrophobicContact CZ-CG2 4.14Å; M133-I139 HydrophobicContact CB-CD1 3.59Å; M133-I139 HydrophobicContact CB-CG1 4.07Å; M133-I139 HydrophobicContact CE-CD1 3.91Å; M133-I139 HydrophobicContact CE-CG2 3.95Å; M133-I139 HydrophobicContact CG-CD1 4.38Å; M133-I139 WeakPolarHBondContact O-CG1 3.4Å; M133-I139 PolarHBondContact O-N 3.16Å; F134-I139 HydrophobicContact CD1-CG1 3.8Å; F134-I139 VanDerWaalsContact CD1-O 3.28Å; F134-I139 WeakPolarHBondContact CD1-O 3.3Å; F134-I139 HydrophobicContact CE1-CD1 4.41Å; F134-I139 HydrophobicContact CE1-CG1 3.87Å; F134-I139 WeakPolarHBondContact CE1-O 3.47Å; F134-I139 HydrophobicContact CG-CG1 4.49Å; F137-I139 HydrophobicContact CB-CG2 4.02Å; F137-I139 PolarHBondContact O-N 2.86Å; F137-I139 VanDerWaalsContact O-N 3.08Å; I139-L142 HydrophobicContact CD1-CB 3.82Å; I139-L142 HydrophobicContact CD1-CD1 3.95Å; I139-L142 HydrophobicContact CD1-CG 4.35Å; I139-K400 WeakPolarHBondContact O-CB 3.43Å
140P97.9Very high97.2Very high33 Ų3322 Ų2221%0.21412%0.116CC..SBendtrans-73.6-28.4-179.827.5-36.3000113.3P108 E109 H111 Y112 T399 K400P108-P140 WeakPolarHBondContact O-CD 3.41Å; E109-P140 VanDerWaalsContact O-CD 3.32Å; E109-P140 WeakPolarHBondContact O-CD 3.43Å; E109-P140 WeakPolarHBondContact O-CG 3.4Å; H111-P140 WeakPolarHBondContact O-CD 3.43Å; H111-P140 WeakPolarHBondContact O-CG 3.08Å; Y112-P140 HydrophobicContact CD2-CB 4.24Å; Y112-P140 HydrophobicContact CD2-CG 3.78Å; Y112-P140 HydrophobicContact CE2-CB 3.85Å; Y112-P140 HydrophobicContact CE2-CG 3.9Å; P140-T399 WeakPolarHBondContact O-CA 3.27Å; P140-K400 PolarHBondContact O-N 3.23Å
141G98Very high97.1Very high0 Ų022 Ų220%012%0.116CC..EExtended strand (participates in β ladder)trans-165.4148.3177.700000115.1Y112 F113 H398Y112-G141 WeakPolarHBondContact CA-O 3.36Å; F113-G141 PolarHBondContact N-O 2.97Å; G141-H398 CarbonylContact C-O 3.57Å; G141-H398 WeakPolarHBondContact CA-O 3.29Å
142L98.7Very high96.8Very high0 Ų017.8 Ų17.80%010%0.096CC..EExtended strand (participates in β ladder)trans-128.6140.9-172.8-174.659.6000111.4F113 L115 A130 M133 F134 I139 I144 H398F113-L142 HydrophobicContact CB-CD1 4.06Å; F113-L142 CarbonylContact O-C 3.56Å; F113-L142 WeakPolarHBondContact O-CA 3.38Å; L115-L142 HydrophobicContact CD1-CD1 3.85Å; L115-L142 HydrophobicContact CG-CD1 3.91Å; A130-L142 HydrophobicContact CB-CD2 4.01Å; M133-L142 HydrophobicContact CB-CD2 4.21Å; M133-L142 HydrophobicContact CG-CD1 4.28Å; M133-L142 HydrophobicContact CG-CD2 4.4Å; F134-L142 HydrophobicContact CE1-CB 4.4Å; F134-L142 HydrophobicContact CE2-CB 3.81Å; F134-L142 HydrophobicContact CE2-CD2 4.05Å; F134-L142 HydrophobicContact CZ-CB 3.56Å; I139-L142 HydrophobicContact CD1-CB 3.82Å; I139-L142 HydrophobicContact CD1-CD1 3.95Å; I139-L142 HydrophobicContact CD1-CG 4.35Å; L142-I144 HydrophobicContact CD2-CD1 4.23Å; L142-I144 HydrophobicContact CD2-CG1 4.19Å; L142-I144 HydrophobicContact CG-CG1 4.18Å; L142-H398 PolarHBondContact N-O 3.31Å; L142-H398 PolarHBondContact O-N 3.43Å
143Y98.4Very high96.5Very high12 Ų1217.5 Ų17.55%0.04710%0.095CC..EExtended strand (participates in β ladder)trans-133.6128.1164.6-175.2-90.3000109.8F113 L114 L115 A145 F393 V396 N414 P415 F417F113-Y143 PolarHBondContact O-N 3.11Å; L114-Y143 WeakPolarHBondContact CA-O 3.46Å; L114-Y143 HydrophobicContact CD1-CD1 4.32Å; L114-Y143 HydrophobicContact CG-CD1 4.14Å; L115-Y143 PolarHBondContact N-O 3.46Å; Y143-A145 HydrophobicContact CD1-CB 3.89Å; Y143-A145 HydrophobicContact CE1-CB 3.59Å; Y143-F393 HydrophobicContact CG-CE2 4.22Å; Y143-V396 HydrophobicContact CD2-CG2 4.01Å; Y143-V396 HydrophobicContact CE2-CB 4.47Å; Y143-V396 HydrophobicContact CE2-CG2 3.95Å; Y143-N414 HydrophobicContact CD2-CB 4.15Å; Y143-N414 HydrophobicContact CE2-CB 3.79Å; Y143-P415 WeakPolarHBondContact CE2-O 3.34Å; Y143-P415 PolarHBondContact OH-O 3.08Å; Y143-F417 HydrophobicContact CE1-CE1 4.13Å; Y143-F417 HydrophobicContact CE2-CD1 4.23Å; Y143-F417 HydrophobicContact CE2-CE1 4.01Å; Y143-F417 AromaticContact CZ-CE1 3.76Å
144I98.1Very high96.2Very high2 Ų217.5 Ų17.51%0.0110%0.095CC..EExtended strand (participates in β ladder)trans-104.8107.6177.1-54.3169.9000108.4L115 E117 R126 L129 L142 C411 N414L115-I144 CarbonylContact O-C 3.25Å; L115-I144 WeakPolarHBondContact O-CA 3.48Å; E117-I144 HydrophobicContact CB-CG2 3.95Å; E117-I144 HydrophobicContact CG-CG2 3.86Å; R126-I144 HydrophobicContact CB-CD1 3.85Å; R126-I144 HydrophobicContact CG-CD1 4.2Å; L129-I144 HydrophobicContact CD2-CD1 4.09Å; L129-I144 HydrophobicContact CD2-CG1 4.25Å; L142-I144 HydrophobicContact CD2-CD1 4.23Å; L142-I144 HydrophobicContact CD2-CG1 4.19Å; L142-I144 HydrophobicContact CG-CG1 4.18Å; I144-C411 HydrophobicContact CD1-CB 4.46Å; I144-N414 PolarHBondContact N-OD1 3.07Å; I144-N414 VanDerWaalsContact O-CB 3.26Å; I144-N414 WeakPolarHBondContact O-CB 3.36Å; I144-N414 VanDerWaalsContact O-CG 3.26Å; I144-N414 PolarHBondContact O-ND2 3.29Å
145A96.4Very high95.8Very high2 Ų217.4 Ų17.42%0.0179%0.094CC..EExtended strand (participates in β ladder)trans-96.4135.6-173.600000112.4L114 L115 T116 E117 Y143 Q147 L150L114-A145 HydrophobicContact CD2-CB 3.79Å; L114-A145 HydrophobicContact CG-CB 4.25Å; L115-A145 PolarHBondContact O-N 2.89Å; T116-A145 CarbonylContact C-O 3.59Å; T116-A145 VanDerWaalsContact CA-O 3.28Å; T116-A145 WeakPolarHBondContact CA-O 3.44Å; E117-A145 PolarHBondContact N-O 3.48Å; Y143-A145 HydrophobicContact CD1-CB 3.89Å; Y143-A145 HydrophobicContact CE1-CB 3.59Å; A145-Q147 PolarHBondContact O-N 2.78Å; A145-L150 HydrophobicContact CB-CD1 3.65Å; A145-L150 HydrophobicContact CB-CD2 3.87Å; A145-L150 HydrophobicContact CB-CG 3.86Å
146V94.4Very high95.2Very high37 Ų3714 Ų1422%0.2248%0.077CC..EExtended strand (participates in β ladder)trans-73.7125.8172-175.80000110E117 A148 V149 L150 V188E117-V146 HydrophobicContact CG-CG2 4.24Å; V146-A148 VanDerWaalsContact C-N 3.26Å; V146-A148 HydrophobicContact CG1-CB 4.44Å; V146-A148 PolarHBondContact O-N 3.24Å; V146-A148 VanDerWaalsContact O-N 3.15Å; V146-V149 HydrophobicContact CB-CG2 4.19Å; V146-V149 PolarHBondContact O-N 2.65Å; V146-L150 PolarHBondContact O-N 3.17Å; V146-V188 HydrophobicContact CG1-CG2 3.88Å
147Q94.8Very high94.5Very high13 Ų1313.3 Ų13.36%0.0617%0.074CC..Hα-helixtrans-53-40.3-174.5-72.7167.8-13.900113.7E117 A145 V149 L150 A151 V380E117-Q147 VanDerWaalsContact O-CG 3.24Å; E117-Q147 WeakPolarHBondContact O-CG 3.5Å; E117-Q147 PolarHBondContact O-N 3.38Å; A145-Q147 PolarHBondContact O-N 2.78Å; Q147-V149 VanDerWaalsContact C-N 3.35Å; Q147-V149 PolarHBondContact O-N 3.09Å; Q147-L150 PolarHBondContact O-N 3.03Å; Q147-A151 PolarHBondContact O-N 3.28Å; Q147-V380 HydrophobicContact CB-CG1 4.08Å; Q147-V380 HydrophobicContact CB-CG2 3.98Å; Q147-V380 HydrophobicContact CG-CG1 3.77Å; Q147-V380 HydrophobicContact CG-CG2 4.34Å
148A94.5Very high93.6Very high1 Ų113.4 Ų13.41%0.0088%0.076CC..Hα-helixtrans-61.3-41.5179.500000113V146 L150 A151 L152 V170 I181 V183 V188V146-A148 VanDerWaalsContact C-N 3.26Å; V146-A148 HydrophobicContact CG1-CB 4.44Å; V146-A148 PolarHBondContact O-N 3.24Å; V146-A148 VanDerWaalsContact O-N 3.15Å; A148-L150 VanDerWaalsContact C-N 3.34Å; A148-A151 PolarHBondContact O-N 2.82Å; A148-L152 PolarHBondContact O-N 3.23Å; A148-V170 HydrophobicContact CB-CB 4.19Å; A148-V170 HydrophobicContact CB-CG1 4.49Å; A148-V170 HydrophobicContact CB-CG2 4.09Å; A148-V170 WeakPolarHBondContact O-CG2 3.39Å; A148-I181 HydrophobicContact CB-CB 4.04Å; A148-I181 HydrophobicContact CB-CD1 3.7Å; A148-I181 HydrophobicContact CB-CG1 4.49Å; A148-I181 HydrophobicContact CB-CG2 3.64Å; A148-V183 HydrophobicContact CB-CG2 4Å; A148-V188 HydrophobicContact CB-CG2 4.44Å
149V94.1Very high92.2Very high11 Ų1118.6 Ų18.67%0.06710%0.103CC..Hα-helixtrans-66.5-42.1-179.5-177.50000109.6V146 Q147 A151 L152 S153 L166 V183 G186 V188 V416V146-V149 HydrophobicContact CB-CG2 4.19Å; V146-V149 PolarHBondContact O-N 2.65Å; Q147-V149 VanDerWaalsContact C-N 3.35Å; Q147-V149 PolarHBondContact O-N 3.09Å; V149-A151 PolarHBondContact O-N 2.97Å; V149-L152 PolarHBondContact O-N 2.9Å; V149-S153 PolarHBondContact O-N 2.92Å; V149-S153 PolarHBondContact O-OG 2.83Å; V149-L166 HydrophobicContact CG1-CD1 4.27Å; V149-L166 HydrophobicContact CG1-CD2 4Å; V149-V183 HydrophobicContact CG2-CG1 4.26Å; V149-G186 VanDerWaalsContact CG2-O 3.27Å; V149-G186 WeakPolarHBondContact CG2-O 3.34Å; V149-V188 HydrophobicContact CG2-CG2 4.41Å; V149-V416 HydrophobicContact CG1-CG1 4.21Å
150L95.4Very high90.7Very high2 Ų224.5 Ų24.51%0.0113%0.126CC..Hα-helixtrans-62.9-40.6175.3-59.5-173.6000112.5L114 T116 A145 V146 Q147 A148 L152 S153 A154 V380 G383 L387L114-L150 HydrophobicContact CD2-CD1 4.05Å; T116-L150 HydrophobicContact CG2-CD1 3.84Å; A145-L150 HydrophobicContact CB-CD1 3.65Å; A145-L150 HydrophobicContact CB-CD2 3.87Å; A145-L150 HydrophobicContact CB-CG 3.86Å; V146-L150 PolarHBondContact O-N 3.17Å; Q147-L150 PolarHBondContact O-N 3.03Å; A148-L150 VanDerWaalsContact C-N 3.34Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 3.48Å; L150-S153 PolarHBondContact O-N 3.4Å; L150-A154 WeakPolarHBondContact O-CB 3.48Å; L150-A154 PolarHBondContact O-N 3.36Å; L150-V380 HydrophobicContact CB-CG1 4.32Å; L150-V380 WeakPolarHBondContact CB-O 3.39Å; L150-V380 HydrophobicContact CD1-CG1 3.88Å; L150-V380 WeakPolarHBondContact CD1-O 3.3Å; L150-G383 WeakPolarHBondContact O-CA 3.47Å; L150-L387 HydrophobicContact CD2-CD1 3.61Å
151A95Very high89Confident0 Ų024.3 Ų24.30%012%0.124CC..Hα-helixtrans-61.7-39175.300000112.3Q147 A148 V149 A154 S155 V170 A379Q147-A151 PolarHBondContact O-N 3.28Å; A148-A151 PolarHBondContact O-N 2.82Å; V149-A151 PolarHBondContact O-N 2.97Å; A151-A154 WeakPolarHBondContact O-CB 3.28Å; A151-A154 PolarHBondContact O-N 2.92Å; A151-S155 PolarHBondContact O-N 3.27Å; A151-S155 VanDerWaalsContact O-N 3.15Å; A151-V170 HydrophobicContact CB-CG1 3.82Å; A151-A379 HydrophobicContact CB-CB 4.44Å
152L93.3Very high87.3Confident0 Ų031.9 Ų31.90%016%0.164CC..Hα-helixtrans-63.7-45.8172.7-71.5178.4000111.7A148 V149 L150 A154 S155 W156 L166 V170 V183 V323A148-L152 PolarHBondContact O-N 3.23Å; V149-L152 PolarHBondContact O-N 2.9Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 3.48Å; L152-A154 VanDerWaalsContact C-N 3.26Å; L152-A154 PolarHBondContact O-N 3.28Å; L152-S155 WeakPolarHBondContact O-CB 3.26Å; L152-S155 PolarHBondContact O-N 3.49Å; L152-S155 PolarHBondContact O-OG 3.5Å; L152-W156 PolarHBondContact O-NE1 2.9Å; L152-L166 HydrophobicContact CB-CD2 3.98Å; L152-V170 HydrophobicContact CD1-CG2 4.25Å; L152-V170 HydrophobicContact CD2-CG2 3.73Å; L152-V170 HydrophobicContact CG-CG2 3.6Å; L152-V183 HydrophobicContact CD1-CB 3.58Å; L152-V183 HydrophobicContact CD1-CG1 3.89Å; L152-V183 HydrophobicContact CD1-CG2 3.78Å; L152-V323 HydrophobicContact CD2-CB 3.94Å; L152-V323 HydrophobicContact CD2-CG2 3.53Å
153S91.8Very high85.8Confident4 Ų435.6 Ų35.63%0.02819%0.19CC..Hα-helixtrans-59.3-39.4176.1-57.60000111.9V149 L150 S155 W156V149-S153 PolarHBondContact O-N 2.92Å; V149-S153 PolarHBondContact O-OG 2.83Å; L150-S153 PolarHBondContact O-N 3.4Å; S153-S155 VanDerWaalsContact C-N 3.26Å; S153-S155 PolarHBondContact O-N 3.46Å; S153-W156 WeakPolarHBondContact O-CB 3.46Å; S153-W156 VanDerWaalsContact O-CG 3.31Å; S153-W156 PolarHBondContact O-N 3.45Å
154A92.5Very high85Confident0 Ų044.2 Ų44.20%022%0.223CC..Hα-helixtrans-63.3-31.3175.600000113.1L150 A151 L152 W156 C157 A379 F382L150-A154 WeakPolarHBondContact O-CB 3.48Å; L150-A154 PolarHBondContact O-N 3.36Å; A151-A154 WeakPolarHBondContact O-CB 3.28Å; A151-A154 PolarHBondContact O-N 2.92Å; L152-A154 VanDerWaalsContact C-N 3.26Å; L152-A154 PolarHBondContact O-N 3.28Å; A154-W156 PolarHBondContact O-N 2.95Å; A154-C157 PolarHBondContact O-N 2.96Å; A154-C157 PolarHBondContact O-SG 3.31Å; A154-A379 HydrophobicContact CB-CB 3.95Å; A154-A379 WeakPolarHBondContact CB-O 3.49Å; A154-F382 HydrophobicContact CB-CD1 3.77Å
155S89.8Confident84.4Confident0 Ų045.8 Ų45.80%023%0.234CC..Hα-helixtrans-64.9-19.4179.279.60000113.4A151 L152 S153 C157 S158A151-S155 PolarHBondContact O-N 3.27Å; A151-S155 VanDerWaalsContact O-N 3.15Å; L152-S155 WeakPolarHBondContact O-CB 3.26Å; L152-S155 PolarHBondContact O-N 3.49Å; L152-S155 PolarHBondContact O-OG 3.5Å; S153-S155 VanDerWaalsContact C-N 3.26Å; S153-S155 PolarHBondContact O-N 3.46Å; S155-C157 PolarHBondContact O-N 2.9Å; S155-C157 VanDerWaalsContact O-N 3.14Å; S155-S158 WeakPolarHBondContact O-CB 3.34Å; S155-S158 PolarHBondContact O-N 3.29Å
156W85.2Confident84.1Confident45 Ų4545.8 Ų45.817%0.1723%0.234CC..THydrogen-bonded Turntrans-65.5-15.4178.6-57.2-16.4000113.6L152 S153 A154 S158 R164 S165 L166 G418 T419L152-W156 PolarHBondContact O-NE1 2.9Å; S153-W156 WeakPolarHBondContact O-CB 3.46Å; S153-W156 VanDerWaalsContact O-CG 3.31Å; S153-W156 PolarHBondContact O-N 3.45Å; A154-W156 PolarHBondContact O-N 2.95Å; W156-S158 PolarHBondContact O-N 3.08Å; W156-R164 HydrophobicContact CB-CG 4.29Å; W156-R164 HydrophobicContact CD2-CB 3.97Å; W156-R164 HydrophobicContact CD2-CG 3.88Å; W156-R164 HydrophobicContact CE3-CB 4.48Å; W156-R164 HydrophobicContact CE3-CG 4.26Å; W156-R164 HydrophobicContact CG-CB 4.25Å; W156-R164 HydrophobicContact CG-CG 3.9Å; W156-R164 HydrophobicContact CZ2-CB 4.17Å; W156-S165 PolarHBondContact NE1-O 3.15Å; W156-L166 HydrophobicContact CH2-CD2 4.3Å; W156-L166 HydrophobicContact CH2-CG 4.47Å; W156-L166 HydrophobicContact CZ2-CD2 3.74Å; W156-L166 HydrophobicContact CZ2-CG 3.94Å; W156-G418 WeakPolarHBondContact CH2-O 3.05Å; W156-T419 HydrophobicContact CH2-CG2 4.23Å; W156-T419 HydrophobicContact CZ2-CG2 4.12Å
157C82.8Confident84.1Confident50 Ų5044.9 Ų44.934%0.33823%0.228SC..THydrogen-bonded Turntrans-72.2-10.9169.774.10000113.1A154 S155 F382A154-C157 PolarHBondContact O-N 2.96Å; A154-C157 PolarHBondContact O-SG 3.31Å; S155-C157 PolarHBondContact O-N 2.9Å; S155-C157 VanDerWaalsContact O-N 3.14Å; C157-F382 HydrophobicContact CB-CE1 4.07Å; C157-F382 HydrophobicContact CB-CZ 4.43Å
158S78.9Confident84.1Confident12 Ų1244.2 Ų44.28%0.08423%0.225CC..SBendtrans-81.2126.3179-167.70000110.9S155 W156 R160 T161S155-S158 WeakPolarHBondContact O-CB 3.34Å; S155-S158 PolarHBondContact O-N 3.29Å; W156-S158 PolarHBondContact O-N 3.08Å; S158-R160 PolarHBondContact O-N 3.49Å; S158-R160 PolarHBondContact OG-N 3.11Å; S158-T161 PolarHBondContact O-N 3.36Å; S158-T161 PolarHBondContact O-OG1 3.16Å; S158-T161 VanDerWaalsContact O-OG1 3.09Å
159N68.3Low84.3Confident167 Ų16744.2 Ų44.289%0.89323%0.225SC*.THydrogen-bonded Turntrans-63.6-3.3170.5-65.5-5.9000113.3
160R65.7Low84.5Confident124 Ų12443.7 Ų43.747%0.46822%0.221SC..THydrogen-bonded Turntrans-87.4-11.5177.2-65.4-172.1178.4170.97.7113.1S158 D335 K369S158-R160 PolarHBondContact O-N 3.49Å; S158-R160 PolarHBondContact OG-N 3.11Å; R160-D335 IonicContact NH1-OD2 3.02Å; R160-K369 WeakPolarHBondContact O-CE 3.42Å; R160-K369 PolarHBondContact O-NZ 3.33Å
161T62.8Low84.6Confident29 Ų2943.7 Ų43.718%0.17822%0.221CC..  trans-101.6114.6-178.652.70000110.6S158 S163 V371S158-T161 PolarHBondContact O-N 3.36Å; S158-T161 PolarHBondContact O-OG1 3.16Å; S158-T161 VanDerWaalsContact O-OG1 3.09Å; T161-S163 VanDerWaalsContact C-N 3.28Å; T161-S163 PolarHBondContact O-N 2.98Å; T161-V371 HydrophobicContact CG2-CG1 4.12Å; T161-V371 HydrophobicContact CG2-CG2 4.09Å
162D62.8Low84.6Confident159 Ų15944.6 Ų44.685%0.8523%0.226SC*.SBendtrans-77.3-14.6-179.8-59.3-51.4000113
163S66.5Low84.7Confident78 Ų7844.7 Ų44.755%0.54523%0.227SC..SBendtrans-137.7132-178.464.30000111.2T161 S165T161-S163 VanDerWaalsContact C-N 3.28Å; T161-S163 PolarHBondContact O-N 2.98Å; S163-S165 VanDerWaalsContact C-N 3.28Å; S163-S165 PolarHBondContact O-N 2.98Å
164R81.2Confident84.8Confident193 Ų19345.6 Ų45.673%0.72824%0.237SC*.  trans-70.187.2165.3-66.6-175.8-177.7-180-1.3108.8W156W156-R164 HydrophobicContact CB-CG 4.29Å; W156-R164 HydrophobicContact CD2-CB 3.97Å; W156-R164 HydrophobicContact CD2-CG 3.88Å; W156-R164 HydrophobicContact CE3-CB 4.48Å; W156-R164 HydrophobicContact CE3-CG 4.26Å; W156-R164 HydrophobicContact CG-CB 4.25Å; W156-R164 HydrophobicContact CG-CG 3.9Å; W156-R164 HydrophobicContact CZ2-CB 4.17Å
165S86.3Confident84.8Confident34 Ų3447.4 Ų47.424%0.23825%0.247CC..  trans-112.6134.5179.8-177.60000109.6W156 S163 T167W156-S165 PolarHBondContact NE1-O 3.15Å; S163-S165 VanDerWaalsContact C-N 3.28Å; S163-S165 PolarHBondContact O-N 2.98Å; S165-T167 WeakPolarHBondContact OG-CB 3.33Å; S165-T167 PolarHBondContact OG-N 2.96Å; S165-T167 PolarHBondContact OG-O 3.01Å
166L90.2Very high84.7Confident3 Ų348.1 Ų48.12%0.01625%0.254CS..SBendtrans-9116.8164.7-69.6176.9000112.1V149 L152 W156 V183 G186 V416 T419V149-L166 HydrophobicContact CG1-CD1 4.27Å; V149-L166 HydrophobicContact CG1-CD2 4Å; L152-L166 HydrophobicContact CB-CD2 3.98Å; W156-L166 HydrophobicContact CH2-CD2 4.3Å; W156-L166 HydrophobicContact CH2-CG 4.47Å; W156-L166 HydrophobicContact CZ2-CD2 3.74Å; W156-L166 HydrophobicContact CZ2-CG 3.94Å; L166-V183 VanDerWaalsContact O-CG1 3.32Å; L166-V183 WeakPolarHBondContact O-CG1 3.19Å; L166-G186 PolarHBondContact O-N 3.3Å; L166-G186 VanDerWaalsContact O-N 3.14Å; L166-V416 HydrophobicContact CD1-CG1 3.7Å; L166-T419 HydrophobicContact CB-CG2 3.96Å; L166-T419 HydrophobicContact CD1-CG2 3.34Å; L166-T419 HydrophobicContact CG-CG2 3.32Å
167T93.8Very high84.9Confident17 Ų1746.9 Ų46.910%0.10425%0.252CS..  trans-100.2120.7166.3-68.70000109.3S165 V183 V184 D185 L318 N321S165-T167 WeakPolarHBondContact OG-CB 3.33Å; S165-T167 PolarHBondContact OG-N 2.96Å; S165-T167 PolarHBondContact OG-O 3.01Å; T167-V183 CarbonylContact C-O 3.59Å; T167-V183 VanDerWaalsContact CA-O 3.32Å; T167-V183 WeakPolarHBondContact CA-O 3.19Å; T167-V184 HydrophobicContact CG2-CG2 4.39Å; T167-V184 WeakPolarHBondContact OG1-CA 3.32Å; T167-D185 PolarHBondContact OG1-N 3.36Å; T167-D185 PolarHBondContact OG1-OD1 3.43Å; T167-L318 HydrophobicContact CG2-CD2 4.43Å; T167-N321 PolarHBondContact O-ND2 3.34Å
168G96Very high85.4Confident0 Ų044.5 Ų44.50%024%0.236CC..EExtended strand (participates in β ladder)trans177.3169.9-178.800000113.2V183 L318 N321G168-V183 PolarHBondContact N-O 2.95Å; G168-V183 PolarHBondContact O-N 2.67Å; G168-L318 VanDerWaalsContact O-CD2 3.32Å; G168-L318 WeakPolarHBondContact O-CD2 3.19Å; G168-N321 CarbonylContact C-O 3.58Å; G168-N321 WeakPolarHBondContact CA-O 3.19Å
169T98.3Very high86.2Confident0 Ų044.1 Ų44.10%023%0.233CC..EExtended strand (participates in β ladder)trans-105.2119.6173.1-54.40000109.5V180 I181 V303 I307 L318 N321 I322 V323T169-V180 HydrophobicContact CG2-CG1 3.7Å; T169-I181 CarbonylContact C-O 3.59Å; T169-I181 WeakPolarHBondContact CA-O 3.25Å; T169-V303 HydrophobicContact CG2-CG1 4.38Å; T169-I307 HydrophobicContact CG2-CD1 4.48Å; T169-I307 HydrophobicContact CG2-CG1 4.41Å; T169-I307 WeakPolarHBondContact OG1-CG1 3.33Å; T169-L318 WeakPolarHBondContact OG1-CB 3.45Å; T169-L318 PolarHBondContact OG1-O 2.9Å; T169-N321 PolarHBondContact N-O 2.74Å; T169-I322 CarbonylContact O-C 3.51Å; T169-I322 VanDerWaalsContact O-CA 3.23Å; T169-I322 WeakPolarHBondContact O-CA 3.41Å; T169-V323 PolarHBondContact O-N 2.84Å
170V97.7Very high87.7Confident0 Ų036.2 Ų36.20%019%0.19CC..EExtended strand (participates in β ladder)trans-95127.4178.3-177.50000109.8A148 A151 L152 D172 V180 I181 V183 V323A148-V170 HydrophobicContact CB-CB 4.19Å; A148-V170 HydrophobicContact CB-CG1 4.49Å; A148-V170 HydrophobicContact CB-CG2 4.09Å; A148-V170 WeakPolarHBondContact O-CG2 3.39Å; A151-V170 HydrophobicContact CB-CG1 3.82Å; L152-V170 HydrophobicContact CD1-CG2 4.25Å; L152-V170 HydrophobicContact CD2-CG2 3.73Å; L152-V170 HydrophobicContact CG-CG2 3.6Å; V170-D172 HydrophobicContact CG1-CB 4.27Å; V170-V180 WeakPolarHBondContact O-CA 3.41Å; V170-I181 HydrophobicContact CB-CB 4.36Å; V170-I181 PolarHBondContact N-O 2.81Å; V170-I181 PolarHBondContact O-N 2.79Å; V170-V183 HydrophobicContact CG2-CG2 4.32Å; V170-V323 WeakPolarHBondContact CA-O 3.42Å
171I98Very high89.2Confident2 Ų230.3 Ų30.31%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-102.697.7167-55.8173.8000106.7T178 H179 L299 V303 I322 V323 L324 S325 L338I171-T178 HydrophobicContact CG2-CG2 4.26Å; I171-H179 CarbonylContact C-O 3.59Å; I171-H179 WeakPolarHBondContact CA-O 3.43Å; I171-L299 HydrophobicContact CG2-CD1 4.04Å; I171-L299 HydrophobicContact CG2-CD2 4.21Å; I171-V303 HydrophobicContact CD1-CG2 3.59Å; I171-V303 HydrophobicContact CG1-CG2 3.97Å; I171-I322 HydrophobicContact CD1-CG2 3.69Å; I171-I322 HydrophobicContact CG1-CG2 4.06Å; I171-V323 PolarHBondContact N-O 3.16Å; I171-L324 HydrophobicContact CB-CD2 3.98Å; I171-L324 HydrophobicContact CD1-CD2 3.9Å; I171-L324 HydrophobicContact CG1-CD2 4.4Å; I171-L324 HydrophobicContact CG2-CD2 4.48Å; I171-S325 PolarHBondContact O-N 3.41Å; I171-L338 HydrophobicContact CD1-CD1 3.88Å
172D95.5Very high90.9Very high19 Ų1928.9 Ų28.910%0.10216%0.159CC..EExtended strand (participates in β ladder)trans-98111.1177.7-175.648.3000110V170 T178 H179 I181 S325V170-D172 HydrophobicContact CG1-CB 4.27Å; D172-T178 CarbonylContact O-C 3.58Å; D172-T178 VanDerWaalsContact O-CA 3.28Å; D172-T178 WeakPolarHBondContact O-CA 3.11Å; D172-H179 HydrophobicContact CB-CB 4.49Å; D172-H179 PolarHBondContact N-O 3.1Å; D172-H179 PolarHBondContact O-N 3.26Å; D172-I181 HydrophobicContact CB-CD1 4.49Å; D172-S325 WeakPolarHBondContact CA-O 3.28Å; D172-S325 WeakPolarHBondContact OD1-CB 3.22Å; D172-S325 PolarHBondContact OD1-OG 2.75Å
173S95.8Very high92.5Very high2 Ų221.3 Ų21.31%0.01412%0.119CC..EExtended strand (participates in β ladder)trans-120.7100.5-177.1-167.60000110.9T178 F285 S325 G326 G327 S328S173-T178 WeakPolarHBondContact CB-OG1 3.48Å; S173-T178 PolarHBondContact OG-OG1 2.9Å; S173-F285 VanDerWaalsContact OG-CZ 3.26Å; S173-F285 WeakPolarHBondContact OG-CZ 3.3Å; S173-S325 PolarHBondContact N-O 2.74Å; S173-G326 CarbonylContact O-C 3.51Å; S173-G326 VanDerWaalsContact O-C 3.25Å; S173-G326 WeakPolarHBondContact O-CA 3.29Å; S173-G327 PolarHBondContact O-N 3.46Å; S173-S328 WeakPolarHBondContact O-CB 3.34Å; S173-S328 PolarHBondContact O-N 3.28Å; S173-S328 VanDerWaalsContact OG-CB 3.31Å; S173-S328 WeakPolarHBondContact OG-CB 3.43Å
174G93Very high93.8Very high24 Ų2419.2 Ų19.225%0.24710%0.103CC..  trans-95.4-153.2179.600000113.3V177 G200 S328G174-V177 PolarHBondContact N-O 2.78Å; G174-V177 VanDerWaalsContact N-O 3.15Å; G174-G200 PolarHBondContact O-N 3.22Å; G174-S328 WeakPolarHBondContact O-CB 3.45Å; G174-S328 PolarHBondContact O-OG 3.42Å
175D91.9Very high94.3Very high38 Ų3815.3 Ų15.320%0.20310%0.096CC..SBendtrans-82.3-36175.6-170.559.3000112.7A199 G200 R201D175-A199 VanDerWaalsContact O-CB 3.29Å; D175-A199 WeakPolarHBondContact O-CB 3.43Å; D175-G200 PolarHBondContact O-N 3.09Å; D175-R201 VanDerWaalsContact O-CB 3.22Å; D175-R201 WeakPolarHBondContact O-CB 3.45Å; D175-R201 PolarHBondContact O-N 3.33Å; D175-R201 PolarHBondContact OD1-N 2.93Å; D175-R201 IonicContact OD2-CZ 2.82Å; D175-R201 IonicContact OD2-NE 2.75Å; D175-R201 PolarHBondContact OD2-NE 3.4Å; D175-R201 IonicContact OD2-NH2 3.65Å; D175-R201 PolarHBondContact OD2-NH2 2.84Å
