A0A5K4EFD9_SCHMA Loading...

Putative chromatin regulatory protein sir2

AlphaFold DB , UniProt , Accession A0A5K4EFD9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 161 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.1Low81.2Confident241 Ų241106.2 Ų106.2100%1.18752%0.52SS*.  0110.30-166.117276.800108.3
2E63.9Low82.6Confident121 Ų121103.5 Ų103.557%0.56550%0.504SS*.  trans-78.6134.8175.7-69.9-166.9127.100110F4 K88E2-F4 HydrophobicContact CB-CD2 4.47Å; E2-F4 HydrophobicContact CB-CE2 3.48Å; E2-F4 VanDerWaalsContact CB-CE2 3.48Å; E2-F4 HydrophobicContact CB-CZ 3.73Å; E2-F4 HydrophobicContact CG-CZ 4.46Å; E2-F4 VanDerWaalsContact OE2-CZ 3.3Å; E2-F4 WeakPolarHBondContact OE2-CZ 3.49Å; E2-K88 WeakPolarHBondContact OE1-CE 3.3Å; E2-K88 IonicContact OE1-NZ 2.74Å; E2-K88 PolarHBondContact OE1-NZ 3.5Å; E2-K88 VanDerWaalsContact OE2-CE 3.25Å; E2-K88 WeakPolarHBondContact OE2-CE 3.38Å; E2-K88 IonicContact OE2-NZ 3.35Å; E2-K88 PolarHBondContact OE2-NZ 3.16Å
3K73.6Confident83.8Confident197 Ų19796.2 Ų96.286%0.85747%0.469SS*.  trans-104.1125177.5-176.2174.6175.1173.30110.1
4F75.2Confident84.8Confident72 Ų7294.2 Ų94.232%0.31645%0.454SS..  trans-113.6134.7174.3-61.2-78.2000110.3E2 K88 I92E2-F4 HydrophobicContact CB-CD2 4.47Å; E2-F4 HydrophobicContact CB-CE2 3.48Å; E2-F4 VanDerWaalsContact CB-CE2 3.48Å; E2-F4 HydrophobicContact CB-CZ 3.73Å; E2-F4 HydrophobicContact CG-CZ 4.46Å; E2-F4 VanDerWaalsContact OE2-CZ 3.3Å; E2-F4 WeakPolarHBondContact OE2-CZ 3.49Å; F4-K88 HydrophobicContact CE1-CB 4.44Å; F4-K88 HydrophobicContact CE1-CD 3.53Å; F4-K88 HydrophobicContact CE1-CG 3.78Å; F4-K88 HydrophobicContact CZ-CD 3.77Å; F4-K88 VanDerWaalsContact CZ-CE 3.44Å; F4-K88 HydrophobicContact CZ-CG 3.85Å; F4-I92 HydrophobicContact CD2-CD1 4.04Å; F4-I92 HydrophobicContact CE2-CD1 3.16Å; F4-I92 HydrophobicContact CZ-CD1 3.57Å
5S81Confident85.7Confident61 Ų6187.9 Ų87.943%0.42742%0.424SS..  trans-116.287.1170.8-157.80000108.5P7 G8S5-P7 VanDerWaalsContact C-CD 3.4Å; S5-G8 WeakPolarHBondContact CB-O 3.34Å; S5-G8 PolarHBondContact O-N 3Å; S5-G8 PolarHBondContact OG-O 2.7Å
6Y82.2Confident86.4Confident104 Ų10488.1 Ų88.141%0.40843%0.427SS..THydrogen-bonded Turntrans-63.9-36.7-179.664.7-94.1000114G8 L81 V111Y6-G8 PolarHBondContact O-N 3.32Å; Y6-L81 HydrophobicContact CD2-CD2 4.05Å; Y6-L81 WeakPolarHBondContact O-CD2 3.37Å; Y6-V111 HydrophobicContact CD1-CG2 4.08Å; Y6-V111 HydrophobicContact CD2-CG2 3.57Å; Y6-V111 HydrophobicContact CE1-CG1 4.02Å; Y6-V111 HydrophobicContact CE1-CG2 4.1Å; Y6-V111 HydrophobicContact CE2-CB 4.37Å; Y6-V111 HydrophobicContact CE2-CG2 3.61Å; Y6-V111 HydrophobicContact CG-CG2 3.83Å
7P85.9Confident87Confident56 Ų5691.2 Ų91.236%0.36444%0.44SS..THydrogen-bonded Turntrans-83.89.2-178.735.3-30.8000112.4S5 V74 V75S5-P7 VanDerWaalsContact C-CD 3.4Å; P7-V74 CarbonylContact O-C 3.55Å; P7-V74 WeakPolarHBondContact O-CA 3.46Å; P7-V74 VanDerWaalsContact O-CB 3.32Å; P7-V74 WeakPolarHBondContact O-CB 3.5Å; P7-V75 PolarHBondContact O-N 3.36Å
8G91.1Very high87.6Confident15 Ų1588 Ų8816%0.15543%0.429CS..EExtended strand (participates in β ladder)trans88.4-150.1-17500000113.4S5 Y6 H73S5-G8 WeakPolarHBondContact CB-O 3.34Å; S5-G8 PolarHBondContact O-N 3Å; S5-G8 PolarHBondContact OG-O 2.7Å; Y6-G8 PolarHBondContact O-N 3.32Å; G8-H73 CarbonylContact C-O 3.54Å; G8-H73 WeakPolarHBondContact CA-O 3.35Å
9N93.2Very high88.1Confident62 Ų6288.8 Ų88.833%0.33244%0.435SS..EExtended strand (participates in β ladder)trans-147.5129.7-176.6-175.1-28.5000110.9Y11 K12 H73N9-Y11 PolarHBondContact O-N 2.95Å; N9-Y11 WeakPolarHBondContact OD1-CB 3.32Å; N9-Y11 PolarHBondContact OD1-N 3Å; N9-K12 HydrophobicContact CB-CB 4.23Å; N9-K12 HydrophobicContact CB-CD 4.06Å; N9-K12 HydrophobicContact CB-CG 4.01Å; N9-K12 PolarHBondContact O-N 2.92Å; N9-H73 PolarHBondContact N-O 3.02Å
10L95Very high88.6Confident133 Ų13386.3 Ų86.370%0.69642%0.424SS*.EExtended strand (participates in β ladder)trans-61.6-31.8179.4-174.463.2000113.2K12L10-K12 PolarHBondContact O-N 3.3Å
11Y96.6Very high89Confident106 Ų10685.6 Ų85.642%0.41642%0.421SS..EExtended strand (participates in β ladder)trans-8820176.8-59.2-71.7000112.5N9 V23 N24 F25N9-Y11 PolarHBondContact O-N 2.95Å; N9-Y11 WeakPolarHBondContact OD1-CB 3.32Å; N9-Y11 PolarHBondContact OD1-N 3Å; Y11-V23 CarbonylContact O-C 3.48Å; Y11-V23 WeakPolarHBondContact O-CA 3.46Å; Y11-V23 WeakPolarHBondContact O-CG1 3.17Å; Y11-N24 WeakPolarHBondContact CA-O 3.36Å; Y11-N24 PolarHBondContact O-N 3.1Å; Y11-F25 AromaticContact CD1-CD1 3.36Å; Y11-F25 HydrophobicContact CD1-CD1 3.36Å; Y11-F25 AromaticContact CD1-CE1 3.66Å; Y11-F25 HydrophobicContact CD1-CE1 3.66Å; Y11-F25 HydrophobicContact CD1-CG 4.42Å; Y11-F25 HydrophobicContact CD2-CD1 4.45Å; Y11-F25 AromaticContact CD2-CE1 3.91Å; Y11-F25 HydrophobicContact CD2-CE1 3.91Å; Y11-F25 AromaticContact CE1-CD1 3.94Å; Y11-F25 HydrophobicContact CE1-CD1 3.94Å; Y11-F25 HydrophobicContact CE1-CE1 4.32Å; Y11-F25 AromaticContact CG-CD1 3.65Å; Y11-F25 HydrophobicContact CG-CD1 3.65Å; Y11-F25 AromaticContact CG-CE1 3.41Å; Y11-F25 HydrophobicContact CG-CE1 3.41Å; Y11-F25 VanDerWaalsContact CG-CE1 3.41Å; Y11-F25 HydrophobicContact CG-CZ 4.44Å
12K97.1Very high90.9Very high74 Ų7479.1 Ų79.132%0.32238%0.383SS..EExtended strand (participates in β ladder)trans-123.3144.7169.8-69.5-175.2-179-176.80109.9N9 L10 I21 R22 V23 H73N9-K12 HydrophobicContact CB-CB 4.23Å; N9-K12 HydrophobicContact CB-CD 4.06Å; N9-K12 HydrophobicContact CB-CG 4.01Å; N9-K12 PolarHBondContact O-N 2.92Å; L10-K12 PolarHBondContact O-N 3.3Å; K12-I21 HydrophobicContact CD-CG2 4.27Å; K12-R22 CarbonylContact C-O 3.6Å; K12-R22 WeakPolarHBondContact CA-O 3.46Å; K12-V23 HydrophobicContact CG-CG2 4.01Å; K12-H73 HydrophobicContact CB-CB 3.71Å; K12-H73 WeakPolarHBondContact O-CB 3.33Å; K12-H73 PolarHBondContact O-N 3.23Å
13T98Very high92.5Very high9 Ų977.3 Ų77.36%0.05538%0.381CS..EExtended strand (participates in β ladder)trans-116.9146.2172.354.30000110.3I21 R22 N24 I29 L70 R71T13-I21 VanDerWaalsContact O-CA 3.27Å; T13-I21 WeakPolarHBondContact O-CA 3.3Å; T13-R22 PolarHBondContact N-O 2.78Å; T13-R22 PolarHBondContact O-N 3.06Å; T13-N24 HydrophobicContact CG2-CB 4.32Å; T13-I29 HydrophobicContact CG2-CD1 3.75Å; T13-L70 HydrophobicContact CG2-CB 4.45Å; T13-L70 HydrophobicContact CG2-CD1 4.36Å; T13-R71 CarbonylContact C-O 3.59Å; T13-R71 VanDerWaalsContact CA-O 3.27Å; T13-R71 WeakPolarHBondContact CA-O 3.49Å
14R97.8Very high93.6Very high68 Ų6869.5 Ų69.526%0.25735%0.348SS..EExtended strand (participates in β ladder)trans-115.9129.9169.2-179.4179.2-68.9-162.1-1.1109.1D20 I21 R71 H73 E82R14-D20 WeakPolarHBondContact CA-O 3.41Å; R14-I21 HydrophobicContact CB-CG1 4.21Å; R14-I21 HydrophobicContact CG-CG1 4.12Å; R14-R71 HydrophobicContact CB-CG 4.28Å; R14-R71 PolarHBondContact N-O 3.24Å; R14-R71 WeakPolarHBondContact O-CG 3.45Å; R14-R71 PolarHBondContact O-N 3.23Å; R14-H73 HydrophobicContact CB-CB 4.16Å; R14-H73 PolarHBondContact NH2-CE1 2.83Å; R14-H73 PolarHBondContact NH2-ND1 3.34Å; R14-E82 IonicContact CZ-OE1 3.29Å; R14-E82 IonicContact NH2-OE1 3.62Å; R14-E82 PolarHBondContact NH2-OE1 3.44Å
15C98.4Very high94.7Very high0 Ų072.4 Ų72.40%036%0.361CS..EExtended strand (participates in β ladder)trans-72.9132.4170.8-177.50000111E17 C18 N19 D20 C57 L70C15-E17 VanDerWaalsContact C-N 3.28Å; C15-E17 PolarHBondContact O-N 3.19Å; C15-E17 PolarHBondContact SG-N 2.95Å; C15-E17 VanDerWaalsContact SG-N 3.38Å; C15-C18 PolarHBondContact SG-N 3.04Å; C15-C18 VanDerWaalsContact SG-SG 3.62Å; C15-N19 VanDerWaalsContact O-CA 3.25Å; C15-N19 WeakPolarHBondContact O-CA 3.36Å; C15-N19 PolarHBondContact O-N 3.5Å; C15-N19 VanDerWaalsContact O-N 3.12Å; C15-D20 HydrophobicContact CB-CB 4.36Å; C15-D20 PolarHBondContact N-O 3.29Å; C15-C57 HydrophobicContact CB-CB 3.95Å; C15-C57 WeakPolarHBondContact SG-CB 3.29Å; C15-L70 HydrophobicContact CB-CD2 3.87Å
16L97.5Very high95.4Very high90 Ų9074.4 Ų74.447%0.47137%0.366SS..THydrogen-bonded Turntrans-73.8-16.9177.4-66.1-177.7000114.1L69 R71L16-L69 HydrophobicContact CD1-CB 4.23Å; L16-L69 HydrophobicContact CD1-CD2 4.09Å; L16-L69 HydrophobicContact CD1-CG 4.29Å; L16-L69 WeakPolarHBondContact CG-O 3.44Å; L16-L69 PolarHBondContact N-O 3.37Å; L16-R71 HydrophobicContact CD2-CB 4.42Å; L16-R71 VanDerWaalsContact CD2-CD 3.49Å; L16-R71 HydrophobicContact CD2-CG 3.8Å; L16-R71 HydrophobicContact CG-CG 4.38Å
17E97.3Very high96Very high141 Ų14178 Ų7866%0.65939%0.385SS*.THydrogen-bonded Turntrans-97.9-53.8-178.7-59.5-64.9168.800111.6C15C15-E17 VanDerWaalsContact C-N 3.28Å; C15-E17 PolarHBondContact O-N 3.19Å; C15-E17 PolarHBondContact SG-N 2.95Å; C15-E17 VanDerWaalsContact SG-N 3.38Å