176G88.9Confident94.5Very high15 Ų1513.8 Ų13.816%0.1559%0.086CC..SBendtrans-106.8-18.6-17100000116.3H83 A199H83-G176 PolarHBondContact ND1-O 3.15Å; G176-A199 VanDerWaalsContact C-CB 3.47Å
177V88.3Confident94.6Very high19 Ų1920.4 Ų20.412%0.11511%0.112CC..  trans-158.6151.5-178.3580000110.5G174 H179G174-V177 PolarHBondContact N-O 2.78Å; G174-V177 VanDerWaalsContact N-O 3.15Å; V177-H179 WeakPolarHBondContact CG1-CE1 3.27Å; V177-H179 WeakPolarHBondContact CG2-NE2 3.23Å
178T94.6Very high94.6Very high0 Ų021.6 Ų21.60%012%0.119CC..EExtended strand (participates in β ladder)trans-113.2130.7165.9-61.60000109.9I171 D172 S173 I196 I198 F285 L299I171-T178 HydrophobicContact CG2-CG2 4.26Å; D172-T178 CarbonylContact O-C 3.58Å; D172-T178 VanDerWaalsContact O-CA 3.28Å; D172-T178 WeakPolarHBondContact O-CA 3.11Å; S173-T178 WeakPolarHBondContact CB-OG1 3.48Å; S173-T178 PolarHBondContact OG-OG1 2.9Å; T178-I196 HydrophobicContact CG2-CD1 4.27Å; T178-I196 PolarHBondContact N-O 3.24Å; T178-I196 PolarHBondContact O-N 3.17Å; T178-I198 VanDerWaalsContact CB-O 3.24Å; T178-I198 WeakPolarHBondContact CB-O 3.25Å; T178-I198 PolarHBondContact OG1-O 2.92Å; T178-F285 HydrophobicContact CG2-CE1 4.38Å; T178-L299 HydrophobicContact CG2-CD1 4.36Å
179H95.6Very high94.6Very high4 Ų423 Ų232%0.01913%0.126CC..EExtended strand (participates in β ladder)trans-115.6141179.9-62.3113000111.1P119 I171 D172 V177 I181 H195P119-H179 HydrophobicContact CG-CB 4.33Å; I171-H179 CarbonylContact C-O 3.59Å; I171-H179 WeakPolarHBondContact CA-O 3.43Å; D172-H179 HydrophobicContact CB-CB 4.49Å; D172-H179 PolarHBondContact N-O 3.1Å; D172-H179 PolarHBondContact O-N 3.26Å; V177-H179 WeakPolarHBondContact CG1-CE1 3.27Å; V177-H179 WeakPolarHBondContact CG2-NE2 3.23Å; H179-I181 HydrophobicContact CB-CD1 3.74Å; H179-I181 HydrophobicContact CB-CG1 3.71Å; H179-H195 AromaticContact CD2-CE1 3.28Å; H179-H195 PolarHBondContact CD2-CE1 2.78Å; H179-H195 AromaticContact CD2-CG 3.84Å; H179-H195 AromaticContact CD2-ND1 2.93Å; H179-H195 PolarHBondContact CD2-ND1 3.33Å; H179-H195 AromaticContact NE2-CE1 3.24Å; H179-H195 PolarHBondContact NE2-CE1 3.36Å; H179-H195 AromaticContact NE2-ND1 2.91Å; H179-H195 PolarHBondContact NE2-ND1 3.06Å
180V98.1Very high94.3Very high0 Ų024.6 Ų24.60%014%0.142CC..EExtended strand (participates in β ladder)trans-115.3113.9166.6-175.10000108.3T169 V170 K194 I196 L299 V302 V303 V306T169-V180 HydrophobicContact CG2-CG1 3.7Å; V170-V180 WeakPolarHBondContact O-CA 3.41Å; V180-K194 PolarHBondContact N-O 3.46Å; V180-K194 PolarHBondContact O-N 3.07Å; V180-K194 VanDerWaalsContact O-N 3.15Å; V180-I196 HydrophobicContact CG2-CD1 4.06Å; V180-L299 HydrophobicContact CG2-CD1 3.88Å; V180-V302 HydrophobicContact CB-CG1 4.34Å; V180-V302 HydrophobicContact CG2-CG1 3.92Å; V180-V303 HydrophobicContact CG1-CB 4.38Å; V180-V303 HydrophobicContact CG1-CG2 3.83Å; V180-V303 HydrophobicContact CG2-CG2 3.98Å; V180-V306 HydrophobicContact CB-CG2 4.02Å; V180-V306 HydrophobicContact CG1-CB 3.95Å; V180-V306 HydrophobicContact CG1-CG1 3.99Å; V180-V306 HydrophobicContact CG1-CG2 3.79Å
181I97.9Very high94.2Very high0 Ų029.9 Ų29.90%018%0.179CC..EExtended strand (participates in β ladder)trans-126.1108.2-163.4-48.3163.7000109P119 A148 T169 V170 D172 H179 V183 V188 I193P119-I181 HydrophobicContact CB-CD1 3.92Å; P119-I181 HydrophobicContact CB-CG1 4.15Å; P119-I181 HydrophobicContact CB-CG2 4.31Å; P119-I181 HydrophobicContact CG-CD1 3.52Å; P119-I181 HydrophobicContact CG-CG1 3.96Å; A148-I181 HydrophobicContact CB-CB 4.04Å; A148-I181 HydrophobicContact CB-CD1 3.7Å; A148-I181 HydrophobicContact CB-CG1 4.49Å; A148-I181 HydrophobicContact CB-CG2 3.64Å; T169-I181 CarbonylContact C-O 3.59Å; T169-I181 WeakPolarHBondContact CA-O 3.25Å; V170-I181 HydrophobicContact CB-CB 4.36Å; V170-I181 PolarHBondContact N-O 2.81Å; V170-I181 PolarHBondContact O-N 2.79Å; D172-I181 HydrophobicContact CB-CD1 4.49Å; H179-I181 HydrophobicContact CB-CD1 3.74Å; H179-I181 HydrophobicContact CB-CG1 3.71Å; I181-V183 HydrophobicContact CG2-CG2 4.33Å; I181-V188 HydrophobicContact CG2-CB 4.47Å; I181-V188 HydrophobicContact CG2-CG1 3.51Å; I181-V188 HydrophobicContact CG2-CG2 4.16Å; I181-I193 HydrophobicContact CG2-CG1 4.24Å
182P98Very high94.2Very high0 Ų030.1 Ų30.10%018%0.181CC..EExtended strand (participates in β ladder)trans-79.8128.4172.730.4-28.7000110.1I189 C192 V306 L318P182-I189 HydrophobicContact CB-CD1 4.41Å; P182-I189 HydrophobicContact CG-CB 4.07Å; P182-I189 PolarHBondContact O-N 2.78Å; P182-C192 HydrophobicContact CG-CB 3.64Å; P182-V306 HydrophobicContact CB-CG1 4.01Å; P182-V306 HydrophobicContact CG-CG1 3.6Å; P182-L318 HydrophobicContact CB-CD1 4.05Å; P182-L318 HydrophobicContact CB-CD2 4.2Å
183V96.6Very high94.3Very high0 Ų030 Ų300%018%0.18CC..EExtended strand (participates in β ladder)trans-121.4134177.2-166.20000108.5A148 V149 L152 L166 T167 G168 V170 I181 Y187 V188 L318A148-V183 HydrophobicContact CB-CG2 4Å; V149-V183 HydrophobicContact CG2-CG1 4.26Å; L152-V183 HydrophobicContact CD1-CB 3.58Å; L152-V183 HydrophobicContact CD1-CG1 3.89Å; L152-V183 HydrophobicContact CD1-CG2 3.78Å; L166-V183 VanDerWaalsContact O-CG1 3.32Å; L166-V183 WeakPolarHBondContact O-CG1 3.19Å; T167-V183 CarbonylContact C-O 3.59Å; T167-V183 VanDerWaalsContact CA-O 3.32Å; T167-V183 WeakPolarHBondContact CA-O 3.19Å; G168-V183 PolarHBondContact N-O 2.95Å; G168-V183 PolarHBondContact O-N 2.67Å; V170-V183 HydrophobicContact CG2-CG2 4.32Å; I181-V183 HydrophobicContact CG2-CG2 4.33Å; V183-Y187 WeakPolarHBondContact CA-O 3.35Å; V183-V188 HydrophobicContact CG2-CG2 4.23Å; V183-L318 WeakPolarHBondContact O-CD2 3.38Å
184V95Very high94.3Very high34 Ų3433 Ų3321%0.20619%0.193CC..EExtended strand (participates in β ladder)trans-129.5121.6175.4178.60000108.3T167 G186 Y187 I189 L318T167-V184 HydrophobicContact CG2-CG2 4.39Å; T167-V184 WeakPolarHBondContact OG1-CA 3.32Å; V184-G186 PolarHBondContact O-N 2.95Å; V184-G186 VanDerWaalsContact O-N 3.15Å; V184-Y187 PolarHBondContact N-O 2.74Å; V184-Y187 PolarHBondContact O-N 3.05Å; V184-I189 HydrophobicContact CB-CD1 4.37Å; V184-I189 HydrophobicContact CG2-CD1 3.54Å; V184-I189 HydrophobicContact CG2-CG1 4.23Å; V184-L318 HydrophobicContact CG2-CD2 4.24Å
185D91.4Very high94.3Very high111 Ų11135.9 Ų35.959%0.59420%0.2SC*.THydrogen-bonded Turntrans49.940.1-180-56.6-31.3000112.6T167 Y187T167-D185 PolarHBondContact OG1-N 3.36Å; T167-D185 PolarHBondContact OG1-OD1 3.43Å; D185-Y187 VanDerWaalsContact C-N 3.27Å; D185-Y187 VanDerWaalsContact O-CD2 3.32Å; D185-Y187 WeakPolarHBondContact O-CD2 3.27Å; D185-Y187 PolarHBondContact O-N 2.87Å
186G90.3Very high94.3Very high2 Ų234.2 Ų34.22%0.02119%0.191CC..THydrogen-bonded Turntrans85.2-11.5-179.200000115.3V149 L166 V184 V416V149-G186 VanDerWaalsContact CG2-O 3.27Å; V149-G186 WeakPolarHBondContact CG2-O 3.34Å; L166-G186 PolarHBondContact O-N 3.3Å; L166-G186 VanDerWaalsContact O-N 3.14Å; V184-G186 PolarHBondContact O-N 2.95Å; V184-G186 VanDerWaalsContact O-N 3.15Å; G186-V416 WeakPolarHBondContact O-CG2 3.29Å
187Y91.9Very high94.5Very high142 Ų14236.5 Ų36.556%0.55720%0.203SC*.EExtended strand (participates in β ladder)trans-96.7129178.8-62.2-81.4000111.4V183 V184 D185 V416V183-Y187 WeakPolarHBondContact CA-O 3.35Å; V184-Y187 PolarHBondContact N-O 2.74Å; V184-Y187 PolarHBondContact O-N 3.05Å; D185-Y187 VanDerWaalsContact C-N 3.27Å; D185-Y187 VanDerWaalsContact O-CD2 3.32Å; D185-Y187 WeakPolarHBondContact O-CD2 3.27Å; D185-Y187 PolarHBondContact O-N 2.87Å; Y187-V416 HydrophobicContact CE1-CG2 4.49Å
188V94Very high94.7Very high41 Ų4135.7 Ų35.725%0.24820%0.198CC..EExtended strand (participates in β ladder)trans-74.6129.1175.7177.80000110.1V146 A148 V149 I181 V183 G190 I193V146-V188 HydrophobicContact CG1-CG2 3.88Å; A148-V188 HydrophobicContact CB-CG2 4.44Å; V149-V188 HydrophobicContact CG2-CG2 4.41Å; I181-V188 HydrophobicContact CG2-CB 4.47Å; I181-V188 HydrophobicContact CG2-CG1 3.51Å; I181-V188 HydrophobicContact CG2-CG2 4.16Å; V183-V188 HydrophobicContact CG2-CG2 4.23Å; V188-G190 VanDerWaalsContact C-N 3.3Å; V188-G190 PolarHBondContact O-N 3.1Å; V188-I193 HydrophobicContact CG1-CD1 3.71Å; V188-I193 HydrophobicContact CG1-CG1 4.12Å
189I95.5Very high94.7Very high31 Ų3135.7 Ų35.716%0.15920%0.198CC..  trans-81.882.9173.2-50.6170.2000108.5P182 V184 S191 C192P182-I189 HydrophobicContact CB-CD1 4.41Å; P182-I189 HydrophobicContact CG-CB 4.07Å; P182-I189 PolarHBondContact O-N 2.78Å; V184-I189 HydrophobicContact CB-CD1 4.37Å; V184-I189 HydrophobicContact CG2-CD1 3.54Å; V184-I189 HydrophobicContact CG2-CG1 4.23Å; I189-S191 VanDerWaalsContact C-N 3.26Å; I189-S191 PolarHBondContact O-N 3.45Å; I189-S191 VanDerWaalsContact O-N 3.15Å; I189-C192 HydrophobicContact CB-CB 4.41Å; I189-C192 HydrophobicContact CG2-CB 4.02Å; I189-C192 PolarHBondContact O-N 3.18Å
190G93.3Very high94.7Very high32 Ų3235.5 Ų35.533%0.3320%0.197SC..G310 helixtrans-51.7-40.6-172.700000114.4V188 C192 I193V188-G190 VanDerWaalsContact C-N 3.3Å; V188-G190 PolarHBondContact O-N 3.1Å; G190-C192 PolarHBondContact O-N 3.35Å; G190-C192 VanDerWaalsContact O-N 3.16Å; G190-I193 PolarHBondContact O-N 2.98Å
191S95.5Very high94.6Very high112 Ų11239.7 Ų39.778%0.78321%0.213SC*.G310 helixtrans-66.4-14.7-178.958.30000114.7I189I189-S191 VanDerWaalsContact C-N 3.26Å; I189-S191 PolarHBondContact O-N 3.45Å; I189-S191 VanDerWaalsContact O-N 3.15Å
192C97.1Very high94.5Very high7 Ų742.4 Ų42.45%0.04723%0.227CC..G310 helixtrans-106.3-6.3-176.5-64.20000113.3P182 I189 G190 V306 K309P182-C192 HydrophobicContact CG-CB 3.64Å; I189-C192 HydrophobicContact CB-CB 4.41Å; I189-C192 HydrophobicContact CG2-CB 4.02Å; I189-C192 PolarHBondContact O-N 3.18Å; G190-C192 PolarHBondContact O-N 3.35Å; G190-C192 VanDerWaalsContact O-N 3.16Å; C192-V306 WeakPolarHBondContact O-CG1 3.41Å; C192-V306 WeakPolarHBondContact O-CG2 3.28Å; C192-K309 HydrophobicContact CB-CB 4.42Å; C192-K309 VanDerWaalsContact SG-C 3.56Å; C192-K309 PolarHBondContact SG-O 3.42Å
193I96.6Very high94.5Very high16 Ų1642.4 Ų42.48%0.08223%0.227CC..  trans-61.5142.8-179.1-63.1159.9000110.5P119 L120 I181 V188 G190P119-I193 HydrophobicContact CB-CD1 3.87Å; L120-I193 HydrophobicContact CD1-CD1 4.26Å; L120-I193 HydrophobicContact CD2-CD1 3.71Å; L120-I193 HydrophobicContact CG-CD1 3.74Å; I181-I193 HydrophobicContact CG2-CG1 4.24Å; V188-I193 HydrophobicContact CG1-CD1 3.71Å; V188-I193 HydrophobicContact CG1-CG1 4.12Å; G190-I193 PolarHBondContact O-N 2.98Å
194K96.3Very high94.5Very high64 Ų6442.8 Ų42.828%0.27823%0.23SC..EExtended strand (participates in β ladder)trans-126138.6168.8-71.8-66.1-169.31250111.6V180 V302 E305 V306V180-K194 PolarHBondContact N-O 3.46Å; V180-K194 PolarHBondContact O-N 3.07Å; V180-K194 VanDerWaalsContact O-N 3.15Å; K194-V302 HydrophobicContact CB-CG1 3.54Å; K194-V302 HydrophobicContact CG-CG1 4.15Å; K194-E305 WeakPolarHBondContact CE-OE1 3.35Å; K194-E305 IonicContact NZ-OE1 2.79Å; K194-E305 PolarHBondContact NZ-OE1 3.03Å; K194-E305 IonicContact NZ-OE2 2.97Å; K194-E305 PolarHBondContact NZ-OE2 2.64Å; K194-V306 HydrophobicContact CB-CG2 3.64Å; K194-V306 HydrophobicContact CG-CG2 3.46Å; K194-V306 VanDerWaalsContact CG-CG2 3.46Å
195H92.8Very high94.6Very high85 Ų8543.4 Ų43.439%0.39424%0.235SC..EExtended strand (participates in β ladder)trans-101139.8171.7-56.2-99.9000108.5H179H179-H195 AromaticContact CD2-CE1 3.28Å; H179-H195 PolarHBondContact CD2-CE1 2.78Å; H179-H195 AromaticContact CD2-CG 3.84Å; H179-H195 AromaticContact CD2-ND1 2.93Å; H179-H195 PolarHBondContact CD2-ND1 3.33Å; H179-H195 AromaticContact NE2-CE1 3.24Å; H179-H195 PolarHBondContact NE2-CE1 3.36Å; H179-H195 AromaticContact NE2-ND1 2.91Å; H179-H195 PolarHBondContact NE2-ND1 3.06Å
196I93.4Very high94.9Very high4 Ų439.2 Ų39.22%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-115.1126.1175.4-62.5169.9000107T178 V180 I198 F295 L299 V302T178-I196 HydrophobicContact CG2-CD1 4.27Å; T178-I196 PolarHBondContact N-O 3.24Å; T178-I196 PolarHBondContact O-N 3.17Å; V180-I196 HydrophobicContact CG2-CD1 4.06Å; I196-I198 HydrophobicContact CG2-CB 3.97Å; I196-I198 HydrophobicContact CG2-CG1 4.38Å; I196-I198 PolarHBondContact O-N 2.89Å; I196-F295 HydrophobicContact CB-CZ 4.42Å; I196-F295 HydrophobicContact CG1-CZ 4.14Å; I196-F295 HydrophobicContact CG2-CD1 4.5Å; I196-F295 HydrophobicContact CG2-CE1 3.73Å; I196-F295 HydrophobicContact CG2-CZ 4.02Å; I196-L299 HydrophobicContact CD1-CB 4.32Å; I196-L299 HydrophobicContact CD1-CD1 3.25Å; I196-L299 HydrophobicContact CD1-CG 4.35Å; I196-V302 HydrophobicContact CD1-CB 3.99Å; I196-V302 HydrophobicContact CD1-CG1 3.94Å; I196-V302 HydrophobicContact CD1-CG2 4.02Å; I196-V302 HydrophobicContact CG1-CB 4.42Å; I196-V302 HydrophobicContact CG1-CG1 4.07Å; I196-V302 HydrophobicContact CG1-CG2 4.12Å
197P91.6Very high95.3Very high63 Ų6339.1 Ų39.141%0.40921%0.211SC..SBendtrans-78.843.1-178.836.2-37.7000111.5F295P197-F295 HydrophobicContact CG-CB 3.77Å; P197-F295 HydrophobicContact CG-CD1 4.06Å; P197-F295 HydrophobicContact CG-CD2 3.84Å; P197-F295 HydrophobicContact CG-CE2 4.48Å; P197-F295 HydrophobicContact CG-CG 3.61Å
198I93.9Very high95.6Very high1 Ų133.4 Ų33.41%0.00519%0.189CC..  trans-141.6125.3177.7-64.5-172000108T178 I196 D202 I284 F285 P288 V291T178-I198 VanDerWaalsContact CB-O 3.24Å; T178-I198 WeakPolarHBondContact CB-O 3.25Å; T178-I198 PolarHBondContact OG1-O 2.92Å; I196-I198 HydrophobicContact CG2-CB 3.97Å; I196-I198 HydrophobicContact CG2-CG1 4.38Å; I196-I198 PolarHBondContact O-N 2.89Å; I198-D202 WeakPolarHBondContact CA-OD2 3.49Å; I198-I284 HydrophobicContact CD1-CB 4.39Å; I198-I284 HydrophobicContact CD1-CG1 4.41Å; I198-I284 WeakPolarHBondContact CD1-O 3.45Å; I198-I284 HydrophobicContact CG2-CD1 3.8Å; I198-I284 HydrophobicContact CG2-CG1 3.73Å; I198-F285 HydrophobicContact CG2-CD1 4.12Å; I198-F285 HydrophobicContact CG2-CE1 4.08Å; I198-P288 HydrophobicContact CD1-CB 3.25Å; I198-P288 HydrophobicContact CG1-CB 4.48Å; I198-V291 HydrophobicContact CD1-CG2 4.11Å
199A94.6Very high95.7Very high0 Ų036.2 Ų36.20%020%0.199CC..  trans-148.5-168.117900000111.3D175 G176 R201 D202 I203D175-A199 VanDerWaalsContact O-CB 3.29Å; D175-A199 WeakPolarHBondContact O-CB 3.43Å; G176-A199 VanDerWaalsContact C-CB 3.47Å; A199-R201 PolarHBondContact O-N 3.49Å; A199-D202 PolarHBondContact N-OD2 2.71Å; A199-D202 PolarHBondContact O-N 2.88Å; A199-I203 WeakPolarHBondContact O-CG1 3.47Å; A199-I203 PolarHBondContact O-N 3Å; A199-I203 VanDerWaalsContact O-N 3.16Å
200G95.5Very high95.8Very high0 Ų036.1 Ų36.10%020%0.199CC..Hα-helixtrans-57.1-33.7-176.900000113.9G174 D175 T204 K231 S328G174-G200 PolarHBondContact O-N 3.22Å; D175-G200 PolarHBondContact O-N 3.09Å; G200-T204 PolarHBondContact O-N 3.47Å; G200-T204 VanDerWaalsContact O-N 3.09Å; G200-T204 PolarHBondContact O-OG1 3.47Å; G200-K231 PolarHBondContact O-NZ 2.77Å; G200-S328 WeakPolarHBondContact CA-OG 3.01Å; G200-S328 PolarHBondContact N-OG 3.09Å
201R94.8Very high96Very high88 Ų8834.7 Ų34.733%0.33218%0.184SC..Hα-helixtrans-69.6-42.3178.6-172.9170.4-61.4164.74.1112.6D175 A199 T204 S205D175-R201 VanDerWaalsContact O-CB 3.22Å; D175-R201 WeakPolarHBondContact O-CB 3.45Å; D175-R201 PolarHBondContact O-N 3.33Å; D175-R201 PolarHBondContact OD1-N 2.93Å; D175-R201 IonicContact OD2-CZ 2.82Å; D175-R201 IonicContact OD2-NE 2.75Å; D175-R201 PolarHBondContact OD2-NE 3.4Å; D175-R201 IonicContact OD2-NH2 3.65Å; D175-R201 PolarHBondContact OD2-NH2 2.84Å; A199-R201 PolarHBondContact O-N 3.49Å; R201-T204 PolarHBondContact O-N 2.78Å; R201-S205 WeakPolarHBondContact O-CB 3.48Å; R201-S205 PolarHBondContact O-N 2.8Å; R201-S205 PolarHBondContact O-OG 2.98Å
202D96.2Very high95.9Very high58 Ų5836 Ų3631%0.3117%0.172SC..Hα-helixtrans-65.5-42.6178.8-49.6-68.3000110.5I198 A199 T204 S205 F206 I284I198-D202 WeakPolarHBondContact CA-OD2 3.49Å; A199-D202 PolarHBondContact N-OD2 2.71Å; A199-D202 PolarHBondContact O-N 2.88Å; D202-T204 VanDerWaalsContact C-N 3.33Å; D202-T204 PolarHBondContact O-N 2.86Å; D202-S205 PolarHBondContact O-N 3.22Å; D202-F206 WeakPolarHBondContact O-CB 3.24Å; D202-F206 PolarHBondContact O-N 2.8Å; D202-I284 HydrophobicContact CB-CD1 4.39Å
203I97.8Very high95.8Very high0 Ų042.3 Ų42.30%020%0.2CC..Hα-helixtrans-60-45174.6-61.3170.3000110.8A199 S205 F206 I207 K231 I284 F285 F331A199-I203 WeakPolarHBondContact O-CG1 3.47Å; A199-I203 PolarHBondContact O-N 3Å; A199-I203 VanDerWaalsContact O-N 3.16Å; I203-S205 VanDerWaalsContact C-N 3.33Å; I203-S205 PolarHBondContact O-N 2.9Å; I203-F206 PolarHBondContact O-N 3.31Å; I203-I207 HydrophobicContact CG2-CD1 3.88Å; I203-I207 VanDerWaalsContact O-CG1 3.32Å; I203-I207 WeakPolarHBondContact O-CG1 3.3Å; I203-I207 PolarHBondContact O-N 3.08Å; I203-K231 HydrophobicContact CB-CD 4.05Å; I203-K231 HydrophobicContact CG2-CD 3.65Å; I203-K231 HydrophobicContact CG2-CG 3.86Å; I203-I284 HydrophobicContact CB-CD1 4.22Å; I203-I284 HydrophobicContact CG1-CD1 3.51Å; I203-I284 HydrophobicContact CG1-CG1 3.93Å; I203-F285 HydrophobicContact CD1-CD2 4.28Å; I203-F285 HydrophobicContact CD1-CE2 3.54Å; I203-F285 HydrophobicContact CD1-CZ 3.84Å; I203-F331 HydrophobicContact CD1-CE2 3.56Å; I203-F331 HydrophobicContact CD1-CZ 3.85Å; I203-F331 HydrophobicContact CG2-CZ 4.11Å
204T97.9Very high95.7Very high8 Ų846 Ų465%0.04921%0.213CC..Hα-helixtrans-62.2-44178.3-47.90000111.1G200 R201 D202 F206 I207 Q208 M224 A227 K228 K231G200-T204 PolarHBondContact O-N 3.47Å; G200-T204 VanDerWaalsContact O-N 3.09Å; G200-T204 PolarHBondContact O-OG1 3.47Å; R201-T204 PolarHBondContact O-N 2.78Å; D202-T204 VanDerWaalsContact C-N 3.33Å; D202-T204 PolarHBondContact O-N 2.86Å; T204-F206 VanDerWaalsContact C-N 3.35Å; T204-I207 PolarHBondContact O-N 2.78Å; T204-Q208 WeakPolarHBondContact O-CB 3.36Å; T204-Q208 PolarHBondContact O-N 2.97Å; T204-M224 HydrophobicContact CG2-SD 3.58Å; T204-M224 VanDerWaalsContact CG2-SD 3.58Å; T204-A227 HydrophobicContact CG2-CB 4.03Å; T204-K228 HydrophobicContact CG2-CB 3.89Å; T204-K231 WeakPolarHBondContact OG1-CE 3.19Å; T204-K231 PolarHBondContact OG1-NZ 2.8Å
205S97.2Very high95.5Very high46 Ų4644.3 Ų44.332%0.32221%0.206SC..Hα-helixtrans-67.7-36.5-179.1-55.20000111.6R201 D202 I203 Q208 H209R201-S205 WeakPolarHBondContact O-CB 3.48Å; R201-S205 PolarHBondContact O-N 2.8Å; R201-S205 PolarHBondContact O-OG 2.98Å; D202-S205 PolarHBondContact O-N 3.22Å; I203-S205 VanDerWaalsContact C-N 3.33Å; I203-S205 PolarHBondContact O-N 2.9Å; S205-Q208 WeakPolarHBondContact O-CB 3.42Å; S205-Q208 PolarHBondContact O-N 2.9Å; S205-H209 PolarHBondContact O-N 3.35Å
206F97.8Very high95.3Very high24 Ų2447.6 Ų47.611%0.10523%0.227CC..Hα-helixtrans-67.1-46.1174.6-177-133.5000112.1D202 I203 T204 Q208 H209 L210 L280 I284 F290 V291D202-F206 WeakPolarHBondContact O-CB 3.24Å; D202-F206 PolarHBondContact O-N 2.8Å; I203-F206 PolarHBondContact O-N 3.31Å; T204-F206 VanDerWaalsContact C-N 3.35Å; F206-Q208 VanDerWaalsContact C-N 3.27Å; F206-Q208 PolarHBondContact O-N 3.23Å; F206-H209 WeakPolarHBondContact O-CB 3.41Å; F206-H209 PolarHBondContact O-N 3.03Å; F206-H209 VanDerWaalsContact O-N 3.11Å; F206-L210 HydrophobicContact CD1-CD1 4.32Å; F206-L210 HydrophobicContact CD2-CG 4.44Å; F206-L210 HydrophobicContact CE1-CD1 3.96Å; F206-L210 HydrophobicContact CE2-CD1 4.31Å; F206-L210 HydrophobicContact CE2-CD2 4.14Å; F206-L210 HydrophobicContact CE2-CG 4.13Å; F206-L210 HydrophobicContact CZ-CD1 3.94Å; F206-L210 HydrophobicContact CZ-CD2 4.23Å; F206-L210 HydrophobicContact CZ-CG 4.24Å; F206-L210 WeakPolarHBondContact O-CG 3.46Å; F206-L210 PolarHBondContact O-N 3.47Å; F206-L280 HydrophobicContact CE1-CB 4.01Å; F206-L280 WeakPolarHBondContact CE1-O 3.32Å; F206-I284 HydrophobicContact CD1-CG2 3.48Å; F206-I284 VanDerWaalsContact CD1-CG2 3.48Å; F206-I284 HydrophobicContact CE1-CG2 3.62Å; F206-I284 HydrophobicContact CG-CG2 4.27Å; F206-F290 HydrophobicContact CZ-CB 4.3Å; F206-F290 HydrophobicContact CZ-CD2 4.42Å; F206-V291 HydrophobicContact CB-CG1 3.7Å; F206-V291 HydrophobicContact CD1-CG1 4.12Å; F206-V291 HydrophobicContact CD2-CG1 3.52Å; F206-V291 HydrophobicContact CE2-CG1 4.15Å; F206-V291 HydrophobicContact CG-CG1 3.51Å
207I98.2Very high95.2Very high0 Ų051.1 Ų51.10%025%0.246CC..Hα-helixtrans-59.3-42173.8-69.7169.8000110.4I203 T204 H209 L210 L211 A227 I230 K231 E277I203-I207 HydrophobicContact CG2-CD1 3.88Å; I203-I207 VanDerWaalsContact O-CG1 3.32Å; I203-I207 WeakPolarHBondContact O-CG1 3.3Å; I203-I207 PolarHBondContact O-N 3.08Å; T204-I207 PolarHBondContact O-N 2.78Å; I207-H209 VanDerWaalsContact C-N 3.3Å; I207-H209 PolarHBondContact O-N 3.1Å; I207-L210 PolarHBondContact O-N 3.3Å; I207-L211 HydrophobicContact CG2-CD1 3.86Å; I207-L211 HydrophobicContact CG2-CG 4.33Å; I207-L211 VanDerWaalsContact O-CG 3.28Å; I207-L211 WeakPolarHBondContact O-CG 3.35Å; I207-L211 PolarHBondContact O-N 2.72Å; I207-A227 HydrophobicContact CB-CB 4.48Å; I207-A227 HydrophobicContact CG2-CB 4.06Å; I207-I230 HydrophobicContact CG2-CB 4.33Å; I207-I230 HydrophobicContact CG2-CG2 3.91Å; I207-K231 HydrophobicContact CD1-CB 3.64Å; I207-K231 HydrophobicContact CD1-CG 3.9Å; I207-E277 HydrophobicContact CG1-CB 4.32Å; I207-E277 HydrophobicContact CG2-CB 4.22Å; I207-E277 HydrophobicContact CG2-CG 4.3Å
208Q97.6Very high95.4Very high22 Ų2249.2 Ų49.210%0.10323%0.232CC..Hα-helixtrans-58-43.3175.6-174.4-173.736.300111.8T204 S205 F206 L211 R212 S223 M224 A227T204-Q208 WeakPolarHBondContact O-CB 3.36Å; T204-Q208 PolarHBondContact O-N 2.97Å; S205-Q208 WeakPolarHBondContact O-CB 3.42Å; S205-Q208 PolarHBondContact O-N 2.9Å; F206-Q208 VanDerWaalsContact C-N 3.27Å; F206-Q208 PolarHBondContact O-N 3.23Å; Q208-L211 PolarHBondContact O-N 3.07Å; Q208-R212 WeakPolarHBondContact O-CG 3.32Å; Q208-R212 PolarHBondContact O-N 2.9Å; Q208-S223 VanDerWaalsContact CG-OG 3.24Å; Q208-S223 WeakPolarHBondContact CG-OG 3.18Å; Q208-S223 PolarHBondContact NE2-OG 2.91Å; Q208-M224 VanDerWaalsContact OE1-CE 3.24Å; Q208-A227 HydrophobicContact CB-CB 3.7Å; Q208-A227 HydrophobicContact CG-CB 4.39Å
209H96.8Very high95.3Very high99 Ų9950 Ų5046%0.45824%0.237SC..Hα-helixtrans-62-50177.1178.453.5000111.4S205 F206 I207 L211 R212 E213S205-H209 PolarHBondContact O-N 3.35Å; F206-H209 WeakPolarHBondContact O-CB 3.41Å; F206-H209 PolarHBondContact O-N 3.03Å; F206-H209 VanDerWaalsContact O-N 3.11Å; I207-H209 VanDerWaalsContact C-N 3.3Å; I207-H209 PolarHBondContact O-N 3.1Å; H209-L211 VanDerWaalsContact C-N 3.29Å; H209-L211 PolarHBondContact O-N 2.68Å; H209-R212 PolarHBondContact O-N 3.45Å; H209-R212 VanDerWaalsContact O-N 3.09Å; H209-E213 IonicContact CE1-OE1 2.8Å; H209-E213 PolarHBondContact CE1-OE1 2.85Å; H209-E213 IonicContact NE2-OE1 3.39Å; H209-E213 PolarHBondContact NE2-OE1 3.14Å; H209-E213 PolarHBondContact O-N 2.77Å
210L97Very high95.2Very high29 Ų2955.2 Ų55.215%0.15227%0.271CS..Hα-helixtrans-58-39.6177.5-65.7175.4000112.7F206 I207 E213 E277 L280F206-L210 HydrophobicContact CD1-CD1 4.32Å; F206-L210 HydrophobicContact CD2-CG 4.44Å; F206-L210 HydrophobicContact CE1-CD1 3.96Å; F206-L210 HydrophobicContact CE2-CD1 4.31Å; F206-L210 HydrophobicContact CE2-CD2 4.14Å; F206-L210 HydrophobicContact CE2-CG 4.13Å; F206-L210 HydrophobicContact CZ-CD1 3.94Å; F206-L210 HydrophobicContact CZ-CD2 4.23Å; F206-L210 HydrophobicContact CZ-CG 4.24Å; F206-L210 WeakPolarHBondContact O-CG 3.46Å; F206-L210 PolarHBondContact O-N 3.47Å; I207-L210 PolarHBondContact O-N 3.3Å; L210-E213 PolarHBondContact O-N 2.65Å; L210-E277 HydrophobicContact CB-CB 4.18Å; L210-E277 HydrophobicContact CD1-CB 3.74Å; L210-L280 HydrophobicContact CD1-CB 3.92Å; L210-L280 HydrophobicContact CD1-CD1 4.05Å; L210-L280 HydrophobicContact CD2-CD1 4.5Å
211L97.1Very high94.9Very high2 Ų261.2 Ų61.21%0.0130%0.299CS..Hα-helixtrans-66.5-40.8176.6-70.3168.5000111.8I207 Q208 H209 E213 R214 E215 I218 V226 A227 I230 V272 E277I207-L211 HydrophobicContact CG2-CD1 3.86Å; I207-L211 HydrophobicContact CG2-CG 4.33Å; I207-L211 VanDerWaalsContact O-CG 3.28Å; I207-L211 WeakPolarHBondContact O-CG 3.35Å; I207-L211 PolarHBondContact O-N 2.72Å; Q208-L211 PolarHBondContact O-N 3.07Å; H209-L211 VanDerWaalsContact C-N 3.29Å; H209-L211 PolarHBondContact O-N 2.68Å; L211-E213 VanDerWaalsContact C-N 3.25Å; L211-E213 PolarHBondContact O-N 2.71Å; L211-R214 PolarHBondContact O-N 2.98Å; L211-E215 HydrophobicContact CD2-CG 4.2Å; L211-E215 WeakPolarHBondContact O-CA 3.36Å; L211-E215 VanDerWaalsContact O-CB 3.29Å; L211-E215 WeakPolarHBondContact O-CB 3.03Å; L211-E215 PolarHBondContact O-N 3.2Å; L211-I218 HydrophobicContact CB-CD1 4.07Å; L211-V226 HydrophobicContact CD1-CG1 4.49Å; L211-A227 HydrophobicContact CD1-CB 4.22Å; L211-I230 HydrophobicContact CD1-CD1 3.54Å; L211-I230 HydrophobicContact CD2-CD1 3.84Å; L211-I230 HydrophobicContact CG-CD1 4.33Å; L211-V272 HydrophobicContact CD2-CG1 4.12Å; L211-E277 HydrophobicContact CD2-CG 4.37Å; L211-E277 WeakPolarHBondContact CD2-OE1 3.06Å
212R95Very high94.7Very high141 Ų14158.8 Ų58.853%0.53229%0.293SS..Hα-helixtrans-65.5-28.1179.7-75.6174.4178.2-174.7-1113.4Q208 H209 R214 S223Q208-R212 WeakPolarHBondContact O-CG 3.32Å; Q208-R212 PolarHBondContact O-N 2.9Å; H209-R212 PolarHBondContact O-N 3.45Å; H209-R212 VanDerWaalsContact O-N 3.09Å; R212-R214 VanDerWaalsContact C-N 3.32Å; R212-S223 PolarHBondContact NE-OG 3.37Å
213E93.7Very high94.6Very high138 Ų13856.2 Ų56.265%0.64528%0.279SS*.Hα-helixtrans-73.5-25.5177.7-67.4-169.8147.900113H209 L210 L211H209-E213 IonicContact CE1-OE1 2.8Å; H209-E213 PolarHBondContact CE1-OE1 2.85Å; H209-E213 IonicContact NE2-OE1 3.39Å; H209-E213 PolarHBondContact NE2-OE1 3.14Å; H209-E213 PolarHBondContact O-N 2.77Å; L210-E213 PolarHBondContact O-N 2.65Å; L211-E213 VanDerWaalsContact C-N 3.25Å; L211-E213 PolarHBondContact O-N 2.71Å
214R94.4Very high94.4Very high94 Ų9460.2 Ų60.236%0.35530%0.299SS..Hα-helixtrans-110.8-39.3-174.9-169.1-179.671.7-133.6-7.4113.7L211 R212 D273 E277L211-R214 PolarHBondContact O-N 2.98Å; R212-R214 VanDerWaalsContact C-N 3.32Å; R214-D273 PolarHBondContact NH2-O 2.84Å; R214-E277 IonicContact CZ-OE1 3.75Å; R214-E277 IonicContact CZ-OE2 3.63Å; R214-E277 IonicContact NH1-OE1 3.46Å; R214-E277 IonicContact NH1-OE2 2.74Å; R214-E277 PolarHBondContact NH1-OE2 2.93Å; R214-E277 IonicContact NH2-OE1 2.88Å; R214-E277 PolarHBondContact NH2-OE1 3.28Å; R214-E277 IonicContact NH2-OE2 3.21Å; R214-E277 PolarHBondContact NH2-OE2 3.24Å
215E91.9Very high94.2Very high28 Ų2864.2 Ų64.213%0.13132%0.317CS..  trans-109104.8-166-54.7-69.2143.900111.3L211 I218 V272 D273L211-E215 HydrophobicContact CD2-CG 4.2Å; L211-E215 WeakPolarHBondContact O-CA 3.36Å; L211-E215 VanDerWaalsContact O-CB 3.29Å; L211-E215 WeakPolarHBondContact O-CB 3.03Å; L211-E215 PolarHBondContact O-N 3.2Å; E215-I218 HydrophobicContact CB-CD1 3.87Å; E215-I218 HydrophobicContact CB-CG1 4.15Å; E215-V272 HydrophobicContact CB-CG1 3.96Å; E215-V272 HydrophobicContact CG-CG1 3.49Å; E215-V272 VanDerWaalsContact CG-CG1 3.49Å; E215-D273 PolarHBondContact OE2-N 3.01Å
216N89.3Confident94.1Very high154 Ų15462 Ų6282%0.82430%0.302SS*.THydrogen-bonded Turntrans-86.2-8.9-175.1-64.7-31.3000114.4
217N92Very high94.1Very high78 Ų7860.9 Ų60.942%0.41730%0.297SS..THydrogen-bonded Turntrans-94.1-1-171.867.7-14.4000114P219 S271N217-P219 WeakPolarHBondContact O-CD 3.43Å; N217-S271 PolarHBondContact ND2-O 2.99Å
218I94.3Very high94Very high23 Ų2363.3 Ų63.312%0.11831%0.307CS..SBendtrans-83.2117.6-178.9-50.7178000109.6L211 E215 V226 F270 V272L211-I218 HydrophobicContact CB-CD1 4.07Å; E215-I218 HydrophobicContact CB-CD1 3.87Å; E215-I218 HydrophobicContact CB-CG1 4.15Å; I218-V226 HydrophobicContact CD1-CG1 4.24Å; I218-V226 HydrophobicContact CG2-CB 4.38Å; I218-V226 HydrophobicContact CG2-CG2 4.21Å; I218-F270 HydrophobicContact CB-CE2 4.5Å; I218-F270 HydrophobicContact CG1-CE2 4.23Å; I218-V272 HydrophobicContact CD1-CG1 3.84Å; I218-V272 HydrophobicContact CD1-CG2 4.07Å; I218-V272 HydrophobicContact CG1-CG1 4.33Å; I218-V272 HydrophobicContact CG1-CG2 3.81Å
219P93.3Very high94Very high19 Ų1964.3 Ų64.312%0.12331%0.312CS..  trans-60.4139.2175.1-23.835.3000111.5N217 E221 L222 S223 Y267 F270N217-P219 WeakPolarHBondContact O-CD 3.43Å; P219-E221 PolarHBondContact O-N 3.41Å; P219-E221 VanDerWaalsContact O-N 3.16Å; P219-L222 HydrophobicContact CB-CD1 4.5Å; P219-L222 HydrophobicContact CB-CG 4.39Å; P219-L222 HydrophobicContact CG-CD1 4.15Å; P219-L222 PolarHBondContact O-N 2.96Å; P219-S223 PolarHBondContact O-N 3.15Å; P219-S223 VanDerWaalsContact O-N 3.14Å; P219-Y267 HydrophobicContact CB-CD1 4.07Å; P219-Y267 HydrophobicContact CB-CE1 3.61Å; P219-Y267 HydrophobicContact CB-CE2 4.12Å; P219-Y267 HydrophobicContact CG-CD1 3.62Å; P219-Y267 HydrophobicContact CG-CD2 4.4Å; P219-Y267 HydrophobicContact CG-CE1 3.69Å; P219-Y267 HydrophobicContact CG-CE2 4.44Å; P219-Y267 HydrophobicContact CG-CG 3.99Å; P219-F270 HydrophobicContact CG-CE1 4.43Å
220P91.6Very high94Very high109 Ų10959.6 Ų59.671%0.70829%0.29SS*.G310 helixtrans-54.6-37.8-179.2-28.835.4000113.8L222 S223P220-L222 VanDerWaalsContact C-N 3.26Å; P220-L222 PolarHBondContact O-N 2.9Å; P220-S223 VanDerWaalsContact O-CB 3.32Å; P220-S223 WeakPolarHBondContact O-CB 3.44Å; P220-S223 PolarHBondContact O-N 3.32Å
221E88.7Confident94.1Very high126 Ų12658.9 Ų58.959%0.58929%0.286SS*.G310 helixtrans-63.7-27.8177.9-61.8-175.7-159.400113.3P219 K266P219-E221 PolarHBondContact O-N 3.41Å; P219-E221 VanDerWaalsContact O-N 3.16Å; E221-K266 IonicContact OE1-NZ 3.5Å; E221-K266 PolarHBondContact OE1-NZ 2.94Å; E221-K266 IonicContact OE2-NZ 2.7Å; E221-K266 PolarHBondContact OE2-NZ 2.89Å
222L91.8Very high94.1Very high37 Ų3763.8 Ų63.819%0.19431%0.309CS..G310 helixtrans-97.8-8.7-179.7-61.7-176.5000112.9P219 P220 M224 E225 V226 Y267 F270P219-L222 HydrophobicContact CB-CD1 4.5Å; P219-L222 HydrophobicContact CB-CG 4.39Å; P219-L222 HydrophobicContact CG-CD1 4.15Å; P219-L222 PolarHBondContact O-N 2.96Å; P220-L222 VanDerWaalsContact C-N 3.26Å; P220-L222 PolarHBondContact O-N 2.9Å; L222-M224 VanDerWaalsContact C-N 3.32Å; L222-M224 PolarHBondContact O-N 3.16Å; L222-E225 PolarHBondContact O-N 2.88Å; L222-E225 VanDerWaalsContact O-N 3.11Å; L222-V226 HydrophobicContact CB-CG2 4.27Å; L222-V226 WeakPolarHBondContact O-CG2 3.22Å; L222-V226 PolarHBondContact O-N 2.84Å; L222-Y267 HydrophobicContact CD1-CD2 3.61Å; L222-Y267 HydrophobicContact CD1-CE2 4.17Å; L222-Y267 HydrophobicContact CD1-CG 4.14Å; L222-Y267 HydrophobicContact CD2-CD2 4.45Å; L222-Y267 HydrophobicContact CG-CD2 4Å; L222-Y267 HydrophobicContact CG-CE2 4.06Å; L222-F270 HydrophobicContact CD1-CE1 3.89Å; L222-F270 HydrophobicContact CD1-CZ 4.19Å
223S94.1Very high94.2Very high4 Ų465 Ų653%0.02831%0.313CS..Hα-helixtrans-57.3-41.6-168.3179.40000113.3Q208 R212 P219 P220 A227Q208-S223 VanDerWaalsContact CG-OG 3.24Å; Q208-S223 WeakPolarHBondContact CG-OG 3.18Å; Q208-S223 PolarHBondContact NE2-OG 2.91Å; R212-S223 PolarHBondContact NE-OG 3.37Å; P219-S223 PolarHBondContact O-N 3.15Å; P219-S223 VanDerWaalsContact O-N 3.14Å; P220-S223 VanDerWaalsContact O-CB 3.32Å; P220-S223 WeakPolarHBondContact O-CB 3.44Å; P220-S223 PolarHBondContact O-N 3.32Å; S223-A227 WeakPolarHBondContact O-CB 3.47Å; S223-A227 PolarHBondContact O-N 3.34Å; S223-A227 VanDerWaalsContact O-N 3.15Å
224M93.3Very high94.3Very high84 Ų8460.8 Ų60.841%0.41429%0.292SS..Hα-helixtrans-71.8-40.1178.8-171.362.274.700112.1T204 Q208 L222 A227 K228T204-M224 HydrophobicContact CG2-SD 3.58Å; T204-M224 VanDerWaalsContact CG2-SD 3.58Å; Q208-M224 VanDerWaalsContact OE1-CE 3.24Å; L222-M224 VanDerWaalsContact C-N 3.32Å; L222-M224 PolarHBondContact O-N 3.16Å; M224-A227 PolarHBondContact O-N 3.2Å; M224-K228 WeakPolarHBondContact O-CB 3.46Å; M224-K228 PolarHBondContact O-N 3.29Å
225E92.5Very high94.5Very high91 Ų9157 Ų5743%0.42528%0.28SS..Hα-helixtrans-66.2-43.6179.4178.954.3-150.300111.2L222 A227 K228 Q229L222-E225 PolarHBondContact O-N 2.88Å; L222-E225 VanDerWaalsContact O-N 3.11Å; E225-A227 PolarHBondContact O-N 2.8Å; E225-K228 PolarHBondContact O-N 3.01Å; E225-Q229 WeakPolarHBondContact O-CG 3.37Å; E225-Q229 PolarHBondContact O-N 3.14Å; E225-Q229 PolarHBondContact OE1-NE2 2.76Å
226V96.1Very high94.8Very high1 Ų156.9 Ų56.91%0.00628%0.278CS..Hα-helixtrans-62-44.8175.4174.10000110.9L211 I218 L222 K228 Q229 I230 V261 F270L211-V226 HydrophobicContact CD1-CG1 4.49Å; I218-V226 HydrophobicContact CD1-CG1 4.24Å; I218-V226 HydrophobicContact CG2-CB 4.38Å; I218-V226 HydrophobicContact CG2-CG2 4.21Å; L222-V226 HydrophobicContact CB-CG2 4.27Å; L222-V226 WeakPolarHBondContact O-CG2 3.22Å; L222-V226 PolarHBondContact O-N 2.84Å; V226-K228 VanDerWaalsContact C-N 3.31Å; V226-K228 PolarHBondContact O-N 3.23Å; V226-Q229 PolarHBondContact O-N 3.1Å; V226-I230 HydrophobicContact CG1-CD1 3.82Å; V226-I230 WeakPolarHBondContact O-CB 3.43Å; V226-I230 WeakPolarHBondContact O-CG1 3.44Å; V226-I230 PolarHBondContact O-N 3.11Å; V226-V261 HydrophobicContact CG1-CG2 4.29Å; V226-V261 HydrophobicContact CG2-CG1 4.23Å; V226-V261 HydrophobicContact CG2-CG2 3.71Å; V226-F270 HydrophobicContact CG2-CZ 4.35Å
227A97.8Very high95.3Very high0 Ų049.7 Ų49.70%024%0.24CC..Hα-helixtrans-60.5-40.8176.400000112.2T204 I207 Q208 L211 S223 M224 E225 I230 K231T204-A227 HydrophobicContact CG2-CB 4.03Å; I207-A227 HydrophobicContact CB-CB 4.48Å; I207-A227 HydrophobicContact CG2-CB 4.06Å; Q208-A227 HydrophobicContact CB-CB 3.7Å; Q208-A227 HydrophobicContact CG-CB 4.39Å; L211-A227 HydrophobicContact CD1-CB 4.22Å; S223-A227 WeakPolarHBondContact O-CB 3.47Å; S223-A227 PolarHBondContact O-N 3.34Å; S223-A227 VanDerWaalsContact O-N 3.15Å; M224-A227 PolarHBondContact O-N 3.2Å; E225-A227 PolarHBondContact O-N 2.8Å; A227-I230 PolarHBondContact O-N 3.29Å; A227-K231 WeakPolarHBondContact O-CB 3.14Å; A227-K231 PolarHBondContact O-N 3.38Å
228K96.5Very high95.5Very high50 Ų5046 Ų4622%0.21722%0.22CC..Hα-helixtrans-65.1-44.8176.2-176.2-175.7167.8-164.60112Y16 T204 M224 E225 V226 I230 K231 E232Y16-K228 PolarHBondContact OH-NZ 3.49Å; T204-K228 HydrophobicContact CG2-CB 3.89Å; M224-K228 WeakPolarHBondContact O-CB 3.46Å; M224-K228 PolarHBondContact O-N 3.29Å; E225-K228 PolarHBondContact O-N 3.01Å; V226-K228 VanDerWaalsContact C-N 3.31Å; V226-K228 PolarHBondContact O-N 3.23Å; K228-I230 VanDerWaalsContact C-N 3.28Å; K228-I230 PolarHBondContact O-N 3.46Å; K228-K231 WeakPolarHBondContact O-CB 3.48Å; K228-K231 PolarHBondContact O-N 3.16Å; K228-E232 WeakPolarHBondContact CE-OE1 3.46Å; K228-E232 WeakPolarHBondContact O-CG 3.22Å; K228-E232 PolarHBondContact O-N 3.26Å
229Q96.6Very high95.6Very high43 Ų4348.5 Ų48.520%0.20124%0.238CC..Hα-helixtrans-61.3-40175.4-70.4-178.729.100111.4E225 V226 E232 R233 H259E225-Q229 WeakPolarHBondContact O-CG 3.37Å; E225-Q229 PolarHBondContact O-N 3.14Å; E225-Q229 PolarHBondContact OE1-NE2 2.76Å; V226-Q229 PolarHBondContact O-N 3.1Å; Q229-E232 PolarHBondContact O-N 2.64Å; Q229-R233 VanDerWaalsContact O-CB 3.28Å; Q229-R233 WeakPolarHBondContact O-CB 3.36Å; Q229-R233 WeakPolarHBondContact O-CG 3.47Å; Q229-R233 PolarHBondContact O-N 3.37Å; Q229-H259 PolarHBondContact OE1-NE2 3.4Å
230I97.6Very high95.7Very high0 Ų050.3 Ų50.30%025%0.246CC..Hα-helixtrans-64.4-45.2176.5-74.8169.7000111.3I207 L211 V226 A227 K228 E232 Y234 S235 V274 E277I207-I230 HydrophobicContact CG2-CB 4.33Å; I207-I230 HydrophobicContact CG2-CG2 3.91Å; L211-I230 HydrophobicContact CD1-CD1 3.54Å; L211-I230 HydrophobicContact CD2-CD1 3.84Å; L211-I230 HydrophobicContact CG-CD1 4.33Å; V226-I230 HydrophobicContact CG1-CD1 3.82Å; V226-I230 WeakPolarHBondContact O-CB 3.43Å; V226-I230 WeakPolarHBondContact O-CG1 3.44Å; V226-I230 PolarHBondContact O-N 3.11Å; A227-I230 PolarHBondContact O-N 3.29Å; K228-I230 VanDerWaalsContact C-N 3.28Å; K228-I230 PolarHBondContact O-N 3.46Å; I230-E232 PolarHBondContact O-N 3.12Å; I230-Y234 HydrophobicContact CG1-CD2 4.41Å; I230-Y234 PolarHBondContact O-N 3.03Å; I230-S235 PolarHBondContact O-OG 3.22Å; I230-V274 HydrophobicContact CD1-CG2 3.8Å; I230-V274 HydrophobicContact CG1-CG1 4.44Å; I230-V274 HydrophobicContact CG1-CG2 3.92Å; I230-V274 HydrophobicContact CG2-CG1 3.67Å; I230-E277 HydrophobicContact CG2-CG 4.06Å
231K98.2Very high95.9Very high15 Ų1546.2 Ų46.27%0.06522%0.218CC..Hα-helixtrans-52.5-55.7174.1-173.9-175.368.2176.90111.3G200 I203 T204 I207 A227 K228 S235 F331G200-K231 PolarHBondContact O-NZ 2.77Å; I203-K231 HydrophobicContact CB-CD 4.05Å; I203-K231 HydrophobicContact CG2-CD 3.65Å; I203-K231 HydrophobicContact CG2-CG 3.86Å; T204-K231 WeakPolarHBondContact OG1-CE 3.19Å; T204-K231 PolarHBondContact OG1-NZ 2.8Å; I207-K231 HydrophobicContact CD1-CB 3.64Å; I207-K231 HydrophobicContact CD1-CG 3.9Å; A227-K231 WeakPolarHBondContact O-CB 3.14Å; A227-K231 PolarHBondContact O-N 3.38Å; K228-K231 WeakPolarHBondContact O-CB 3.48Å; K228-K231 PolarHBondContact O-N 3.16Å; K231-S235 WeakPolarHBondContact CA-OG 3.27Å; K231-S235 WeakPolarHBondContact O-CB 3.37Å; K231-S235 PolarHBondContact O-N 3.43Å; K231-S235 PolarHBondContact O-OG 3.04Å; K231-F331 HydrophobicContact CD-CZ 4.24Å; K231-F331 HydrophobicContact CG-CE1 3.93Å; K231-F331 HydrophobicContact CG-CZ 3.9Å
232E96.7Very high96.3Very high105 Ų10544.8 Ų44.849%0.49122%0.22SC..Hα-helixtrans-74.4-29.8-171-68178.3-174.300113.5K228 Q229 I230K228-E232 WeakPolarHBondContact CE-OE1 3.46Å; K228-E232 WeakPolarHBondContact O-CG 3.22Å; K228-E232 PolarHBondContact O-N 3.26Å; Q229-E232 PolarHBondContact O-N 2.64Å; I230-E232 PolarHBondContact O-N 3.12Å
233R96.9Very high96.5Very high167 Ų16749.6 Ų49.663%0.6324%0.239SC*.Hα-helixtrans-96.5-33.7-174.8-65.5-179.1-176-173.86.2114.5Q229Q229-R233 VanDerWaalsContact O-CB 3.28Å; Q229-R233 WeakPolarHBondContact O-CB 3.36Å; Q229-R233 WeakPolarHBondContact O-CG 3.47Å; Q229-R233 PolarHBondContact O-N 3.37Å
234Y97.7Very high96.7Very high49 Ų4949.7 Ų49.719%0.19224%0.239CC..Hα-helixtrans-119.3-15.1-166.7-58.2-90.8000114.4I230 Y236 K257 H259 V274 R278I230-Y234 HydrophobicContact CG1-CD2 4.41Å; I230-Y234 PolarHBondContact O-N 3.03Å; Y234-Y236 WeakPolarHBondContact O-CD1 3.47Å; Y234-K257 HydrophobicContact CD1-CB 4.18Å; Y234-K257 HydrophobicContact CE1-CB 4.1Å; Y234-H259 HydrophobicContact CE2-CB 4.02Å; Y234-H259 AromaticContact CE2-CG 3.86Å; Y234-H259 AromaticContact CE2-ND1 3.4Å; Y234-H259 WeakPolarHBondContact CE2-ND1 3.31Å; Y234-H259 AromaticContact CZ-ND1 3.62Å; Y234-H259 PolarHBondContact OH-ND1 3.45Å; Y234-V274 HydrophobicContact CD2-CG1 4.48Å; Y234-V274 HydrophobicContact CG-CG1 4.17Å; Y234-R278 PolarHBondContact O-NE 2.73Å; Y234-R278 VanDerWaalsContact O-NE 3.09Å
235S98.1Very high96.9Very high14 Ų1448.9 Ų48.910%0.09823%0.234CC..  trans-83.3147.3-172-55.10000113.2I230 K231 R278I230-S235 PolarHBondContact O-OG 3.22Å; K231-S235 WeakPolarHBondContact CA-OG 3.27Å; K231-S235 WeakPolarHBondContact O-CB 3.37Å; K231-S235 PolarHBondContact O-N 3.43Å; K231-S235 PolarHBondContact O-OG 3.04Å; S235-R278 CarbonylContact C-O 3.41Å; S235-R278 WeakPolarHBondContact CA-O 3.41Å; S235-R278 WeakPolarHBondContact CB-O 3.3Å
236Y98.3Very high97.2Very high26 Ų2647 Ų4710%0.10223%0.234CC..BIsolated β-bridgetrans-155.4159-17860.9-83.3000110.6Y234 C238 E244 Y248 R278 F279Y234-Y236 WeakPolarHBondContact O-CD1 3.47Å; Y236-C238 HydrophobicContact CE2-CB 4.45Å; Y236-E244 PolarHBondContact OH-OE1 3.18Å; Y236-Y248 WeakPolarHBondContact OH-CE2 3.46Å; Y236-Y248 PolarHBondContact OH-OH 2.86Å; Y236-R278 HydrophobicContact CD1-CB 4.18Å; Y236-R278 HydrophobicContact CE1-CB 3.7Å; Y236-R278 PolarHBondContact N-O 2.91Å; Y236-F279 HydrophobicContact CE2-CB 4.19Å; Y236-F279 WeakPolarHBondContact O-CA 3.31Å
237V98.5Very high97.2Very high2 Ų250.2 Ų50.21%0.01225%0.248CC..  trans-87.5126.6175.1177.50000109.3P282 F286 F331 K332 L334 R337V237-P282 HydrophobicContact CG2-CB 3.75Å; V237-F286 HydrophobicContact CG1-CD2 4.46Å; V237-F286 HydrophobicContact CG1-CE2 3.69Å; V237-F286 HydrophobicContact CG1-CZ 4.29Å; V237-F286 HydrophobicContact CG2-CE2 4.29Å; V237-F331 HydrophobicContact CG2-CB 3.96Å; V237-K332 PolarHBondContact N-O 3.36Å; V237-L334 HydrophobicContact CG2-CB 3.96Å; V237-L334 HydrophobicContact CG2-CD1 3.78Å; V237-L334 HydrophobicContact CG2-CG 4.5Å; V237-R337 HydrophobicContact CG1-CB 3.52Å; V237-R337 HydrophobicContact CG1-CG 3.59Å
238C97.2Very high97.2Very high2 Ų250.3 Ų50.31%0.01425%0.248CC..  trans-89.3155.417678.20000111.3Y236 E244 F279 R337Y236-C238 HydrophobicContact CE2-CB 4.45Å; C238-E244 HydrophobicContact CB-CB 4.06Å; C238-E244 HydrophobicContact CB-CG 3.72Å; C238-F279 HydrophobicContact CB-CB 3.98Å; C238-R337 PolarHBondContact O-NH1 2.87Å
239P95.8Very high97.2Very high74 Ų7453 Ų5348%0.48127%0.265SS..SBendtrans-78.9-30176.729.6-33.3000113.3R340P239-R340 PolarHBondContact O-NH1 3.33Å; P239-R340 PolarHBondContact O-NH2 3.05Å
240D95.5Very high97.2Very high58 Ų5855 Ų5531%0.3128%0.284SS..  trans-155.8115-171.1-178.6-75.5000108.9P242 K243 E244D240-P242 VanDerWaalsContact OD1-CD 3.31Å; D240-P242 WeakPolarHBondContact OD1-CD 3.36Å; D240-K243 HydrophobicContact CB-CB 4.21Å; D240-K243 HydrophobicContact CB-CD 4.08Å; D240-K243 HydrophobicContact CB-CG 4.43Å; D240-K243 PolarHBondContact O-N 3.37Å; D240-K243 WeakPolarHBondContact OD1-CB 3.26Å; D240-K243 VanDerWaalsContact OD1-CG 3.26Å; D240-K243 WeakPolarHBondContact OD1-CG 3.31Å; D240-K243 PolarHBondContact OD1-N 3.11Å; D240-E244 PolarHBondContact O-N 3Å
241L95.5Very high97.2Very high22 Ų2258.9 Ų58.912%0.11530%0.302CS..Hα-helixtrans-60.2-53.7-174.7-90-174.9000113.4K243 E244 F245 F279 L280 E283 F290L241-K243 VanDerWaalsContact C-N 3.28Å; L241-K243 PolarHBondContact O-N 3.29Å; L241-E244 PolarHBondContact O-N 2.85Å; L241-F245 HydrophobicContact CD2-CE2 4.28Å; L241-F245 VanDerWaalsContact O-CD2 3.28Å; L241-F245 WeakPolarHBondContact O-CD2 3.31Å; L241-F245 PolarHBondContact O-N 2.85Å; L241-F279 HydrophobicContact CD2-CD2 3.61Å; L241-F279 HydrophobicContact CD2-CE2 3.8Å; L241-L280 HydrophobicContact CD2-CD2 4.02Å; L241-E283 HydrophobicContact CD1-CG 3.9Å; L241-E283 HydrophobicContact CD2-CB 4.5Å; L241-E283 HydrophobicContact CD2-CG 3.97Å; L241-E283 HydrophobicContact CG-CG 3.96Å; L241-F290 HydrophobicContact CD1-CE2 4.22Å; L241-F290 HydrophobicContact CD1-CZ 4.08Å
242P97.1Very high97Very high96 Ų9660.7 Ų60.762%0.62332%0.315SS*.Hα-helixtrans-56.1-40.7-179.5-27.734.6000113.6D240 E244 A246D240-P242 VanDerWaalsContact OD1-CD 3.31Å; D240-P242 WeakPolarHBondContact OD1-CD 3.36Å; P242-E244 VanDerWaalsContact C-N 3.33Å; P242-A246 PolarHBondContact O-N 2.94Å; P242-A246 VanDerWaalsContact O-N 3.09Å
243K97.4Very high96.9Very high139 Ų13964.5 Ų64.560%0.60433%0.333SS*.Hα-helixtrans-67.7-33.9176-72.2174.2-174.5167.70112.3D240 L241 K247D240-K243 HydrophobicContact CB-CB 4.21Å; D240-K243 HydrophobicContact CB-CD 4.08Å; D240-K243 HydrophobicContact CB-CG 4.43Å; D240-K243 PolarHBondContact O-N 3.37Å; D240-K243 WeakPolarHBondContact OD1-CB 3.26Å; D240-K243 VanDerWaalsContact OD1-CG 3.26Å; D240-K243 WeakPolarHBondContact OD1-CG 3.31Å; D240-K243 PolarHBondContact OD1-N 3.11Å; L241-K243 VanDerWaalsContact C-N 3.28Å; L241-K243 PolarHBondContact O-N 3.29Å; K243-K247 WeakPolarHBondContact O-CG 3.36Å; K243-K247 PolarHBondContact O-N 3.09Å
244E97.6Very high96.8Very high5 Ų561.6 Ų61.62%0.02333%0.325CS..Hα-helixtrans-69.4-42.9177.5-144.365.5-147.100111.3Y236 C238 D240 L241 P242 A246 K247 Y248 F279Y236-E244 PolarHBondContact OH-OE1 3.18Å; C238-E244 HydrophobicContact CB-CB 4.06Å; C238-E244 HydrophobicContact CB-CG 3.72Å; D240-E244 PolarHBondContact O-N 3Å; L241-E244 PolarHBondContact O-N 2.85Å; P242-E244 VanDerWaalsContact C-N 3.33Å; E244-A246 PolarHBondContact O-N 3.49Å; E244-K247 WeakPolarHBondContact O-CB 3.4Å; E244-K247 PolarHBondContact O-N 3.45Å; E244-K247 IonicContact OE1-NZ 3.01Å; E244-K247 PolarHBondContact OE1-NZ 2.66Å; E244-K247 IonicContact OE2-NZ 2.71Å; E244-K247 PolarHBondContact OE2-NZ 2.89Å; E244-Y248 HydrophobicContact CG-CE2 4.45Å; E244-Y248 WeakPolarHBondContact O-CD2 3.46Å; E244-Y248 PolarHBondContact O-N 3.49Å; E244-F279 HydrophobicContact CB-CD1 4.35Å; E244-F279 HydrophobicContact CB-CD2 4.34Å; E244-F279 HydrophobicContact CB-CE1 4.36Å; E244-F279 HydrophobicContact CB-CE2 4.35Å; E244-F279 HydrophobicContact CB-CG 4.34Å; E244-F279 HydrophobicContact CB-CZ 4.36Å; E244-F279 HydrophobicContact CG-CB 4.31Å; E244-F279 HydrophobicContact CG-CD1 3.69Å; E244-F279 HydrophobicContact CG-CD2 4.37Å; E244-F279 HydrophobicContact CG-CE1 4.03Å; E244-F279 HydrophobicContact CG-CG 3.87Å
245F97.8Very high96.8Very high67 Ų6762.2 Ų62.229%0.29433%0.327SS..Hα-helixtrans-56.1-50.3171.5-79.7-69.9000111.8L241 K247 Y248 D249 Y276 F279 L280L241-F245 HydrophobicContact CD2-CE2 4.28Å; L241-F245 VanDerWaalsContact O-CD2 3.28Å; L241-F245 WeakPolarHBondContact O-CD2 3.31Å; L241-F245 PolarHBondContact O-N 2.85Å; F245-K247 PolarHBondContact O-N 3.06Å; F245-K247 VanDerWaalsContact O-N 3.12Å; F245-Y248 PolarHBondContact O-N 3.35Å; F245-D249 PolarHBondContact O-N 2.83Å; F245-Y276 HydrophobicContact CD1-CD1 4.01Å; F245-Y276 HydrophobicContact CD1-CD2 4.5Å; F245-Y276 HydrophobicContact CD1-CE1 4.06Å; F245-Y276 HydrophobicContact CD1-CG 4.26Å; F245-Y276 HydrophobicContact CE1-CD1 4.09Å; F245-Y276 HydrophobicContact CE1-CD2 4.03Å; F245-Y276 HydrophobicContact CE1-CE1 4.47Å; F245-Y276 HydrophobicContact CE1-CE2 4.42Å; F245-Y276 AromaticContact CE1-CG 3.88Å; F245-Y276 HydrophobicContact CE1-CG 3.88Å; F245-F279 HydrophobicContact CD1-CE2 4.27Å; F245-F279 AromaticContact CD1-CZ 3.81Å; F245-F279 HydrophobicContact CD1-CZ 3.81Å; F245-F279 HydrophobicContact CD2-CE2 4.19Å; F245-F279 HydrophobicContact CD2-CZ 4.4Å; F245-F279 HydrophobicContact CE1-CE2 4.02Å; F245-F279 AromaticContact CE1-CZ 3.82Å; F245-F279 HydrophobicContact CE1-CZ 3.82Å; F245-F279 AromaticContact CE2-CE2 3.92Å; F245-F279 HydrophobicContact CE2-CE2 3.92Å; F245-F279 HydrophobicContact CE2-CZ 4.41Å; F245-F279 HydrophobicContact CG-CE2 4.36Å; F245-F279 HydrophobicContact CG-CZ 4.11Å; F245-F279 AromaticContact CZ-CE2 3.85Å; F245-F279 HydrophobicContact CZ-CE2 3.85Å; F245-F279 HydrophobicContact CZ-CZ 4.15Å; F245-L280 HydrophobicContact CE1-CD1 4.47Å; F245-L280 HydrophobicContact CE2-CD2 4.38Å; F245-L280 HydrophobicContact CZ-CD1 4.12Å; F245-L280 HydrophobicContact CZ-CD2 3.93Å; F245-L280 HydrophobicContact CZ-CG 4.3Å