18C97.6Very high96.5Very high34 Ų3477.9 Ų77.923%0.2338%0.383CS..THydrogen-bonded Turntrans-105.43-173.376.30000114.7C15 D20 C57 I61 C66C15-C18 PolarHBondContact SG-N 3.04Å; C15-C18 VanDerWaalsContact SG-SG 3.62Å; C18-D20 PolarHBondContact O-N 3.32Å; C18-D20 WeakPolarHBondContact SG-CB 3.29Å; C18-C57 VanDerWaalsContact SG-SG 3.68Å; C18-I61 HydrophobicContact CB-CD1 3.34Å; C18-C66 VanDerWaalsContact SG-SG 3.6Å
19N96.8Very high96.8Very high104 Ų10480 Ų8056%0.55639%0.391SS*.  trans5713.4-178.7-68-58.6000116.1C15 I21C15-N19 VanDerWaalsContact O-CA 3.25Å; C15-N19 WeakPolarHBondContact O-CA 3.36Å; C15-N19 PolarHBondContact O-N 3.5Å; C15-N19 VanDerWaalsContact O-N 3.12Å; N19-I21 PolarHBondContact O-N 3.37Å
20D97.4Very high97Very high38 Ų3878.2 Ų78.220%0.20338%0.383CS..  trans-61.4128.3176.1-179.760.6000109.9R14 C15 C18 R22 N59R14-D20 WeakPolarHBondContact CA-O 3.41Å; C15-D20 HydrophobicContact CB-CB 4.36Å; C15-D20 PolarHBondContact N-O 3.29Å; C18-D20 PolarHBondContact O-N 3.32Å; C18-D20 WeakPolarHBondContact SG-CB 3.29Å; D20-R22 IonicContact OD1-NE 2.73Å; D20-R22 IonicContact OD1-NH2 3.91Å; D20-R22 WeakPolarHBondContact OD2-CD 3.42Å; D20-R22 WeakPolarHBondContact OD2-CG 3.41Å; D20-R22 IonicContact OD2-CZ 2.72Å; D20-R22 IonicContact OD2-NE 3.92Å; D20-R22 PolarHBondContact OD2-NE 3.47Å; D20-R22 IonicContact OD2-NH2 3.48Å; D20-R22 PolarHBondContact OD2-NH2 3.16Å; D20-N59 HydrophobicContact CB-CB 4.13Å
21I96.7Very high97.1Very high71 Ų7176.2 Ų76.236%0.36439%0.385SS..EExtended strand (participates in β ladder)trans-111.9120.3179.8-62.4166.9000108.4K12 T13 R14 N19 H73K12-I21 HydrophobicContact CD-CG2 4.27Å; T13-I21 VanDerWaalsContact O-CA 3.27Å; T13-I21 WeakPolarHBondContact O-CA 3.3Å; R14-I21 HydrophobicContact CB-CG1 4.21Å; R14-I21 HydrophobicContact CG-CG1 4.12Å; N19-I21 PolarHBondContact O-N 3.37Å; I21-H73 VanDerWaalsContact CG2-CD2 3.4Å; I21-H73 WeakPolarHBondContact CG2-CD2 3.43Å
22R96.4Very high97.1Very high105 Ų10572.4 Ų72.440%0.39638%0.375SS..EExtended strand (participates in β ladder)trans-132149.4179.6-67-171-173.6-175.10.6111.8K12 T13 D20 N59K12-R22 CarbonylContact C-O 3.6Å; K12-R22 WeakPolarHBondContact CA-O 3.46Å; T13-R22 PolarHBondContact N-O 2.78Å; T13-R22 PolarHBondContact O-N 3.06Å; D20-R22 IonicContact OD1-NE 2.73Å; D20-R22 IonicContact OD1-NH2 3.91Å; D20-R22 WeakPolarHBondContact OD2-CD 3.42Å; D20-R22 WeakPolarHBondContact OD2-CG 3.41Å; D20-R22 IonicContact OD2-CZ 2.72Å; D20-R22 IonicContact OD2-NE 3.92Å; D20-R22 PolarHBondContact OD2-NE 3.47Å; D20-R22 IonicContact OD2-NH2 3.48Å; D20-R22 PolarHBondContact OD2-NH2 3.16Å; R22-N59 PolarHBondContact NH2-OD1 3.08Å
23V97.4Very high97Very high84 Ų8471.5 Ų71.551%0.50937%0.374SS..EExtended strand (participates in β ladder)trans-73136.2166.4178.90000108.5Y11 K12 F25Y11-V23 CarbonylContact O-C 3.48Å; Y11-V23 WeakPolarHBondContact O-CA 3.46Å; Y11-V23 WeakPolarHBondContact O-CG1 3.17Å; K12-V23 HydrophobicContact CG-CG2 4.01Å; V23-F25 HydrophobicContact CG1-CD2 3.57Å; V23-F25 HydrophobicContact CG1-CE2 3.11Å; V23-F25 HydrophobicContact CG1-CG 4.46Å; V23-F25 HydrophobicContact CG1-CZ 3.65Å
24N97.1Very high96.8Very high32 Ų3277.2 Ų77.217%0.17140%0.403CS..  trans-137123.3175-173.3-58000109.1Y11 T13 D26 I29Y11-N24 WeakPolarHBondContact CA-O 3.36Å; Y11-N24 PolarHBondContact O-N 3.1Å; T13-N24 HydrophobicContact CG2-CB 4.32Å; N24-D26 PolarHBondContact ND2-OD2 3.49Å; N24-D26 WeakPolarHBondContact OD1-CB 3.41Å; N24-D26 PolarHBondContact OD1-N 3.33Å; N24-D26 PolarHBondContact OD1-OD2 3.45Å; N24-I29 HydrophobicContact CB-CD1 4.49Å
25F97.4Very high96.4Very high134 Ų13477.8 Ų77.859%0.58843%0.43SS*.  trans-116.812.3176.8-67.7-70.8000112.5Y11 V23Y11-F25 AromaticContact CD1-CD1 3.36Å; Y11-F25 HydrophobicContact CD1-CD1 3.36Å; Y11-F25 AromaticContact CD1-CE1 3.66Å; Y11-F25 HydrophobicContact CD1-CE1 3.66Å; Y11-F25 HydrophobicContact CD1-CG 4.42Å; Y11-F25 HydrophobicContact CD2-CD1 4.45Å; Y11-F25 AromaticContact CD2-CE1 3.91Å; Y11-F25 HydrophobicContact CD2-CE1 3.91Å; Y11-F25 AromaticContact CE1-CD1 3.94Å; Y11-F25 HydrophobicContact CE1-CD1 3.94Å; Y11-F25 HydrophobicContact CE1-CE1 4.32Å; Y11-F25 AromaticContact CG-CD1 3.65Å; Y11-F25 HydrophobicContact CG-CD1 3.65Å; Y11-F25 AromaticContact CG-CE1 3.41Å; Y11-F25 HydrophobicContact CG-CE1 3.41Å; Y11-F25 VanDerWaalsContact CG-CE1 3.41Å; Y11-F25 HydrophobicContact CG-CZ 4.44Å; V23-F25 HydrophobicContact CG1-CD2 3.57Å; V23-F25 HydrophobicContact CG1-CE2 3.11Å; V23-F25 HydrophobicContact CG1-CG 4.46Å; V23-F25 HydrophobicContact CG1-CZ 3.65Å
26D96.9Very high96.1Very high102 Ų10282.6 Ų82.655%0.54545%0.449SS..  trans-65.8140.1-177.2-59.3-33.7000110.5N24 P28 I29N24-D26 PolarHBondContact ND2-OD2 3.49Å; N24-D26 WeakPolarHBondContact OD1-CB 3.41Å; N24-D26 PolarHBondContact OD1-N 3.33Å; N24-D26 PolarHBondContact OD1-OD2 3.45Å; D26-P28 CarbonylContact C-O 3.56Å; D26-P28 CarbonylContact O-C 3.54Å; D26-I29 PolarHBondContact O-N 3.29Å
27K95.6Very high95.7Very high181 Ų18182 Ų8279%0.78746%0.464SS*.SBendtrans-133104.6-178.8-66.2179.4-174.4177.20109.6
28P96.4Very high95.3Very high52 Ų5279.2 Ų79.234%0.33846%0.46SS..SBendcis-70.8161.3-7.633.5-37.3000112D26 C30 L33 L34D26-P28 CarbonylContact C-O 3.56Å; D26-P28 CarbonylContact O-C 3.54Å; P28-C30 WeakPolarHBondContact CB-O 3.38Å; P28-C30 VanDerWaalsContact CG-O 3.3Å; P28-C30 WeakPolarHBondContact CG-O 3.35Å; P28-C30 PolarHBondContact O-N 2.93Å; P28-L33 HydrophobicContact CB-CB 4.27Å; P28-L34 HydrophobicContact CG-CB 4.03Å; P28-L34 HydrophobicContact CG-CD1 4.03Å
29I97Very high94.9Very high61 Ų6183.3 Ų83.331%0.31349%0.486SS..SBendtrans-62.5-24.9177.9-170.9167.9000113.6T13 N24 D26 L33 P55T13-I29 HydrophobicContact CG2-CD1 3.75Å; N24-I29 HydrophobicContact CB-CD1 4.49Å; D26-I29 PolarHBondContact O-N 3.29Å; I29-L33 HydrophobicContact CG2-CD1 3.42Å; I29-L33 VanDerWaalsContact CG2-CD1 3.42Å; I29-P55 HydrophobicContact CB-CG 4.47Å; I29-P55 HydrophobicContact CD1-CB 4.47Å; I29-P55 HydrophobicContact CD1-CG 4.28Å; I29-P55 HydrophobicContact CG1-CB 4.33Å; I29-P55 HydrophobicContact CG1-CG 4.06Å; I29-P55 HydrophobicContact CG2-CG 3.71Å
30C96.7Very high94.4Very high24 Ų2483.4 Ų83.416%0.16249%0.486CS..SBendtrans-149.8157.716571.60000110.1P28 A32 L33 Q53 P55P28-C30 WeakPolarHBondContact CB-O 3.38Å; P28-C30 VanDerWaalsContact CG-O 3.3Å; P28-C30 WeakPolarHBondContact CG-O 3.35Å; P28-C30 PolarHBondContact O-N 2.93Å; C30-A32 PolarHBondContact O-N 3.09Å; C30-L33 PolarHBondContact O-N 3.47Å; C30-Q53 PolarHBondContact SG-O 2.77Å; C30-Q53 VanDerWaalsContact SG-O 3.36Å; C30-P55 HydrophobicContact CB-CG 4.14Å
31A96.8Very high93.4Very high91 Ų9189.5 Ų89.575%0.75252%0.517SS*.G310 helixtrans-55.7-36.4-177.400000113.3L33 L34A31-L33 PolarHBondContact O-N 3.19Å; A31-L34 VanDerWaalsContact O-CB 3.28Å; A31-L34 WeakPolarHBondContact O-CB 3.44Å; A31-L34 PolarHBondContact O-N 2.74Å; A31-L34 VanDerWaalsContact O-N 3.09Å
32A96Very high92.3Very high25 Ų2591.8 Ų91.821%0.20753%0.526CS..G310 helixtrans-66.8-18.7-178.800000114.1C30 I49 Q53C30-A32 PolarHBondContact O-N 3.09Å; A32-I49 HydrophobicContact CB-CG2 3.76Å; A32-I49 VanDerWaalsContact O-CD1 3.26Å; A32-I49 WeakPolarHBondContact O-CD1 3.48Å; A32-Q53 HydrophobicContact CB-CB 3.83Å; A32-Q53 WeakPolarHBondContact CB-O 3.1Å
33L95.4Very high90.9Very high56 Ų5694.7 Ų94.729%0.29355%0.549SS..G310 helixtrans-91.50.7176.3-72.7170.2000113.3P28 I29 C30 A31 G35 R36 I49 P55P28-L33 HydrophobicContact CB-CB 4.27Å; I29-L33 HydrophobicContact CG2-CD1 3.42Å; I29-L33 VanDerWaalsContact CG2-CD1 3.42Å; C30-L33 PolarHBondContact O-N 3.47Å; A31-L33 PolarHBondContact O-N 3.19Å; L33-G35 PolarHBondContact O-N 3.36Å; L33-R36 HydrophobicContact CD2-CB 4.23Å; L33-R36 WeakPolarHBondContact O-CB 3.41Å; L33-R36 PolarHBondContact O-N 2.57Å; L33-R36 VanDerWaalsContact O-N 3.13Å; L33-I49 HydrophobicContact CD2-CD1 3.74Å; L33-I49 HydrophobicContact CG-CD1 4.4Å; L33-P55 HydrophobicContact CD1-CG 4.3Å
34L94.5Very high89.5Confident128 Ų12896.2 Ų96.267%0.6755%0.553SS**THydrogen-bonded Turntrans-60.4128.6174.2-17264.9000110.6P28 A31 R36P28-L34 HydrophobicContact CG-CB 4.03Å; P28-L34 HydrophobicContact CG-CD1 4.03Å; A31-L34 VanDerWaalsContact O-CB 3.28Å; A31-L34 WeakPolarHBondContact O-CB 3.44Å; A31-L34 PolarHBondContact O-N 2.74Å; A31-L34 VanDerWaalsContact O-N 3.09Å; L34-R36 PolarHBondContact O-N 3.21Å
35G90.3Very high88.2Confident80 Ų80100.7 Ų100.783%0.82558%0.584SS**THydrogen-bonded Turntrans68.514.8-178.600000114.6L33L33-G35 PolarHBondContact O-N 3.36Å
36R90.1Very high87.1Confident102 Ų10297.8 Ų97.839%0.38558%0.58SS.*  trans-102.9168.1176.3-56.6-62.9-159.9-166.810.5111.1L33 L34 C46 K47 I49L33-R36 HydrophobicContact CD2-CB 4.23Å; L33-R36 WeakPolarHBondContact O-CB 3.41Å; L33-R36 PolarHBondContact O-N 2.57Å; L33-R36 VanDerWaalsContact O-N 3.13Å; L34-R36 PolarHBondContact O-N 3.21Å; R36-C46 PolarHBondContact NH1-SG 3.25Å; R36-K47 PolarHBondContact NH2-O 3.28Å; R36-K47 VanDerWaalsContact NH2-O 3.14Å; R36-I49 HydrophobicContact CG-CD1 4.15Å