246A97.9Very high96.7Very high52 Ų5264.3 Ų64.343%0.4334%0.336SS..Hα-helixtrans-57.5-32.5-17900000113.3P242 E244 S250P242-A246 PolarHBondContact O-N 2.94Å; P242-A246 VanDerWaalsContact O-N 3.09Å; E244-A246 PolarHBondContact O-N 3.49Å; A246-S250 VanDerWaalsContact O-CB 3.28Å; A246-S250 WeakPolarHBondContact O-CB 3.1Å; A246-S250 PolarHBondContact O-N 2.83Å; A246-S250 PolarHBondContact O-OG 3.2Å
247K97Very high96.5Very high69 Ų6966.8 Ų66.830%0.335%0.347SS..Hα-helixtrans-66.1-42.3175.1-72.5169.2-173.3164.80112.2K243 E244 F245 S250 E251 W255K243-K247 WeakPolarHBondContact O-CG 3.36Å; K243-K247 PolarHBondContact O-N 3.09Å; E244-K247 WeakPolarHBondContact O-CB 3.4Å; E244-K247 PolarHBondContact O-N 3.45Å; E244-K247 IonicContact OE1-NZ 3.01Å; E244-K247 PolarHBondContact OE1-NZ 2.66Å; E244-K247 IonicContact OE2-NZ 2.71Å; E244-K247 PolarHBondContact OE2-NZ 2.89Å; F245-K247 PolarHBondContact O-N 3.06Å; F245-K247 VanDerWaalsContact O-N 3.12Å; K247-S250 PolarHBondContact O-OG 3.05Å; K247-E251 PolarHBondContact O-N 3.35Å; K247-W255 HydrophobicContact CD-CH2 4.45Å; K247-W255 HydrophobicContact CD-CZ2 4.04Å
248Y97.2Very high96.3Very high2 Ų270.7 Ų70.71%0.00837%0.373CS..Hα-helixtrans-72.1-37.8-179.1-81.8-116.3000111.3Y236 E244 F245 P252 W255 I256 G275 Y276 R278 F279Y236-Y248 WeakPolarHBondContact OH-CE2 3.46Å; Y236-Y248 PolarHBondContact OH-OH 2.86Å; E244-Y248 HydrophobicContact CG-CE2 4.45Å; E244-Y248 WeakPolarHBondContact O-CD2 3.46Å; E244-Y248 PolarHBondContact O-N 3.49Å; F245-Y248 PolarHBondContact O-N 3.35Å; Y248-P252 VanDerWaalsContact O-CA 3.27Å; Y248-P252 WeakPolarHBondContact O-CA 3.44Å; Y248-P252 WeakPolarHBondContact O-CD 3.24Å; Y248-W255 HydrophobicContact CD1-CB 3.75Å; Y248-W255 HydrophobicContact CD2-CB 3.78Å; Y248-W255 HydrophobicContact CD2-CG 4.09Å; Y248-W255 HydrophobicContact CE1-CB 3.84Å; Y248-W255 HydrophobicContact CE2-CB 3.86Å; Y248-W255 HydrophobicContact CE2-CD2 4.31Å; Y248-W255 HydrophobicContact CE2-CE3 4.13Å; Y248-W255 HydrophobicContact CE2-CG 4.21Å; Y248-W255 HydrophobicContact CG-CB 3.73Å; Y248-W255 HydrophobicContact CG-CG 4.43Å; Y248-I256 HydrophobicContact CD1-CG1 4.31Å; Y248-G275 VanDerWaalsContact CE1-O 3.24Å; Y248-G275 WeakPolarHBondContact CE1-O 3.26Å; Y248-Y276 AromaticContact CD1-CD1 3.94Å; Y248-Y276 HydrophobicContact CD1-CD1 3.94Å; Y248-Y276 HydrophobicContact CD1-CE1 4.09Å; Y248-Y276 HydrophobicContact CG-CD1 4.08Å; Y248-Y276 HydrophobicContact CG-CE1 4.03Å; Y248-R278 WeakPolarHBondContact OH-CD 3.19Å; Y248-R278 PolarHBondContact OH-NH1 2.97Å; Y248-F279 HydrophobicContact CD2-CD1 4.44Å; Y248-F279 AromaticContact CD2-CE1 3.8Å; Y248-F279 HydrophobicContact CD2-CE1 3.8Å; Y248-F279 HydrophobicContact CE1-CE1 4.34Å; Y248-F279 AromaticContact CE2-CD1 3.78Å; Y248-F279 HydrophobicContact CE2-CD1 3.78Å; Y248-F279 AromaticContact CE2-CE1 3.58Å; Y248-F279 HydrophobicContact CE2-CE1 3.58Å; Y248-F279 HydrophobicContact CG-CE1 4.27Å; Y248-F279 AromaticContact CZ-CD1 3.93Å; Y248-F279 AromaticContact CZ-CE1 3.86Å
249D96.8Very high96.3Very high105 Ų10570.6 Ų70.656%0.56137%0.372SS*.Hα-helixtrans-67.9-38.2176.3-67.4-34.1000112.1F245 Y276F245-D249 PolarHBondContact O-N 2.83Å; D249-Y276 PolarHBondContact OD1-OH 2.9Å
250S97.2Very high96.3Very high86 Ų8671.3 Ų71.360%0.60138%0.375SS*.Hα-helixtrans-82.5-33.4-177.956.50000114.2A246 K247A246-S250 VanDerWaalsContact O-CB 3.28Å; A246-S250 WeakPolarHBondContact O-CB 3.1Å; A246-S250 PolarHBondContact O-N 2.83Å; A246-S250 PolarHBondContact O-OG 3.2Å; K247-S250 PolarHBondContact O-OG 3.05Å
251E96Very high96.2Very high82 Ų8269.1 Ų69.138%0.38336%0.364SS..  trans-131.159.1-178.2-61.6-177.9-80.500111.9K247 E253 K254 W255K247-E251 PolarHBondContact O-N 3.35Å; E251-E253 VanDerWaalsContact C-N 3.33Å; E251-E253 PolarHBondContact O-N 3.27Å; E251-K254 HydrophobicContact CB-CB 4.16Å; E251-K254 HydrophobicContact CB-CD 4.3Å; E251-K254 VanDerWaalsContact CD-NZ 3.28Å; E251-K254 WeakPolarHBondContact O-CB 3.31Å; E251-K254 PolarHBondContact O-N 3.36Å; E251-K254 IonicContact OE1-NZ 3.43Å; E251-K254 PolarHBondContact OE1-NZ 3.3Å; E251-K254 WeakPolarHBondContact OE2-CD 3.46Å; E251-K254 IonicContact OE2-NZ 3.62Å; E251-K254 PolarHBondContact OE2-NZ 2.86Å; E251-W255 VanDerWaalsContact O-CD1 3.25Å; E251-W255 PolarHBondContact O-N 3.44Å
252P95.2Very high95.9Very high53 Ų5372.7 Ų72.734%0.34439%0.391SS..Hα-helixtrans-58.8-41.1-172.921.6-32.8000113Y248 K254 W255 I256Y248-P252 VanDerWaalsContact O-CA 3.27Å; Y248-P252 WeakPolarHBondContact O-CA 3.44Å; Y248-P252 WeakPolarHBondContact O-CD 3.24Å; P252-K254 PolarHBondContact O-N 3.12Å; P252-W255 PolarHBondContact O-N 3.36Å; P252-W255 VanDerWaalsContact O-N 3.16Å; P252-I256 HydrophobicContact CB-CD1 3.87Å; P252-I256 HydrophobicContact CB-CG1 4.41Å; P252-I256 WeakPolarHBondContact O-CB 3.45Å; P252-I256 PolarHBondContact O-N 2.91Å
253E94.6Very high95.5Very high185 Ų18576 Ų7686%0.86440%0.395SS*.Hα-helixtrans-52.6-30.9177.5-50-85.5167.800113.1E251E251-E253 VanDerWaalsContact C-N 3.33Å; E251-E253 PolarHBondContact O-N 3.27Å
254K95.5Very high94.9Very high105 Ų10571.5 Ų71.546%0.45738%0.382SS..Hα-helixtrans-90.8-34.6-175.6-178.6-178.7176.8-173.90112.1E251 P252 K257E251-K254 HydrophobicContact CB-CB 4.16Å; E251-K254 HydrophobicContact CB-CD 4.3Å; E251-K254 VanDerWaalsContact CD-NZ 3.28Å; E251-K254 WeakPolarHBondContact O-CB 3.31Å; E251-K254 PolarHBondContact O-N 3.36Å; E251-K254 IonicContact OE1-NZ 3.43Å; E251-K254 PolarHBondContact OE1-NZ 3.3Å; E251-K254 WeakPolarHBondContact OE2-CD 3.46Å; E251-K254 IonicContact OE2-NZ 3.62Å; E251-K254 PolarHBondContact OE2-NZ 2.86Å; P252-K254 PolarHBondContact O-N 3.12Å; K254-K257 VanDerWaalsContact O-CE 3.28Å; K254-K257 WeakPolarHBondContact O-CE 3.14Å; K254-K257 PolarHBondContact O-NZ 3.26Å
255W96Very high94.3Very high62 Ų6276.8 Ų76.824%0.23543%0.426CS..Hα-helixtrans-103.3-32.3-169.6-66.7108.2000114K247 Y248 E251 P252 R278K247-W255 HydrophobicContact CD-CH2 4.45Å; K247-W255 HydrophobicContact CD-CZ2 4.04Å; Y248-W255 HydrophobicContact CD1-CB 3.75Å; Y248-W255 HydrophobicContact CD2-CB 3.78Å; Y248-W255 HydrophobicContact CD2-CG 4.09Å; Y248-W255 HydrophobicContact CE1-CB 3.84Å; Y248-W255 HydrophobicContact CE2-CB 3.86Å; Y248-W255 HydrophobicContact CE2-CD2 4.31Å; Y248-W255 HydrophobicContact CE2-CE3 4.13Å; Y248-W255 HydrophobicContact CE2-CG 4.21Å; Y248-W255 HydrophobicContact CG-CB 3.73Å; Y248-W255 HydrophobicContact CG-CG 4.43Å; E251-W255 VanDerWaalsContact O-CD1 3.25Å; E251-W255 PolarHBondContact O-N 3.44Å; P252-W255 PolarHBondContact O-N 3.36Å; P252-W255 VanDerWaalsContact O-N 3.16Å; W255-R278 PolarHBondContact O-NH1 3.06Å
256I96Very high93.8Very high59 Ų5980.4 Ų80.430%0.30344%0.442SS..  trans-74134.3170.4-58.6178.9000108.1Y248 P252 D273 V274Y248-I256 HydrophobicContact CD1-CG1 4.31Å; P252-I256 HydrophobicContact CB-CD1 3.87Å; P252-I256 HydrophobicContact CB-CG1 4.41Å; P252-I256 WeakPolarHBondContact O-CB 3.45Å; P252-I256 PolarHBondContact O-N 2.91Å; I256-D273 HydrophobicContact CG2-CB 3.85Å; I256-V274 WeakPolarHBondContact CA-O 3.19Å
257K94.7Very high93.4Very high77 Ų7780.6 Ų80.634%0.33543%0.431SS..EExtended strand (participates in β ladder)trans-123.3131-177.8-63.1-64.3169.3-155.60110.5Y234 K254 H259 V274Y234-K257 HydrophobicContact CD1-CB 4.18Å; Y234-K257 HydrophobicContact CE1-CB 4.1Å; K254-K257 VanDerWaalsContact O-CE 3.28Å; K254-K257 WeakPolarHBondContact O-CE 3.14Å; K254-K257 PolarHBondContact O-NZ 3.26Å; K257-H259 PolarHBondContact O-N 3.26Å; K257-V274 PolarHBondContact N-O 3.42Å; K257-V274 WeakPolarHBondContact O-CA 3.48Å; K257-V274 VanDerWaalsContact O-CB 3.22Å; K257-V274 WeakPolarHBondContact O-CB 3.35Å; K257-V274 WeakPolarHBondContact O-CG2 3.43Å; K257-V274 PolarHBondContact O-N 2.75Å
258P95.2Very high93.2Very high84 Ų8482 Ų8255%0.54545%0.447SS..EExtended strand (participates in β ladder)trans-71.6133.1169.729.4-32.9000109.6
259H96.2Very high93Very high1 Ų185.5 Ų85.51%0.00547%0.473CS..EExtended strand (participates in β ladder)trans-111.2113.4167.9177.663.9000109.4Q229 Y234 K257 S271 V272 V274Q229-H259 PolarHBondContact OE1-NE2 3.4Å; Y234-H259 HydrophobicContact CE2-CB 4.02Å; Y234-H259 AromaticContact CE2-CG 3.86Å; Y234-H259 AromaticContact CE2-ND1 3.4Å; Y234-H259 WeakPolarHBondContact CE2-ND1 3.31Å; Y234-H259 AromaticContact CZ-ND1 3.62Å; Y234-H259 PolarHBondContact OH-ND1 3.45Å; K257-H259 PolarHBondContact O-N 3.26Å; H259-S271 WeakPolarHBondContact O-CA 3.14Å; H259-V272 PolarHBondContact N-O 2.85Å; H259-V272 PolarHBondContact O-N 3.06Å; H259-V274 HydrophobicContact CB-CG2 3.48Å; H259-V274 VanDerWaalsContact CB-CG2 3.48Å
260V95.5Very high92.9Very high89 Ų8982 Ų8254%0.53945%0.453SS..EExtended strand (participates in β ladder)trans-85.7116.5177.2-177.60000109.1
261V93.5Very high92.8Very high11 Ų1180.4 Ų80.47%0.06744%0.441CS..EExtended strand (participates in β ladder)trans-83.9119.6171.1-176.20000108.1V226 S269 F270 V272V226-V261 HydrophobicContact CG1-CG2 4.29Å; V226-V261 HydrophobicContact CG2-CG1 4.23Å; V226-V261 HydrophobicContact CG2-CG2 3.71Å; V261-S269 VanDerWaalsContact O-CA 3.27Å; V261-S269 WeakPolarHBondContact O-CA 3.08Å; V261-F270 HydrophobicContact CB-CD1 4.06Å; V261-F270 HydrophobicContact CB-CD2 4.29Å; V261-F270 HydrophobicContact CB-CE1 3.67Å; V261-F270 HydrophobicContact CB-CE2 3.92Å; V261-F270 HydrophobicContact CB-CG 4.35Å; V261-F270 HydrophobicContact CB-CZ 3.6Å; V261-F270 HydrophobicContact CG1-CD1 4.37Å; V261-F270 HydrophobicContact CG1-CE1 3.6Å; V261-F270 HydrophobicContact CG1-CE2 4.46Å; V261-F270 HydrophobicContact CG1-CZ 3.66Å; V261-F270 HydrophobicContact CG2-CD2 4.23Å; V261-F270 HydrophobicContact CG2-CE1 4.25Å; V261-F270 HydrophobicContact CG2-CE2 3.63Å; V261-F270 HydrophobicContact CG2-CZ 3.64Å; V261-F270 PolarHBondContact N-O 2.8Å; V261-F270 PolarHBondContact O-N 3.21Å; V261-V272 HydrophobicContact CG2-CG2 4.37Å
262S90.6Very high92.8Very high98 Ų9876.5 Ų76.569%0.68542%0.423SS*.PPolyproline II helixtrans-61.9149.7-178-65.40000112.2S264S262-S264 PolarHBondContact O-N 2.98Å
263K87.6Confident92.8Very high165 Ų16577.8 Ų77.872%0.71743%0.427SS*.PPolyproline II helixtrans-54.4135.3173.1178.9179178-177.60110.4
264S85.1Confident93Very high45 Ų4569 Ų6932%0.31539%0.386SS..  trans-114.4177.6170.668.80000110.6S262 K266 Y267S262-S264 PolarHBondContact O-N 2.98Å; S264-K266 PolarHBondContact O-N 3Å; S264-K266 PolarHBondContact OG-N 2.64Å; S264-Y267 PolarHBondContact N-O 2.8Å; S264-Y267 PolarHBondContact OG-N 2.97Å
265A84.6Confident93.1Very high116 Ų11664 Ų6496%0.95937%0.365SS*.SBendtrans-60.9-31.1174.600000112.7
266K87.7Confident93.2Very high143 Ų14365 Ų6562%0.62237%0.369SS*.SBendtrans-97.7-28-176.9-69.8-173-179.3-176.20114.1E221 S264E221-K266 IonicContact OE1-NZ 3.5Å; E221-K266 PolarHBondContact OE1-NZ 2.94Å; E221-K266 IonicContact OE2-NZ 2.7Å; E221-K266 PolarHBondContact OE2-NZ 2.89Å; S264-K266 PolarHBondContact O-N 3Å; S264-K266 PolarHBondContact OG-N 2.64Å
267Y89.5Confident93.2Very high55 Ų5562.3 Ų62.322%0.21636%0.355CS..SBendtrans-130.4137.9-169.2-55.6-74.8000111.9P219 L222 S264P219-Y267 HydrophobicContact CB-CD1 4.07Å; P219-Y267 HydrophobicContact CB-CE1 3.61Å; P219-Y267 HydrophobicContact CB-CE2 4.12Å; P219-Y267 HydrophobicContact CG-CD1 3.62Å; P219-Y267 HydrophobicContact CG-CD2 4.4Å; P219-Y267 HydrophobicContact CG-CE1 3.69Å; P219-Y267 HydrophobicContact CG-CE2 4.44Å; P219-Y267 HydrophobicContact CG-CG 3.99Å; L222-Y267 HydrophobicContact CD1-CD2 3.61Å; L222-Y267 HydrophobicContact CD1-CE2 4.17Å; L222-Y267 HydrophobicContact CD1-CG 4.14Å; L222-Y267 HydrophobicContact CD2-CD2 4.45Å; L222-Y267 HydrophobicContact CG-CD2 4Å; L222-Y267 HydrophobicContact CG-CE2 4.06Å; S264-Y267 PolarHBondContact N-O 2.8Å; S264-Y267 PolarHBondContact OG-N 2.97Å
268P92.4Very high93.4Very high98 Ų9860.2 Ų60.264%0.63635%0.345SS*.  trans-64.8166.6169.131.4-35.2000110.6
269S93.9Very high93.5Very high77 Ų7756.2 Ų56.254%0.53832%0.319SS..  trans-64.4138.7171.153.80000110.7V261V261-S269 VanDerWaalsContact O-CA 3.27Å; V261-S269 WeakPolarHBondContact O-CA 3.08Å
270F94.1Very high93.6Very high32 Ų3257 Ų5714%0.1432%0.323CS..EExtended strand (participates in β ladder)trans-138.4161.1174.762.7-83.6000110.2I218 P219 L222 V226 V261 V272I218-F270 HydrophobicContact CB-CE2 4.5Å; I218-F270 HydrophobicContact CG1-CE2 4.23Å; P219-F270 HydrophobicContact CG-CE1 4.43Å; L222-F270 HydrophobicContact CD1-CE1 3.89Å; L222-F270 HydrophobicContact CD1-CZ 4.19Å; V226-F270 HydrophobicContact CG2-CZ 4.35Å; V261-F270 HydrophobicContact CB-CD1 4.06Å; V261-F270 HydrophobicContact CB-CD2 4.29Å; V261-F270 HydrophobicContact CB-CE1 3.67Å; V261-F270 HydrophobicContact CB-CE2 3.92Å; V261-F270 HydrophobicContact CB-CG 4.35Å; V261-F270 HydrophobicContact CB-CZ 3.6Å; V261-F270 HydrophobicContact CG1-CD1 4.37Å; V261-F270 HydrophobicContact CG1-CE1 3.6Å; V261-F270 HydrophobicContact CG1-CE2 4.46Å; V261-F270 HydrophobicContact CG1-CZ 3.66Å; V261-F270 HydrophobicContact CG2-CD2 4.23Å; V261-F270 HydrophobicContact CG2-CE1 4.25Å; V261-F270 HydrophobicContact CG2-CE2 3.63Å; V261-F270 HydrophobicContact CG2-CZ 3.64Å; V261-F270 PolarHBondContact N-O 2.8Å; V261-F270 PolarHBondContact O-N 3.21Å; F270-V272 HydrophobicContact CD2-CG2 3.75Å; F270-V272 HydrophobicContact CE2-CG2 3.57Å
271S95Very high93.7Very high51 Ų5152.8 Ų52.836%0.35730%0.298SS..EExtended strand (participates in β ladder)trans-113.4144.3176.3-170.60000109.9N217 H259N217-S271 PolarHBondContact ND2-O 2.99Å; H259-S271 WeakPolarHBondContact O-CA 3.14Å
272V95.8Very high93.9Very high0 Ų052.2 Ų52.20%029%0.294CS..EExtended strand (participates in β ladder)trans-124.7134.2176.8-174.70000107.1L211 E215 I218 H259 V261 F270L211-V272 HydrophobicContact CD2-CG1 4.12Å; E215-V272 HydrophobicContact CB-CG1 3.96Å; E215-V272 HydrophobicContact CG-CG1 3.49Å; E215-V272 VanDerWaalsContact CG-CG1 3.49Å; I218-V272 HydrophobicContact CD1-CG1 3.84Å; I218-V272 HydrophobicContact CD1-CG2 4.07Å; I218-V272 HydrophobicContact CG1-CG1 4.33Å; I218-V272 HydrophobicContact CG1-CG2 3.81Å; H259-V272 PolarHBondContact N-O 2.85Å; H259-V272 PolarHBondContact O-N 3.06Å; V261-V272 HydrophobicContact CG2-CG2 4.37Å; F270-V272 HydrophobicContact CD2-CG2 3.75Å; F270-V272 HydrophobicContact CE2-CG2 3.57Å
273D96.4Very high94.3Very high80 Ų8047.6 Ų47.643%0.42826%0.262SS..EExtended strand (participates in β ladder)trans-74.1141172.6-75.5-22.5000109.4R214 E215 I256R214-D273 PolarHBondContact NH2-O 2.84Å; E215-D273 PolarHBondContact OE2-N 3.01Å; I256-D273 HydrophobicContact CG2-CB 3.85Å
274V97.4Very high94.8Very high0 Ų039.8 Ų39.80%023%0.228CC..EExtended strand (participates in β ladder)trans-118.9110.7-178.9-171.70000109.6I230 Y234 I256 K257 H259 E277 R278I230-V274 HydrophobicContact CD1-CG2 3.8Å; I230-V274 HydrophobicContact CG1-CG1 4.44Å; I230-V274 HydrophobicContact CG1-CG2 3.92Å; I230-V274 HydrophobicContact CG2-CG1 3.67Å; Y234-V274 HydrophobicContact CD2-CG1 4.48Å; Y234-V274 HydrophobicContact CG-CG1 4.17Å; I256-V274 WeakPolarHBondContact CA-O 3.19Å; K257-V274 PolarHBondContact N-O 3.42Å; K257-V274 WeakPolarHBondContact O-CA 3.48Å; K257-V274 VanDerWaalsContact O-CB 3.22Å; K257-V274 WeakPolarHBondContact O-CB 3.35Å; K257-V274 WeakPolarHBondContact O-CG2 3.43Å; K257-V274 PolarHBondContact O-N 2.75Å; H259-V274 HydrophobicContact CB-CG2 3.48Å; H259-V274 VanDerWaalsContact CB-CG2 3.48Å; V274-E277 VanDerWaalsContact CA-OE1 3.23Å; V274-E277 WeakPolarHBondContact CA-OE1 3.36Å; V274-E277 HydrophobicContact CG1-CG 4.29Å; V274-R278 HydrophobicContact CG1-CG 3.53Å
275G97.3Very high95.4Very high2 Ų237.8 Ų37.82%0.02121%0.214CC..  trans-119.5-119.7-166.500000114.1Y248 E277 R278Y248-G275 VanDerWaalsContact CE1-O 3.24Å; Y248-G275 WeakPolarHBondContact CE1-O 3.26Å; G275-E277 VanDerWaalsContact C-N 3.3Å; G275-E277 WeakPolarHBondContact CA-OE2 3.3Å; G275-E277 PolarHBondContact N-OE1 3.26Å; G275-E277 PolarHBondContact N-OE2 3.27Å; G275-E277 PolarHBondContact O-N 2.85Å; G275-R278 WeakPolarHBondContact O-CB 3.4Å; G275-R278 WeakPolarHBondContact O-CG 3.29Å; G275-R278 PolarHBondContact O-N 3.46Å
276Y97.8Very high96Very high83 Ų8332.9 Ų32.933%0.32517%0.171SC..THydrogen-bonded Turntrans-64.3-29.8-174.2-55.1-37.4000114.1F245 Y248 D249 R278 F279 L280F245-Y276 HydrophobicContact CD1-CD1 4.01Å; F245-Y276 HydrophobicContact CD1-CD2 4.5Å; F245-Y276 HydrophobicContact CD1-CE1 4.06Å; F245-Y276 HydrophobicContact CD1-CG 4.26Å; F245-Y276 HydrophobicContact CE1-CD1 4.09Å; F245-Y276 HydrophobicContact CE1-CD2 4.03Å; F245-Y276 HydrophobicContact CE1-CE1 4.47Å; F245-Y276 HydrophobicContact CE1-CE2 4.42Å; F245-Y276 AromaticContact CE1-CG 3.88Å; F245-Y276 HydrophobicContact CE1-CG 3.88Å; Y248-Y276 AromaticContact CD1-CD1 3.94Å; Y248-Y276 HydrophobicContact CD1-CD1 3.94Å; Y248-Y276 HydrophobicContact CD1-CE1 4.09Å; Y248-Y276 HydrophobicContact CG-CD1 4.08Å; Y248-Y276 HydrophobicContact CG-CE1 4.03Å; D249-Y276 PolarHBondContact OD1-OH 2.9Å; Y276-R278 PolarHBondContact O-N 2.86Å; Y276-F279 AromaticContact CD1-CE1 3.94Å; Y276-F279 HydrophobicContact CD1-CE1 3.94Å; Y276-F279 AromaticContact CD1-CZ 3.81Å; Y276-F279 HydrophobicContact CD1-CZ 3.81Å; Y276-F279 HydrophobicContact CG-CZ 4.23Å; Y276-F279 PolarHBondContact O-N 3.42Å; Y276-L280 WeakPolarHBondContact O-CB 3.3Å; Y276-L280 WeakPolarHBondContact O-CG 3.45Å; Y276-L280 PolarHBondContact O-N 2.65Å
277E97.5Very high96.4Very high2 Ų227.9 Ų27.91%0.00915%0.15CC..Hα-helixtrans-55.2-21.7176.963-86-161.600113I207 L210 L211 R214 I230 V274 G275 F279 G281I207-E277 HydrophobicContact CG1-CB 4.32Å; I207-E277 HydrophobicContact CG2-CB 4.22Å; I207-E277 HydrophobicContact CG2-CG 4.3Å; L210-E277 HydrophobicContact CB-CB 4.18Å; L210-E277 HydrophobicContact CD1-CB 3.74Å; L211-E277 HydrophobicContact CD2-CG 4.37Å; L211-E277 WeakPolarHBondContact CD2-OE1 3.06Å; R214-E277 IonicContact CZ-OE1 3.75Å; R214-E277 IonicContact CZ-OE2 3.63Å; R214-E277 IonicContact NH1-OE1 3.46Å; R214-E277 IonicContact NH1-OE2 2.74Å; R214-E277 PolarHBondContact NH1-OE2 2.93Å; R214-E277 IonicContact NH2-OE1 2.88Å; R214-E277 PolarHBondContact NH2-OE1 3.28Å; R214-E277 IonicContact NH2-OE2 3.21Å; R214-E277 PolarHBondContact NH2-OE2 3.24Å; I230-E277 HydrophobicContact CG2-CG 4.06Å; V274-E277 VanDerWaalsContact CA-OE1 3.23Å; V274-E277 WeakPolarHBondContact CA-OE1 3.36Å; V274-E277 HydrophobicContact CG1-CG 4.29Å; G275-E277 VanDerWaalsContact C-N 3.3Å; G275-E277 WeakPolarHBondContact CA-OE2 3.3Å; G275-E277 PolarHBondContact N-OE1 3.26Å; G275-E277 PolarHBondContact N-OE2 3.27Å; G275-E277 PolarHBondContact O-N 2.85Å; E277-F279 VanDerWaalsContact C-N 3.34Å; E277-F279 PolarHBondContact O-N 2.7Å; E277-G281 PolarHBondContact O-N 3.15Å
278R98Very high96.8Very high32 Ų3225.3 Ų25.312%0.12114%0.14CC..Hα-helixtrans-60.9-40.2175-62.7178.959.5-155.4-4.8112.8Y234 S235 Y236 Y248 W255 V274 G275 Y276Y234-R278 PolarHBondContact O-NE 2.73Å; Y234-R278 VanDerWaalsContact O-NE 3.09Å; S235-R278 CarbonylContact C-O 3.41Å; S235-R278 WeakPolarHBondContact CA-O 3.41Å; S235-R278 WeakPolarHBondContact CB-O 3.3Å; Y236-R278 HydrophobicContact CD1-CB 4.18Å; Y236-R278 HydrophobicContact CE1-CB 3.7Å; Y236-R278 PolarHBondContact N-O 2.91Å; Y248-R278 WeakPolarHBondContact OH-CD 3.19Å; Y248-R278 PolarHBondContact OH-NH1 2.97Å; W255-R278 PolarHBondContact O-NH1 3.06Å; V274-R278 HydrophobicContact CG1-CG 3.53Å; G275-R278 WeakPolarHBondContact O-CB 3.4Å; G275-R278 WeakPolarHBondContact O-CG 3.29Å; G275-R278 PolarHBondContact O-N 3.46Å; Y276-R278 PolarHBondContact O-N 2.86Å
279F98.1Very high96.9Very high0 Ų024.9 Ų24.90%013%0.129CC..Hα-helixtrans-104.9-29178.160.1-98000112.5Y236 C238 L241 E244 F245 Y248 Y276 E277 E283Y236-F279 HydrophobicContact CE2-CB 4.19Å; Y236-F279 WeakPolarHBondContact O-CA 3.31Å; C238-F279 HydrophobicContact CB-CB 3.98Å; L241-F279 HydrophobicContact CD2-CD2 3.61Å; L241-F279 HydrophobicContact CD2-CE2 3.8Å; E244-F279 HydrophobicContact CB-CD1 4.35Å; E244-F279 HydrophobicContact CB-CD2 4.34Å; E244-F279 HydrophobicContact CB-CE1 4.36Å; E244-F279 HydrophobicContact CB-CE2 4.35Å; E244-F279 HydrophobicContact CB-CG 4.34Å; E244-F279 HydrophobicContact CB-CZ 4.36Å; E244-F279 HydrophobicContact CG-CB 4.31Å; E244-F279 HydrophobicContact CG-CD1 3.69Å; E244-F279 HydrophobicContact CG-CD2 4.37Å; E244-F279 HydrophobicContact CG-CE1 4.03Å; E244-F279 HydrophobicContact CG-CG 3.87Å; F245-F279 HydrophobicContact CD1-CE2 4.27Å; F245-F279 AromaticContact CD1-CZ 3.81Å; F245-F279 HydrophobicContact CD1-CZ 3.81Å; F245-F279 HydrophobicContact CD2-CE2 4.19Å; F245-F279 HydrophobicContact CD2-CZ 4.4Å; F245-F279 HydrophobicContact CE1-CE2 4.02Å; F245-F279 AromaticContact CE1-CZ 3.82Å; F245-F279 HydrophobicContact CE1-CZ 3.82Å; F245-F279 AromaticContact CE2-CE2 3.92Å; F245-F279 HydrophobicContact CE2-CE2 3.92Å; F245-F279 HydrophobicContact CE2-CZ 4.41Å; F245-F279 HydrophobicContact CG-CE2 4.36Å; F245-F279 HydrophobicContact CG-CZ 4.11Å; F245-F279 AromaticContact CZ-CE2 3.85Å; F245-F279 HydrophobicContact CZ-CE2 3.85Å; F245-F279 HydrophobicContact CZ-CZ 4.15Å; Y248-F279 HydrophobicContact CD2-CD1 4.44Å; Y248-F279 AromaticContact CD2-CE1 3.8Å; Y248-F279 HydrophobicContact CD2-CE1 3.8Å; Y248-F279 HydrophobicContact CE1-CE1 4.34Å; Y248-F279 AromaticContact CE2-CD1 3.78Å; Y248-F279 HydrophobicContact CE2-CD1 3.78Å; Y248-F279 AromaticContact CE2-CE1 3.58Å; Y248-F279 HydrophobicContact CE2-CE1 3.58Å; Y248-F279 HydrophobicContact CG-CE1 4.27Å; Y248-F279 AromaticContact CZ-CD1 3.93Å; Y248-F279 AromaticContact CZ-CE1 3.86Å; Y276-F279 AromaticContact CD1-CE1 3.94Å; Y276-F279 HydrophobicContact CD1-CE1 3.94Å; Y276-F279 AromaticContact CD1-CZ 3.81Å; Y276-F279 HydrophobicContact CD1-CZ 3.81Å; Y276-F279 HydrophobicContact CG-CZ 4.23Å; Y276-F279 PolarHBondContact O-N 3.42Å; E277-F279 VanDerWaalsContact C-N 3.34Å; E277-F279 PolarHBondContact O-N 2.7Å; F279-E283 WeakPolarHBondContact O-CB 3.35Å; F279-E283 PolarHBondContact O-N 3.4Å
280L98.1Very high97Very high18 Ų1825.4 Ų25.49%0.09412%0.122CC..Hα-helixtrans-67-37.5176.7-72.6177000112.6F206 L210 L241 F245 Y276 E283 F290F206-L280 HydrophobicContact CE1-CB 4.01Å; F206-L280 WeakPolarHBondContact CE1-O 3.32Å; L210-L280 HydrophobicContact CD1-CB 3.92Å; L210-L280 HydrophobicContact CD1-CD1 4.05Å; L210-L280 HydrophobicContact CD2-CD1 4.5Å; L241-L280 HydrophobicContact CD2-CD2 4.02Å; F245-L280 HydrophobicContact CE1-CD1 4.47Å; F245-L280 HydrophobicContact CE2-CD2 4.38Å; F245-L280 HydrophobicContact CZ-CD1 4.12Å; F245-L280 HydrophobicContact CZ-CD2 3.93Å; F245-L280 HydrophobicContact CZ-CG 4.3Å; Y276-L280 WeakPolarHBondContact O-CB 3.3Å; Y276-L280 WeakPolarHBondContact O-CG 3.45Å; Y276-L280 PolarHBondContact O-N 2.65Å; L280-E283 PolarHBondContact O-N 3.2Å; L280-E283 VanDerWaalsContact O-N 3.17Å; L280-F290 HydrophobicContact CD2-CE2 4.17Å