37G89.5Confident86.6Confident76 Ų76101 Ų10178%0.78459%0.589SS**  trans80.627.1175.200000114.8
38S89.3Confident86.4Confident83 Ų8398.2 Ų98.258%0.5859%0.589SS**  trans-56.3129.6170.8-179.70000110I40S38-I40 PolarHBondContact OG-N 3.14Å; S38-I40 PolarHBondContact OG-O 3.02Å
39P89.4Confident86.3Confident121 Ų12197.7 Ų97.779%0.78658%0.583SS**SBendtrans-75.9-14.9172.832.8-35.3000112I41P39-I41 PolarHBondContact O-N 2.79Å
40I85.6Confident86.2Confident106 Ų10697.8 Ų97.854%0.54459%0.587SS.*SBendtrans-78.8112.6177.7-44.8-179.8000107.3S38 E42S38-I40 PolarHBondContact OG-N 3.14Å; S38-I40 PolarHBondContact OG-O 3.02Å; I40-E42 HydrophobicContact CB-CG 4.49Å; I40-E42 HydrophobicContact CG2-CG 3.66Å; I40-E42 PolarHBondContact O-N 2.9Å
41I76.9Confident86.1Confident166 Ų166102.1 Ų102.185%0.85161%0.609SS**  trans-77.471.4174.5-50.1174.9000107.8P39P39-I41 PolarHBondContact O-N 2.79Å
42E72.7Confident86.1Confident118 Ų118102.2 Ų102.255%0.55160%0.603SS**  trans-86.3140.4161-63.5-177.6-17400107.1I40 I44I40-E42 HydrophobicContact CB-CG 4.49Å; I40-E42 HydrophobicContact CG2-CG 3.66Å; I40-E42 PolarHBondContact O-N 2.9Å; E42-I44 HydrophobicContact CB-CD1 3.87Å; E42-I44 HydrophobicContact CB-CG1 3.77Å; E42-I44 PolarHBondContact O-N 2.81Å; E42-I44 VanDerWaalsContact OE2-CD1 3.32Å; E42-I44 WeakPolarHBondContact OE2-CD1 3.49Å
43N67.6Low86.1Confident166 Ų166106.1 Ų106.189%0.88862%0.617SS**  trans-69.743.4173.8-82.2-20.7000111.6P45N43-P45 WeakPolarHBondContact O-CD 3.4Å
44I68.9Low86.2Confident116 Ų116105.5 Ų105.560%0.59561%0.614SS**  trans-75.4119.4173.4-61.4170.5000107E42 C46E42-I44 HydrophobicContact CB-CD1 3.87Å; E42-I44 HydrophobicContact CB-CG1 3.77Å; E42-I44 PolarHBondContact O-N 2.81Å; E42-I44 VanDerWaalsContact OE2-CD1 3.32Å; E42-I44 WeakPolarHBondContact OE2-CD1 3.49Å; I44-C46 PolarHBondContact O-N 2.86Å
45P69.1Low86.4Confident127 Ų127100.3 Ų100.383%0.82559%0.588SS**  trans-62.5101.2179-19.931.6000111N43N43-P45 WeakPolarHBondContact O-CD 3.4Å
46C75.1Confident86.8Confident73 Ų73100.6 Ų100.649%0.49356%0.564SS.*  trans-91.3108.1173.1177.70000108.5R36 I44R36-C46 PolarHBondContact NH1-SG 3.25Å; I44-C46 PolarHBondContact O-N 2.86Å
47K85.2Confident87.2Confident170 Ų17095.8 Ų95.874%0.73955%0.546SS*.PPolyproline II helixtrans-53.1128.2174.2-70.6-174.4-179.7-179.80110.1R36R36-K47 PolarHBondContact NH2-O 3.28Å; R36-K47 VanDerWaalsContact NH2-O 3.14Å
48P91.1Very high87.4Confident122 Ų12298 Ų9879%0.79254%0.536SS*.PPolyproline II helixtrans-55.4139.8176-25.834.1000111.5
49I94.3Very high87.8Confident40 Ų4095.9 Ų95.921%0.20552%0.518CS..PPolyproline II helixtrans-84.3124.6176.5-59.9166.8000108.2A32 L33 R36 Q53 L54A32-I49 HydrophobicContact CB-CG2 3.76Å; A32-I49 VanDerWaalsContact O-CD1 3.26Å; A32-I49 WeakPolarHBondContact O-CD1 3.48Å; L33-I49 HydrophobicContact CD2-CD1 3.74Å; L33-I49 HydrophobicContact CG-CD1 4.4Å; R36-I49 HydrophobicContact CG-CD1 4.15Å; I49-Q53 HydrophobicContact CG2-CB 3.78Å; I49-L54 HydrophobicContact CB-CD2 4.25Å; I49-L54 HydrophobicContact CG2-CD2 3.86Å; I49-L54 HydrophobicContact CG2-CG 4.28Å
50P95.9Very high88.1Confident63 Ų6398 Ų9841%0.40951%0.511SS..PPolyproline II helixtrans-57.2142.4173-23.533.3000111.8S52 Q53P50-S52 PolarHBondContact O-N 2.88Å; P50-Q53 HydrophobicContact CB-CG 4.39Å; P50-Q53 HydrophobicContact CG-CG 4.48Å; P50-Q53 WeakPolarHBondContact O-CB 3.32Å; P50-Q53 PolarHBondContact O-N 2.94Å
51L95.1Very high88.6Confident116 Ų11696.4 Ų96.461%0.60750%0.503SS*.THydrogen-bonded Turntrans-56.4-27.1179.5-69.7178.8000113.8Q53 L54 R56 L69L51-Q53 PolarHBondContact O-N 3.12Å; L51-L54 HydrophobicContact CD2-CD1 3.69Å; L51-L54 PolarHBondContact O-N 3.47Å; L51-R56 PolarHBondContact O-NH1 2.86Å; L51-R56 VanDerWaalsContact O-NH1 3.14Å; L51-L69 HydrophobicContact CD2-CD2 4.43Å
52S95.6Very high89.3Confident92 Ų9295.5 Ų95.564%0.64350%0.5SS*.THydrogen-bonded Turntrans-69-20.8175.854.20000113.6P50P50-S52 PolarHBondContact O-N 2.88Å
53Q97Very high90.3Very high107 Ų10796.7 Ų96.750%0.551%0.51SS..THydrogen-bonded Turntrans-98.4-9.1-179.9-63.3-176.2-3.400113.2C30 A32 I49 P50 L51C30-Q53 PolarHBondContact SG-O 2.77Å; C30-Q53 VanDerWaalsContact SG-O 3.36Å; A32-Q53 HydrophobicContact CB-CB 3.83Å; A32-Q53 WeakPolarHBondContact CB-O 3.1Å; I49-Q53 HydrophobicContact CG2-CB 3.78Å; P50-Q53 HydrophobicContact CB-CG 4.39Å; P50-Q53 HydrophobicContact CG-CG 4.48Å; P50-Q53 WeakPolarHBondContact O-CB 3.32Å; P50-Q53 PolarHBondContact O-N 2.94Å; L51-Q53 PolarHBondContact O-N 3.12Å
54L97.8Very high91.7Very high43 Ų4394.3 Ų94.323%0.22550%0.497CS..SBendtrans-70.8165.2171.4-67.8-177.9000111.3I49 L51 R56 L69I49-L54 HydrophobicContact CB-CD2 4.25Å; I49-L54 HydrophobicContact CG2-CD2 3.86Å; I49-L54 HydrophobicContact CG2-CG 4.28Å; L51-L54 HydrophobicContact CD2-CD1 3.69Å; L51-L54 PolarHBondContact O-N 3.47Å; L54-R56 WeakPolarHBondContact O-CD 3.44Å; L54-R56 VanDerWaalsContact O-CG 3.24Å; L54-R56 WeakPolarHBondContact O-CG 3.43Å; L54-R56 PolarHBondContact O-N 2.66Å; L54-L69 HydrophobicContact CB-CD1 3.73Å; L54-L69 HydrophobicContact CD1-CD1 4.24Å
55P98.1Very high93Very high19 Ų1993 Ų9312%0.12349%0.491CS..  trans-53.3128-178.1-29.338.5000113.1I29 C30 L33 L70I29-P55 HydrophobicContact CB-CG 4.47Å; I29-P55 HydrophobicContact CD1-CB 4.47Å; I29-P55 HydrophobicContact CD1-CG 4.28Å; I29-P55 HydrophobicContact CG1-CB 4.33Å; I29-P55 HydrophobicContact CG1-CG 4.06Å; I29-P55 HydrophobicContact CG2-CG 3.71Å; C30-P55 HydrophobicContact CB-CG 4.14Å; L33-P55 HydrophobicContact CD1-CG 4.3Å; P55-L70 HydrophobicContact CB-CB 4.04Å; P55-L70 HydrophobicContact CB-CD1 4.05Å; P55-L70 HydrophobicContact CB-CG 4.48Å; P55-L70 WeakPolarHBondContact O-CB 3.38Å; P55-L70 PolarHBondContact O-N 3.04Å
56R98Very high94.3Very high86 Ų8688.7 Ų88.733%0.32546%0.463SS..BIsolated β-bridgetrans-118.4145.6-175.9-51.8-54.8-67.1-167.3-0.2111.8L51 L54 Q58 G67 G68L51-R56 PolarHBondContact O-NH1 2.86Å; L51-R56 VanDerWaalsContact O-NH1 3.14Å; L54-R56 WeakPolarHBondContact O-CD 3.44Å; L54-R56 VanDerWaalsContact O-CG 3.24Å; L54-R56 WeakPolarHBondContact O-CG 3.43Å; L54-R56 PolarHBondContact O-N 2.66Å; R56-Q58 PolarHBondContact O-N 3.35Å; R56-Q58 PolarHBondContact O-NE2 3.09Å; R56-G67 PolarHBondContact NE-O 3.17Å; R56-G67 PolarHBondContact NH2-O 3.18Å; R56-G68 CarbonylContact C-O 3.56Å; R56-G68 WeakPolarHBondContact CA-O 3.41Å
57C98Very high95.4Very high1 Ų186.4 Ų86.41%0.00745%0.451CS..  trans-67125.9-179.2-173.90000112C15 C18 N59 I65 C66 G67 G68 L70C15-C57 HydrophobicContact CB-CB 3.95Å; C15-C57 WeakPolarHBondContact SG-CB 3.29Å; C18-C57 VanDerWaalsContact SG-SG 3.68Å; C57-N59 WeakPolarHBondContact SG-CB 3.41Å; C57-N59 PolarHBondContact SG-N 2.85Å; C57-N59 VanDerWaalsContact SG-N 3.38Å; C57-I65 WeakPolarHBondContact O-CG2 3.44Å; C57-C66 HydrophobicContact CB-CB 4.18Å; C57-G67 WeakPolarHBondContact O-CA 3.17Å; C57-G67 PolarHBondContact O-N 2.96Å; C57-G68 PolarHBondContact N-O 3.33Å; C57-L70 HydrophobicContact CB-CD2 3.86Å
58Q95.8Very high96Very high122 Ų12278.4 Ų78.457%0.5742%0.417SS*.  trans-98.39.3176-57.9-57.6-35.900112.7R56R56-Q58 PolarHBondContact O-N 3.35Å; R56-Q58 PolarHBondContact O-NE2 3.09Å
59N96.6Very high96.3Very high39 Ų3974.4 Ų74.421%0.20939%0.389CS..  trans-67.1142.7176-166.925.9000110.9D20 R22 C57 C66D20-N59 HydrophobicContact CB-CB 4.13Å; R22-N59 PolarHBondContact NH2-OD1 3.08Å; C57-N59 WeakPolarHBondContact SG-CB 3.41Å; C57-N59 PolarHBondContact SG-N 2.85Å; C57-N59 VanDerWaalsContact SG-N 3.38Å; N59-C66 WeakPolarHBondContact O-CB 3.47Å; N59-C66 PolarHBondContact O-N 3.04Å
60R96.3Very high96.5Very high165 Ų16573.9 Ų73.962%0.62339%0.386SS*.EExtended strand (participates in β ladder)trans-99.9127.3176.5-73.5-173.4176.9-99.83110.2N63 N64R60-N63 PolarHBondContact NH1-O 3.01Å; R60-N64 CarbonylContact C-O 3.57Å; R60-N64 VanDerWaalsContact CA-O 3.29Å; R60-N64 WeakPolarHBondContact CA-O 3.44Å
61I94.8Very high96.6Very high73 Ų7372.3 Ų72.337%0.37437%0.372SS..EExtended strand (participates in β ladder)trans-128.9119.7177.4-54172.3000106.5C18 N63 N64 C66C18-I61 HydrophobicContact CB-CD1 3.34Å; I61-N63 VanDerWaalsContact C-N 3.32Å; I61-N63 PolarHBondContact O-N 2.97Å; I61-N64 PolarHBondContact N-O 3.31Å; I61-N64 PolarHBondContact O-N 3.28Å; I61-C66 HydrophobicContact CD1-CB 3.99Å
62N93.4Very high96.8Very high148 Ų14869.4 Ų69.479%0.79136%0.361SS*.THydrogen-bonded Turntrans50.250.2-177.1-56.7-29.1000112.6N64N62-N64 PolarHBondContact O-N 3.23Å; N62-N64 PolarHBondContact O-ND2 3.46Å
63N93.2Very high96.8Very high143 Ų14366.3 Ų66.377%0.76534%0.336SS*.THydrogen-bonded Turntrans63.2-1.6-175.9-70.5-8.9000117.3R60 I61R60-N63 PolarHBondContact NH1-O 3.01Å; I61-N63 VanDerWaalsContact C-N 3.32Å; I61-N63 PolarHBondContact O-N 2.97Å
64N96Very high96.8Very high116 Ų11662.9 Ų62.962%0.6232%0.322SS*.EExtended strand (participates in β ladder)trans-101.9147.7177.4-66.8-49.1000111.9R60 I61 N62 C66R60-N64 CarbonylContact C-O 3.57Å; R60-N64 VanDerWaalsContact CA-O 3.29Å; R60-N64 WeakPolarHBondContact CA-O 3.44Å; I61-N64 PolarHBondContact N-O 3.31Å; I61-N64 PolarHBondContact O-N 3.28Å; N62-N64 PolarHBondContact O-N 3.23Å; N62-N64 PolarHBondContact O-ND2 3.46Å; N64-C66 PolarHBondContact O-N 3.38Å
65I96.5Very high96.7Very high89 Ų8962.7 Ų62.746%0.45632%0.323SS..EExtended strand (participates in β ladder)trans-72.4126.8171.9-64.2175000107.9C57 G67C57-I65 WeakPolarHBondContact O-CG2 3.44Å; I65-G67 VanDerWaalsContact C-N 3.29Å; I65-G67 PolarHBondContact O-N 3.44Å
66C97.6Very high96.6Very high35 Ų3568.1 Ų68.124%0.23634%0.341CS..  trans-55.5-46.6177.7169.20000111.1C18 C57 N59 I61 N64 G68C18-C66 VanDerWaalsContact SG-SG 3.6Å; C57-C66 HydrophobicContact CB-CB 4.18Å; N59-C66 WeakPolarHBondContact O-CB 3.47Å; N59-C66 PolarHBondContact O-N 3.04Å; I61-C66 HydrophobicContact CD1-CB 3.99Å; N64-C66 PolarHBondContact O-N 3.38Å; C66-G68 PolarHBondContact O-N 3.06Å
67G96.9Very high96.4Very high25 Ų2573.2 Ų73.226%0.25837%0.365SS..  trans65.93.6174.100000114.3R56 C57 I65R56-G67 PolarHBondContact NE-O 3.17Å; R56-G67 PolarHBondContact NH2-O 3.18Å; C57-G67 WeakPolarHBondContact O-CA 3.17Å; C57-G67 PolarHBondContact O-N 2.96Å; I65-G67 VanDerWaalsContact C-N 3.29Å; I65-G67 PolarHBondContact O-N 3.44Å
68G97.8Very high96.2Very high2 Ų277.4 Ų77.42%0.02141%0.409CS..PPolyproline II helixtrans-61.7157.5178.700000113.4R56 C57 C66 L70R56-G68 CarbonylContact C-O 3.56Å; R56-G68 WeakPolarHBondContact CA-O 3.41Å; C57-G68 PolarHBondContact N-O 3.33Å; C66-G68 PolarHBondContact O-N 3.06Å; G68-L70 PolarHBondContact O-N 2.94Å
69L98.5Very high96.2Very high39 Ų3975.5 Ų75.520%0.20440%0.4CS..BIsolated β-bridgetrans-66.9133.2177-177.263.7000109.9L16 L51 L54L16-L69 HydrophobicContact CD1-CB 4.23Å; L16-L69 HydrophobicContact CD1-CD2 4.09Å; L16-L69 HydrophobicContact CD1-CG 4.29Å; L16-L69 WeakPolarHBondContact CG-O 3.44Å; L16-L69 PolarHBondContact N-O 3.37Å; L51-L69 HydrophobicContact CD2-CD2 4.43Å; L54-L69 HydrophobicContact CB-CD1 3.73Å; L54-L69 HydrophobicContact CD1-CD1 4.24Å
70L98.5Very high96Very high28 Ų2881 Ų8115%0.14743%0.429CS..EExtended strand (participates in β ladder)trans-90.7140172.1-61.2176.5000109.9T13 C15 P55 C57 G68T13-L70 HydrophobicContact CG2-CB 4.45Å; T13-L70 HydrophobicContact CG2-CD1 4.36Å; C15-L70 HydrophobicContact CB-CD2 3.87Å; P55-L70 HydrophobicContact CB-CB 4.04Å; P55-L70 HydrophobicContact CB-CD1 4.05Å; P55-L70 HydrophobicContact CB-CG 4.48Å; P55-L70 WeakPolarHBondContact O-CB 3.38Å; P55-L70 PolarHBondContact O-N 3.04Å; C57-L70 HydrophobicContact CB-CD2 3.86Å; G68-L70 PolarHBondContact O-N 2.94Å
71R98.1Very high95.7Very high31 Ų3174.1 Ų74.112%0.11741%0.405CS..EExtended strand (participates in β ladder)trans-112.8158.6163.262.3171.2-74.6173.9-7.9110.2T13 R14 L16 H73 V74 W76 E79T13-R71 CarbonylContact C-O 3.59Å; T13-R71 VanDerWaalsContact CA-O 3.27Å; T13-R71 WeakPolarHBondContact CA-O 3.49Å; R14-R71 HydrophobicContact CB-CG 4.28Å; R14-R71 PolarHBondContact N-O 3.24Å; R14-R71 WeakPolarHBondContact O-CG 3.45Å; R14-R71 PolarHBondContact O-N 3.23Å; L16-R71 HydrophobicContact CD2-CB 4.42Å; L16-R71 VanDerWaalsContact CD2-CD 3.49Å; L16-R71 HydrophobicContact CD2-CG 3.8Å; L16-R71 HydrophobicContact CG-CG 4.38Å; R71-H73 PolarHBondContact O-N 3.43Å; R71-V74 PolarHBondContact NH2-O 3.31Å; R71-W76 HydrophobicContact CB-CH2 4.36Å; R71-W76 VanDerWaalsContact CZ-CE3 3.45Å; R71-W76 VanDerWaalsContact NH1-CZ3 3.35Å; R71-W76 VanDerWaalsContact NH2-CE3 3.33Å; R71-E79 IonicContact CZ-OE1 3.03Å; R71-E79 IonicContact CZ-OE2 3.57Å; R71-E79 IonicContact NH1-OE1 3.41Å; R71-E79 PolarHBondContact NH1-OE1 3.13Å; R71-E79 IonicContact NH1-OE2 3.58Å; R71-E79 IonicContact NH2-OE1 3.95Å; R71-E79 PolarHBondContact NH2-OE1 3.06Å; R71-E79 IonicContact NH2-OE2 3.82Å; R71-E79 PolarHBondContact NH2-OE2 3.11Å
72P97.9Very high95.5Very high55 Ų5573.1 Ų73.136%0.35740%0.399SS..EExtended strand (participates in β ladder)trans-55.2135.6164.7-20.432.4000109.4V74P72-V74 HydrophobicContact CB-CG1 4.2Å; P72-V74 HydrophobicContact CB-CG2 4.01Å; P72-V74 PolarHBondContact O-N 3.2Å
73H96.8Very high95.4Very high27 Ų2771 Ų7113%0.12539%0.394CS..EExtended strand (participates in β ladder)trans-81.768.8175.4-179.134.3000108.9G8 N9 K12 R14 I21 R71 E82G8-H73 CarbonylContact C-O 3.54Å; G8-H73 WeakPolarHBondContact CA-O 3.35Å; N9-H73 PolarHBondContact N-O 3.02Å; K12-H73 HydrophobicContact CB-CB 3.71Å; K12-H73 WeakPolarHBondContact O-CB 3.33Å; K12-H73 PolarHBondContact O-N 3.23Å; R14-H73 HydrophobicContact CB-CB 4.16Å; R14-H73 PolarHBondContact NH2-CE1 2.83Å; R14-H73 PolarHBondContact NH2-ND1 3.34Å; I21-H73 VanDerWaalsContact CG2-CD2 3.4Å; I21-H73 WeakPolarHBondContact CG2-CD2 3.43Å; R71-H73 PolarHBondContact O-N 3.43Å; H73-E82 IonicContact CE1-OE1 3.67Å
74V96.2Very high95.2Very high35 Ų3570.2 Ų70.221%0.21239%0.385CS..EExtended strand (participates in β ladder)trans-127154.5175.4-56.40000109.1P7 R71 P72P7-V74 CarbonylContact O-C 3.55Å; P7-V74 WeakPolarHBondContact O-CA 3.46Å; P7-V74 VanDerWaalsContact O-CB 3.32Å; P7-V74 WeakPolarHBondContact O-CB 3.5Å; R71-V74 PolarHBondContact NH2-O 3.31Å; P72-V74 HydrophobicContact CB-CG1 4.2Å; P72-V74 HydrophobicContact CB-CG2 4.01Å; P72-V74 PolarHBondContact O-N 3.2Å
75V94.8Very high94.9Very high39 Ų3966.1 Ų66.124%0.23636%0.363CS..PPolyproline II helixtrans-87.7117.8173.5-178.10000108P7 E79 L81P7-V75 PolarHBondContact O-N 3.36Å; V75-E79 HydrophobicContact CG1-CB 3.87Å; V75-L81 HydrophobicContact CB-CD2 4.15Å; V75-L81 HydrophobicContact CG1-CD2 4.05Å; V75-L81 HydrophobicContact CG2-CD2 4.04Å
76W96.1Very high94.6Very high132 Ų13264.5 Ų64.550%0.535%0.354SS..PPolyproline II helixtrans-82.4161.7175.7-70.6-26.9000111.7R71 G78 E79R71-W76 HydrophobicContact CB-CH2 4.36Å; R71-W76 VanDerWaalsContact CZ-CE3 3.45Å; R71-W76 VanDerWaalsContact NH1-CZ3 3.35Å; R71-W76 VanDerWaalsContact NH2-CE3 3.33Å; W76-G78 PolarHBondContact O-N 2.99Å; W76-E79 HydrophobicContact CB-CG 4.19Å; W76-E79 PolarHBondContact N-OE2 3.12Å; W76-E79 WeakPolarHBondContact O-CB 3.36Å; W76-E79 PolarHBondContact O-N 3.25Å
77F94.4Very high94.4Very high193 Ų19366 Ų6685%0.84637%0.366SS*.THydrogen-bonded Turntrans-57.5132.4170.4-69.1-75.6000110.2E79 V108F77-E79 VanDerWaalsContact C-N 3.31Å; F77-V108 HydrophobicContact CE1-CG1 4.32Å
78G94.4Very high94.1Very high90 Ų9068.6 Ų68.693%0.92837%0.37SS*.THydrogen-bonded Turntrans87.6-9.5-173.900000114.5W76W76-G78 PolarHBondContact O-N 2.99Å
79E94.6Very high93.8Very high81 Ų8169.4 Ų69.438%0.37938%0.376SS..SBendtrans-91.7150.9172.1-62.6-174.614700111.9R71 V75 W76 F77R71-E79 IonicContact CZ-OE1 3.03Å; R71-E79 IonicContact CZ-OE2 3.57Å; R71-E79 IonicContact NH1-OE1 3.41Å; R71-E79 PolarHBondContact NH1-OE1 3.13Å; R71-E79 IonicContact NH1-OE2 3.58Å; R71-E79 IonicContact NH2-OE1 3.95Å; R71-E79 PolarHBondContact NH2-OE1 3.06Å; R71-E79 IonicContact NH2-OE2 3.82Å; R71-E79 PolarHBondContact NH2-OE2 3.11Å; V75-E79 HydrophobicContact CG1-CB 3.87Å; W76-E79 HydrophobicContact CB-CG 4.19Å; W76-E79 PolarHBondContact N-OE2 3.12Å; W76-E79 WeakPolarHBondContact O-CB 3.36Å; W76-E79 PolarHBondContact O-N 3.25Å; F77-E79 VanDerWaalsContact C-N 3.31Å
80N92.5Very high93.5Very high154 Ų15468.4 Ų68.482%0.82438%0.376SS*.PPolyproline II helixtrans-76.2138.2174.6-69.2-49.2000110.7
81L91.5Very high93.3Very high21 Ų2171.4 Ų71.411%0.1139%0.389CS..PPolyproline II helixtrans-64151162.2-66.2168.9000109.6Y6 V75 P83 L86 P110 V111Y6-L81 HydrophobicContact CD2-CD2 4.05Å; Y6-L81 WeakPolarHBondContact O-CD2 3.37Å; V75-L81 HydrophobicContact CB-CD2 4.15Å; V75-L81 HydrophobicContact CG1-CD2 4.05Å; V75-L81 HydrophobicContact CG2-CD2 4.04Å; L81-P83 WeakPolarHBondContact O-CD 3.4Å; L81-L86 HydrophobicContact CB-CD1 3.76Å; L81-L86 HydrophobicContact CB-CD2 4.32Å; L81-L86 HydrophobicContact CB-CG 3.77Å; L81-L86 HydrophobicContact CD1-CD1 4.3Å; L81-L86 HydrophobicContact CD1-CD2 3.63Å; L81-L86 HydrophobicContact CD1-CG 4.04Å; L81-P110 HydrophobicContact CD1-CG 3.53Å; L81-V111 HydrophobicContact CD1-CG2 4.34Å