281G97.8Very high97Very high0 Ų026.4 Ų26.40%013%0.13CC..Hα-helixtrans-52.8-59.8179.800000112.5E277 E283 I284E277-G281 PolarHBondContact O-N 3.15Å; G281-E283 VanDerWaalsContact C-N 3.3Å; G281-E283 PolarHBondContact O-N 2.79Å; G281-I284 WeakPolarHBondContact O-CG1 3.36Å
282P98Very high96.9Very high0 Ų025.7 Ų25.70%012%0.123CC..Hα-helixtrans-71.9-17.5177.8-22.236.2000114.9V237 I284 F285 F331V237-P282 HydrophobicContact CG2-CB 3.75Å; P282-I284 PolarHBondContact O-N 2.87Å; P282-F285 PolarHBondContact O-N 3.41Å; P282-F331 HydrophobicContact CB-CB 4.44Å; P282-F331 HydrophobicContact CB-CD1 4.19Å; P282-F331 HydrophobicContact CB-CD2 3.99Å; P282-F331 HydrophobicContact CB-CE1 4.48Å; P282-F331 HydrophobicContact CB-CE2 4.29Å; P282-F331 HydrophobicContact CB-CG 3.94Å; P282-F331 HydrophobicContact CG-CB 4.48Å; P282-F331 HydrophobicContact CG-CD1 3.52Å; P282-F331 HydrophobicContact CG-CD2 4.18Å; P282-F331 HydrophobicContact CG-CE1 3.67Å; P282-F331 HydrophobicContact CG-CE2 4.31Å; P282-F331 HydrophobicContact CG-CG 3.79Å; P282-F331 HydrophobicContact CG-CZ 4.07Å
283E98.2Very high96.7Very high1 Ų131 Ų311%0.00516%0.157CC..Hα-helixtrans-66.8-20.8-178-168.769.1-163.700112.2L241 F279 L280 G281 F285 F286 Q287 F290 R337L241-E283 HydrophobicContact CD1-CG 3.9Å; L241-E283 HydrophobicContact CD2-CB 4.5Å; L241-E283 HydrophobicContact CD2-CG 3.97Å; L241-E283 HydrophobicContact CG-CG 3.96Å; F279-E283 WeakPolarHBondContact O-CB 3.35Å; F279-E283 PolarHBondContact O-N 3.4Å; L280-E283 PolarHBondContact O-N 3.2Å; L280-E283 VanDerWaalsContact O-N 3.17Å; G281-E283 VanDerWaalsContact C-N 3.3Å; G281-E283 PolarHBondContact O-N 2.79Å; E283-F285 PolarHBondContact O-N 3.01Å; E283-F286 CarbonylContact O-C 3.57Å; E283-F286 WeakPolarHBondContact O-CA 3.33Å; E283-F286 PolarHBondContact O-N 2.74Å; E283-Q287 PolarHBondContact O-N 2.96Å; E283-Q287 PolarHBondContact OE1-NE2 3.48Å; E283-Q287 PolarHBondContact OE1-OE1 3.14Å; E283-F290 HydrophobicContact CG-CE2 4.43Å; E283-R337 IonicContact OE1-CZ 3.78Å; E283-R337 IonicContact OE1-NH1 3.63Å; E283-R337 PolarHBondContact OE1-NH1 3.42Å; E283-R337 IonicContact OE1-NH2 2.65Å; E283-R337 PolarHBondContact OE1-NH2 2.99Å; E283-R337 IonicContact OE2-CZ 2.72Å; E283-R337 IonicContact OE2-NH1 3.68Å; E283-R337 PolarHBondContact OE2-NH1 3.28Å; E283-R337 IonicContact OE2-NH2 3.45Å
284I97.5Very high96.5Very high0 Ų034.8 Ų34.80%018%0.177CC..THydrogen-bonded Turntrans-61.9-16.3176.273.9179.6000113.3I198 D202 I203 F206 G281 P282 F286 Q287 P288 F290 V291I198-I284 HydrophobicContact CD1-CB 4.39Å; I198-I284 HydrophobicContact CD1-CG1 4.41Å; I198-I284 WeakPolarHBondContact CD1-O 3.45Å; I198-I284 HydrophobicContact CG2-CD1 3.8Å; I198-I284 HydrophobicContact CG2-CG1 3.73Å; D202-I284 HydrophobicContact CB-CD1 4.39Å; I203-I284 HydrophobicContact CB-CD1 4.22Å; I203-I284 HydrophobicContact CG1-CD1 3.51Å; I203-I284 HydrophobicContact CG1-CG1 3.93Å; F206-I284 HydrophobicContact CD1-CG2 3.48Å; F206-I284 VanDerWaalsContact CD1-CG2 3.48Å; F206-I284 HydrophobicContact CE1-CG2 3.62Å; F206-I284 HydrophobicContact CG-CG2 4.27Å; G281-I284 WeakPolarHBondContact O-CG1 3.36Å; P282-I284 PolarHBondContact O-N 2.87Å; I284-F286 PolarHBondContact O-N 2.86Å; I284-Q287 CarbonylContact O-C 3.59Å; I284-P288 WeakPolarHBondContact O-CA 3.47Å; I284-F290 HydrophobicContact CG2-CB 4.17Å; I284-F290 HydrophobicContact CG2-CD2 4.45Å; I284-V291 HydrophobicContact CB-CG2 4.2Å; I284-V291 HydrophobicContact CD1-CG1 4.37Å; I284-V291 HydrophobicContact CD1-CG2 4.07Å; I284-V291 HydrophobicContact CG2-CG1 3.92Å; I284-V291 HydrophobicContact CG2-CG2 4.37Å
285F97.7Very high96.4Very high4 Ų436.6 Ų36.62%0.01819%0.185CC..THydrogen-bonded Turntrans-65.5-26.9167.2-79.2-57.7000112.9S173 T178 I198 I203 P282 E283 L299 F331 L334S173-F285 VanDerWaalsContact OG-CZ 3.26Å; S173-F285 WeakPolarHBondContact OG-CZ 3.3Å; T178-F285 HydrophobicContact CG2-CE1 4.38Å; I198-F285 HydrophobicContact CG2-CD1 4.12Å; I198-F285 HydrophobicContact CG2-CE1 4.08Å; I203-F285 HydrophobicContact CD1-CD2 4.28Å; I203-F285 HydrophobicContact CD1-CE2 3.54Å; I203-F285 HydrophobicContact CD1-CZ 3.84Å; P282-F285 PolarHBondContact O-N 3.41Å; E283-F285 PolarHBondContact O-N 3.01Å; F285-L299 HydrophobicContact CB-CB 4.31Å; F285-L299 HydrophobicContact CB-CD2 4.25Å; F285-L299 HydrophobicContact CD1-CD2 3.93Å; F285-L299 HydrophobicContact CG-CD2 4.17Å; F285-L299 VanDerWaalsContact O-CB 3.27Å; F285-L299 WeakPolarHBondContact O-CB 3.2Å; F285-L299 PolarHBondContact O-N 2.92Å; F285-F331 HydrophobicContact CE2-CD2 4.24Å; F285-F331 HydrophobicContact CE2-CE2 4.06Å; F285-L334 HydrophobicContact CD2-CD1 4.34Å
286F97.7Very high96.3Very high12 Ų1241 Ų415%0.05321%0.211CC..THydrogen-bonded Turntrans-107.9-28.3-175.2-54.3-76.1000112.9V237 E283 I284 S298 L334 R337 L338V237-F286 HydrophobicContact CG1-CD2 4.46Å; V237-F286 HydrophobicContact CG1-CE2 3.69Å; V237-F286 HydrophobicContact CG1-CZ 4.29Å; V237-F286 HydrophobicContact CG2-CE2 4.29Å; E283-F286 CarbonylContact O-C 3.57Å; E283-F286 WeakPolarHBondContact O-CA 3.33Å; E283-F286 PolarHBondContact O-N 2.74Å; I284-F286 PolarHBondContact O-N 2.86Å; F286-S298 VanDerWaalsContact O-CB 3.31Å; F286-S298 WeakPolarHBondContact O-CB 3.48Å; F286-L334 HydrophobicContact CE2-CD1 3.95Å; F286-L334 HydrophobicContact CZ-CD1 3.71Å; F286-R337 HydrophobicContact CD1-CG 4.08Å; F286-R337 HydrophobicContact CD2-CG 4.19Å; F286-R337 HydrophobicContact CE1-CB 4.44Å; F286-R337 HydrophobicContact CE1-CG 3.49Å; F286-R337 VanDerWaalsContact CE1-CG 3.49Å; F286-R337 HydrophobicContact CE2-CB 4.45Å; F286-R337 HydrophobicContact CE2-CG 3.63Å; F286-R337 HydrophobicContact CG-CG 4.41Å; F286-R337 HydrophobicContact CZ-CB 3.93Å; F286-R337 HydrophobicContact CZ-CG 3.23Å; F286-L338 HydrophobicContact CE1-CD2 3.85Å; F286-L338 HydrophobicContact CE1-CG 4.21Å; F286-L338 HydrophobicContact CZ-CD2 4.27Å; F286-L338 HydrophobicContact CZ-CG 4.22Å
287Q96.9Very high96.3Very high39 Ų3939.5 Ų39.518%0.18221%0.211CC..  trans-125.573.3168.7-69118.333.100109.9E283 I284 E289 F290E283-Q287 PolarHBondContact O-N 2.96Å; E283-Q287 PolarHBondContact OE1-NE2 3.48Å; E283-Q287 PolarHBondContact OE1-OE1 3.14Å; I284-Q287 CarbonylContact O-C 3.59Å; Q287-E289 WeakPolarHBondContact CA-OE2 3.38Å; Q287-E289 PolarHBondContact O-N 3.14Å; Q287-F290 HydrophobicContact CB-CD1 4.12Å; Q287-F290 HydrophobicContact CB-CD2 4.23Å; Q287-F290 HydrophobicContact CB-CE1 3.91Å; Q287-F290 HydrophobicContact CB-CE2 4.02Å; Q287-F290 HydrophobicContact CB-CG 4.27Å; Q287-F290 HydrophobicContact CB-CZ 3.86Å; Q287-F290 HydrophobicContact CG-CE1 4.41Å; Q287-F290 HydrophobicContact CG-CZ 4.19Å; Q287-F290 PolarHBondContact O-N 2.91Å; Q287-F290 VanDerWaalsContact OE1-CZ 3.28Å
288P96.7Very high96.3Very high1 Ų140 Ų401%0.00622%0.215CC..G310 helixtrans-60.7-22.8-179.828.7-39.5000113.9I198 I284 F290 V291 N292 F295 T296I198-P288 HydrophobicContact CD1-CB 3.25Å; I198-P288 HydrophobicContact CG1-CB 4.48Å; I284-P288 WeakPolarHBondContact O-CA 3.47Å; P288-F290 PolarHBondContact O-N 2.97Å; P288-V291 WeakPolarHBondContact O-CG2 3.45Å; P288-V291 PolarHBondContact O-N 2.86Å; P288-N292 PolarHBondContact O-N 3.18Å; P288-F295 CarbonylContact C-O 3.48Å; P288-F295 HydrophobicContact CB-CD1 3.63Å; P288-F295 HydrophobicContact CB-CE1 4.18Å; P288-F295 WeakPolarHBondContact CB-O 3.43Å; P288-F295 HydrophobicContact CG-CD1 3.81Å; P288-F295 HydrophobicContact CG-CE1 4.12Å; P288-F295 WeakPolarHBondContact CG-O 3.3Å; P288-T296 VanDerWaalsContact CG-C 3.4Å
289E96Very high96.3Very high88 Ų8838.5 Ų38.541%0.41121%0.209SC..G310 helixtrans-59.6-16.5177.765.2-91.5-150.800113.9Q287 V291 T296Q287-E289 WeakPolarHBondContact CA-OE2 3.38Å; Q287-E289 PolarHBondContact O-N 3.14Å; E289-V291 PolarHBondContact O-N 2.75Å; E289-T296 HydrophobicContact CB-CG2 4.18Å
290F94.9Very high96.3Very high88 Ų8838.7 Ų38.739%0.38621%0.21SC..G310 helixtrans-64.6-27.9174.4-71.4-1.3000113.1F206 L241 L280 E283 I284 Q287 P288F206-F290 HydrophobicContact CZ-CB 4.3Å; F206-F290 HydrophobicContact CZ-CD2 4.42Å; L241-F290 HydrophobicContact CD1-CE2 4.22Å; L241-F290 HydrophobicContact CD1-CZ 4.08Å; L280-F290 HydrophobicContact CD2-CE2 4.17Å; E283-F290 HydrophobicContact CG-CE2 4.43Å; I284-F290 HydrophobicContact CG2-CB 4.17Å; I284-F290 HydrophobicContact CG2-CD2 4.45Å; Q287-F290 HydrophobicContact CB-CD1 4.12Å; Q287-F290 HydrophobicContact CB-CD2 4.23Å; Q287-F290 HydrophobicContact CB-CE1 3.91Å; Q287-F290 HydrophobicContact CB-CE2 4.02Å; Q287-F290 HydrophobicContact CB-CG 4.27Å; Q287-F290 HydrophobicContact CB-CZ 3.86Å; Q287-F290 HydrophobicContact CG-CE1 4.41Å; Q287-F290 HydrophobicContact CG-CZ 4.19Å; Q287-F290 PolarHBondContact O-N 2.91Å; Q287-F290 VanDerWaalsContact OE1-CZ 3.28Å; P288-F290 PolarHBondContact O-N 2.97Å
291V95Very high96.3Very high53 Ų5341 Ų4132%0.32122%0.223SC..THydrogen-bonded Turntrans-126.4-22.4-176-63.10000113.1I198 F206 I284 P288 E289I198-V291 HydrophobicContact CD1-CG2 4.11Å; F206-V291 HydrophobicContact CB-CG1 3.7Å; F206-V291 HydrophobicContact CD1-CG1 4.12Å; F206-V291 HydrophobicContact CD2-CG1 3.52Å; F206-V291 HydrophobicContact CE2-CG1 4.15Å; F206-V291 HydrophobicContact CG-CG1 3.51Å; I284-V291 HydrophobicContact CB-CG2 4.2Å; I284-V291 HydrophobicContact CD1-CG1 4.37Å; I284-V291 HydrophobicContact CD1-CG2 4.07Å; I284-V291 HydrophobicContact CG2-CG1 3.92Å; I284-V291 HydrophobicContact CG2-CG2 4.37Å; P288-V291 WeakPolarHBondContact O-CG2 3.45Å; P288-V291 PolarHBondContact O-N 2.86Å; E289-V291 PolarHBondContact O-N 2.75Å
292N92.4Very high96.3Very high37 Ų3741.2 Ų41.220%0.19822%0.224CC..  trans-132.796.8-175.7-168.1-26.5000110.2P288 D294 F295P288-N292 PolarHBondContact O-N 3.18Å; N292-D294 PolarHBondContact O-N 3.24Å; N292-D294 PolarHBondContact OD1-N 2.89Å; N292-D294 VanDerWaalsContact OD1-N 3.08Å; N292-F295 HydrophobicContact CB-CB 4.31Å; N292-F295 CarbonylContact O-C 3.45Å; N292-F295 PolarHBondContact O-N 3.49Å; N292-F295 PolarHBondContact OD1-N 3.35Å
293P90.6Very high96.3Very high110 Ų11041.2 Ų41.271%0.71422%0.224SC*.THydrogen-bonded Turntrans-60.8-25178.9-23.634.2000114
294D93.6Very high96.3Very high160 Ų16042.1 Ų42.186%0.85623%0.229SC*.THydrogen-bonded Turntrans-85.3-12.6-177.6-61.1-39.5000112.6N292N292-D294 PolarHBondContact O-N 3.24Å; N292-D294 PolarHBondContact OD1-N 2.89Å; N292-D294 VanDerWaalsContact OD1-N 3.08Å
295F94.6Very high96.4Very high39 Ų3945 Ų4517%0.17124%0.243CC..  trans-128.8109-179.2-170.3-93000110.9I196 P197 P288 N292 T297 V302I196-F295 HydrophobicContact CB-CZ 4.42Å; I196-F295 HydrophobicContact CG1-CZ 4.14Å; I196-F295 HydrophobicContact CG2-CD1 4.5Å; I196-F295 HydrophobicContact CG2-CE1 3.73Å; I196-F295 HydrophobicContact CG2-CZ 4.02Å; P197-F295 HydrophobicContact CG-CB 3.77Å; P197-F295 HydrophobicContact CG-CD1 4.06Å; P197-F295 HydrophobicContact CG-CD2 3.84Å; P197-F295 HydrophobicContact CG-CE2 4.48Å; P197-F295 HydrophobicContact CG-CG 3.61Å; P288-F295 CarbonylContact C-O 3.48Å; P288-F295 HydrophobicContact CB-CD1 3.63Å; P288-F295 HydrophobicContact CB-CE1 4.18Å; P288-F295 WeakPolarHBondContact CB-O 3.43Å; P288-F295 HydrophobicContact CG-CD1 3.81Å; P288-F295 HydrophobicContact CG-CE1 4.12Å; P288-F295 WeakPolarHBondContact CG-O 3.3Å; N292-F295 HydrophobicContact CB-CB 4.31Å; N292-F295 CarbonylContact O-C 3.45Å; N292-F295 PolarHBondContact O-N 3.49Å; N292-F295 PolarHBondContact OD1-N 3.35Å; F295-T297 WeakPolarHBondContact CE1-O 3.29Å; F295-V302 HydrophobicContact CZ-CG2 4.07Å
296T96Very high96.4Very high93 Ų9344.9 Ų44.957%0.57124%0.242SC*.  trans-113.9-0.6-173.460.80000114P288 E289P288-T296 VanDerWaalsContact CG-C 3.4Å; E289-T296 HydrophobicContact CB-CG2 4.18Å
297T96.9Very high96.5Very high52 Ų5244.3 Ų44.332%0.31924%0.24SC..  trans-86.6123.7-173.3-51.20000111.6F295 D301 V302F295-T297 WeakPolarHBondContact CE1-O 3.29Å; T297-D301 HydrophobicContact CG2-CB 3.69Å; T297-V302 HydrophobicContact CG2-CG2 3.72Å
298S97.5Very high96.5Very high12 Ų1245.2 Ų45.28%0.08424%0.244CC..  trans-63149.7177.877.20000112.3F286 S300 D301 V302F286-S298 VanDerWaalsContact O-CB 3.31Å; F286-S298 WeakPolarHBondContact O-CB 3.48Å; S298-S300 PolarHBondContact O-N 3.11Å; S298-S300 PolarHBondContact OG-OG 2.93Å; S298-D301 PolarHBondContact O-N 3.41Å; S298-D301 PolarHBondContact OG-N 3.28Å; S298-D301 VanDerWaalsContact OG-N 3.14Å; S298-D301 PolarHBondContact OG-OD2 3.18Å; S298-V302 WeakPolarHBondContact O-CG2 3.18Å; S298-V302 PolarHBondContact O-N 3.27Å
299L98Very high96.6Very high2 Ų250.6 Ų50.61%0.0127%0.267CS..Hα-helixtrans-54.6-36.8174.5173.459.2000111.8I171 T178 V180 I196 F285 V302 V303 L338I171-L299 HydrophobicContact CG2-CD1 4.04Å; I171-L299 HydrophobicContact CG2-CD2 4.21Å; T178-L299 HydrophobicContact CG2-CD1 4.36Å; V180-L299 HydrophobicContact CG2-CD1 3.88Å; I196-L299 HydrophobicContact CD1-CB 4.32Å; I196-L299 HydrophobicContact CD1-CD1 3.25Å; I196-L299 HydrophobicContact CD1-CG 4.35Å; F285-L299 HydrophobicContact CB-CB 4.31Å; F285-L299 HydrophobicContact CB-CD2 4.25Å; F285-L299 HydrophobicContact CD1-CD2 3.93Å; F285-L299 HydrophobicContact CG-CD2 4.17Å; F285-L299 VanDerWaalsContact O-CB 3.27Å; F285-L299 WeakPolarHBondContact O-CB 3.2Å; F285-L299 PolarHBondContact O-N 2.92Å; L299-V302 PolarHBondContact O-N 2.93Å; L299-V303 HydrophobicContact CD1-CG2 4.23Å; L299-V303 VanDerWaalsContact O-CG2 3.23Å; L299-V303 WeakPolarHBondContact O-CG2 3.19Å; L299-V303 PolarHBondContact O-N 3.13Å; L299-L338 HydrophobicContact CB-CD2 4.3Å; L299-L338 HydrophobicContact CD2-CD1 4.22Å; L299-L338 HydrophobicContact CD2-CD2 3.75Å; L299-L338 HydrophobicContact CG-CD2 3.68Å
300S98Very high96.6Very high3 Ų346.4 Ų46.42%0.02125%0.248CC..Hα-helixtrans-62.1-40.6174.132.80000113.3S298 D304S298-S300 PolarHBondContact O-N 3.11Å; S298-S300 PolarHBondContact OG-OG 2.93Å; S300-D304 PolarHBondContact O-N 3.5Å; S300-D304 VanDerWaalsContact O-N 3.11Å
301D98Very high96.8Very high67 Ų6745.4 Ų45.436%0.35825%0.25SC..Hα-helixtrans-71.8-38.4177.8-61.2-35.8000111T297 S298 V303 D304 E305 N345T297-D301 HydrophobicContact CG2-CB 3.69Å; S298-D301 PolarHBondContact O-N 3.41Å; S298-D301 PolarHBondContact OG-N 3.28Å; S298-D301 VanDerWaalsContact OG-N 3.14Å; S298-D301 PolarHBondContact OG-OD2 3.18Å; D301-V303 VanDerWaalsContact C-N 3.33Å; D301-V303 PolarHBondContact O-N 3.44Å; D301-D304 PolarHBondContact O-N 3.02Å; D301-E305 WeakPolarHBondContact O-CB 3.28Å; D301-E305 PolarHBondContact O-N 2.84Å; D301-N345 PolarHBondContact OD1-ND2 3.35Å
302V98.4Very high96.9Very high5 Ų549.6 Ų49.63%0.0327%0.269CS..Hα-helixtrans-60.8-44.1174.4178.50000110.8V180 K194 I196 F295 T297 S298 L299 D304 E305 V306V180-V302 HydrophobicContact CB-CG1 4.34Å; V180-V302 HydrophobicContact CG2-CG1 3.92Å; K194-V302 HydrophobicContact CB-CG1 3.54Å; K194-V302 HydrophobicContact CG-CG1 4.15Å; I196-V302 HydrophobicContact CD1-CB 3.99Å; I196-V302 HydrophobicContact CD1-CG1 3.94Å; I196-V302 HydrophobicContact CD1-CG2 4.02Å; I196-V302 HydrophobicContact CG1-CB 4.42Å; I196-V302 HydrophobicContact CG1-CG1 4.07Å; I196-V302 HydrophobicContact CG1-CG2 4.12Å; F295-V302 HydrophobicContact CZ-CG2 4.07Å; T297-V302 HydrophobicContact CG2-CG2 3.72Å; S298-V302 WeakPolarHBondContact O-CG2 3.18Å; S298-V302 PolarHBondContact O-N 3.27Å; L299-V302 PolarHBondContact O-N 2.93Å; V302-D304 PolarHBondContact O-N 3.09Å; V302-E305 PolarHBondContact O-N 3.27Å; V302-V306 HydrophobicContact CG1-CG2 4.31Å; V302-V306 WeakPolarHBondContact O-CB 3.47Å; V302-V306 VanDerWaalsContact O-CG2 3.25Å; V302-V306 WeakPolarHBondContact O-CG2 3.17Å; V302-V306 PolarHBondContact O-N 3.25Å
303V98.6Very high97Very high0 Ų054.7 Ų54.70%030%0.296CS..Hα-helixtrans-61.2-45.3176.8174.30000111.5T169 I171 V180 L299 D301 E305 V306 I307 I322 I342T169-V303 HydrophobicContact CG2-CG1 4.38Å; I171-V303 HydrophobicContact CD1-CG2 3.59Å; I171-V303 HydrophobicContact CG1-CG2 3.97Å; V180-V303 HydrophobicContact CG1-CB 4.38Å; V180-V303 HydrophobicContact CG1-CG2 3.83Å; V180-V303 HydrophobicContact CG2-CG2 3.98Å; L299-V303 HydrophobicContact CD1-CG2 4.23Å; L299-V303 VanDerWaalsContact O-CG2 3.23Å; L299-V303 WeakPolarHBondContact O-CG2 3.19Å; L299-V303 PolarHBondContact O-N 3.13Å; D301-V303 VanDerWaalsContact C-N 3.33Å; D301-V303 PolarHBondContact O-N 3.44Å; V303-E305 PolarHBondContact O-N 3.18Å; V303-V306 PolarHBondContact O-N 3.27Å; V303-I307 HydrophobicContact CG1-CD1 3.86Å; V303-I307 WeakPolarHBondContact O-CG1 3.42Å; V303-I307 PolarHBondContact O-N 3.12Å; V303-I307 VanDerWaalsContact O-N 3.08Å; V303-I322 HydrophobicContact CG1-CD1 4.07Å; V303-I342 HydrophobicContact CB-CD1 3.94Å; V303-I342 HydrophobicContact CB-CG1 4.4Å; V303-I342 HydrophobicContact CG1-CD1 3.67Å; V303-I342 HydrophobicContact CG1-CG1 4.4Å; V303-I342 HydrophobicContact CG2-CD1 4.38Å
304D98.3Very high97.3Very high20 Ų2050 Ų5011%0.10727%0.267CS..Hα-helixtrans-62.4-41.7176.1-173.258.1000112S300 D301 V302 I307 Q308 Y319 R349S300-D304 PolarHBondContact O-N 3.5Å; S300-D304 VanDerWaalsContact O-N 3.11Å; D301-D304 PolarHBondContact O-N 3.02Å; V302-D304 PolarHBondContact O-N 3.09Å; D304-I307 PolarHBondContact O-N 3.33Å; D304-Q308 VanDerWaalsContact O-CB 3.23Å; D304-Q308 WeakPolarHBondContact O-CB 3.36Å; D304-Q308 WeakPolarHBondContact O-CG 3.15Å; D304-Q308 PolarHBondContact O-N 2.97Å; D304-Y319 PolarHBondContact OD1-OH 3.07Å; D304-R349 VanDerWaalsContact CG-NH1 3.28Å; D304-R349 IonicContact OD1-CZ 3.69Å; D304-R349 IonicContact OD1-NH1 2.81Å; D304-R349 PolarHBondContact OD1-NH1 2.99Å; D304-R349 VanDerWaalsContact OD1-NH1 3.09Å; D304-R349 IonicContact OD1-NH2 2.76Å; D304-R349 PolarHBondContact OD1-NH2 3.38Å; D304-R349 IonicContact OD2-CZ 2.69Å; D304-R349 IonicContact OD2-NH1 3.85Å; D304-R349 PolarHBondContact OD2-NH1 2.97Å; D304-R349 IonicContact OD2-NH2 3.42Å
305E98.1Very high97.5Very high61 Ų6145 Ų4529%0.28524%0.236SC..Hα-helixtrans-60.2-47.5175.9-170.9-165155.900111.7K194 D301 V302 V303 I307 Q308 K309K194-E305 WeakPolarHBondContact CE-OE1 3.35Å; K194-E305 IonicContact NZ-OE1 2.79Å; K194-E305 PolarHBondContact NZ-OE1 3.03Å; K194-E305 IonicContact NZ-OE2 2.97Å; K194-E305 PolarHBondContact NZ-OE2 2.64Å; D301-E305 WeakPolarHBondContact O-CB 3.28Å; D301-E305 PolarHBondContact O-N 2.84Å; V302-E305 PolarHBondContact O-N 3.27Å; V303-E305 PolarHBondContact O-N 3.18Å; E305-I307 PolarHBondContact O-N 2.88Å; E305-Q308 PolarHBondContact O-N 3.4Å; E305-K309 HydrophobicContact CG-CD 4.25Å; E305-K309 WeakPolarHBondContact O-CB 3.47Å; E305-K309 WeakPolarHBondContact O-CG 3.37Å; E305-K309 PolarHBondContact O-N 3.05Å; E305-K309 VanDerWaalsContact OE1-CE 3.28Å; E305-K309 WeakPolarHBondContact OE1-CE 3.09Å; E305-K309 IonicContact OE1-NZ 2.9Å; E305-K309 PolarHBondContact OE1-NZ 3.29Å
306V98.5Very high97.6Very high0 Ų048.8 Ų48.80%025%0.249CC..Hα-helixtrans-59.6-48179.7166.90000111.1V180 P182 C192 K194 V302 V303 Q308 K309 S310V180-V306 HydrophobicContact CB-CG2 4.02Å; V180-V306 HydrophobicContact CG1-CB 3.95Å; V180-V306 HydrophobicContact CG1-CG1 3.99Å; V180-V306 HydrophobicContact CG1-CG2 3.79Å; P182-V306 HydrophobicContact CB-CG1 4.01Å; P182-V306 HydrophobicContact CG-CG1 3.6Å; C192-V306 WeakPolarHBondContact O-CG1 3.41Å; C192-V306 WeakPolarHBondContact O-CG2 3.28Å; K194-V306 HydrophobicContact CB-CG2 3.64Å; K194-V306 HydrophobicContact CG-CG2 3.46Å; K194-V306 VanDerWaalsContact CG-CG2 3.46Å; V302-V306 HydrophobicContact CG1-CG2 4.31Å; V302-V306 WeakPolarHBondContact O-CB 3.47Å; V302-V306 VanDerWaalsContact O-CG2 3.25Å; V302-V306 WeakPolarHBondContact O-CG2 3.17Å; V302-V306 PolarHBondContact O-N 3.25Å; V303-V306 PolarHBondContact O-N 3.27Å; V306-Q308 VanDerWaalsContact C-N 3.33Å; V306-Q308 PolarHBondContact O-N 2.99Å; V306-K309 PolarHBondContact O-N 3.17Å; V306-S310 PolarHBondContact O-N 2.95Å; V306-S310 PolarHBondContact O-OG 2.96Å
307I98.5Very high97.5Very high0 Ų046 Ų460%024%0.238CC..Hα-helixtrans-67.7-37.8-180-62.5171.9000110.3T169 V303 D304 E305 K309 S310 R315 L318 Y319 I322T169-I307 HydrophobicContact CG2-CD1 4.48Å; T169-I307 HydrophobicContact CG2-CG1 4.41Å; T169-I307 WeakPolarHBondContact OG1-CG1 3.33Å; V303-I307 HydrophobicContact CG1-CD1 3.86Å; V303-I307 WeakPolarHBondContact O-CG1 3.42Å; V303-I307 PolarHBondContact O-N 3.12Å; V303-I307 VanDerWaalsContact O-N 3.08Å; D304-I307 PolarHBondContact O-N 3.33Å; E305-I307 PolarHBondContact O-N 2.88Å; I307-K309 VanDerWaalsContact C-N 3.3Å; I307-K309 PolarHBondContact O-N 3.47Å; I307-S310 WeakPolarHBondContact O-CB 3.28Å; I307-S310 PolarHBondContact O-N 3.36Å; I307-S310 VanDerWaalsContact O-N 3.17Å; I307-R315 HydrophobicContact CG2-CB 3.88Å; I307-R315 HydrophobicContact CG2-CG 4.29Å; I307-R315 WeakPolarHBondContact O-CD 3.46Å; I307-R315 WeakPolarHBondContact O-CG 3.29Å; I307-R315 PolarHBondContact O-NE 3.03Å; I307-L318 HydrophobicContact CD1-CB 4.29Å; I307-L318 HydrophobicContact CG1-CB 4.04Å; I307-L318 HydrophobicContact CG2-CB 3.89Å; I307-L318 HydrophobicContact CG2-CD1 4.28Å; I307-Y319 HydrophobicContact CB-CE1 4.1Å; I307-Y319 HydrophobicContact CB-CE2 4.15Å; I307-Y319 HydrophobicContact CD1-CD1 3.49Å; I307-Y319 VanDerWaalsContact CD1-CD1 3.49Å; I307-Y319 HydrophobicContact CD1-CE1 3.58Å; I307-Y319 HydrophobicContact CD1-CG 4.02Å; I307-Y319 HydrophobicContact CG1-CE1 4.43Å; I307-Y319 HydrophobicContact CG2-CD1 4.31Å; I307-Y319 HydrophobicContact CG2-CD2 3.62Å; I307-Y319 HydrophobicContact CG2-CE1 4.03Å; I307-Y319 HydrophobicContact CG2-CE2 3.28Å; I307-Y319 HydrophobicContact CG2-CG 4.1Å; I307-Y319 VanDerWaalsContact CG2-CZ 3.49Å; I307-I322 HydrophobicContact CD1-CD1 4.35Å
308Q97.8Very high97.6Very high58 Ų5843.5 Ų43.527%0.27122%0.223SC..Hα-helixtrans-72.8-19.2177.8-71.4-71.89000114.1D304 E305 V306 R315 Y319 R349D304-Q308 VanDerWaalsContact O-CB 3.23Å; D304-Q308 WeakPolarHBondContact O-CB 3.36Å; D304-Q308 WeakPolarHBondContact O-CG 3.15Å; D304-Q308 PolarHBondContact O-N 2.97Å; E305-Q308 PolarHBondContact O-N 3.4Å; V306-Q308 VanDerWaalsContact C-N 3.33Å; V306-Q308 PolarHBondContact O-N 2.99Å; Q308-R315 PolarHBondContact O-NH1 3.37Å; Q308-R315 PolarHBondContact O-NH2 3.21Å; Q308-Y319 WeakPolarHBondContact CG-OH 3.37Å; Q308-R349 VanDerWaalsContact NE2-NE 3.17Å
309K97.9Very high97.6Very high114 Ų11442.9 Ų42.950%0.49622%0.219SC..Hα-helixtrans-82.2-22.1169.3-77.3178.4170.3179.20113C192 E305 V306 I307C192-K309 HydrophobicContact CB-CB 4.42Å; C192-K309 VanDerWaalsContact SG-C 3.56Å; C192-K309 PolarHBondContact SG-O 3.42Å; E305-K309 HydrophobicContact CG-CD 4.25Å; E305-K309 WeakPolarHBondContact O-CB 3.47Å; E305-K309 WeakPolarHBondContact O-CG 3.37Å; E305-K309 PolarHBondContact O-N 3.05Å; E305-K309 VanDerWaalsContact OE1-CE 3.28Å; E305-K309 WeakPolarHBondContact OE1-CE 3.09Å; E305-K309 IonicContact OE1-NZ 2.9Å; E305-K309 PolarHBondContact OE1-NZ 3.29Å; V306-K309 PolarHBondContact O-N 3.17Å; I307-K309 VanDerWaalsContact C-N 3.3Å; I307-K309 PolarHBondContact O-N 3.47Å