82E89.7Confident93Very high52 Ų5273.3 Ų73.324%0.24340%0.4CS..PPolyproline II helixtrans-62.8125.6179.4-62-168.5162.100110.3R14 H73 H84 I85 L86R14-E82 IonicContact CZ-OE1 3.29Å; R14-E82 IonicContact NH2-OE1 3.62Å; R14-E82 PolarHBondContact NH2-OE1 3.44Å; H73-E82 IonicContact CE1-OE1 3.67Å; E82-H84 VanDerWaalsContact C-N 3.26Å; E82-H84 PolarHBondContact O-N 3.48Å; E82-H84 VanDerWaalsContact O-N 3.14Å; E82-H84 IonicContact OE2-CE1 2.68Å; E82-H84 PolarHBondContact OE2-CE1 3.07Å; E82-H84 IonicContact OE2-ND1 3.34Å; E82-H84 IonicContact OE2-NE2 2.66Å; E82-I85 HydrophobicContact CB-CB 4.49Å; E82-I85 HydrophobicContact CB-CD1 3.97Å; E82-I85 HydrophobicContact CB-CG1 4.03Å; E82-I85 HydrophobicContact CG-CD1 4.43Å; E82-I85 WeakPolarHBondContact O-CB 3.5Å; E82-I85 PolarHBondContact O-N 3.1Å; E82-L86 PolarHBondContact O-N 2.9Å; E82-L86 VanDerWaalsContact O-N 3.17Å
83P90.6Very high92.8Very high105 Ų10571.7 Ų71.768%0.68239%0.39SS*.Hα-helixtrans-56.5-37.3-170.2-29.935.2000114.1L81 I85 L86 S87L81-P83 WeakPolarHBondContact O-CD 3.4Å; P83-I85 VanDerWaalsContact C-N 3.33Å; P83-I85 PolarHBondContact O-N 3.23Å; P83-L86 PolarHBondContact O-N 3.48Å; P83-S87 WeakPolarHBondContact O-CB 3.32Å; P83-S87 PolarHBondContact O-N 2.61Å
84H90.6Very high92.6Very high126 Ų12676.9 Ų76.958%0.58341%0.414SS*.Hα-helixtrans-67.3-33.5178.873.7-91.4000112.4E82 K88E82-H84 VanDerWaalsContact C-N 3.26Å; E82-H84 PolarHBondContact O-N 3.48Å; E82-H84 VanDerWaalsContact O-N 3.14Å; E82-H84 IonicContact OE2-CE1 2.68Å; E82-H84 PolarHBondContact OE2-CE1 3.07Å; E82-H84 IonicContact OE2-ND1 3.34Å; E82-H84 IonicContact OE2-NE2 2.66Å; H84-K88 VanDerWaalsContact O-CB 3.31Å; H84-K88 WeakPolarHBondContact O-CB 3.43Å; H84-K88 PolarHBondContact O-N 3.38Å
85I89.6Confident92.6Very high29 Ų2983.2 Ų83.215%0.14944%0.439CS..Hα-helixtrans-68.1-44.7175.5-59.9-178.4000109.4E82 P83 K88 A89E82-I85 HydrophobicContact CB-CB 4.49Å; E82-I85 HydrophobicContact CB-CD1 3.97Å; E82-I85 HydrophobicContact CB-CG1 4.03Å; E82-I85 HydrophobicContact CG-CD1 4.43Å; E82-I85 WeakPolarHBondContact O-CB 3.5Å; E82-I85 PolarHBondContact O-N 3.1Å; P83-I85 VanDerWaalsContact C-N 3.33Å; P83-I85 PolarHBondContact O-N 3.23Å; I85-K88 PolarHBondContact O-N 3.2Å; I85-A89 VanDerWaalsContact O-CB 3.32Å; I85-A89 WeakPolarHBondContact O-CB 3.41Å; I85-A89 PolarHBondContact O-N 3.39Å
86L90.3Very high92.6Very high55 Ų5582.4 Ų82.429%0.28844%0.436SS..Hα-helixtrans-62.8-45176.5-82.4178.1000112.5L81 E82 P83 A89 G90 P110 F114L81-L86 HydrophobicContact CB-CD1 3.76Å; L81-L86 HydrophobicContact CB-CD2 4.32Å; L81-L86 HydrophobicContact CB-CG 3.77Å; L81-L86 HydrophobicContact CD1-CD1 4.3Å; L81-L86 HydrophobicContact CD1-CD2 3.63Å; L81-L86 HydrophobicContact CD1-CG 4.04Å; E82-L86 PolarHBondContact O-N 2.9Å; E82-L86 VanDerWaalsContact O-N 3.17Å; P83-L86 PolarHBondContact O-N 3.48Å; L86-A89 PolarHBondContact O-N 3.34Å; L86-G90 PolarHBondContact O-N 3.35Å; L86-P110 HydrophobicContact CD1-CG 4.45Å; L86-P110 HydrophobicContact CD2-CG 3.77Å; L86-F114 HydrophobicContact CD2-CZ 4.05Å
87S91.7Very high92.5Very high68 Ų6882.2 Ų82.248%0.47645%0.445SS..Hα-helixtrans-58.8-50.3177-1690000110.8P83 A89 G90 E91P83-S87 WeakPolarHBondContact O-CB 3.32Å; P83-S87 PolarHBondContact O-N 2.61Å; S87-A89 PolarHBondContact O-N 2.84Å; S87-G90 WeakPolarHBondContact O-CA 3.22Å; S87-G90 PolarHBondContact O-N 2.74Å; S87-G90 VanDerWaalsContact O-N 3.12Å; S87-E91 WeakPolarHBondContact O-CG 3.45Å; S87-E91 PolarHBondContact O-N 2.89Å
88K92.2Very high92.5Very high79 Ų7977 Ų7734%0.34343%0.429SS..Hα-helixtrans-64.6-40.2-178.8-170.6160.8-179-157.20112.3E2 F4 H84 I85 G90 E91 I92E2-K88 WeakPolarHBondContact OE1-CE 3.3Å; E2-K88 IonicContact OE1-NZ 2.74Å; E2-K88 PolarHBondContact OE1-NZ 3.5Å; E2-K88 VanDerWaalsContact OE2-CE 3.25Å; E2-K88 WeakPolarHBondContact OE2-CE 3.38Å; E2-K88 IonicContact OE2-NZ 3.35Å; E2-K88 PolarHBondContact OE2-NZ 3.16Å; F4-K88 HydrophobicContact CE1-CB 4.44Å; F4-K88 HydrophobicContact CE1-CD 3.53Å; F4-K88 HydrophobicContact CE1-CG 3.78Å; F4-K88 HydrophobicContact CZ-CD 3.77Å; F4-K88 VanDerWaalsContact CZ-CE 3.44Å; F4-K88 HydrophobicContact CZ-CG 3.85Å; H84-K88 VanDerWaalsContact O-CB 3.31Å; H84-K88 WeakPolarHBondContact O-CB 3.43Å; H84-K88 PolarHBondContact O-N 3.38Å; I85-K88 PolarHBondContact O-N 3.2Å; K88-G90 VanDerWaalsContact C-N 3.33Å; K88-E91 PolarHBondContact O-N 2.95Å; K88-I92 HydrophobicContact CG-CD1 4.43Å; K88-I92 WeakPolarHBondContact O-CG1 3.5Å; K88-I92 PolarHBondContact O-N 3.31Å; K88-I92 VanDerWaalsContact O-N 3.16Å
89A91.5Very high92.5Very high19 Ų1974 Ų7416%0.15739%0.393CS..Hα-helixtrans-61.7-43172.800000111.4I85 L86 S87 E91 I92 V93 F114I85-A89 VanDerWaalsContact O-CB 3.32Å; I85-A89 WeakPolarHBondContact O-CB 3.41Å; I85-A89 PolarHBondContact O-N 3.39Å; L86-A89 PolarHBondContact O-N 3.34Å; S87-A89 PolarHBondContact O-N 2.84Å; A89-E91 PolarHBondContact O-N 3.32Å; A89-I92 PolarHBondContact O-N 3.46Å; A89-V93 WeakPolarHBondContact O-CB 3.32Å; A89-V93 VanDerWaalsContact O-CG2 3.22Å; A89-V93 WeakPolarHBondContact O-CG2 3.39Å; A89-V93 PolarHBondContact O-N 2.91Å; A89-F114 HydrophobicContact CB-CE2 3.81Å; A89-F114 HydrophobicContact CB-CZ 4Å
90G91.5Very high92.5Very high18 Ų1873.5 Ų73.519%0.18639%0.393CS..Hα-helixtrans-59.6-44175.600000113L86 S87 K88 I92 V93 Q94L86-G90 PolarHBondContact O-N 3.35Å; S87-G90 WeakPolarHBondContact O-CA 3.22Å; S87-G90 PolarHBondContact O-N 2.74Å; S87-G90 VanDerWaalsContact O-N 3.12Å; K88-G90 VanDerWaalsContact C-N 3.33Å; G90-I92 VanDerWaalsContact C-N 3.35Å; G90-I92 PolarHBondContact O-N 3.49Å; G90-V93 PolarHBondContact O-N 3.13Å; G90-Q94 WeakPolarHBondContact O-CG 3.33Å; G90-Q94 PolarHBondContact O-N 2.94Å
91E93.5Very high92.7Very high90 Ų9066.8 Ų66.842%0.42136%0.357SS..Hα-helixtrans-61.6-40.8176.6-72.8170.8-148.300112.7S87 K88 A89 Q94 K95S87-E91 WeakPolarHBondContact O-CG 3.45Å; S87-E91 PolarHBondContact O-N 2.89Å; K88-E91 PolarHBondContact O-N 2.95Å; A89-E91 PolarHBondContact O-N 3.32Å; E91-Q94 PolarHBondContact O-N 3.09Å; E91-K95 WeakPolarHBondContact O-CG 3.25Å; E91-K95 PolarHBondContact O-N 3.36Å
92I93.1Very high92.9Very high71 Ų7168.7 Ų68.736%0.36437%0.369SS..Hα-helixtrans-66.1-46.2176.9-68.2167.1000110.2F4 K88 A89 G90 Q94 K95 A96F4-I92 HydrophobicContact CD2-CD1 4.04Å; F4-I92 HydrophobicContact CE2-CD1 3.16Å; F4-I92 HydrophobicContact CZ-CD1 3.57Å; K88-I92 HydrophobicContact CG-CD1 4.43Å; K88-I92 WeakPolarHBondContact O-CG1 3.5Å; K88-I92 PolarHBondContact O-N 3.31Å; K88-I92 VanDerWaalsContact O-N 3.16Å; A89-I92 PolarHBondContact O-N 3.46Å; G90-I92 VanDerWaalsContact C-N 3.35Å; G90-I92 PolarHBondContact O-N 3.49Å; I92-Q94 PolarHBondContact O-N 3.33Å; I92-K95 PolarHBondContact O-N 3.22Å; I92-K95 VanDerWaalsContact O-N 3.11Å; I92-A96 PolarHBondContact O-N 2.82Å
93V93.4Very high93.2Very high22 Ų2268.7 Ų68.713%0.13338%0.384CS..Hα-helixtrans-60.1-36.2175.7168.80000111.1A89 G90 K95 F114 L118 R121A89-V93 WeakPolarHBondContact O-CB 3.32Å; A89-V93 VanDerWaalsContact O-CG2 3.22Å; A89-V93 WeakPolarHBondContact O-CG2 3.39Å; A89-V93 PolarHBondContact O-N 2.91Å; G90-V93 PolarHBondContact O-N 3.13Å; V93-K95 VanDerWaalsContact C-N 3.31Å; V93-K95 PolarHBondContact O-N 3.29Å; V93-F114 HydrophobicContact CG1-CB 4.34Å; V93-F114 HydrophobicContact CG2-CB 3.86Å; V93-F114 HydrophobicContact CG2-CD1 4.38Å; V93-F114 HydrophobicContact CG2-CD2 4.26Å; V93-F114 HydrophobicContact CG2-CG 3.94Å; V93-L118 HydrophobicContact CG1-CD1 4.12Å; V93-L118 HydrophobicContact CG1-CD2 3.95Å; V93-L118 HydrophobicContact CG1-CG 3.83Å; V93-L118 WeakPolarHBondContact O-CD2 3.31Å; V93-R121 PolarHBondContact O-NH1 3.42Å; V93-R121 VanDerWaalsContact O-NH1 3.13Å
94Q92.9Very high93.3Very high135 Ų13565.5 Ų65.563%0.63137%0.366SS*.Hα-helixtrans-64.4-36.7176.2-78.2-1808.400112.7G90 E91 I92 R121G90-Q94 WeakPolarHBondContact O-CG 3.33Å; G90-Q94 PolarHBondContact O-N 2.94Å; E91-Q94 PolarHBondContact O-N 3.09Å; I92-Q94 PolarHBondContact O-N 3.33Å; Q94-R121 PolarHBondContact O-NH1 3.04Å; Q94-R121 PolarHBondContact O-NH2 3.36Å
95K95Very high93.4Very high169 Ų16963.1 Ų63.174%0.73536%0.363SS*.Hα-helixtrans-89.6-8.7-175.9-65.1171.4-174.41720114.4E91 I92 V93E91-K95 WeakPolarHBondContact O-CG 3.25Å; E91-K95 PolarHBondContact O-N 3.36Å; I92-K95 PolarHBondContact O-N 3.22Å; I92-K95 VanDerWaalsContact O-N 3.11Å; V93-K95 VanDerWaalsContact C-N 3.31Å; V93-K95 PolarHBondContact O-N 3.29Å
96A95.1Very high93.4Very high22 Ų2262.6 Ų62.618%0.18236%0.363CS..  trans-68.1135.2-176.400000112.4I92 L118I92-A96 PolarHBondContact O-N 2.82Å; A96-L118 HydrophobicContact CB-CD2 4.08Å
97D95.3Very high93.4Very high128 Ų12862.9 Ų62.968%0.68437%0.373SS*.SBendtrans-101.4-20.417357.4-9.7000112.5I123 P124D97-I123 WeakPolarHBondContact O-CG2 3.49Å; D97-P124 WeakPolarHBondContact O-CD 3.26Å
98V93.8Very high93.4Very high84 Ų8463.1 Ų63.151%0.50937%0.371SS..  trans-146.1150.2170.664.50000110.4P124V98-P124 WeakPolarHBondContact CA-O 3.33Å; V98-P124 HydrophobicContact CG2-CB 4.46Å
99C94.8Very high93.4Very high26 Ų2666 Ų6618%0.17638%0.381CS..EExtended strand (participates in β ladder)trans-135.1131.9175.8-177.80000112.3L118 P124 V125 A126C99-L118 HydrophobicContact CB-CD1 3.59Å; C99-P124 PolarHBondContact N-O 2.88Å; C99-V125 HydrophobicContact CB-CG1 4.23Å; C99-V125 HydrophobicContact CB-CG2 4.26Å; C99-V125 CarbonylContact O-C 3.57Å; C99-V125 WeakPolarHBondContact O-CA 3.27Å; C99-A126 PolarHBondContact O-N 3.37Å
100L95Very high93.4Very high71 Ų7167.5 Ų67.537%0.37239%0.389SS..EExtended strand (participates in β ladder)trans-104.9126.3169-59.1-178.1000109.5V102 A126 I128 L154 F155L100-V102 HydrophobicContact CB-CG2 4.32Å; L100-A126 CarbonylContact C-O 3.59Å; L100-A126 WeakPolarHBondContact CA-O 3.07Å; L100-A126 HydrophobicContact CD2-CB 3.77Å; L100-I128 HydrophobicContact CB-CD1 4.47Å; L100-I128 HydrophobicContact CD2-CD1 4.15Å; L100-L154 HydrophobicContact CD2-CD2 4.5Å; L100-F155 HydrophobicContact CD1-CZ 3.82Å
101V95.2Very high93.3Very high13 Ų1368.2 Ų68.28%0.07939%0.39CS..EExtended strand (participates in β ladder)trans-108.6113.7171-177.90000108.4A104 T115 V125 A126 E127 I128V101-A104 HydrophobicContact CG1-CB 3.87Å; V101-T115 HydrophobicContact CG2-CG2 3.5Å; V101-T115 VanDerWaalsContact CG2-CG2 3.5Å; V101-T115 WeakPolarHBondContact CG2-OG1 3.28Å; V101-V125 HydrophobicContact CG2-CG1 4.03Å; V101-A126 PolarHBondContact N-O 2.92Å; V101-E127 CarbonylContact O-C 3.47Å; V101-E127 WeakPolarHBondContact O-CA 3.27Å; V101-I128 PolarHBondContact O-N 2.89Å
102V96.4Very high93.1Very high60 Ų6064.5 Ų64.536%0.36437%0.374SS..EExtended strand (participates in β ladder)trans-117.4120.2-170.6-175.50000110.1L100 A104 I128 L151L100-V102 HydrophobicContact CB-CG2 4.32Å; V102-A104 VanDerWaalsContact C-N 3.26Å; V102-A104 PolarHBondContact O-N 3.31Å; V102-I128 HydrophobicContact CG2-CD1 4.25Å; V102-L151 HydrophobicContact CG1-CD1 3.86Å; V102-L151 HydrophobicContact CG2-CD1 4.23Å; V102-L151 HydrophobicContact CG2-CD2 4.21Å
103G95.4Very high93.1Very high53 Ų5363.1 Ų63.155%0.54637%0.371SS..SBendtrans59.731.2171.600000114.7I128G103-I128 PolarHBondContact N-O 2.79Å
104A93.2Very high93.1Very high38 Ų3864.2 Ų64.231%0.31437%0.374SS..  trans-110.6138.3178.700000110.4V101 V102 S106 N129 T133V101-A104 HydrophobicContact CG1-CB 3.87Å; V102-A104 VanDerWaalsContact C-N 3.26Å; V102-A104 PolarHBondContact O-N 3.31Å; A104-S106 PolarHBondContact O-N 3.35Å; A104-N129 PolarHBondContact O-ND2 2.84Å; A104-T133 WeakPolarHBondContact O-CG2 3.48Å
105S93Very high93Very high75 Ų7558.5 Ų58.552%0.52435%0.349SS..  trans-75-7.117661.10000114A107S105-A107 PolarHBondContact O-N 3.04Å; S105-A107 VanDerWaalsContact O-N 3.12Å
106S90Very high92.8Very high19 Ų1955 Ų5513%0.13333%0.331CS..SBendtrans53.729.6-177.9-59.80000114.4A104 A112A104-S106 PolarHBondContact O-N 3.35Å; S106-A112 WeakPolarHBondContact O-CB 3.3Å
107A90.5Very high92.7Very high61 Ų6156.6 Ų56.650%0.50434%0.341SS..  trans-109.4-20.9-175.800000114.6S105S105-A107 PolarHBondContact O-N 3.04Å; S105-A107 VanDerWaalsContact O-N 3.12Å
108V91.1Very high92.7Very high72 Ų7250.7 Ų50.744%0.43631%0.309SS..SBendtrans-95.1117.5-172.3-178.30000111.1F77 V111 A112F77-V108 HydrophobicContact CE1-CG1 4.32Å; V108-V111 PolarHBondContact O-N 3.21Å; V108-A112 WeakPolarHBondContact O-CB 3.09Å; V108-A112 PolarHBondContact O-N 2.62Å
109Y91.6Very high92.7Very high139 Ų13947.7 Ų47.755%0.54529%0.293SS..THydrogen-bonded Turntrans-87.6150.1177.5-80-97.3000111.9A112Y109-A112 HydrophobicContact CD2-CB 4.36Å; Y109-A112 HydrophobicContact CE2-CB 4.25Å
110P91.8Very high92.6Very high52 Ų5252.3 Ų52.334%0.33832%0.316SS..THydrogen-bonded Turncis-84.4-9.24.933.6-37.5000115.1L81 L86 A112 S113L81-P110 HydrophobicContact CD1-CG 3.53Å; L86-P110 HydrophobicContact CD1-CG 4.45Å; L86-P110 HydrophobicContact CD2-CG 3.77Å; P110-A112 VanDerWaalsContact C-N 3.3Å; P110-A112 PolarHBondContact O-N 2.89Å; P110-S113 VanDerWaalsContact O-CB 3.28Å; P110-S113 WeakPolarHBondContact O-CB 3.42Å; P110-S113 PolarHBondContact O-N 2.86Å; P110-S113 PolarHBondContact O-OG 3.36Å
111V88.7Confident92.6Very high32 Ų3254.7 Ų54.719%0.19432%0.32CS..THydrogen-bonded Turntrans-61-36.9-170.4178.90000113Y6 L81 V108 S113 F114Y6-V111 HydrophobicContact CD1-CG2 4.08Å; Y6-V111 HydrophobicContact CD2-CG2 3.57Å; Y6-V111 HydrophobicContact CE1-CG1 4.02Å; Y6-V111 HydrophobicContact CE1-CG2 4.1Å; Y6-V111 HydrophobicContact CE2-CB 4.37Å; Y6-V111 HydrophobicContact CE2-CG2 3.61Å; Y6-V111 HydrophobicContact CG-CG2 3.83Å; L81-V111 HydrophobicContact CD1-CG2 4.34Å; V108-V111 PolarHBondContact O-N 3.21Å; V111-S113 PolarHBondContact O-N 2.81Å; V111-S113 VanDerWaalsContact O-N 3.09Å; V111-F114 HydrophobicContact CG1-CD2 4.25Å; V111-F114 HydrophobicContact CG2-CE2 4.47Å; V111-F114 WeakPolarHBondContact O-CB 3.32Å; V111-F114 PolarHBondContact O-N 2.93Å; V111-F114 VanDerWaalsContact O-N 3.1Å
112A91.1Very high92.6Very high12 Ų1256.8 Ų56.810%0.09935%0.345CS..Hα-helixtrans-57.1-24.1174.700000114S106 V108 Y109 P110 F114S106-A112 WeakPolarHBondContact O-CB 3.3Å; V108-A112 WeakPolarHBondContact O-CB 3.09Å; V108-A112 PolarHBondContact O-N 2.62Å; Y109-A112 HydrophobicContact CD2-CB 4.36Å; Y109-A112 HydrophobicContact CE2-CB 4.25Å; P110-A112 VanDerWaalsContact C-N 3.3Å; P110-A112 PolarHBondContact O-N 2.89Å; A112-F114 VanDerWaalsContact C-N 3.33Å; A112-F114 PolarHBondContact O-N 3.42Å
113S92.2Very high92.6Very high43 Ų4355.5 Ų55.530%0.30134%0.335SS..Hα-helixtrans-71.6-24.6178.872.80000113.6P110 V111 R116 S117P110-S113 VanDerWaalsContact O-CB 3.28Å; P110-S113 WeakPolarHBondContact O-CB 3.42Å; P110-S113 PolarHBondContact O-N 2.86Å; P110-S113 PolarHBondContact O-OG 3.36Å; V111-S113 PolarHBondContact O-N 2.81Å; V111-S113 VanDerWaalsContact O-N 3.09Å; S113-R116 PolarHBondContact O-N 3.44Å; S113-S117 WeakPolarHBondContact O-CB 3.28Å; S113-S117 PolarHBondContact O-N 2.9Å
114F92.6Very high92.7Very high45 Ų4555 Ų5520%0.19732%0.323CS..Hα-helixtrans-63.9-47.5-177.3-63.3-26000111.8L86 A89 V93 V111 A112 R116 S117 L118L86-F114 HydrophobicContact CD2-CZ 4.05Å; A89-F114 HydrophobicContact CB-CE2 3.81Å; A89-F114 HydrophobicContact CB-CZ 4Å; V93-F114 HydrophobicContact CG1-CB 4.34Å; V93-F114 HydrophobicContact CG2-CB 3.86Å; V93-F114 HydrophobicContact CG2-CD1 4.38Å; V93-F114 HydrophobicContact CG2-CD2 4.26Å; V93-F114 HydrophobicContact CG2-CG 3.94Å; V111-F114 HydrophobicContact CG1-CD2 4.25Å; V111-F114 HydrophobicContact CG2-CE2 4.47Å; V111-F114 WeakPolarHBondContact O-CB 3.32Å; V111-F114 PolarHBondContact O-N 2.93Å; V111-F114 VanDerWaalsContact O-N 3.1Å; A112-F114 VanDerWaalsContact C-N 3.33Å; A112-F114 PolarHBondContact O-N 3.42Å; F114-R116 VanDerWaalsContact C-N 3.34Å; F114-R116 PolarHBondContact O-N 3.42Å; F114-S117 WeakPolarHBondContact O-CB 3.32Å; F114-S117 PolarHBondContact O-N 3.33Å; F114-L118 WeakPolarHBondContact O-CG 3.45Å; F114-L118 PolarHBondContact O-N 3.17Å
115T92.3Very high92.8Very high15 Ų1553.3 Ų53.39%0.09231%0.308CS..Hα-helixtrans-59.1-46177.2-51.20000111.6V101 S117 L118 A119 V125 L139V101-T115 HydrophobicContact CG2-CG2 3.5Å; V101-T115 VanDerWaalsContact CG2-CG2 3.5Å; V101-T115 WeakPolarHBondContact CG2-OG1 3.28Å; T115-S117 VanDerWaalsContact C-N 3.34Å; T115-S117 PolarHBondContact O-N 3.01Å; T115-L118 PolarHBondContact O-N 3.12Å; T115-A119 PolarHBondContact O-N 2.89Å; T115-V125 HydrophobicContact CG2-CG1 3.59Å; T115-L139 HydrophobicContact CG2-CD1 4.24Å; T115-L139 HydrophobicContact CG2-CD2 3.61Å
116R90.3Very high92.9Very high94 Ų9450.1 Ų50.136%0.35529%0.286SS..Hα-helixtrans-64.4-39.3178.5-174.3174.1-70.3-179.9-1.8111.8S113 F114 L118 A119 N120 L138S113-R116 PolarHBondContact O-N 3.44Å; F114-R116 VanDerWaalsContact C-N 3.34Å; F114-R116 PolarHBondContact O-N 3.42Å; R116-L118 VanDerWaalsContact C-N 3.34Å; R116-L118 PolarHBondContact O-N 2.92Å; R116-A119 PolarHBondContact O-N 2.86Å; R116-N120 WeakPolarHBondContact O-CB 3.16Å; R116-N120 PolarHBondContact O-N 3.02Å; R116-L138 HydrophobicContact CG-CD1 4.1Å; R116-L138 VanDerWaalsContact NE-CD1 3.25Å
117S93.6Very high93.3Very high56 Ų5649.2 Ų49.239%0.39228%0.28SS..Hα-helixtrans-60.9-42.1176.6-177.60000112.1S113 F114 T115 R121S113-S117 WeakPolarHBondContact O-CB 3.28Å; S113-S117 PolarHBondContact O-N 2.9Å; F114-S117 WeakPolarHBondContact O-CB 3.32Å; F114-S117 PolarHBondContact O-N 3.33Å; T115-S117 VanDerWaalsContact C-N 3.34Å; T115-S117 PolarHBondContact O-N 3.01Å; S117-R121 WeakPolarHBondContact O-CG 3.2Å; S117-R121 PolarHBondContact O-N 3.18Å