310S97.9Very high97.5Very high1 Ų144 Ų441%0.00723%0.231CC..SBendtrans-68.9158.9177.8-58.50000112V306 I307 R315V306-S310 PolarHBondContact O-N 2.95Å; V306-S310 PolarHBondContact O-OG 2.96Å; I307-S310 WeakPolarHBondContact O-CB 3.28Å; I307-S310 PolarHBondContact O-N 3.36Å; I307-S310 VanDerWaalsContact O-N 3.17Å; S310-R315 PolarHBondContact O-NE 2.79Å; S310-R315 PolarHBondContact O-NH2 2.91Å
311P97.6Very high97.4Very high66 Ų6644.7 Ų44.743%0.42924%0.235SC..  trans-50.3143175.2-29.337.5000113.1D313 S314 R315P311-D313 VanDerWaalsContact C-N 3.3Å; P311-D313 WeakPolarHBondContact CB-OD1 3.35Å; P311-D313 PolarHBondContact O-N 3.02Å; P311-S314 PolarHBondContact O-N 2.91Å; P311-S314 PolarHBondContact O-OG 2.92Å; P311-R315 WeakPolarHBondContact O-CG 3.22Å; P311-R315 PolarHBondContact O-N 3.44Å
312I96.7Very high97.3Very high141 Ų14141.5 Ų41.572%0.72322%0.217SC*.THydrogen-bonded Turntrans-62.5-37.2-169.2-67.7173000112.4
313D96.4Very high97.2Very high144 Ų14441.3 Ų41.377%0.7722%0.216SC*.THydrogen-bonded Turntrans-67.1-31.5179.451.5-13.3000113.3P311P311-D313 VanDerWaalsContact C-N 3.3Å; P311-D313 WeakPolarHBondContact CB-OD1 3.35Å; P311-D313 PolarHBondContact O-N 3.02Å
314S96.1Very high97.2Very high13 Ų1341.3 Ų41.39%0.09122%0.216CC..THydrogen-bonded Turntrans-85.4-22.8-179.866.90000114.3P311 R316 G317 L318P311-S314 PolarHBondContact O-N 2.91Å; P311-S314 PolarHBondContact O-OG 2.92Å; S314-R316 VanDerWaalsContact C-N 3.29Å; S314-R316 PolarHBondContact O-N 3.2Å; S314-R316 VanDerWaalsContact O-N 3.12Å; S314-G317 WeakPolarHBondContact O-CA 3.28Å; S314-G317 PolarHBondContact O-N 3.16Å; S314-L318 PolarHBondContact O-N 3.41Å
315R97.7Very high97.1Very high55 Ų5540.4 Ų40.421%0.20821%0.212CC..Hα-helixtrans-54.8-39.6-170-53.7-167.3-175.2176.80.5114.5I307 Q308 S310 P311 G317 L318 Y319I307-R315 HydrophobicContact CG2-CB 3.88Å; I307-R315 HydrophobicContact CG2-CG 4.29Å; I307-R315 WeakPolarHBondContact O-CD 3.46Å; I307-R315 WeakPolarHBondContact O-CG 3.29Å; I307-R315 PolarHBondContact O-NE 3.03Å; Q308-R315 PolarHBondContact O-NH1 3.37Å; Q308-R315 PolarHBondContact O-NH2 3.21Å; S310-R315 PolarHBondContact O-NE 2.79Å; S310-R315 PolarHBondContact O-NH2 2.91Å; P311-R315 WeakPolarHBondContact O-CG 3.22Å; P311-R315 PolarHBondContact O-N 3.44Å; R315-G317 VanDerWaalsContact C-N 3.34Å; R315-L318 PolarHBondContact O-N 3.01Å; R315-Y319 HydrophobicContact CB-CE2 4.43Å; R315-Y319 WeakPolarHBondContact O-CD2 3.42Å; R315-Y319 PolarHBondContact O-N 2.85Å
316R96.3Very high96.9Very high117 Ų11738 Ų3844%0.44220%0.203SC..Hα-helixtrans-64.9-39.3179-73.6-175.5174.6-84-7.1111.7S314 G320 K364 S365S314-R316 VanDerWaalsContact C-N 3.29Å; S314-R316 PolarHBondContact O-N 3.2Å; S314-R316 VanDerWaalsContact O-N 3.12Å; R316-G320 PolarHBondContact O-N 3.19Å; R316-K364 PolarHBondContact NH2-O 3Å; R316-S365 PolarHBondContact NH1-O 2.79Å
317G94.9Very high96.7Very high34 Ų3440 Ų4035%0.35122%0.223SC..Hα-helixtrans-65.1-42173.300000111.6S314 R315 G320 N321S314-G317 WeakPolarHBondContact O-CA 3.28Å; S314-G317 PolarHBondContact O-N 3.16Å; R315-G317 VanDerWaalsContact C-N 3.34Å; G317-G320 PolarHBondContact O-N 3.06Å; G317-N321 PolarHBondContact O-N 3.27Å; G317-N321 VanDerWaalsContact O-N 3.16Å
318L97.6Very high96.6Very high0 Ų040.3 Ų40.30%023%0.226CC..Hα-helixtrans-63.5-43.6178.5-66.2178.7000113.2T167 G168 T169 P182 V183 V184 I307 S314 R315 I322T167-L318 HydrophobicContact CG2-CD2 4.43Å; G168-L318 VanDerWaalsContact O-CD2 3.32Å; G168-L318 WeakPolarHBondContact O-CD2 3.19Å; T169-L318 WeakPolarHBondContact OG1-CB 3.45Å; T169-L318 PolarHBondContact OG1-O 2.9Å; P182-L318 HydrophobicContact CB-CD1 4.05Å; P182-L318 HydrophobicContact CB-CD2 4.2Å; V183-L318 WeakPolarHBondContact O-CD2 3.38Å; V184-L318 HydrophobicContact CG2-CD2 4.24Å; I307-L318 HydrophobicContact CD1-CB 4.29Å; I307-L318 HydrophobicContact CG1-CB 4.04Å; I307-L318 HydrophobicContact CG2-CB 3.89Å; I307-L318 HydrophobicContact CG2-CD1 4.28Å; S314-L318 PolarHBondContact O-N 3.41Å; R315-L318 PolarHBondContact O-N 3.01Å; L318-I322 WeakPolarHBondContact O-CG1 3.36Å
319Y97.9Very high96.5Very high0 Ų037.7 Ų37.70%021%0.213CC..Hα-helixtrans-68.7-35.8173.6-76.4-64000112.8D304 I307 Q308 R315 N321 I342 V346 R349 I366 D367 V368 K369D304-Y319 PolarHBondContact OD1-OH 3.07Å; I307-Y319 HydrophobicContact CB-CE1 4.1Å; I307-Y319 HydrophobicContact CB-CE2 4.15Å; I307-Y319 HydrophobicContact CD1-CD1 3.49Å; I307-Y319 VanDerWaalsContact CD1-CD1 3.49Å; I307-Y319 HydrophobicContact CD1-CE1 3.58Å; I307-Y319 HydrophobicContact CD1-CG 4.02Å; I307-Y319 HydrophobicContact CG1-CE1 4.43Å; I307-Y319 HydrophobicContact CG2-CD1 4.31Å; I307-Y319 HydrophobicContact CG2-CD2 3.62Å; I307-Y319 HydrophobicContact CG2-CE1 4.03Å; I307-Y319 HydrophobicContact CG2-CE2 3.28Å; I307-Y319 HydrophobicContact CG2-CG 4.1Å; I307-Y319 VanDerWaalsContact CG2-CZ 3.49Å; Q308-Y319 WeakPolarHBondContact CG-OH 3.37Å; R315-Y319 HydrophobicContact CB-CE2 4.43Å; R315-Y319 WeakPolarHBondContact O-CD2 3.42Å; R315-Y319 PolarHBondContact O-N 2.85Å; Y319-N321 PolarHBondContact O-N 3.32Å; Y319-I342 HydrophobicContact CD1-CG2 4.11Å; Y319-I342 HydrophobicContact CE1-CG2 4Å; Y319-V346 HydrophobicContact CD1-CG2 4.11Å; Y319-V346 HydrophobicContact CE1-CG2 3.51Å; Y319-V346 HydrophobicContact CE2-CG2 4.45Å; Y319-R349 PolarHBondContact OH-NH2 2.98Å; Y319-I366 HydrophobicContact CD2-CG2 3.58Å; Y319-I366 HydrophobicContact CE2-CD1 4.49Å; Y319-I366 HydrophobicContact CE2-CG2 4.36Å; Y319-I366 HydrophobicContact CG-CG2 3.77Å; Y319-D367 CarbonylContact C-O 3.53Å; Y319-D367 WeakPolarHBondContact CB-O 3.37Å; Y319-V368 HydrophobicContact CD1-CG2 4.13Å; Y319-V368 HydrophobicContact CG-CG2 4.46Å; Y319-V368 WeakPolarHBondContact O-CA 3.42Å; Y319-K369 PolarHBondContact O-N 3.03Å
320G95.6Very high96.4Very high26 Ų2636.2 Ų36.227%0.26821%0.21SC..Hα-helixtrans-73.7-7.2-179.300000114.4R316 G317 K369R316-G320 PolarHBondContact O-N 3.19Å; G317-G320 PolarHBondContact O-N 3.06Å; G320-K369 WeakPolarHBondContact O-CB 3.23Å
321N95.6Very high96.4Very high17 Ų1737.2 Ų37.29%0.09121%0.214CC..  trans-148.774.7-179.4-169.928.5000111.8T167 G168 T169 G317 Y319T167-N321 PolarHBondContact O-ND2 3.34Å; G168-N321 CarbonylContact C-O 3.58Å; G168-N321 WeakPolarHBondContact CA-O 3.19Å; T169-N321 PolarHBondContact N-O 2.74Å; G317-N321 PolarHBondContact O-N 3.27Å; G317-N321 VanDerWaalsContact O-N 3.16Å; Y319-N321 PolarHBondContact O-N 3.32Å
322I97.3Very high96.4Very high0 Ų040.6 Ų40.60%022%0.222CC..EExtended strand (participates in β ladder)trans-95.7108.9175.3-56171.6000108.6T169 I171 V303 I307 L318 I342 V368 K369 V370 V371T169-I322 CarbonylContact O-C 3.51Å; T169-I322 VanDerWaalsContact O-CA 3.23Å; T169-I322 WeakPolarHBondContact O-CA 3.41Å; I171-I322 HydrophobicContact CD1-CG2 3.69Å; I171-I322 HydrophobicContact CG1-CG2 4.06Å; V303-I322 HydrophobicContact CG1-CD1 4.07Å; I307-I322 HydrophobicContact CD1-CD1 4.35Å; L318-I322 WeakPolarHBondContact O-CG1 3.36Å; I322-I342 HydrophobicContact CD1-CD1 3.95Å; I322-I342 HydrophobicContact CD1-CG2 4.48Å; I322-V368 HydrophobicContact CD1-CG1 4.07Å; I322-K369 WeakPolarHBondContact CB-O 3.4Å; I322-K369 PolarHBondContact N-O 2.74Å; I322-V370 HydrophobicContact CB-CG2 4.14Å; I322-V370 HydrophobicContact CD1-CG2 4.29Å; I322-V370 HydrophobicContact CG2-CG2 4.25Å; I322-V370 CarbonylContact O-C 3.51Å; I322-V370 WeakPolarHBondContact O-CA 3.46Å; I322-V371 PolarHBondContact O-N 2.97Å
323V96.5Very high96.4Very high0 Ų036.9 Ų36.90%020%0.201CC..EExtended strand (participates in β ladder)trans-99.8133.1-174.7174.70000110.6L152 T169 V170 I171 V371L152-V323 HydrophobicContact CD2-CB 3.94Å; L152-V323 HydrophobicContact CD2-CG2 3.53Å; T169-V323 PolarHBondContact O-N 2.84Å; V170-V323 WeakPolarHBondContact CA-O 3.42Å; I171-V323 PolarHBondContact N-O 3.16Å; V323-V371 HydrophobicContact CG2-CB 4.26Å
324L97.1Very high96.5Very high1 Ų130.2 Ų30.21%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-89.6137.4173.4-57.9-176.3000110.7I171 D335 L338 V370 V371 Q376I171-L324 HydrophobicContact CB-CD2 3.98Å; I171-L324 HydrophobicContact CD1-CD2 3.9Å; I171-L324 HydrophobicContact CG1-CD2 4.4Å; I171-L324 HydrophobicContact CG2-CD2 4.48Å; L324-D335 HydrophobicContact CD1-CB 3.89Å; L324-L338 HydrophobicContact CD2-CD1 3.76Å; L324-V370 HydrophobicContact CD1-CG1 3.99Å; L324-V370 HydrophobicContact CD2-CG1 3.89Å; L324-V370 HydrophobicContact CG-CG1 3.82Å; L324-V371 PolarHBondContact N-O 3.35Å; L324-Q376 HydrophobicContact CB-CG 4.13Å
325S96.1Very high96.5Very high1 Ų130.5 Ų30.51%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-137.9150.1176.1172.90000111.2I171 D172 S173 S329I171-S325 PolarHBondContact O-N 3.41Å; D172-S325 WeakPolarHBondContact CA-O 3.28Å; D172-S325 WeakPolarHBondContact OD1-CB 3.22Å; D172-S325 PolarHBondContact OD1-OG 2.75Å; S173-S325 PolarHBondContact N-O 2.74Å; S325-S329 VanDerWaalsContact C-OG 3.31Å; S325-S329 PolarHBondContact O-OG 2.66Å; S325-S329 VanDerWaalsContact O-OG 3.12Å
326G94.7Very high96.4Very high10 Ų1035.4 Ų35.410%0.10318%0.184CC..SBendtrans91.5155.8170.700000114S173 S328 S329 Q376S173-G326 CarbonylContact O-C 3.51Å; S173-G326 VanDerWaalsContact O-C 3.25Å; S173-G326 WeakPolarHBondContact O-CA 3.29Å; G326-S328 VanDerWaalsContact C-N 3.28Å; G326-S328 PolarHBondContact O-N 3.09Å; G326-S329 WeakPolarHBondContact O-CB 3.38Å; G326-S329 PolarHBondContact O-N 3Å; G326-S329 PolarHBondContact O-OG 3.09Å; G326-Q376 PolarHBondContact N-O 3.37Å
327G94Very high96.5Very high41 Ų4131 Ų3142%0.42317%0.168SC..G310 helixtrans-59.9-32.1-172.200000114.8S173 S329 M330S173-G327 PolarHBondContact O-N 3.46Å; G327-S329 PolarHBondContact O-N 2.87Å; G327-M330 VanDerWaalsContact O-CB 3.3Å; G327-M330 WeakPolarHBondContact O-CB 3.4Å; G327-M330 WeakPolarHBondContact O-CG 3.28Å; G327-M330 PolarHBondContact O-N 3.41Å
328S96.2Very high96.7Very high8 Ų829.3 Ų29.36%0.05615%0.151CC..G310 helixtrans-79.3-6.2179.9-58.80000112.9S173 G174 G200 G326 F331S173-S328 WeakPolarHBondContact O-CB 3.34Å; S173-S328 PolarHBondContact O-N 3.28Å; S173-S328 VanDerWaalsContact OG-CB 3.31Å; S173-S328 WeakPolarHBondContact OG-CB 3.43Å; G174-S328 WeakPolarHBondContact O-CB 3.45Å; G174-S328 PolarHBondContact O-OG 3.42Å; G200-S328 WeakPolarHBondContact CA-OG 3.01Å; G200-S328 PolarHBondContact N-OG 3.09Å; G326-S328 VanDerWaalsContact C-N 3.28Å; G326-S328 PolarHBondContact O-N 3.09Å; S328-F331 WeakPolarHBondContact O-CD2 3.34Å; S328-F331 WeakPolarHBondContact O-CE2 3.48Å
329S96.5Very high96.7Very high2 Ų232.7 Ų32.71%0.01417%0.166CC..G310 helixtrans-86.5-7.8170.2730000113.1S325 G326 G327 F331 L334 Q376S325-S329 VanDerWaalsContact C-OG 3.31Å; S325-S329 PolarHBondContact O-OG 2.66Å; S325-S329 VanDerWaalsContact O-OG 3.12Å; G326-S329 WeakPolarHBondContact O-CB 3.38Å; G326-S329 PolarHBondContact O-N 3Å; G326-S329 PolarHBondContact O-OG 3.09Å; G327-S329 PolarHBondContact O-N 2.87Å; S329-F331 PolarHBondContact O-N 2.93Å; S329-F331 VanDerWaalsContact O-N 3.16Å; S329-L334 VanDerWaalsContact CA-CD2 3.5Å; S329-L334 VanDerWaalsContact O-CD2 3.27Å; S329-L334 WeakPolarHBondContact O-CD2 3.41Å; S329-Q376 VanDerWaalsContact CB-NE2 3.32Å; S329-Q376 PolarHBondContact O-NE2 2.88Å; S329-Q376 WeakPolarHBondContact OG-CG 3.32Å; S329-Q376 PolarHBondContact OG-NE2 2.77Å
330M96.6Very high96.7Very high84 Ų8437.8 Ų37.841%0.41419%0.186SC..  trans-750.3-174-64.6-62.6-65.600114.7G327 K332 Q376 R377G327-M330 VanDerWaalsContact O-CB 3.3Å; G327-M330 WeakPolarHBondContact O-CB 3.4Å; G327-M330 WeakPolarHBondContact O-CG 3.28Å; G327-M330 PolarHBondContact O-N 3.41Å; M330-K332 PolarHBondContact O-N 2.79Å; M330-Q376 HydrophobicContact SD-CB 3.59Å; M330-Q376 VanDerWaalsContact SD-CB 3.59Å; M330-Q376 HydrophobicContact SD-CG 3.65Å; M330-R377 HydrophobicContact CE-CB 4.28Å; M330-R377 HydrophobicContact CG-CB 4.16Å; M330-R377 HydrophobicContact CG-CG 4.49Å; M330-R377 HydrophobicContact SD-CB 3.99Å; M330-R377 PolarHBondContact SD-N 3Å; M330-R377 VanDerWaalsContact SD-N 3.37Å
331F97.2Very high96.8Very high21 Ų2137.5 Ų37.59%0.09218%0.178CC..SBendtrans-61.1134.6179.1-64.5-67.5000111.3I203 K231 V237 P282 F285 S328 S329 H333 L334I203-F331 HydrophobicContact CD1-CE2 3.56Å; I203-F331 HydrophobicContact CD1-CZ 3.85Å; I203-F331 HydrophobicContact CG2-CZ 4.11Å; K231-F331 HydrophobicContact CD-CZ 4.24Å; K231-F331 HydrophobicContact CG-CE1 3.93Å; K231-F331 HydrophobicContact CG-CZ 3.9Å; V237-F331 HydrophobicContact CG2-CB 3.96Å; P282-F331 HydrophobicContact CB-CB 4.44Å; P282-F331 HydrophobicContact CB-CD1 4.19Å; P282-F331 HydrophobicContact CB-CD2 3.99Å; P282-F331 HydrophobicContact CB-CE1 4.48Å; P282-F331 HydrophobicContact CB-CE2 4.29Å; P282-F331 HydrophobicContact CB-CG 3.94Å; P282-F331 HydrophobicContact CG-CB 4.48Å; P282-F331 HydrophobicContact CG-CD1 3.52Å; P282-F331 HydrophobicContact CG-CD2 4.18Å; P282-F331 HydrophobicContact CG-CE1 3.67Å; P282-F331 HydrophobicContact CG-CE2 4.31Å; P282-F331 HydrophobicContact CG-CG 3.79Å; P282-F331 HydrophobicContact CG-CZ 4.07Å; F285-F331 HydrophobicContact CE2-CD2 4.24Å; F285-F331 HydrophobicContact CE2-CE2 4.06Å; S328-F331 WeakPolarHBondContact O-CD2 3.34Å; S328-F331 WeakPolarHBondContact O-CE2 3.48Å; S329-F331 PolarHBondContact O-N 2.93Å; S329-F331 VanDerWaalsContact O-N 3.16Å; F331-H333 PolarHBondContact O-N 3.43Å; F331-L334 HydrophobicContact CB-CB 4.33Å; F331-L334 WeakPolarHBondContact O-CB 3.47Å; F331-L334 PolarHBondContact O-N 2.85Å; F331-L334 VanDerWaalsContact O-N 3.16Å
332K96.9Very high97Very high138 Ų13836.7 Ų36.760%0.617%0.174SC*.BIsolated β-bridgetrans-56.3131.9176.4-165.9-171.7-175.9-174.30109.8V237 M330 L334V237-K332 PolarHBondContact N-O 3.36Å; M330-K332 PolarHBondContact O-N 2.79Å; K332-L334 VanDerWaalsContact C-N 3.27Å; K332-L334 PolarHBondContact O-N 2.89Å
333H97Very high97Very high63 Ų6339.9 Ų39.929%0.29219%0.188SC..THydrogen-bonded Turntrans71.34.8178.7-48.7-51.3000116.6F331 D335 R336 R337F331-H333 PolarHBondContact O-N 3.43Å; H333-D335 VanDerWaalsContact C-N 3.3Å; H333-D335 PolarHBondContact O-N 3.48Å; H333-R336 PolarHBondContact O-N 3.01Å; H333-R337 WeakPolarHBondContact O-CB 3.45Å; H333-R337 PolarHBondContact O-N 2.98Å
334L97.8Very high97.1Very high3 Ų348 Ų482%0.01622%0.218CC..Hα-helixtrans-57.5-45.3175.3-177.170000111.6V237 F285 F286 S329 F331 K332 R336 R337 L338V237-L334 HydrophobicContact CG2-CB 3.96Å; V237-L334 HydrophobicContact CG2-CD1 3.78Å; V237-L334 HydrophobicContact CG2-CG 4.5Å; F285-L334 HydrophobicContact CD2-CD1 4.34Å; F286-L334 HydrophobicContact CE2-CD1 3.95Å; F286-L334 HydrophobicContact CZ-CD1 3.71Å; S329-L334 VanDerWaalsContact CA-CD2 3.5Å; S329-L334 VanDerWaalsContact O-CD2 3.27Å; S329-L334 WeakPolarHBondContact O-CD2 3.41Å; F331-L334 HydrophobicContact CB-CB 4.33Å; F331-L334 WeakPolarHBondContact O-CB 3.47Å; F331-L334 PolarHBondContact O-N 2.85Å; F331-L334 VanDerWaalsContact O-N 3.16Å; K332-L334 VanDerWaalsContact C-N 3.27Å; K332-L334 PolarHBondContact O-N 2.89Å; L334-R336 PolarHBondContact O-N 3.48Å; L334-R337 PolarHBondContact O-N 3.27Å; L334-L338 HydrophobicContact CD1-CD1 4.25Å; L334-L338 HydrophobicContact CD1-CG 4.45Å; L334-L338 HydrophobicContact CD2-CD1 4.44Å; L334-L338 HydrophobicContact CG-CD1 3.91Å; L334-L338 HydrophobicContact CG-CG 4.48Å; L334-L338 WeakPolarHBondContact O-CB 3.46Å; L334-L338 WeakPolarHBondContact O-CG 3.47Å; L334-L338 PolarHBondContact O-N 2.81Å
335D96.6Very high97.1Very high19 Ų1949.8 Ų49.810%0.10223%0.228CC..Hα-helixtrans-54.3-48.6176.363.3-27.2000112.5R160 L324 H333 Q339 V370 S372R160-D335 IonicContact NH1-OD2 3.02Å; L324-D335 HydrophobicContact CD1-CB 3.89Å; H333-D335 VanDerWaalsContact C-N 3.3Å; H333-D335 PolarHBondContact O-N 3.48Å; D335-Q339 WeakPolarHBondContact O-CB 3.42Å; D335-Q339 PolarHBondContact O-N 2.89Å; D335-V370 HydrophobicContact CB-CG1 4.06Å; D335-S372 PolarHBondContact OD2-OG 3Å
336R97Very high97.1Very high159 Ų15949.7 Ų49.760%0.623%0.227SC*.Hα-helixtrans-68-41.2-179.4-64.7-178.4-175-172.8-3111.9H333 L334 R340H333-R336 PolarHBondContact O-N 3.01Å; L334-R336 PolarHBondContact O-N 3.48Å; R336-R340 VanDerWaalsContact O-CB 3.28Å; R336-R340 WeakPolarHBondContact O-CB 3.44Å; R336-R340 PolarHBondContact O-N 3.49Å
337R98Very high97.3Very high23 Ų2351.9 Ų51.99%0.08724%0.237CC..Hα-helixtrans-63.3-49.2177.9177.666.7-179-88.1-6.6110.5V237 C238 E283 F286 H333 L334 R340 D341V237-R337 HydrophobicContact CG1-CB 3.52Å; V237-R337 HydrophobicContact CG1-CG 3.59Å; C238-R337 PolarHBondContact O-NH1 2.87Å; E283-R337 IonicContact OE1-CZ 3.78Å; E283-R337 IonicContact OE1-NH1 3.63Å; E283-R337 PolarHBondContact OE1-NH1 3.42Å; E283-R337 IonicContact OE1-NH2 2.65Å; E283-R337 PolarHBondContact OE1-NH2 2.99Å; E283-R337 IonicContact OE2-CZ 2.72Å; E283-R337 IonicContact OE2-NH1 3.68Å; E283-R337 PolarHBondContact OE2-NH1 3.28Å; E283-R337 IonicContact OE2-NH2 3.45Å; F286-R337 HydrophobicContact CD1-CG 4.08Å; F286-R337 HydrophobicContact CD2-CG 4.19Å; F286-R337 HydrophobicContact CE1-CB 4.44Å; F286-R337 HydrophobicContact CE1-CG 3.49Å; F286-R337 VanDerWaalsContact CE1-CG 3.49Å; F286-R337 HydrophobicContact CE2-CB 4.45Å; F286-R337 HydrophobicContact CE2-CG 3.63Å; F286-R337 HydrophobicContact CG-CG 4.41Å; F286-R337 HydrophobicContact CZ-CB 3.93Å; F286-R337 HydrophobicContact CZ-CG 3.23Å; H333-R337 WeakPolarHBondContact O-CB 3.45Å; H333-R337 PolarHBondContact O-N 2.98Å; L334-R337 PolarHBondContact O-N 3.27Å; R337-R340 PolarHBondContact O-N 3.26Å; R337-D341 WeakPolarHBondContact CD-OD2 3.4Å; R337-D341 IonicContact CZ-OD2 2.79Å; R337-D341 IonicContact NE-OD1 2.95Å; R337-D341 IonicContact NE-OD2 3.36Å; R337-D341 PolarHBondContact NE-OD2 2.72Å; R337-D341 IonicContact NH2-OD2 3.46Å; R337-D341 WeakPolarHBondContact O-CB 3.25Å; R337-D341 PolarHBondContact O-N 3.31Å
338L98.1Very high97.4Very high0 Ų054.2 Ų54.20%024%0.239CC..Hα-helixtrans-58.7-50.3176.4-77.3168.9000111.6I171 F286 L299 L324 L334 R340 D341 I342 V370I171-L338 HydrophobicContact CD1-CD1 3.88Å; F286-L338 HydrophobicContact CE1-CD2 3.85Å; F286-L338 HydrophobicContact CE1-CG 4.21Å; F286-L338 HydrophobicContact CZ-CD2 4.27Å; F286-L338 HydrophobicContact CZ-CG 4.22Å; L299-L338 HydrophobicContact CB-CD2 4.3Å; L299-L338 HydrophobicContact CD2-CD1 4.22Å; L299-L338 HydrophobicContact CD2-CD2 3.75Å; L299-L338 HydrophobicContact CG-CD2 3.68Å; L324-L338 HydrophobicContact CD2-CD1 3.76Å; L334-L338 HydrophobicContact CD1-CD1 4.25Å; L334-L338 HydrophobicContact CD1-CG 4.45Å; L334-L338 HydrophobicContact CD2-CD1 4.44Å; L334-L338 HydrophobicContact CG-CD1 3.91Å; L334-L338 HydrophobicContact CG-CG 4.48Å; L334-L338 WeakPolarHBondContact O-CB 3.46Å; L334-L338 WeakPolarHBondContact O-CG 3.47Å; L334-L338 PolarHBondContact O-N 2.81Å; L338-R340 VanDerWaalsContact C-N 3.31Å; L338-R340 PolarHBondContact O-N 3.24Å; L338-D341 PolarHBondContact O-N 2.86Å; L338-I342 HydrophobicContact CB-CD1 4.29Å; L338-I342 WeakPolarHBondContact O-CB 3.38Å; L338-I342 WeakPolarHBondContact O-CD1 3.06Å; L338-I342 WeakPolarHBondContact O-CG1 3.28Å; L338-I342 PolarHBondContact O-N 3.45Å; L338-V370 HydrophobicContact CB-CG2 4.13Å
339Q98.2Very high97.4Very high70 Ų7056.7 Ų56.733%0.32725%0.248SC..Hα-helixtrans-59.9-43.2-178.8-170.9171.5-51.700111.6D335 K343 V368 V370D335-Q339 WeakPolarHBondContact O-CB 3.42Å; D335-Q339 PolarHBondContact O-N 2.89Å; Q339-K343 WeakPolarHBondContact O-CB 3.48Å; Q339-K343 PolarHBondContact O-N 3.12Å; Q339-V368 VanDerWaalsContact CD-O 3.24Å; Q339-V368 HydrophobicContact CG-CG1 4.3Å; Q339-V368 VanDerWaalsContact CG-O 3.28Å; Q339-V368 WeakPolarHBondContact CG-O 3.31Å; Q339-V368 PolarHBondContact NE2-O 2.77Å; Q339-V370 HydrophobicContact CB-CB 4.04Å; Q339-V370 HydrophobicContact CB-CG2 3.66Å; Q339-V370 HydrophobicContact CG-CG2 4.3Å
340R98Very high97.4Very high107 Ų10758 Ų5840%0.40425%0.254SS..Hα-helixtrans-62.6-49.9178.1-178.7-165.870.1179.79.5111.7P239 R336 R337 L338 K343 R344P239-R340 PolarHBondContact O-NH1 3.33Å; P239-R340 PolarHBondContact O-NH2 3.05Å; R336-R340 VanDerWaalsContact O-CB 3.28Å; R336-R340 WeakPolarHBondContact O-CB 3.44Å; R336-R340 PolarHBondContact O-N 3.49Å; R337-R340 PolarHBondContact O-N 3.26Å; L338-R340 VanDerWaalsContact C-N 3.31Å; L338-R340 PolarHBondContact O-N 3.24Å; R340-K343 PolarHBondContact O-N 2.96Å; R340-R344 WeakPolarHBondContact O-CB 3.49Å; R340-R344 PolarHBondContact O-N 3.23Å
341D98.1Very high97.3Very high20 Ų2059.7 Ų59.711%0.10726%0.259CS..Hα-helixtrans-71.8-42.1-172.9-68.53.7000110.7R337 L338 R344 N345R337-D341 WeakPolarHBondContact CD-OD2 3.4Å; R337-D341 IonicContact CZ-OD2 2.79Å; R337-D341 IonicContact NE-OD1 2.95Å; R337-D341 IonicContact NE-OD2 3.36Å; R337-D341 PolarHBondContact NE-OD2 2.72Å; R337-D341 IonicContact NH2-OD2 3.46Å; R337-D341 WeakPolarHBondContact O-CB 3.25Å; R337-D341 PolarHBondContact O-N 3.31Å; L338-D341 PolarHBondContact O-N 2.86Å; D341-R344 WeakPolarHBondContact O-CB 3.47Å; D341-R344 PolarHBondContact O-N 2.85Å; D341-N345 PolarHBondContact O-N 3.23Å
342I98.5Very high97.2Very high0 Ų063 Ų630%028%0.277CS..Hα-helixtrans-62.1-46.6173.1-63164000110.4V303 Y319 I322 L338 R344 N345 V346 V368V303-I342 HydrophobicContact CB-CD1 3.94Å; V303-I342 HydrophobicContact CB-CG1 4.4Å; V303-I342 HydrophobicContact CG1-CD1 3.67Å; V303-I342 HydrophobicContact CG1-CG1 4.4Å; V303-I342 HydrophobicContact CG2-CD1 4.38Å; Y319-I342 HydrophobicContact CD1-CG2 4.11Å; Y319-I342 HydrophobicContact CE1-CG2 4Å; I322-I342 HydrophobicContact CD1-CD1 3.95Å; I322-I342 HydrophobicContact CD1-CG2 4.48Å; L338-I342 HydrophobicContact CB-CD1 4.29Å; L338-I342 WeakPolarHBondContact O-CB 3.38Å; L338-I342 WeakPolarHBondContact O-CD1 3.06Å; L338-I342 WeakPolarHBondContact O-CG1 3.28Å; L338-I342 PolarHBondContact O-N 3.45Å; I342-R344 VanDerWaalsContact C-N 3.29Å; I342-R344 PolarHBondContact O-N 3.48Å; I342-N345 WeakPolarHBondContact O-CB 3.27Å; I342-N345 PolarHBondContact O-N 3.02Å; I342-N345 VanDerWaalsContact O-N 3.17Å; I342-V346 HydrophobicContact CG2-CG2 4.28Å; I342-V346 VanDerWaalsContact O-CG2 3.3Å; I342-V346 WeakPolarHBondContact O-CG2 3.24Å; I342-V346 PolarHBondContact O-N 3.37Å; I342-V368 HydrophobicContact CB-CG1 4.02Å; I342-V368 HydrophobicContact CG2-CG1 3.66Å; I342-V368 HydrophobicContact CG2-CG2 4.36Å
343K98.2Very high97.1Very high68 Ų6859 Ų5930%0.29627%0.265SS..Hα-helixtrans-59.4-41.5177.6179.8160.6178.446.80111.8Q339 R340 N345 V346 D347 V368Q339-K343 WeakPolarHBondContact O-CB 3.48Å; Q339-K343 PolarHBondContact O-N 3.12Å; R340-K343 PolarHBondContact O-N 2.96Å; K343-N345 PolarHBondContact O-N 2.92Å; K343-V346 PolarHBondContact O-N 3.41Å; K343-D347 WeakPolarHBondContact CE-OD2 3.32Å; K343-D347 VanDerWaalsContact CG-OD2 3.31Å; K343-D347 WeakPolarHBondContact CG-OD2 3.42Å; K343-D347 VanDerWaalsContact NZ-CG 3.31Å; K343-D347 IonicContact NZ-OD1 3.37Å; K343-D347 PolarHBondContact NZ-OD1 3.01Å; K343-D347 IonicContact NZ-OD2 3.82Å; K343-D347 PolarHBondContact NZ-OD2 3.3Å; K343-D347 VanDerWaalsContact O-CB 3.3Å; K343-D347 WeakPolarHBondContact O-CB 3.45Å; K343-D347 PolarHBondContact O-N 2.66Å; K343-V368 HydrophobicContact CB-CB 4.19Å; K343-V368 HydrophobicContact CB-CG2 4.3Å