118L95.1Very high93.6Very high4 Ų446.3 Ų46.32%0.02126%0.256CS..Hα-helixtrans-65.3-49176.4-71.1168.7000112.1V93 A96 C99 F114 T115 R116 N120 R121 G122 I123 V125V93-L118 HydrophobicContact CG1-CD1 4.12Å; V93-L118 HydrophobicContact CG1-CD2 3.95Å; V93-L118 HydrophobicContact CG1-CG 3.83Å; V93-L118 WeakPolarHBondContact O-CD2 3.31Å; A96-L118 HydrophobicContact CB-CD2 4.08Å; C99-L118 HydrophobicContact CB-CD1 3.59Å; F114-L118 WeakPolarHBondContact O-CG 3.45Å; F114-L118 PolarHBondContact O-N 3.17Å; T115-L118 PolarHBondContact O-N 3.12Å; R116-L118 VanDerWaalsContact C-N 3.34Å; R116-L118 PolarHBondContact O-N 2.92Å; L118-N120 VanDerWaalsContact C-N 3.31Å; L118-N120 PolarHBondContact O-N 3.09Å; L118-R121 WeakPolarHBondContact O-CB 3.45Å; L118-R121 PolarHBondContact O-N 3.47Å; L118-G122 PolarHBondContact O-N 2.87Å; L118-I123 HydrophobicContact CB-CB 4.17Å; L118-I123 HydrophobicContact CD2-CB 4.15Å; L118-I123 HydrophobicContact CD2-CG1 4.03Å; L118-I123 HydrophobicContact CD2-CG2 4.17Å; L118-I123 WeakPolarHBondContact O-CB 3.33Å; L118-I123 PolarHBondContact O-N 2.72Å; L118-V125 HydrophobicContact CB-CG2 3.84Å
119A93.6Very high93.9Very high21 Ų2144.1 Ų44.117%0.17424%0.242CC..Hα-helixtrans-58.2-43.9177.700000111.8T115 R116 R121 G122 V125 L138 L139T115-A119 PolarHBondContact O-N 2.89Å; R116-A119 PolarHBondContact O-N 2.86Å; A119-R121 PolarHBondContact O-N 3.21Å; A119-G122 PolarHBondContact O-N 2.97Å; A119-V125 HydrophobicContact CB-CG2 4.19Å; A119-L138 WeakPolarHBondContact CB-O 3.17Å; A119-L139 HydrophobicContact CB-CD2 4.17Å
120N93Very high94.2Very high124 Ų12441.1 Ų41.166%0.66324%0.238SC*.Hα-helixtrans-63.7-24.4177.2-73.2-8.1000113.7R116 L118 G122R116-N120 WeakPolarHBondContact O-CB 3.16Å; R116-N120 PolarHBondContact O-N 3.02Å; L118-N120 VanDerWaalsContact C-N 3.31Å; L118-N120 PolarHBondContact O-N 3.09Å; N120-G122 VanDerWaalsContact C-N 3.28Å
121R94.9Very high94.4Very high120 Ų12045.5 Ų45.545%0.45325%0.254SS..THydrogen-bonded Turntrans-85.10.1174-73.5170.156.6-157-1.6113.1V93 Q94 S117 L118 A119 I123V93-R121 PolarHBondContact O-NH1 3.42Å; V93-R121 VanDerWaalsContact O-NH1 3.13Å; Q94-R121 PolarHBondContact O-NH1 3.04Å; Q94-R121 PolarHBondContact O-NH2 3.36Å; S117-R121 WeakPolarHBondContact O-CG 3.2Å; S117-R121 PolarHBondContact O-N 3.18Å; L118-R121 WeakPolarHBondContact O-CB 3.45Å; L118-R121 PolarHBondContact O-N 3.47Å; A119-R121 PolarHBondContact O-N 3.21Å; R121-I123 VanDerWaalsContact C-N 3.26Å; R121-I123 HydrophobicContact CB-CG1 4.1Å; R121-I123 PolarHBondContact O-N 3.34Å
122G94.9Very high94.7Very high58 Ų5849 Ų4960%0.59828%0.275SS*.THydrogen-bonded Turntrans74.313.6-174.800000113.9L118 A119 N120 P124L118-G122 PolarHBondContact O-N 2.87Å; A119-G122 PolarHBondContact O-N 2.97Å; N120-G122 VanDerWaalsContact C-N 3.28Å; G122-P124 WeakPolarHBondContact O-CD 3.36Å
123I96.7Very high94.9Very high32 Ų3249 Ų4916%0.16427%0.274CS..  trans-71.9129.1173.2-56.1-53.6000108.2D97 L118 R121 V125D97-I123 WeakPolarHBondContact O-CG2 3.49Å; L118-I123 HydrophobicContact CB-CB 4.17Å; L118-I123 HydrophobicContact CD2-CB 4.15Å; L118-I123 HydrophobicContact CD2-CG1 4.03Å; L118-I123 HydrophobicContact CD2-CG2 4.17Å; L118-I123 WeakPolarHBondContact O-CB 3.33Å; L118-I123 PolarHBondContact O-N 2.72Å; R121-I123 VanDerWaalsContact C-N 3.26Å; R121-I123 HydrophobicContact CB-CG1 4.1Å; R121-I123 PolarHBondContact O-N 3.34Å; I123-V125 WeakPolarHBondContact O-CG2 3.48Å; I123-V125 PolarHBondContact O-N 2.87Å; I123-V125 VanDerWaalsContact O-N 3.12Å
124P95.8Very high94.9Very high44 Ų4451.1 Ų51.129%0.28629%0.287SS..  trans-55.7117.8174.5-27.334.5000112D97 V98 C99 G122 Y141D97-P124 WeakPolarHBondContact O-CD 3.26Å; V98-P124 WeakPolarHBondContact CA-O 3.33Å; V98-P124 HydrophobicContact CG2-CB 4.46Å; C99-P124 PolarHBondContact N-O 2.88Å; G122-P124 WeakPolarHBondContact O-CD 3.36Å; P124-Y141 HydrophobicContact CB-CE2 4.39Å
125V96.3Very high94.9Very high1 Ų149.3 Ų49.31%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-115.5125.7172.3-170.30000109C99 V101 T115 L118 A119 I123 L139 Q140 Y141C99-V125 HydrophobicContact CB-CG1 4.23Å; C99-V125 HydrophobicContact CB-CG2 4.26Å; C99-V125 CarbonylContact O-C 3.57Å; C99-V125 WeakPolarHBondContact O-CA 3.27Å; V101-V125 HydrophobicContact CG2-CG1 4.03Å; T115-V125 HydrophobicContact CG2-CG1 3.59Å; L118-V125 HydrophobicContact CB-CG2 3.84Å; A119-V125 HydrophobicContact CB-CG2 4.19Å; I123-V125 WeakPolarHBondContact O-CG2 3.48Å; I123-V125 PolarHBondContact O-N 2.87Å; I123-V125 VanDerWaalsContact O-N 3.12Å; V125-L139 HydrophobicContact CB-CB 4.49Å; V125-L139 HydrophobicContact CB-CD2 4.16Å; V125-L139 HydrophobicContact CG1-CD1 4.31Å; V125-L139 HydrophobicContact CG1-CD2 4.02Å; V125-Q140 PolarHBondContact O-N 2.66Å; V125-Y141 PolarHBondContact O-N 3.44Å; V125-Y141 VanDerWaalsContact O-N 3.09Å
126A95.5Very high95.1Very high8 Ų849.6 Ų49.67%0.06628%0.282CS..EExtended strand (participates in β ladder)trans-111.3126.3170.300000111.4C99 L100 V101 Y141 F143C99-A126 PolarHBondContact O-N 3.37Å; L100-A126 CarbonylContact C-O 3.59Å; L100-A126 WeakPolarHBondContact CA-O 3.07Å; L100-A126 HydrophobicContact CD2-CB 3.77Å; V101-A126 PolarHBondContact N-O 2.92Å; A126-Y141 WeakPolarHBondContact CA-O 3.24Å; A126-Y141 HydrophobicContact CB-CD2 4.23Å; A126-Y141 HydrophobicContact CB-CG 4.42Å; A126-F143 HydrophobicContact CB-CD2 4.3Å; A126-F143 HydrophobicContact CB-CE2 3.92Å
127E97Very high95.3Very high1 Ų152.1 Ų52.11%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-95.3133.7171.6-177179.5-116.800110.4V101 N129 T133 T136 L139 Y141 H142 F143V101-E127 CarbonylContact O-C 3.47Å; V101-E127 WeakPolarHBondContact O-CA 3.27Å; E127-N129 HydrophobicContact CG-CB 4.08Å; E127-T133 WeakPolarHBondContact OE1-CB 3.44Å; E127-T133 WeakPolarHBondContact OE1-CG2 3.32Å; E127-T133 PolarHBondContact OE1-OG1 3.48Å; E127-T136 WeakPolarHBondContact OE2-CB 3.49Å; E127-T136 PolarHBondContact OE2-OG1 3.29Å; E127-L139 HydrophobicContact CB-CD1 3.62Å; E127-L139 HydrophobicContact CG-CD1 4.35Å; E127-Y141 PolarHBondContact N-O 3.43Å; E127-H142 CarbonylContact O-C 3.49Å; E127-H142 WeakPolarHBondContact O-CA 3.45Å; E127-H142 IonicContact OE2-CE1 3.47Å; E127-H142 PolarHBondContact OE2-CE1 2.93Å; E127-H142 IonicContact OE2-CG 3.83Å; E127-H142 IonicContact OE2-ND1 2.74Å; E127-H142 PolarHBondContact OE2-ND1 2.8Å; E127-F143 PolarHBondContact O-N 3.38Å
128I97.4Very high95.3Very high0 Ų052.4 Ų52.40%029%0.294CS..EExtended strand (participates in β ladder)trans-119.1105171.2-60.685.6000106.6L100 V101 V102 G103 F143 V150 L151L100-I128 HydrophobicContact CB-CD1 4.47Å; L100-I128 HydrophobicContact CD2-CD1 4.15Å; V101-I128 PolarHBondContact O-N 2.89Å; V102-I128 HydrophobicContact CG2-CD1 4.25Å; G103-I128 PolarHBondContact N-O 2.79Å; I128-F143 HydrophobicContact CD1-CD2 4.45Å; I128-F143 HydrophobicContact CG1-CB 4.23Å; I128-F143 HydrophobicContact CG1-CD2 4.17Å; I128-V150 HydrophobicContact CG1-CG1 4.21Å; I128-V150 HydrophobicContact CG2-CB 3.83Å; I128-V150 HydrophobicContact CG2-CG1 3.8Å; I128-V150 HydrophobicContact CG2-CG2 4.41Å; I128-L151 HydrophobicContact CD1-CD2 4.06Å; I128-L151 HydrophobicContact CG1-CD2 4.05Å
129N97.7Very high95.2Very high26 Ų2653.1 Ų53.114%0.13930%0.298CS..EExtended strand (participates in β ladder)trans-151.8154.1-177.4-1574.7000111.6A104 E127 E131 T133 F143 Q144 G145A104-N129 PolarHBondContact O-ND2 2.84Å; E127-N129 HydrophobicContact CG-CB 4.08Å; N129-E131 VanDerWaalsContact C-N 3.28Å; N129-E131 WeakPolarHBondContact CB-O 3.4Å; N129-E131 PolarHBondContact ND2-O 3.03Å; N129-T133 VanDerWaalsContact ND2-CG2 3.32Å; N129-T133 WeakPolarHBondContact ND2-CG2 3.36Å; N129-F143 PolarHBondContact N-O 3.48Å; N129-Q144 CarbonylContact O-C 3.46Å; N129-Q144 VanDerWaalsContact O-CA 3.3Å; N129-Q144 WeakPolarHBondContact O-CA 3.44Å; N129-G145 CarbonylContact C-O 3.26Å; N129-G145 VanDerWaalsContact C-O 3.26Å; N129-G145 PolarHBondContact O-N 3.33Å
130V97.5Very high95.3Very high76 Ų7657.4 Ų57.446%0.46131%0.314SS..SBendtrans-70.1-33.4179-178.60000110.7Q144 G145 K146V130-Q144 WeakPolarHBondContact O-CG 3.46Å; V130-Q144 PolarHBondContact O-NE2 3.03Å; V130-Q144 VanDerWaalsContact O-NE2 3.1Å; V130-G145 PolarHBondContact N-O 2.93Å; V130-K146 HydrophobicContact CG2-CG 4.25Å
131E96Very high95.4Very high144 Ų14456.8 Ų56.867%0.67330%0.304SS*.SBendtrans-122.8156.4-177.6-62.4177.7-179.800110.4N129N129-E131 VanDerWaalsContact C-N 3.28Å; N129-E131 WeakPolarHBondContact CB-O 3.4Å; N129-E131 PolarHBondContact ND2-O 3.03Å
132V96.2Very high95.5Very high104 Ų10453.7 Ų53.763%0.6329%0.294SS*.  trans-69.2149.4168.8-62.10000110.4T136V132-T136 HydrophobicContact CB-CG2 4.45Å; V132-T136 HydrophobicContact CG1-CG2 4.3Å
133T95Very high95.6Very high14 Ų1454.5 Ų54.59%0.08628%0.281CS..  trans-116.9165.5179.676.80000110.7A104 E127 N129 A135 T136A104-T133 WeakPolarHBondContact O-CG2 3.48Å; E127-T133 WeakPolarHBondContact OE1-CB 3.44Å; E127-T133 WeakPolarHBondContact OE1-CG2 3.32Å; E127-T133 PolarHBondContact OE1-OG1 3.48Å; N129-T133 VanDerWaalsContact ND2-CG2 3.32Å; N129-T133 WeakPolarHBondContact ND2-CG2 3.36Å; T133-A135 PolarHBondContact O-N 3.14Å; T133-A135 PolarHBondContact OG1-N 2.73Å; T133-T136 PolarHBondContact N-OG1 2.9Å; T133-T136 PolarHBondContact O-N 3.46Å; T133-T136 VanDerWaalsContact O-N 3.09Å; T133-T136 PolarHBondContact O-OG1 3.49Å; T133-T136 PolarHBondContact OG1-N 2.95Å; T133-T136 PolarHBondContact OG1-OG1 2.96Å