344R97.7Very high97Very high169 Ų16959.1 Ų59.164%0.63827%0.265SS*.Hα-helixtrans-59.9-45.4175.7-177-178.7179-166.8-3.3111.5R340 D341 I342 N348R340-R344 WeakPolarHBondContact O-CB 3.49Å; R340-R344 PolarHBondContact O-N 3.23Å; D341-R344 WeakPolarHBondContact O-CB 3.47Å; D341-R344 PolarHBondContact O-N 2.85Å; I342-R344 VanDerWaalsContact C-N 3.29Å; I342-R344 PolarHBondContact O-N 3.48Å; R344-N348 VanDerWaalsContact O-CB 3.26Å; R344-N348 WeakPolarHBondContact O-CB 3.37Å; R344-N348 PolarHBondContact O-N 3.18Å; R344-N348 PolarHBondContact O-ND2 3.04Å
345N97.1Very high96.9Very high39 Ų3964.1 Ų64.121%0.20929%0.289CS..Hα-helixtrans-61.2-47.1177.9-69.9-9000111.9D301 D341 I342 K343 N348 R349D301-N345 PolarHBondContact OD1-ND2 3.35Å; D341-N345 PolarHBondContact O-N 3.23Å; I342-N345 WeakPolarHBondContact O-CB 3.27Å; I342-N345 PolarHBondContact O-N 3.02Å; I342-N345 VanDerWaalsContact O-N 3.17Å; K343-N345 PolarHBondContact O-N 2.92Å; N345-N348 PolarHBondContact O-N 3.08Å; N345-R349 PolarHBondContact O-N 2.91Å
346V97.5Very high96.8Very high0 Ų069.8 Ų69.80%032%0.318CS..Hα-helixtrans-62.8-50.7178.8176.10000110.9Y319 I342 K343 N348 R349 L350 I366 V368Y319-V346 HydrophobicContact CD1-CG2 4.11Å; Y319-V346 HydrophobicContact CE1-CG2 3.51Å; Y319-V346 HydrophobicContact CE2-CG2 4.45Å; I342-V346 HydrophobicContact CG2-CG2 4.28Å; I342-V346 VanDerWaalsContact O-CG2 3.3Å; I342-V346 WeakPolarHBondContact O-CG2 3.24Å; I342-V346 PolarHBondContact O-N 3.37Å; K343-V346 PolarHBondContact O-N 3.41Å; V346-N348 VanDerWaalsContact C-N 3.33Å; V346-N348 PolarHBondContact O-N 3.19Å; V346-R349 PolarHBondContact O-N 3.38Å; V346-R349 VanDerWaalsContact O-N 3.16Å; V346-L350 HydrophobicContact CG1-CD1 4.24Å; V346-L350 HydrophobicContact CG1-CG 4.41Å; V346-L350 WeakPolarHBondContact O-CG 3.43Å; V346-L350 PolarHBondContact O-N 3.41Å; V346-I366 HydrophobicContact CG1-CB 3.71Å; V346-I366 HydrophobicContact CG1-CD1 3.74Å; V346-I366 HydrophobicContact CG1-CG1 4.24Å; V346-I366 HydrophobicContact CG1-CG2 4.06Å; V346-V368 HydrophobicContact CG2-CG2 4.27Å
347D97.3Very high96.6Very high55 Ų5564.3 Ų64.329%0.29430%0.303SS..Hα-helixtrans-62.3-40.5-178.8-70-15.3000111.3K343 R349 L350 K351K343-D347 WeakPolarHBondContact CE-OD2 3.32Å; K343-D347 VanDerWaalsContact CG-OD2 3.31Å; K343-D347 WeakPolarHBondContact CG-OD2 3.42Å; K343-D347 VanDerWaalsContact NZ-CG 3.31Å; K343-D347 IonicContact NZ-OD1 3.37Å; K343-D347 PolarHBondContact NZ-OD1 3.01Å; K343-D347 IonicContact NZ-OD2 3.82Å; K343-D347 PolarHBondContact NZ-OD2 3.3Å; K343-D347 VanDerWaalsContact O-CB 3.3Å; K343-D347 WeakPolarHBondContact O-CB 3.45Å; K343-D347 PolarHBondContact O-N 2.66Å; D347-R349 PolarHBondContact O-N 3.05Å; D347-L350 PolarHBondContact O-N 2.98Å; D347-K351 WeakPolarHBondContact O-CB 3.42Å; D347-K351 PolarHBondContact O-N 2.85Å
348N96.7Very high96.4Very high90 Ų9066.6 Ų66.648%0.48133%0.333SS..Hα-helixtrans-60.3-44174.4-74.4-17.7000111.9R344 N345 V346 K351 L352R344-N348 VanDerWaalsContact O-CB 3.26Å; R344-N348 WeakPolarHBondContact O-CB 3.37Å; R344-N348 PolarHBondContact O-N 3.18Å; R344-N348 PolarHBondContact O-ND2 3.04Å; N345-N348 PolarHBondContact O-N 3.08Å; V346-N348 VanDerWaalsContact C-N 3.33Å; V346-N348 PolarHBondContact O-N 3.19Å; N348-K351 PolarHBondContact O-N 3.48Å; N348-L352 WeakPolarHBondContact O-CB 3.43Å; N348-L352 PolarHBondContact O-N 3.23Å
349R96.3Very high96Very high61 Ų6168.8 Ų68.823%0.2336%0.355CS..Hα-helixtrans-64.2-42176.9177.1174.157.5-1135.9112.1D304 Q308 Y319 N345 V346 D347 L352 T353D304-R349 VanDerWaalsContact CG-NH1 3.28Å; D304-R349 IonicContact OD1-CZ 3.69Å; D304-R349 IonicContact OD1-NH1 2.81Å; D304-R349 PolarHBondContact OD1-NH1 2.99Å; D304-R349 VanDerWaalsContact OD1-NH1 3.09Å; D304-R349 IonicContact OD1-NH2 2.76Å; D304-R349 PolarHBondContact OD1-NH2 3.38Å; D304-R349 IonicContact OD2-CZ 2.69Å; D304-R349 IonicContact OD2-NH1 3.85Å; D304-R349 PolarHBondContact OD2-NH1 2.97Å; D304-R349 IonicContact OD2-NH2 3.42Å; Q308-R349 VanDerWaalsContact NE2-NE 3.17Å; Y319-R349 PolarHBondContact OH-NH2 2.98Å; N345-R349 PolarHBondContact O-N 2.91Å; V346-R349 PolarHBondContact O-N 3.38Å; V346-R349 VanDerWaalsContact O-N 3.16Å; D347-R349 PolarHBondContact O-N 3.05Å; R349-L352 PolarHBondContact O-N 3.41Å; R349-T353 PolarHBondContact O-N 2.84Å; R349-T353 VanDerWaalsContact O-N 3.14Å; R349-T353 PolarHBondContact O-OG1 2.84Å
350L95.5Very high95.6Very high28 Ų2876.5 Ų76.515%0.14738%0.382CS..Hα-helixtrans-65.3-42.2177.3-63.8-177.4000111.2V346 D347 T353 E354 P363 I366V346-L350 HydrophobicContact CG1-CD1 4.24Å; V346-L350 HydrophobicContact CG1-CG 4.41Å; V346-L350 WeakPolarHBondContact O-CG 3.43Å; V346-L350 PolarHBondContact O-N 3.41Å; D347-L350 PolarHBondContact O-N 2.98Å; L350-T353 WeakPolarHBondContact O-CB 3.34Å; L350-T353 PolarHBondContact O-N 3.4Å; L350-E354 PolarHBondContact O-N 3.19Å; L350-E354 VanDerWaalsContact O-N 3.08Å; L350-P363 HydrophobicContact CB-CB 4.38Å; L350-P363 HydrophobicContact CD2-CB 3.72Å; L350-P363 HydrophobicContact CD2-CG 4.35Å; L350-P363 HydrophobicContact CG-CB 4.45Å; L350-I366 HydrophobicContact CD1-CB 4.47Å; L350-I366 HydrophobicContact CD1-CD1 4.25Å; L350-I366 HydrophobicContact CD1-CG1 4.16Å; L350-I366 HydrophobicContact CD2-CD1 4.19Å
351K95.5Very high95.2Very high120 Ų12075 Ų7552%0.52238%0.384SS..Hα-helixtrans-60.9-46.3176.3-168.5-171.6-176.2-121.40111.8D347 N348 T353 E354 E355D347-K351 WeakPolarHBondContact O-CB 3.42Å; D347-K351 PolarHBondContact O-N 2.85Å; N348-K351 PolarHBondContact O-N 3.48Å; K351-T353 PolarHBondContact O-N 3.3Å; K351-E354 PolarHBondContact O-N 2.89Å; K351-E354 VanDerWaalsContact O-N 3.14Å; K351-E355 WeakPolarHBondContact CE-OE1 3.1Å; K351-E355 IonicContact NZ-OE1 2.8Å; K351-E355 PolarHBondContact NZ-OE1 2.82Å; K351-E355 WeakPolarHBondContact O-CG 3.37Å; K351-E355 PolarHBondContact O-N 2.98Å
352L95.4Very high94.9Very high91 Ų9181.8 Ų81.848%0.47641%0.413SS..Hα-helixtrans-58.5-37.6176.4-178.763.3000111.6N348 R349 E355 L356N348-L352 WeakPolarHBondContact O-CB 3.43Å; N348-L352 PolarHBondContact O-N 3.23Å; R349-L352 PolarHBondContact O-N 3.41Å; L352-E355 PolarHBondContact O-N 3.43Å; L352-L356 HydrophobicContact CD1-CD1 4.14Å; L352-L356 HydrophobicContact CD1-CG 4.15Å; L352-L356 HydrophobicContact CG-CD1 3.9Å; L352-L356 HydrophobicContact CG-CG 4.33Å; L352-L356 WeakPolarHBondContact O-CB 3.22Å; L352-L356 WeakPolarHBondContact O-CG 3.42Å; L352-L356 PolarHBondContact O-N 2.75Å
353T93.9Very high94.6Very high55 Ų5583.6 Ų83.634%0.33743%0.425SS..Hα-helixtrans-66.4-41.7176.7-550000112R349 L350 K351 T357 P363R349-T353 PolarHBondContact O-N 2.84Å; R349-T353 VanDerWaalsContact O-N 3.14Å; R349-T353 PolarHBondContact O-OG1 2.84Å; L350-T353 WeakPolarHBondContact O-CB 3.34Å; L350-T353 PolarHBondContact O-N 3.4Å; K351-T353 PolarHBondContact O-N 3.3Å; T353-T357 VanDerWaalsContact O-CG2 3.31Å; T353-T357 WeakPolarHBondContact O-CG2 3.23Å; T353-T357 PolarHBondContact O-N 2.9Å; T353-T357 VanDerWaalsContact O-N 3.14Å; T353-T357 PolarHBondContact O-OG1 2.76Å; T353-P363 HydrophobicContact CG2-CG 4.04Å
354E94.9Very high94.4Very high64 Ų6488.3 Ų88.330%0.29945%0.445SS..Hα-helixtrans-64.1-43.9175.6-173.4172.6-162.300111.2L350 K351 T357 G358 G359 K362L350-E354 PolarHBondContact O-N 3.19Å; L350-E354 VanDerWaalsContact O-N 3.08Å; K351-E354 PolarHBondContact O-N 2.89Å; K351-E354 VanDerWaalsContact O-N 3.14Å; E354-T357 PolarHBondContact O-N 2.88Å; E354-T357 PolarHBondContact O-OG1 3.5Å; E354-G358 PolarHBondContact O-N 2.9Å; E354-G359 PolarHBondContact O-N 3.4Å; E354-K362 WeakPolarHBondContact OE1-CE 3.39Å; E354-K362 IonicContact OE1-NZ 3.94Å
355E95.2Very high94.2Very high109 Ų10983.8 Ų83.851%0.50944%0.439SS..Hα-helixtrans-61.4-48.6176.7-71.4174.5-176.700111.7K351 L352 T357 G358K351-E355 WeakPolarHBondContact CE-OE1 3.1Å; K351-E355 IonicContact NZ-OE1 2.8Å; K351-E355 PolarHBondContact NZ-OE1 2.82Å; K351-E355 WeakPolarHBondContact O-CG 3.37Å; K351-E355 PolarHBondContact O-N 2.98Å; L352-E355 PolarHBondContact O-N 3.43Å; E355-T357 VanDerWaalsContact C-N 3.26Å; E355-T357 PolarHBondContact O-N 3.27Å; E355-G358 PolarHBondContact O-N 3.29Å; E355-G358 VanDerWaalsContact O-N 3.14Å
356L95.3Very high94.2Very high138 Ų13882.8 Ų82.872%0.72343%0.434SS*.Hα-helixtrans-65.7-26.5-179.9-73.3173.1000113.6L352L352-L356 HydrophobicContact CD1-CD1 4.14Å; L352-L356 HydrophobicContact CD1-CG 4.15Å; L352-L356 HydrophobicContact CG-CD1 3.9Å; L352-L356 HydrophobicContact CG-CG 4.33Å; L352-L356 WeakPolarHBondContact O-CB 3.22Å; L352-L356 WeakPolarHBondContact O-CG 3.42Å; L352-L356 PolarHBondContact O-N 2.75Å
357T94.1Very high94.1Very high44 Ų4488 Ų8827%0.2746%0.462SS..THydrogen-bonded Turntrans-92.42.8177.960.90000113.2T353 E354 E355 G359 R360 V361T353-T357 VanDerWaalsContact O-CG2 3.31Å; T353-T357 WeakPolarHBondContact O-CG2 3.23Å; T353-T357 PolarHBondContact O-N 2.9Å; T353-T357 VanDerWaalsContact O-N 3.14Å; T353-T357 PolarHBondContact O-OG1 2.76Å; E354-T357 PolarHBondContact O-N 2.88Å; E354-T357 PolarHBondContact O-OG1 3.5Å; E355-T357 VanDerWaalsContact C-N 3.26Å; E355-T357 PolarHBondContact O-N 3.27Å; T357-G359 PolarHBondContact O-N 3.25Å; T357-R360 WeakPolarHBondContact O-CB 3.38Å; T357-R360 VanDerWaalsContact O-CG 3.29Å; T357-R360 WeakPolarHBondContact O-CG 3.46Å; T357-R360 PolarHBondContact O-N 2.95Å; T357-R360 VanDerWaalsContact O-N 3.12Å; T357-V361 HydrophobicContact CG2-CB 4.07Å; T357-V361 HydrophobicContact CG2-CG2 4.05Å; T357-V361 PolarHBondContact OG1-N 3.49Å; T357-V361 PolarHBondContact OG1-O 3.35Å
358G92.3Very high94.1Very high71 Ų7185.4 Ų85.473%0.73245%0.448SS*.THydrogen-bonded Turntrans59.432.2-176.100000112.6E354 E355 R360E354-G358 PolarHBondContact O-N 2.9Å; E355-G358 PolarHBondContact O-N 3.29Å; E355-G358 VanDerWaalsContact O-N 3.14Å; G358-R360 VanDerWaalsContact C-N 3.27Å; G358-R360 PolarHBondContact O-N 2.91Å
359G89.7Confident94.1Very high45 Ų4583.8 Ų83.846%0.46444%0.436SS..THydrogen-bonded Turntrans76.43.4-176.900000115.4E354 T357 V361E354-G359 PolarHBondContact O-N 3.4Å; T357-G359 PolarHBondContact O-N 3.25Å; G359-V361 VanDerWaalsContact C-N 3.28Å; G359-V361 PolarHBondContact O-N 2.94Å
360R89.9Confident94.1Very high233 Ų23380.9 Ų80.988%0.87943%0.426SS*.SBendtrans-65.6-33176.5-67.4177.7-176.5174.62.4112.4T357 G358T357-R360 WeakPolarHBondContact O-CB 3.38Å; T357-R360 VanDerWaalsContact O-CG 3.29Å; T357-R360 WeakPolarHBondContact O-CG 3.46Å; T357-R360 PolarHBondContact O-N 2.95Å; T357-R360 VanDerWaalsContact O-N 3.12Å; G358-R360 VanDerWaalsContact C-N 3.27Å; G358-R360 PolarHBondContact O-N 2.91Å
361V90.7Very high94Very high76 Ų7679.6 Ų79.646%0.46142%0.419SS..  trans-114.5121.6174.4-178.60000107.6T357 G359 P363T357-V361 HydrophobicContact CG2-CB 4.07Å; T357-V361 HydrophobicContact CG2-CG2 4.05Å; T357-V361 PolarHBondContact OG1-N 3.49Å; T357-V361 PolarHBondContact OG1-O 3.35Å; G359-V361 VanDerWaalsContact C-N 3.28Å; G359-V361 PolarHBondContact O-N 2.94Å; V361-P363 WeakPolarHBondContact O-CD 3.45Å
362K91.8Very high93.9Very high162 Ų16275.3 Ų75.370%0.70440%0.404SS*.  trans-111.194.7173.2-168165.2-169.8166.60109.5E354 K364E354-K362 WeakPolarHBondContact OE1-CE 3.39Å; E354-K362 IonicContact OE1-NZ 3.94Å; K362-K364 PolarHBondContact O-N 3.29Å
363P91.4Very high93.8Very high38 Ų3871.5 Ų71.525%0.24738%0.384CS..PPolyproline II helixtrans-59.1133.5-178.5-22.533.3000110.9L350 T353 V361 S365L350-P363 HydrophobicContact CB-CB 4.38Å; L350-P363 HydrophobicContact CD2-CB 3.72Å; L350-P363 HydrophobicContact CD2-CG 4.35Å; L350-P363 HydrophobicContact CG-CB 4.45Å; T353-P363 HydrophobicContact CG2-CG 4.04Å; V361-P363 WeakPolarHBondContact O-CD 3.45Å; P363-S365 PolarHBondContact O-N 2.95Å
364K94.4Very high93.6Very high166 Ų16673.8 Ų73.872%0.72240%0.4SS*.PPolyproline II helixtrans-62.8130.5171.4179.8-179.9-179.2179.90108.8R316 K362R316-K364 PolarHBondContact NH2-O 3Å; K362-K364 PolarHBondContact O-N 3.29Å
365S94.1Very high93.5Very high74 Ų7472.5 Ų72.552%0.51739%0.394SS..PPolyproline II helixtrans-46.6141.5174.9-170.70000111.2R316 P363R316-S365 PolarHBondContact NH1-O 2.79Å; P363-S365 PolarHBondContact O-N 2.95Å
366I96.2Very high93.4Very high18 Ų1867.8 Ų67.89%0.09237%0.372CS..PPolyproline II helixtrans-99130173.6-66.8169.8000106.7Y319 V346 L350 V368Y319-I366 HydrophobicContact CD2-CG2 3.58Å; Y319-I366 HydrophobicContact CE2-CD1 4.49Å; Y319-I366 HydrophobicContact CE2-CG2 4.36Å; Y319-I366 HydrophobicContact CG-CG2 3.77Å; V346-I366 HydrophobicContact CG1-CB 3.71Å; V346-I366 HydrophobicContact CG1-CD1 3.74Å; V346-I366 HydrophobicContact CG1-CG1 4.24Å; V346-I366 HydrophobicContact CG1-CG2 4.06Å; L350-I366 HydrophobicContact CD1-CB 4.47Å; L350-I366 HydrophobicContact CD1-CD1 4.25Å; L350-I366 HydrophobicContact CD1-CG1 4.16Å; L350-I366 HydrophobicContact CD2-CD1 4.19Å; I366-V368 HydrophobicContact CG2-CG2 4.35Å
367D95.7Very high93.3Very high111 Ų11167.7 Ų67.759%0.59436%0.362SS*.PPolyproline II helixtrans-83.1135.6171.3-166.520.2000108.7Y319Y319-D367 CarbonylContact C-O 3.53Å; Y319-D367 WeakPolarHBondContact CB-O 3.37Å
368V97.4Very high93.4Very high0 Ų066.5 Ų66.50%035%0.353CS..  trans-123.6117.9-179179.20000107.1Y319 I322 Q339 I342 K343 V346 I366Y319-V368 HydrophobicContact CD1-CG2 4.13Å; Y319-V368 HydrophobicContact CG-CG2 4.46Å; Y319-V368 WeakPolarHBondContact O-CA 3.42Å; I322-V368 HydrophobicContact CD1-CG1 4.07Å; Q339-V368 VanDerWaalsContact CD-O 3.24Å; Q339-V368 HydrophobicContact CG-CG1 4.3Å; Q339-V368 VanDerWaalsContact CG-O 3.28Å; Q339-V368 WeakPolarHBondContact CG-O 3.31Å; Q339-V368 PolarHBondContact NE2-O 2.77Å; I342-V368 HydrophobicContact CB-CG1 4.02Å; I342-V368 HydrophobicContact CG2-CG1 3.66Å; I342-V368 HydrophobicContact CG2-CG2 4.36Å; K343-V368 HydrophobicContact CB-CB 4.19Å; K343-V368 HydrophobicContact CB-CG2 4.3Å; V346-V368 HydrophobicContact CG2-CG2 4.27Å; I366-V368 HydrophobicContact CG2-CG2 4.35Å
369K96.5Very high93.6Very high55 Ų5563.2 Ų63.224%0.23932%0.318CS..  trans-131.9114.1-173.3-173.6175.7-175.9171.90110.1R160 Y319 G320 I322 V371R160-K369 WeakPolarHBondContact O-CE 3.42Å; R160-K369 PolarHBondContact O-NZ 3.33Å; Y319-K369 PolarHBondContact O-N 3.03Å; G320-K369 WeakPolarHBondContact O-CB 3.23Å; I322-K369 WeakPolarHBondContact CB-O 3.4Å; I322-K369 PolarHBondContact N-O 2.74Å; K369-V371 HydrophobicContact CG-CG2 4.42Å
370V96.5Very high93.9Very high1 Ų161.3 Ų61.31%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-98.1122173.2-176.90000108.7I322 L324 D335 L338 Q339I322-V370 HydrophobicContact CB-CG2 4.14Å; I322-V370 HydrophobicContact CD1-CG2 4.29Å; I322-V370 HydrophobicContact CG2-CG2 4.25Å; I322-V370 CarbonylContact O-C 3.51Å; I322-V370 WeakPolarHBondContact O-CA 3.46Å; L324-V370 HydrophobicContact CD1-CG1 3.99Å; L324-V370 HydrophobicContact CD2-CG1 3.89Å; L324-V370 HydrophobicContact CG-CG1 3.82Å; D335-V370 HydrophobicContact CB-CG1 4.06Å; L338-V370 HydrophobicContact CB-CG2 4.13Å; Q339-V370 HydrophobicContact CB-CB 4.04Å; Q339-V370 HydrophobicContact CB-CG2 3.66Å; Q339-V370 HydrophobicContact CG-CG2 4.3Å
371V94.2Very high94.3Very high1 Ų150.2 Ų50.21%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-98.3108.9-176.1-175.20000108.9T161 I322 V323 L324 K369T161-V371 HydrophobicContact CG2-CG1 4.12Å; T161-V371 HydrophobicContact CG2-CG2 4.09Å; I322-V371 PolarHBondContact O-N 2.97Å; V323-V371 HydrophobicContact CG2-CB 4.26Å; L324-V371 PolarHBondContact N-O 3.35Å; K369-V371 HydrophobicContact CG-CG2 4.42Å
372S92.8Very high94.6Very high29 Ų2947.8 Ų47.820%0.20324%0.239CC..  trans-95.5145.2161.6530000109.8D335D335-S372 PolarHBondContact OD2-OG 3Å
373H92.2Very high94.7Very high12 Ų1240 Ų406%0.05621%0.205CC..  trans-149.7159.1-179.867.5101.2000111.9M375 Q376H373-M375 VanDerWaalsContact C-N 3.27Å; H373-M375 VanDerWaalsContact CE1-C 3.48Å; H373-M375 PolarHBondContact ND1-N 3.49Å; H373-M375 PolarHBondContact O-N 3.07Å; H373-Q376 PolarHBondContact CE1-N 3.16Å; H373-Q376 WeakPolarHBondContact O-CB 3.35Å; H373-Q376 PolarHBondContact O-N 2.99Å
374P90.7Very high95Very high103 Ų10338.2 Ų38.267%0.66919%0.194SC*.G310 helixtrans-60.7-32.5-174.5-25.735.8000114.5Q376P374-Q376 PolarHBondContact O-N 3.31Å
375M92.1Very high95.1Very high36 Ų3630.4 Ų30.418%0.17716%0.16CC..G310 helixtrans-83.64.7-177.9-52.7-55161.900113.6T25 H373 R377 Y378 A379 F382T25-M375 HydrophobicContact CG2-CE 3.42Å; T25-M375 VanDerWaalsContact CG2-CE 3.42Å; T25-M375 HydrophobicContact CG2-SD 3.95Å; H373-M375 VanDerWaalsContact C-N 3.27Å; H373-M375 VanDerWaalsContact CE1-C 3.48Å; H373-M375 PolarHBondContact ND1-N 3.49Å; H373-M375 PolarHBondContact O-N 3.07Å; M375-R377 PolarHBondContact O-N 3.43Å; M375-R377 VanDerWaalsContact O-N 3.09Å; M375-Y378 HydrophobicContact CB-CE2 4.2Å; M375-Y378 HydrophobicContact CG-CE2 4.49Å; M375-Y378 CarbonylContact O-C 3.51Å; M375-Y378 PolarHBondContact O-N 3.13Å; M375-Y378 VanDerWaalsContact O-N 3.09Å; M375-Y378 HydrophobicContact SD-CE2 3.66Å; M375-Y378 PolarHBondContact SD-OH 2.98Å; M375-A379 VanDerWaalsContact O-CA 3.26Å; M375-A379 WeakPolarHBondContact O-CA 3.33Å; M375-A379 PolarHBondContact O-N 3.37Å; M375-F382 HydrophobicContact CB-CB 4.21Å; M375-F382 HydrophobicContact CB-CD1 3.78Å; M375-F382 HydrophobicContact CB-CE1 4.35Å; M375-F382 HydrophobicContact CB-CG 3.97Å; M375-F382 HydrophobicContact CG-CD1 3.78Å; M375-F382 HydrophobicContact CG-CD2 4.24Å; M375-F382 HydrophobicContact CG-CE1 3.91Å; M375-F382 HydrophobicContact CG-CE2 4.36Å; M375-F382 HydrophobicContact CG-CG 3.95Å; M375-F382 HydrophobicContact CG-CZ 4.2Å
376Q93.1Very high95.1Very high10 Ų1029.2 Ų29.25%0.04715%0.149CC..G310 helixtrans-55.1-32.6-172.2177.2177.1-26.700113.8L324 G326 S329 M330 H373 P374 Y378 A379L324-Q376 HydrophobicContact CB-CG 4.13Å; G326-Q376 PolarHBondContact N-O 3.37Å; S329-Q376 VanDerWaalsContact CB-NE2 3.32Å; S329-Q376 PolarHBondContact O-NE2 2.88Å; S329-Q376 WeakPolarHBondContact OG-CG 3.32Å; S329-Q376 PolarHBondContact OG-NE2 2.77Å; M330-Q376 HydrophobicContact SD-CB 3.59Å; M330-Q376 VanDerWaalsContact SD-CB 3.59Å; M330-Q376 HydrophobicContact SD-CG 3.65Å; H373-Q376 PolarHBondContact CE1-N 3.16Å; H373-Q376 WeakPolarHBondContact O-CB 3.35Å; H373-Q376 PolarHBondContact O-N 2.99Å; P374-Q376 PolarHBondContact O-N 3.31Å; Q376-Y378 VanDerWaalsContact C-N 3.27Å; Q376-Y378 PolarHBondContact O-N 3.48Å; Q376-A379 PolarHBondContact O-N 3.38Å
377R94.1Very high94.9Very high136 Ų13628.7 Ų28.751%0.51315%0.147SC..G310 helixtrans-59.4-36179.4-170.9179.6-145.4-179.96.1113.2M330 M375M330-R377 HydrophobicContact CE-CB 4.28Å; M330-R377 HydrophobicContact CG-CB 4.16Å; M330-R377 HydrophobicContact CG-CG 4.49Å; M330-R377 HydrophobicContact SD-CB 3.99Å; M330-R377 PolarHBondContact SD-N 3Å; M330-R377 VanDerWaalsContact SD-N 3.37Å; M375-R377 PolarHBondContact O-N 3.43Å; M375-R377 VanDerWaalsContact O-N 3.09Å
378Y95.4Very high94.9Very high20 Ų2023.4 Ų23.48%0.07812%0.119CC..G310 helixtrans-133.235.2-177.747.8-102.5000110.2T25 E26 P27 M375 Q376 V380 W381 F382T25-Y378 WeakPolarHBondContact O-CE2 3.46Å; E26-Y378 VanDerWaalsContact CG-OH 3.29Å; E26-Y378 WeakPolarHBondContact CG-OH 3.26Å; E26-Y378 PolarHBondContact OE1-OH 3.4Å; P27-Y378 HydrophobicContact CG-CD2 4.42Å; P27-Y378 HydrophobicContact CG-CG 4.14Å; M375-Y378 HydrophobicContact CB-CE2 4.2Å; M375-Y378 HydrophobicContact CG-CE2 4.49Å; M375-Y378 CarbonylContact O-C 3.51Å; M375-Y378 PolarHBondContact O-N 3.13Å; M375-Y378 VanDerWaalsContact O-N 3.09Å; M375-Y378 HydrophobicContact SD-CE2 3.66Å; M375-Y378 PolarHBondContact SD-OH 2.98Å; Q376-Y378 VanDerWaalsContact C-N 3.27Å; Q376-Y378 PolarHBondContact O-N 3.48Å; Y378-V380 VanDerWaalsContact C-N 3.27Å; Y378-V380 PolarHBondContact O-N 3Å; Y378-W381 PolarHBondContact O-N 3.31Å; Y378-F382 HydrophobicContact CD2-CB 3.99Å; Y378-F382 HydrophobicContact CE2-CB 4.25Å; Y378-F382 PolarHBondContact O-N 3.11Å
379A96.1Very high94.8Very high1 Ų128.2 Ų28.21%0.00814%0.144CC..Hα-helixtrans-53.3-45.2-173.200000111.9A151 A154 M375 Q376 W381 F382 G383A151-A379 HydrophobicContact CB-CB 4.44Å; A154-A379 HydrophobicContact CB-CB 3.95Å; A154-A379 WeakPolarHBondContact CB-O 3.49Å; M375-A379 VanDerWaalsContact O-CA 3.26Å; M375-A379 WeakPolarHBondContact O-CA 3.33Å; M375-A379 PolarHBondContact O-N 3.37Å; Q376-A379 PolarHBondContact O-N 3.38Å; A379-W381 PolarHBondContact O-N 3.45Å; A379-F382 PolarHBondContact O-N 2.83Å; A379-G383 PolarHBondContact O-N 3.06Å
380V96.8Very high94.6Very high5 Ų530.3 Ų30.33%0.0316%0.155CC..Hα-helixtrans-53.2-55.4174.91770000111.3D11 T116 Q147 L150 Y378 F382 G383 G384D11-V380 HydrophobicContact CB-CG1 4.2Å; T116-V380 HydrophobicContact CG2-CG1 3.66Å; Q147-V380 HydrophobicContact CB-CG1 4.08Å; Q147-V380 HydrophobicContact CB-CG2 3.98Å; Q147-V380 HydrophobicContact CG-CG1 3.77Å; Q147-V380 HydrophobicContact CG-CG2 4.34Å; L150-V380 HydrophobicContact CB-CG1 4.32Å; L150-V380 WeakPolarHBondContact CB-O 3.39Å; L150-V380 HydrophobicContact CD1-CG1 3.88Å; L150-V380 WeakPolarHBondContact CD1-O 3.3Å; Y378-V380 VanDerWaalsContact C-N 3.27Å; Y378-V380 PolarHBondContact O-N 3Å; V380-F382 PolarHBondContact O-N 2.63Å; V380-G383 PolarHBondContact O-N 3.37Å; V380-G384 PolarHBondContact O-N 3.15Å
381W97.8Very high94.3Very high0 Ų034.8 Ų34.80%019%0.186CC..Hα-helixtrans-63.4-42.9-178.8-174.592000111.8V9 D11 K18 N24 E26 P27 Y378 A379 G384 S385V9-W381 HydrophobicContact CB-CZ2 4.38Å; V9-W381 HydrophobicContact CG1-CD2 4.45Å; V9-W381 HydrophobicContact CG1-CG 4.2Å; V9-W381 PolarHBondContact O-NE1 2.95Å; D11-W381 HydrophobicContact CB-CB 4.07Å; K18-W381 HydrophobicContact CB-CB 4.11Å; K18-W381 HydrophobicContact CB-CG 4.01Å; N24-W381 HydrophobicContact CB-CH2 4.02Å; N24-W381 WeakPolarHBondContact O-CZ3 3.35Å; E26-W381 VanDerWaalsContact C-CH2 3.48Å; E26-W381 VanDerWaalsContact O-CH2 3.26Å; E26-W381 WeakPolarHBondContact O-CH2 3.21Å; E26-W381 WeakPolarHBondContact O-CZ3 3.14Å; P27-W381 HydrophobicContact CB-CD2 3.89Å; P27-W381 HydrophobicContact CB-CE3 4.2Å; P27-W381 HydrophobicContact CB-CG 4.31Å; P27-W381 HydrophobicContact CB-CZ2 4.29Å; P27-W381 HydrophobicContact CG-CB 4.37Å; P27-W381 HydrophobicContact CG-CD2 3.57Å; P27-W381 HydrophobicContact CG-CE3 3.62Å; P27-W381 HydrophobicContact CG-CG 3.89Å; P27-W381 HydrophobicContact CG-CZ3 4.25Å; P27-W381 VanDerWaalsContact N-CZ3 3.3Å; Y378-W381 PolarHBondContact O-N 3.31Å; A379-W381 PolarHBondContact O-N 3.45Å; W381-G384 CarbonylContact O-C 3.33Å; W381-G384 PolarHBondContact O-N 2.9Å; W381-S385 PolarHBondContact O-N 3.23Å
382F97.1Very high94.3Very high25 Ų2538.3 Ų38.311%0.1120%0.203CC..Hα-helixtrans-63.4-44.5178.4174.6-107.7000111.9T25 A154 C157 M375 Y378 A379 V380 G384 S385 V386T25-F382 HydrophobicContact CG2-CD2 4.35Å; T25-F382 HydrophobicContact CG2-CE2 3.96Å; T25-F382 VanDerWaalsContact O-CD2 3.31Å; T25-F382 WeakPolarHBondContact O-CD2 3.38Å; A154-F382 HydrophobicContact CB-CD1 3.77Å; C157-F382 HydrophobicContact CB-CE1 4.07Å; C157-F382 HydrophobicContact CB-CZ 4.43Å; M375-F382 HydrophobicContact CB-CB 4.21Å; M375-F382 HydrophobicContact CB-CD1 3.78Å; M375-F382 HydrophobicContact CB-CE1 4.35Å; M375-F382 HydrophobicContact CB-CG 3.97Å; M375-F382 HydrophobicContact CG-CD1 3.78Å; M375-F382 HydrophobicContact CG-CD2 4.24Å; M375-F382 HydrophobicContact CG-CE1 3.91Å; M375-F382 HydrophobicContact CG-CE2 4.36Å; M375-F382 HydrophobicContact CG-CG 3.95Å; M375-F382 HydrophobicContact CG-CZ 4.2Å; Y378-F382 HydrophobicContact CD2-CB 3.99Å; Y378-F382 HydrophobicContact CE2-CB 4.25Å; Y378-F382 PolarHBondContact O-N 3.11Å; A379-F382 PolarHBondContact O-N 2.83Å; V380-F382 PolarHBondContact O-N 2.63Å; F382-G384 VanDerWaalsContact C-N 3.28Å; F382-G384 PolarHBondContact O-N 3.11Å; F382-S385 WeakPolarHBondContact O-CB 3.45Å; F382-S385 PolarHBondContact O-N 2.78Å; F382-S385 VanDerWaalsContact O-N 3.16Å; F382-V386 HydrophobicContact CD1-CG2 4.46Å; F382-V386 HydrophobicContact CD2-CG2 4.33Å; F382-V386 HydrophobicContact CE1-CG2 4.01Å; F382-V386 HydrophobicContact CE2-CG2 3.86Å; F382-V386 HydrophobicContact CZ-CG2 3.69Å; F382-V386 WeakPolarHBondContact O-CG2 3.39Å; F382-V386 PolarHBondContact O-N 3.25Å
383G95.1Very high94.4Very high0 Ų037 Ų370%019%0.193CC..Hα-helixtrans-59.2-41.2173.900000111.8L150 A379 V380 V386 L387L150-G383 WeakPolarHBondContact O-CA 3.47Å; A379-G383 PolarHBondContact O-N 3.06Å; V380-G383 PolarHBondContact O-N 3.37Å; G383-V386 PolarHBondContact O-N 2.8Å; G383-L387 WeakPolarHBondContact O-CB 3.45Å; G383-L387 WeakPolarHBondContact O-CG 3.41Å; G383-L387 PolarHBondContact O-N 3.39Å
384G96.5Very high94.5Very high0 Ų038.6 Ų38.60%020%0.199CC..Hα-helixtrans-61.6-44.5172.200000112.9V380 W381 F382 V386 L387 A388V380-G384 PolarHBondContact O-N 3.15Å; W381-G384 CarbonylContact O-C 3.33Å; W381-G384 PolarHBondContact O-N 2.9Å; F382-G384 VanDerWaalsContact C-N 3.28Å; F382-G384 PolarHBondContact O-N 3.11Å; G384-V386 PolarHBondContact O-N 3.41Å; G384-L387 PolarHBondContact O-N 3.3Å; G384-A388 WeakPolarHBondContact O-CB 3.35Å; G384-A388 PolarHBondContact O-N 3.33Å
385S96.8Very high94.7Very high1 Ų140.2 Ų40.21%0.00720%0.202CC..Hα-helixtrans-62.3-39.8177.6-178.20000112.9G23 N24 W381 F382 N389G23-S385 PolarHBondContact N-O 2.93Å; G23-S385 PolarHBondContact N-OG 2.81Å; N24-S385 PolarHBondContact N-OG 3.19Å; N24-S385 WeakPolarHBondContact O-CB 3.41Å; N24-S385 PolarHBondContact O-OG 3.02Å; W381-S385 PolarHBondContact O-N 3.23Å; F382-S385 WeakPolarHBondContact O-CB 3.45Å; F382-S385 PolarHBondContact O-N 2.78Å; F382-S385 VanDerWaalsContact O-N 3.16Å; S385-N389 WeakPolarHBondContact O-CB 3.41Å; S385-N389 PolarHBondContact O-N 3.11Å
386V93.7Very high94.9Very high50 Ų5039.6 Ų39.630%0.30320%0.2SC..Hα-helixtrans-66.7-50.8175.4172.40000110.4F382 G383 G384 N389F382-V386 HydrophobicContact CD1-CG2 4.46Å; F382-V386 HydrophobicContact CD2-CG2 4.33Å; F382-V386 HydrophobicContact CE1-CG2 4.01Å; F382-V386 HydrophobicContact CE2-CG2 3.86Å; F382-V386 HydrophobicContact CZ-CG2 3.69Å; F382-V386 WeakPolarHBondContact O-CG2 3.39Å; F382-V386 PolarHBondContact O-N 3.25Å; G383-V386 PolarHBondContact O-N 2.8Å; G384-V386 PolarHBondContact O-N 3.41Å; V386-N389 PolarHBondContact O-N 2.78Å
387L93Very high95.1Very high7 Ų739.4 Ų39.44%0.03720%0.2CC..Hα-helixtrans-65.7-42-177.6-71.9-176.5000112.5L150 G383 G384 N389 E390 F393 F417L150-L387 HydrophobicContact CD2-CD1 3.61Å; G383-L387 WeakPolarHBondContact O-CB 3.45Å; G383-L387 WeakPolarHBondContact O-CG 3.41Å; G383-L387 PolarHBondContact O-N 3.39Å; G384-L387 PolarHBondContact O-N 3.3Å; L387-N389 PolarHBondContact O-N 3.39Å; L387-E390 WeakPolarHBondContact O-CB 3.24Å; L387-E390 PolarHBondContact O-N 3.36Å; L387-E390 VanDerWaalsContact O-N 3.12Å; L387-F393 WeakPolarHBondContact O-CB 3.28Å; L387-F417 HydrophobicContact CB-CE2 4.07Å; L387-F417 HydrophobicContact CB-CZ 3.74Å; L387-F417 HydrophobicContact CD1-CZ 4.42Å; L387-F417 HydrophobicContact CD2-CE2 4.21Å; L387-F417 HydrophobicContact CD2-CZ 4.49Å; L387-F417 HydrophobicContact CG-CZ 4.45Å
388A95.7Very high95.3Very high0 Ų034 Ų340%018%0.181CC..THydrogen-bonded Turntrans-70.8-9.5179.500000113.8A7 V9 A22 L114 G384 F393A7-A388 HydrophobicContact CB-CB 4.08Å; V9-A388 HydrophobicContact CG2-CB 4.06Å; A22-A388 HydrophobicContact CB-CB 3.7Å; L114-A388 HydrophobicContact CB-CB 4.35Å; L114-A388 HydrophobicContact CD1-CB 3.95Å; G384-A388 WeakPolarHBondContact O-CB 3.35Å; G384-A388 PolarHBondContact O-N 3.33Å; A388-F393 HydrophobicContact CB-CD1 4.2Å; A388-F393 HydrophobicContact CB-CD2 4.12Å; A388-F393 HydrophobicContact CB-CE1 4.11Å; A388-F393 HydrophobicContact CB-CE2 4Å; A388-F393 HydrophobicContact CB-CG 4.2Å; A388-F393 HydrophobicContact CB-CZ 3.99Å
389N94.1Very high95.4Very high101 Ų10134.8 Ų34.854%0.5419%0.187SC..THydrogen-bonded Turntrans-91-10.1173.7-170.272.3000112.8A22 S385 V386 L387A22-N389 HydrophobicContact CB-CB 4.49Å; S385-N389 WeakPolarHBondContact O-CB 3.41Å; S385-N389 PolarHBondContact O-N 3.11Å; V386-N389 PolarHBondContact O-N 2.78Å; L387-N389 PolarHBondContact O-N 3.39Å
390E91.9Very high95.5Very high99 Ų9937.1 Ų37.146%0.46320%0.197SC..SBendtrans-79.9147175.9-66.9-64.216100111.3L387 E392 F393L387-E390 WeakPolarHBondContact O-CB 3.24Å; L387-E390 PolarHBondContact O-N 3.36Å; L387-E390 VanDerWaalsContact O-N 3.12Å; E390-E392 PolarHBondContact O-N 3.34Å; E390-F393 VanDerWaalsContact O-CB 3.27Å; E390-F393 WeakPolarHBondContact O-CB 3.38Å; E390-F393 PolarHBondContact O-N 3.01Å; E390-F393 VanDerWaalsContact O-N 3.17Å
391S91.6Very high95.6Very high95 Ų9539.8 Ų39.866%0.66422%0.22SC*.THydrogen-bonded Turntrans-63.5-28178.555.40000113.1F393S391-F393 PolarHBondContact O-N 3.31Å
392E92.8Very high95.6Very high75 Ų7543.4 Ų43.435%0.3524%0.237SC..THydrogen-bonded Turntrans-64.1-29.1178.5-170.6177.4-162.700112.3E390 Y394 N395 V396 F417 G418E390-E392 PolarHBondContact O-N 3.34Å; E392-Y394 VanDerWaalsContact C-N 3.31Å; E392-Y394 PolarHBondContact O-N 3.2Å; E392-N395 WeakPolarHBondContact O-CB 3.39Å; E392-N395 PolarHBondContact O-N 3.28Å; E392-V396 HydrophobicContact CG-CG1 4.48Å; E392-V396 PolarHBondContact O-N 3.23Å; E392-F417 HydrophobicContact CB-CD2 4.11Å; E392-F417 HydrophobicContact CG-CB 4.17Å; E392-F417 HydrophobicContact CG-CD2 4.02Å; E392-F417 HydrophobicContact CG-CG 4.44Å; E392-G418 PolarHBondContact OE2-N 2.93Å
393F95.5Very high95.6Very high0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-53-47.5179.1171.4-109.3000112.4A7 L114 Y143 L387 A388 E390 S391 N395 V396 C397 F417A7-F393 HydrophobicContact CB-CD1 4.3Å; A7-F393 HydrophobicContact CB-CE1 3.52Å; A7-F393 HydrophobicContact CB-CZ 4.11Å; L114-F393 HydrophobicContact CB-CE2 4Å; L114-F393 HydrophobicContact CB-CZ 4.07Å; L114-F393 HydrophobicContact CD1-CE2 3.97Å; L114-F393 HydrophobicContact CG-CE2 4.3Å; Y143-F393 HydrophobicContact CG-CE2 4.22Å; L387-F393 WeakPolarHBondContact O-CB 3.28Å; A388-F393 HydrophobicContact CB-CD1 4.2Å; A388-F393 HydrophobicContact CB-CD2 4.12Å; A388-F393 HydrophobicContact CB-CE1 4.11Å; A388-F393 HydrophobicContact CB-CE2 4Å; A388-F393 HydrophobicContact CB-CG 4.2Å; A388-F393 HydrophobicContact CB-CZ 3.99Å; E390-F393 VanDerWaalsContact O-CB 3.27Å; E390-F393 WeakPolarHBondContact O-CB 3.38Å; E390-F393 PolarHBondContact O-N 3.01Å; E390-F393 VanDerWaalsContact O-N 3.17Å; S391-F393 PolarHBondContact O-N 3.31Å; F393-N395 PolarHBondContact O-N 3.46Å; F393-V396 WeakPolarHBondContact O-CG2 3.2Å; F393-V396 PolarHBondContact O-N 3.39Å; F393-V396 VanDerWaalsContact O-N 3.14Å; F393-C397 VanDerWaalsContact CE2-SG 3.51Å; F393-C397 WeakPolarHBondContact CZ-SG 3.17Å; F393-C397 PolarHBondContact O-N 3.23Å; F393-C397 PolarHBondContact O-SG 2.62Å; F393-F417 HydrophobicContact CB-CE2 4.08Å; F393-F417 HydrophobicContact CB-CZ 4.01Å; F393-F417 HydrophobicContact CD2-CE1 4.44Å; F393-F417 AromaticContact CD2-CZ 3.87Å; F393-F417 HydrophobicContact CD2-CZ 3.87Å; F393-F417 HydrophobicContact CG-CZ 4.45Å
394Y95.3Very high95.8Very high46 Ų4649.4 Ų49.418%0.1827%0.265CS..Hα-helixtrans-66.9-20.9-178.3-60.2-82.5000113.2H4 L5 Y112 E392H4-Y394 HydrophobicContact CB-CD1 4.19Å; H4-Y394 HydrophobicContact CB-CE1 3.48Å; H4-Y394 VanDerWaalsContact CB-CE1 3.48Å; H4-Y394 AromaticContact CD2-CD1 3.59Å; H4-Y394 AromaticContact CD2-CE1 3.79Å; H4-Y394 AromaticContact CD2-CG 3.88Å; H4-Y394 AromaticContact CG-CD1 3.87Å; H4-Y394 AromaticContact CG-CE1 3.68Å; L5-Y394 PolarHBondContact O-OH 3.5Å; Y112-Y394 AromaticContact CD1-CD1 3.84Å; Y112-Y394 HydrophobicContact CD1-CD1 3.84Å; Y112-Y394 HydrophobicContact CD1-CE1 4.4Å; Y112-Y394 HydrophobicContact CD2-CD1 4.06Å; Y112-Y394 HydrophobicContact CD2-CE1 4.1Å; Y112-Y394 HydrophobicContact CE1-CD1 4.11Å; Y112-Y394 HydrophobicContact CE2-CD1 4.33Å; Y112-Y394 AromaticContact CG-CD1 3.83Å; Y112-Y394 HydrophobicContact CG-CD1 3.83Å; Y112-Y394 AromaticContact CG-CE1 3.95Å; Y112-Y394 HydrophobicContact CG-CE1 3.95Å; E392-Y394 VanDerWaalsContact C-N 3.31Å; E392-Y394 PolarHBondContact O-N 3.2Å
395N94.2Very high95.8Very high137 Ų13757.4 Ų57.473%0.73330%0.302SS*.Hα-helixtrans-82.7-27.1176.4-62.6-31.3000112.6E392 F393E392-N395 WeakPolarHBondContact O-CB 3.39Å; E392-N395 PolarHBondContact O-N 3.28Å; F393-N395 PolarHBondContact O-N 3.46Å
396V95.8Very high95.9Very high24 Ų2462.7 Ų62.715%0.14533%0.329CS..Hα-helixtrans-96.5-14.3-178.8-60.40000113.2Y143 E392 F393 F417Y143-V396 HydrophobicContact CD2-CG2 4.01Å; Y143-V396 HydrophobicContact CE2-CB 4.47Å; Y143-V396 HydrophobicContact CE2-CG2 3.95Å; E392-V396 HydrophobicContact CG-CG1 4.48Å; E392-V396 PolarHBondContact O-N 3.23Å; F393-V396 WeakPolarHBondContact O-CG2 3.2Å; F393-V396 PolarHBondContact O-N 3.39Å; F393-V396 VanDerWaalsContact O-N 3.14Å; V396-F417 HydrophobicContact CG1-CB 4.28Å; V396-F417 HydrophobicContact CG2-CD1 3.63Å; V396-F417 HydrophobicContact CG2-CE1 3.73Å; V396-F417 HydrophobicContact CG2-CG 4.08Å; V396-F417 HydrophobicContact CG2-CZ 4.26Å
397C97.3Very high96Very high5 Ų561.1 Ų61.13%0.03432%0.323CS..SBendtrans-62.6140.7171.3-77.60000111.6Y112 F393Y112-C397 HydrophobicContact CD1-CB 3.69Å; Y112-C397 HydrophobicContact CE1-CB 3.75Å; F393-C397 VanDerWaalsContact CE2-SG 3.51Å; F393-C397 WeakPolarHBondContact CZ-SG 3.17Å; F393-C397 PolarHBondContact O-N 3.23Å; F393-C397 PolarHBondContact O-SG 2.62Å
398H98.3Very high96.2Very high24 Ų2463.1 Ų63.111%0.11134%0.337CS..EExtended strand (participates in β ladder)trans-76.1126.2166.8-62.3-61.7000108.4F134 G141 L142 I410 H413F134-H398 WeakPolarHBondContact CZ-O 3.37Å; G141-H398 CarbonylContact C-O 3.57Å; G141-H398 WeakPolarHBondContact CA-O 3.29Å; L142-H398 PolarHBondContact N-O 3.31Å; L142-H398 PolarHBondContact O-N 3.43Å; H398-I410 HydrophobicContact CB-CD1 3.85Å; H398-I410 HydrophobicContact CB-CG1 4.21Å; H398-I410 PolarHBondContact CE1-O 2.88Å; H398-I410 PolarHBondContact NE2-O 2.83Å; H398-H413 PolarHBondContact CE1-O 2.7Å; H398-H413 PolarHBondContact NE2-O 3.5Å
399T98.2Very high96.3Very high36 Ų3665.7 Ų65.722%0.22136%0.358CS..EExtended strand (participates in β ladder)trans-88156.5179.462.50000111.5P140 A401 Q402 Y403P140-T399 WeakPolarHBondContact O-CA 3.27Å; T399-A401 PolarHBondContact O-N 2.76Å; T399-Q402 PolarHBondContact O-N 2.91Å; T399-Q402 VanDerWaalsContact O-N 3.11Å; T399-Q402 VanDerWaalsContact OG1-CG 3.3Å; T399-Q402 WeakPolarHBondContact OG1-CG 3.44Å; T399-Q402 PolarHBondContact OG1-N 3.34Å; T399-Q402 PolarHBondContact OG1-OE1 3.16Å; T399-Y403 PolarHBondContact O-N 3.28Å
400K98.1Very high96.5Very high49 Ų4962.2 Ų62.221%0.21334%0.339CS..Hα-helixtrans-55.4-40.8174-168.3177.6-173.7-179.20112.5F134 N138 I139 P140 Q402 Y403 E404F134-K400 HydrophobicContact CD1-CB 3.89Å; F134-K400 HydrophobicContact CD1-CG 3.97Å; F134-K400 HydrophobicContact CE1-CB 4.01Å; N138-K400 PolarHBondContact OD1-NZ 3.3Å; I139-K400 WeakPolarHBondContact O-CB 3.43Å; P140-K400 PolarHBondContact O-N 3.23Å; K400-Q402 VanDerWaalsContact C-N 3.35Å; K400-Q402 PolarHBondContact O-N 2.82Å; K400-Y403 WeakPolarHBondContact O-CB 3.4Å; K400-Y403 PolarHBondContact O-N 3.34Å; K400-E404 VanDerWaalsContact CE-OE1 3.25Å; K400-E404 WeakPolarHBondContact CE-OE1 3.29Å; K400-E404 HydrophobicContact CG-CG 4.45Å; K400-E404 WeakPolarHBondContact O-CG 3.45Å; K400-E404 PolarHBondContact O-N 3.09Å
401A97.8Very high96.7Very high62 Ų6257.5 Ų57.551%0.51232%0.317SS..Hα-helixtrans-60.9-42.4177.400000112.2T399 E404 E405T399-A401 PolarHBondContact O-N 2.76Å; A401-E404 PolarHBondContact O-N 3.22Å; A401-E405 WeakPolarHBondContact O-CB 3.44Å; A401-E405 PolarHBondContact O-N 3.11Å
402Q98Very high97Very high76 Ų7657.4 Ų57.436%0.35530%0.302SS..Hα-helixtrans-66.7-39.4174.9-71.6164.8-48.800111.8T399 K400 E405 I406 I410T399-Q402 PolarHBondContact O-N 2.91Å; T399-Q402 VanDerWaalsContact O-N 3.11Å; T399-Q402 VanDerWaalsContact OG1-CG 3.3Å; T399-Q402 WeakPolarHBondContact OG1-CG 3.44Å; T399-Q402 PolarHBondContact OG1-N 3.34Å; T399-Q402 PolarHBondContact OG1-OE1 3.16Å; K400-Q402 VanDerWaalsContact C-N 3.35Å; K400-Q402 PolarHBondContact O-N 2.82Å; Q402-E405 PolarHBondContact O-N 2.94Å; Q402-I406 WeakPolarHBondContact O-CB 3.32Å; Q402-I406 PolarHBondContact O-N 3.14Å; Q402-I410 HydrophobicContact CB-CD1 3.68Å
403Y98.6Very high97.1Very high15 Ų1559.2 Ų59.26%0.05931%0.31CS..Hα-helixtrans-60.6-45.5176.2177.6-88.5000111.2A130 E131 F134 E135 T399 K400 G407 P408A130-Y403 HydrophobicContact CB-CD2 4.41Å; A130-Y403 HydrophobicContact CB-CE2 3.97Å; E131-Y403 WeakPolarHBondContact CA-OH 3.44Å; F134-Y403 HydrophobicContact CB-CD1 3.77Å; F134-Y403 HydrophobicContact CB-CD2 4.39Å; F134-Y403 HydrophobicContact CB-CE1 3.91Å; F134-Y403 HydrophobicContact CB-CE2 4.48Å; F134-Y403 HydrophobicContact CB-CG 4.04Å; F134-Y403 HydrophobicContact CD2-CD1 4.11Å; F134-Y403 AromaticContact CD2-CD2 3.3Å; F134-Y403 HydrophobicContact CD2-CD2 3.3Å; F134-Y403 AromaticContact CD2-CE2 3.81Å; F134-Y403 HydrophobicContact CD2-CE2 3.81Å; F134-Y403 AromaticContact CD2-CG 3.47Å; F134-Y403 HydrophobicContact CD2-CG 3.47Å; F134-Y403 VanDerWaalsContact CD2-CG 3.47Å; F134-Y403 AromaticContact CE2-CD2 3.8Å; F134-Y403 HydrophobicContact CE2-CD2 3.8Å; F134-Y403 HydrophobicContact CE2-CG 4.03Å; F134-Y403 HydrophobicContact CG-CD1 4.05Å; F134-Y403 HydrophobicContact CG-CD2 4.09Å; F134-Y403 AromaticContact CG-CG 3.82Å; F134-Y403 HydrophobicContact CG-CG 3.82Å; E135-Y403 HydrophobicContact CG-CE1 3.89Å; E135-Y403 PolarHBondContact OE1-OH 3.21Å; T399-Y403 PolarHBondContact O-N 3.28Å; K400-Y403 WeakPolarHBondContact O-CB 3.4Å; K400-Y403 PolarHBondContact O-N 3.34Å; Y403-G407 CarbonylContact O-C 3.46Å; Y403-G407 WeakPolarHBondContact O-CA 3.4Å; Y403-G407 PolarHBondContact O-N 2.8Å; Y403-P408 HydrophobicContact CD2-CB 4.48Å; Y403-P408 HydrophobicContact CE2-CB 3.66Å
404E98.1Very high97Very high135 Ų13560 Ų6063%0.63131%0.314SS*.Hα-helixtrans-67.9-36.1178.7-70.9173.6174.300112.8K400 A401K400-E404 VanDerWaalsContact CE-OE1 3.25Å; K400-E404 WeakPolarHBondContact CE-OE1 3.29Å; K400-E404 HydrophobicContact CG-CG 4.45Å; K400-E404 WeakPolarHBondContact O-CG 3.45Å; K400-E404 PolarHBondContact O-N 3.09Å; A401-E404 PolarHBondContact O-N 3.22Å
405E97.8Very high96.8Very high169 Ų16960 Ų6079%0.7932%0.32SS*.Hα-helixtrans-80.4-43.1-177.6-174.3178.5-178.700113.2A401 Q402A401-E405 WeakPolarHBondContact O-CB 3.44Å; A401-E405 PolarHBondContact O-N 3.11Å; Q402-E405 PolarHBondContact O-N 2.94Å
406I97.4Very high96.5Very high111 Ų11155.5 Ų55.557%0.56930%0.298SS*.Hα-helixtrans-101.9-28.4-171.6-55.1171.4000111.4Q402 I410Q402-I406 WeakPolarHBondContact O-CB 3.32Å; Q402-I406 PolarHBondContact O-N 3.14Å; I406-I410 HydrophobicContact CB-CG2 3.7Å; I406-I410 HydrophobicContact CD1-CG2 4.03Å; I406-I410 HydrophobicContact CG1-CG2 4.47Å; I406-I410 HydrophobicContact CG2-CG2 3.44Å; I406-I410 VanDerWaalsContact CG2-CG2 3.44Å
407G97Very high96.1Very high18 Ų1854.7 Ų54.719%0.18629%0.292CS..  trans96.7177.9-175.500000114Y403 A409 I410Y403-G407 CarbonylContact O-C 3.46Å; Y403-G407 WeakPolarHBondContact O-CA 3.4Å; Y403-G407 PolarHBondContact O-N 2.8Å; G407-A409 PolarHBondContact O-N 3.14Å; G407-I410 PolarHBondContact O-N 3.2Å
408P97.2Very high95.1Very high49 Ų4955.6 Ų55.632%0.31830%0.302SS..G310 helixtrans-63.9-18-172.525.6-36.1000114.1E127 Y403 I410 C411E127-P408 HydrophobicContact CB-CB 4.02Å; E127-P408 HydrophobicContact CG-CB 4Å; Y403-P408 HydrophobicContact CD2-CB 4.48Å; Y403-P408 HydrophobicContact CE2-CB 3.66Å; P408-I410 PolarHBondContact O-N 3.3Å; P408-C411 WeakPolarHBondContact O-CB 3.26Å; P408-C411 PolarHBondContact O-N 2.91Å
409A97.4Very high93.6Very high53 Ų5357.4 Ų57.444%0.43832%0.315SS..G310 helixtrans-58.2-24.4-178.200000113.7E127 G407 C411 R412E127-A409 WeakPolarHBondContact OE1-CA 3.33Å; G407-A409 PolarHBondContact O-N 3.14Å; A409-C411 PolarHBondContact O-N 3.04Å; A409-R412 VanDerWaalsContact O-CB 3.31Å; A409-R412 WeakPolarHBondContact O-CB 3.4Å; A409-R412 WeakPolarHBondContact O-CG 3.48Å; A409-R412 PolarHBondContact O-N 3.45Å
410I97.6Very high91.1Very high28 Ų2864.2 Ų64.214%0.14435%0.346CS..G310 helixtrans-61.3-34.3175.668.4179.6000111.7H398 Q402 I406 G407 P408 R412 H413H398-I410 HydrophobicContact CB-CD1 3.85Å; H398-I410 HydrophobicContact CB-CG1 4.21Å; H398-I410 PolarHBondContact CE1-O 2.88Å; H398-I410 PolarHBondContact NE2-O 2.83Å; Q402-I410 HydrophobicContact CB-CD1 3.68Å; I406-I410 HydrophobicContact CB-CG2 3.7Å; I406-I410 HydrophobicContact CD1-CG2 4.03Å; I406-I410 HydrophobicContact CG1-CG2 4.47Å; I406-I410 HydrophobicContact CG2-CG2 3.44Å; I406-I410 VanDerWaalsContact CG2-CG2 3.44Å; G407-I410 PolarHBondContact O-N 3.2Å; P408-I410 PolarHBondContact O-N 3.3Å; I410-R412 PolarHBondContact O-N 3.41Å; I410-H413 PolarHBondContact O-N 3.32Å
411C97.5Very high88.2Confident0 Ų071.4 Ų71.40%039%0.394CS..G310 helixtrans-75.3-8.4-178.7-63.50000113.1R126 A130 I144 P408 A409 H413 N414R126-C411 VanDerWaalsContact CD-O 3.3Å; R126-C411 WeakPolarHBondContact CD-O 3.44Å; A130-C411 HydrophobicContact CB-CB 3.77Å; A130-C411 VanDerWaalsContact CB-SG 3.54Å; I144-C411 HydrophobicContact CD1-CB 4.46Å; P408-C411 WeakPolarHBondContact O-CB 3.26Å; P408-C411 PolarHBondContact O-N 2.91Å; A409-C411 PolarHBondContact O-N 3.04Å; C411-H413 PolarHBondContact O-N 2.85Å; C411-N414 PolarHBondContact O-ND2 2.89Å; C411-N414 VanDerWaalsContact O-ND2 3.1Å
412R97Very high87.7Confident93 Ų9371.9 Ų71.935%0.35139%0.388SS..G310 helixtrans-62.6-27.2175.2-68.2-173.4177.3-123.1-10.5112.5P123 E124 R126 E127 A409 I410P123-R412 HydrophobicContact CB-CB 4.18Å; P123-R412 HydrophobicContact CB-CG 3.81Å; E124-R412 IonicContact OE1-CZ 2.66Å; E124-R412 IonicContact OE1-NH1 3.45Å; E124-R412 PolarHBondContact OE1-NH1 2.93Å; E124-R412 IonicContact OE1-NH2 3.01Å; E124-R412 PolarHBondContact OE1-NH2 3.06Å; R126-R412 PolarHBondContact NH1-O 3.12Å; E127-R412 VanDerWaalsContact CD-NE 3.32Å; E127-R412 HydrophobicContact CG-CG 4.08Å; E127-R412 IonicContact OE1-CZ 2.78Å; E127-R412 VanDerWaalsContact OE1-CZ 3.3Å; E127-R412 IonicContact OE1-NE 2.78Å; E127-R412 PolarHBondContact OE1-NE 2.93Å; E127-R412 IonicContact OE1-NH2 2.67Å; E127-R412 PolarHBondContact OE1-NH2 3.21Å; E127-R412 VanDerWaalsContact OE1-NH2 3.11Å; E127-R412 IonicContact OE2-CZ 3.33Å; E127-R412 IonicContact OE2-NE 3.24Å; E127-R412 IonicContact OE2-NH2 3.71Å; E127-R412 PolarHBondContact OE2-NH2 2.69Å; A409-R412 VanDerWaalsContact O-CB 3.31Å; A409-R412 WeakPolarHBondContact O-CB 3.4Å; A409-R412 WeakPolarHBondContact O-CG 3.48Å; A409-R412 PolarHBondContact O-N 3.45Å; I410-R412 PolarHBondContact O-N 3.41Å
413H94.5Very high87.2Confident114 Ų11471.6 Ų71.653%0.52839%0.39SS..  trans-128.2127.9178.5-178.765.9000111H398 I410 C411H398-H413 PolarHBondContact CE1-O 2.7Å; H398-H413 PolarHBondContact NE2-O 3.5Å; I410-H413 PolarHBondContact O-N 3.32Å; C411-H413 PolarHBondContact O-N 2.85Å
414N93.9Very high86.5Confident16 Ų1674.8 Ų74.89%0.08641%0.409CS..  trans-118.5114.5177.4-66.6-93000107.7Y143 I144 C411 V416Y143-N414 HydrophobicContact CD2-CB 4.15Å; Y143-N414 HydrophobicContact CE2-CB 3.79Å; I144-N414 PolarHBondContact N-OD1 3.07Å; I144-N414 VanDerWaalsContact O-CB 3.26Å; I144-N414 WeakPolarHBondContact O-CB 3.36Å; I144-N414 VanDerWaalsContact O-CG 3.26Å; I144-N414 PolarHBondContact O-ND2 3.29Å; C411-N414 PolarHBondContact O-ND2 2.89Å; C411-N414 VanDerWaalsContact O-ND2 3.1Å; N414-V416 PolarHBondContact O-N 3.32Å
415P91.3Very high85.8Confident47 Ų4771.2 Ų71.231%0.30540%0.396SS..  trans-63.8133.3-175.2-22.533.1000112.2Y143Y143-P415 WeakPolarHBondContact CE2-O 3.34Å; Y143-P415 PolarHBondContact OH-O 3.08Å
416V87.5Confident85.1Confident42 Ų4265.1 Ų65.126%0.25537%0.371SS..  trans-73.7140.7174-175.20000110V149 L166 G186 Y187 N414V149-V416 HydrophobicContact CG1-CG1 4.21Å; L166-V416 HydrophobicContact CD1-CG1 3.7Å; G186-V416 WeakPolarHBondContact O-CG2 3.29Å; Y187-V416 HydrophobicContact CE1-CG2 4.49Å; N414-V416 PolarHBondContact O-N 3.32Å
417F88.2Confident84.3Confident7 Ų762.1 Ų62.13%0.03136%0.358CS..  trans-143.1175.6-177.971.8-78.9000112Y143 L387 E392 F393 V396Y143-F417 HydrophobicContact CE1-CE1 4.13Å; Y143-F417 HydrophobicContact CE2-CD1 4.23Å; Y143-F417 HydrophobicContact CE2-CE1 4.01Å; Y143-F417 AromaticContact CZ-CE1 3.76Å; L387-F417 HydrophobicContact CB-CE2 4.07Å; L387-F417 HydrophobicContact CB-CZ 3.74Å; L387-F417 HydrophobicContact CD1-CZ 4.42Å; L387-F417 HydrophobicContact CD2-CE2 4.21Å; L387-F417 HydrophobicContact CD2-CZ 4.49Å; L387-F417 HydrophobicContact CG-CZ 4.45Å; E392-F417 HydrophobicContact CB-CD2 4.11Å; E392-F417 HydrophobicContact CG-CB 4.17Å; E392-F417 HydrophobicContact CG-CD2 4.02Å; E392-F417 HydrophobicContact CG-CG 4.44Å; F393-F417 HydrophobicContact CB-CE2 4.08Å; F393-F417 HydrophobicContact CB-CZ 4.01Å; F393-F417 HydrophobicContact CD2-CE1 4.44Å; F393-F417 AromaticContact CD2-CZ 3.87Å; F393-F417 HydrophobicContact CD2-CZ 3.87Å; F393-F417 HydrophobicContact CG-CZ 4.45Å; V396-F417 HydrophobicContact CG1-CB 4.28Å; V396-F417 HydrophobicContact CG2-CD1 3.63Å; V396-F417 HydrophobicContact CG2-CE1 3.73Å; V396-F417 HydrophobicContact CG2-CG 4.08Å; V396-F417 HydrophobicContact CG2-CZ 4.26Å
418G75.7Confident83.4Confident23 Ų2365.2 Ų65.224%0.23737%0.37CS..SBendtrans87.89.317700000116.7W156 E392W156-G418 WeakPolarHBondContact CH2-O 3.05Å; E392-G418 PolarHBondContact OE2-N 2.93Å
419T67.7Low82.3Confident62 Ų6266.5 Ų66.538%0.3837%0.374SS..  trans-118.70.5176.736.40000115.9W156 L166W156-T419 HydrophobicContact CH2-CG2 4.23Å; W156-T419 HydrophobicContact CZ2-CG2 4.12Å; L166-T419 HydrophobicContact CB-CG2 3.96Å; L166-T419 HydrophobicContact CD1-CG2 3.34Å; L166-T419 HydrophobicContact CG-CG2 3.32Å
420M45.3Very low81Confident180 Ų18067.6 Ų67.689%0.88737%0.369SS*.  trans-113.943.6-175.6-68.5-144-15000114.9
421T36.3Very low79.5Confident199 Ų19971.2 Ų71.2100%1.22139%0.389SS*.  trans-128.10167.650.60000112.1

Retrieved 421 of 421 residues in 96.3 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).