134P91.6Very high95.6Very high86 Ų8659.7 Ų59.756%0.55831%0.305SS*.THydrogen-bonded Turntrans-58.5-14.2171-25.335.7000114.1H137P134-H137 PolarHBondContact O-CE1 3.29Å; P134-H137 PolarHBondContact O-ND1 2.72Å
135A93.5Very high95.6Very high7 Ų758.5 Ų58.56%0.05830%0.301CS..THydrogen-bonded Turntrans-93.8-23.2176.700000113.3T133 H137 L138 L139T133-A135 PolarHBondContact O-N 3.14Å; T133-A135 PolarHBondContact OG1-N 2.73Å; A135-H137 VanDerWaalsContact C-N 3.28Å; A135-H137 PolarHBondContact O-N 2.68Å; A135-H137 VanDerWaalsContact O-N 3.08Å; A135-L138 VanDerWaalsContact O-CB 3.29Å; A135-L138 WeakPolarHBondContact O-CB 3.45Å; A135-L138 PolarHBondContact O-N 3.03Å; A135-L139 WeakPolarHBondContact O-CG 3.39Å
136T95.1Very high95.7Very high22 Ų2265.1 Ų65.114%0.13533%0.329CS..G310 helixtrans-48.7-44-169.3-56.90000113.9E127 V132 T133 L138 L139 H142E127-T136 WeakPolarHBondContact OE2-CB 3.49Å; E127-T136 PolarHBondContact OE2-OG1 3.29Å; V132-T136 HydrophobicContact CB-CG2 4.45Å; V132-T136 HydrophobicContact CG1-CG2 4.3Å; T133-T136 PolarHBondContact N-OG1 2.9Å; T133-T136 PolarHBondContact O-N 3.46Å; T133-T136 VanDerWaalsContact O-N 3.09Å; T133-T136 PolarHBondContact O-OG1 3.49Å; T133-T136 PolarHBondContact OG1-N 2.95Å; T133-T136 PolarHBondContact OG1-OG1 2.96Å; T136-L138 PolarHBondContact O-N 3.14Å; T136-L138 VanDerWaalsContact O-N 3.14Å; T136-L139 PolarHBondContact O-N 3.48Å; T136-H142 HydrophobicContact CG2-CB 3.78Å
137H94.3Very high95.8Very high147 Ų14767 Ų6768%0.68134%0.342SS*.G310 helixtrans-66.4-14.2-178.667-86.7000114.4P134 A135P134-H137 PolarHBondContact O-CE1 3.29Å; P134-H137 PolarHBondContact O-ND1 2.72Å; A135-H137 VanDerWaalsContact C-N 3.28Å; A135-H137 PolarHBondContact O-N 2.68Å; A135-H137 VanDerWaalsContact O-N 3.08Å
138L93.2Very high95.7Very high61 Ų6169.6 Ų69.632%0.31937%0.369SS..G310 helixtrans-92.6-12.2176.1-55.1172.6000112R116 A119 A135 T136R116-L138 HydrophobicContact CG-CD1 4.1Å; R116-L138 VanDerWaalsContact NE-CD1 3.25Å; A119-L138 WeakPolarHBondContact CB-O 3.17Å; A135-L138 VanDerWaalsContact O-CB 3.29Å; A135-L138 WeakPolarHBondContact O-CB 3.45Å; A135-L138 PolarHBondContact O-N 3.03Å; T136-L138 PolarHBondContact O-N 3.14Å; T136-L138 VanDerWaalsContact O-N 3.14Å
139L94.7Very high95.7Very high20 Ų2074 Ų7411%0.10539%0.393CS..SBendtrans-97.5150.8-170.5-47-176.6000110.5T115 A119 V125 E127 A135 T136T115-L139 HydrophobicContact CG2-CD1 4.24Å; T115-L139 HydrophobicContact CG2-CD2 3.61Å; A119-L139 HydrophobicContact CB-CD2 4.17Å; V125-L139 HydrophobicContact CB-CB 4.49Å; V125-L139 HydrophobicContact CB-CD2 4.16Å; V125-L139 HydrophobicContact CG1-CD1 4.31Å; V125-L139 HydrophobicContact CG1-CD2 4.02Å; E127-L139 HydrophobicContact CB-CD1 3.62Å; E127-L139 HydrophobicContact CG-CD1 4.35Å; A135-L139 WeakPolarHBondContact O-CG 3.39Å; T136-L139 PolarHBondContact O-N 3.48Å
140Q95.4Very high95.6Very high110 Ų11073.9 Ų73.951%0.51439%0.393SS..SBendtrans-73.2-33.9-177.8-171.9172.8-12.100112.1V125V125-Q140 PolarHBondContact O-N 2.66Å
141Y95.7Very high95.5Very high112 Ų11272 Ų7244%0.43938%0.38SS..EExtended strand (participates in β ladder)trans-133.6142.3-179.6-51.1-79.6000111.3P124 V125 A126 E127P124-Y141 HydrophobicContact CB-CE2 4.39Å; V125-Y141 PolarHBondContact O-N 3.44Å; V125-Y141 VanDerWaalsContact O-N 3.09Å; A126-Y141 WeakPolarHBondContact CA-O 3.24Å; A126-Y141 HydrophobicContact CB-CD2 4.23Å; A126-Y141 HydrophobicContact CB-CG 4.42Å; E127-Y141 PolarHBondContact N-O 3.43Å
142H96.6Very high95.4Very high55 Ų5568.1 Ų68.126%0.25537%0.367SS..EExtended strand (participates in β ladder)trans-134.2119.9168.6174.981.9000108.8E127 T136E127-H142 CarbonylContact O-C 3.49Å; E127-H142 WeakPolarHBondContact O-CA 3.45Å; E127-H142 IonicContact OE2-CE1 3.47Å; E127-H142 PolarHBondContact OE2-CE1 2.93Å; E127-H142 IonicContact OE2-CG 3.83Å; E127-H142 IonicContact OE2-ND1 2.74Å; E127-H142 PolarHBondContact OE2-ND1 2.8Å; T136-H142 HydrophobicContact CG2-CB 3.78Å
143F96.1Very high95.2Very high75 Ų7570.3 Ų70.333%0.32937%0.369SS..EExtended strand (participates in β ladder)trans-106.6104174.3-59.7-79000108.6A126 E127 I128 N129 G145 V150 L154A126-F143 HydrophobicContact CB-CD2 4.3Å; A126-F143 HydrophobicContact CB-CE2 3.92Å; E127-F143 PolarHBondContact O-N 3.38Å; I128-F143 HydrophobicContact CD1-CD2 4.45Å; I128-F143 HydrophobicContact CG1-CB 4.23Å; I128-F143 HydrophobicContact CG1-CD2 4.17Å; N129-F143 PolarHBondContact N-O 3.48Å; F143-G145 PolarHBondContact O-N 2.97Å; F143-V150 HydrophobicContact CB-CG1 3.76Å; F143-V150 HydrophobicContact CG-CG1 4.39Å; F143-L154 HydrophobicContact CE2-CD1 4.42Å; F143-L154 HydrophobicContact CZ-CD1 4.2Å
144Q96.9Very high94.9Very high140 Ų14071.7 Ų71.765%0.65438%0.375SS*.EExtended strand (participates in β ladder)trans-73.7125.9-179.7-164.7176.3600110.9N129 V130N129-Q144 CarbonylContact O-C 3.46Å; N129-Q144 VanDerWaalsContact O-CA 3.3Å; N129-Q144 WeakPolarHBondContact O-CA 3.44Å; V130-Q144 WeakPolarHBondContact O-CG 3.46Å; V130-Q144 PolarHBondContact O-NE2 3.03Å; V130-Q144 VanDerWaalsContact O-NE2 3.1Å
145G96.7Very high94.8Very high20 Ų2072.4 Ų72.421%0.20637%0.37CS..SBendtrans149.4179.5174.400000114.1N129 V130 F143 S147N129-G145 CarbonylContact C-O 3.26Å; N129-G145 VanDerWaalsContact C-O 3.26Å; N129-G145 PolarHBondContact O-N 3.33Å; V130-G145 PolarHBondContact N-O 2.93Å; F143-G145 PolarHBondContact O-N 2.97Å; G145-S147 PolarHBondContact O-N 3.43Å
146K97.4Very high94.5Very high139 Ų13978.6 Ų78.660%0.60440%0.402SS*.  trans-69.7131.5174.4-61.7178-175.8172.40109V130 G148 D149 V150V130-K146 HydrophobicContact CG2-CG 4.25Å; K146-G148 PolarHBondContact O-N 2.87Å; K146-D149 WeakPolarHBondContact CB-OD2 3.48Å; K146-D149 PolarHBondContact O-N 3.05Å; K146-V150 WeakPolarHBondContact O-CG2 3.36Å; K146-V150 PolarHBondContact O-N 2.75Å
147S96.9Very high93.7Very high48 Ų4881.6 Ų81.634%0.33642%0.424SS..Hα-helixtrans-57.4-34.4179.355.70000113.1G145 D149 V150 L151G145-S147 PolarHBondContact O-N 3.43Å; S147-D149 PolarHBondContact O-N 3.14Å; S147-V150 PolarHBondContact O-N 2.71Å; S147-L151 VanDerWaalsContact O-CB 3.29Å; S147-L151 WeakPolarHBondContact O-CB 3.35Å; S147-L151 WeakPolarHBondContact O-CG 3.38Å; S147-L151 PolarHBondContact O-N 3.38Å
148G96.5Very high92.6Very high56 Ų5679 Ų7958%0.57741%0.414SS*.Hα-helixtrans-63.4-22.6175.200000114.8K146 P152K146-G148 PolarHBondContact O-N 2.87Å; G148-P152 WeakPolarHBondContact O-CD 3.44Å; G148-P152 WeakPolarHBondContact O-CG 3.44Å
149D96.4Very high91Very high91 Ų9181.9 Ų81.949%0.48743%0.434SS..Hα-helixtrans-99-35178.6-59.3-37.2000111.9K146 S147 K153K146-D149 WeakPolarHBondContact CB-OD2 3.48Å; K146-D149 PolarHBondContact O-N 3.05Å; S147-D149 PolarHBondContact O-N 3.14Å; D149-K153 WeakPolarHBondContact O-CG 3.44Å
150V95.4Very high89.1Confident25 Ų2588.9 Ų88.915%0.15247%0.471CS..Hα-helixtrans-82.1-45.6-174.3175.50000111.9I128 F143 K146 S147 K153 L154I128-V150 HydrophobicContact CG1-CG1 4.21Å; I128-V150 HydrophobicContact CG2-CB 3.83Å; I128-V150 HydrophobicContact CG2-CG1 3.8Å; I128-V150 HydrophobicContact CG2-CG2 4.41Å; F143-V150 HydrophobicContact CB-CG1 3.76Å; F143-V150 HydrophobicContact CG-CG1 4.39Å; K146-V150 WeakPolarHBondContact O-CG2 3.36Å; K146-V150 PolarHBondContact O-N 2.75Å; S147-V150 PolarHBondContact O-N 2.71Å; V150-K153 PolarHBondContact O-N 2.97Å; V150-L154 PolarHBondContact O-N 2.99Å
151L95.1Very high86.9Confident36 Ų3693 Ų9319%0.18850%0.504CS..Hα-helixtrans-62-44.7-175.1-69.9173.8000112.9V102 I128 S147 K153 L154 F155V102-L151 HydrophobicContact CG1-CD1 3.86Å; V102-L151 HydrophobicContact CG2-CD1 4.23Å; V102-L151 HydrophobicContact CG2-CD2 4.21Å; I128-L151 HydrophobicContact CD1-CD2 4.06Å; I128-L151 HydrophobicContact CG1-CD2 4.05Å; S147-L151 VanDerWaalsContact O-CB 3.29Å; S147-L151 WeakPolarHBondContact O-CB 3.35Å; S147-L151 WeakPolarHBondContact O-CG 3.38Å; S147-L151 PolarHBondContact O-N 3.38Å; L151-K153 VanDerWaalsContact C-N 3.32Å; L151-K153 PolarHBondContact O-N 3.38Å; L151-L154 PolarHBondContact O-N 3.46Å; L151-L154 VanDerWaalsContact O-N 3.16Å; L151-F155 HydrophobicContact CB-CD2 4.29Å; L151-F155 HydrophobicContact CB-CE2 4.29Å; L151-F155 HydrophobicContact CD2-CE2 4.05Å; L151-F155 WeakPolarHBondContact O-CD2 3.39Å; L151-F155 PolarHBondContact O-N 2.85Å
152P94.2Very high86.4Confident62 Ų6292 Ų9240%0.40351%0.507SS..Hα-helixtrans-55.2-47.2176.3-2736.5000112G148 L154 F155 D156G148-P152 WeakPolarHBondContact O-CD 3.44Å; G148-P152 WeakPolarHBondContact O-CG 3.44Å; P152-L154 VanDerWaalsContact C-N 3.31Å; P152-L154 PolarHBondContact O-N 3.12Å; P152-F155 PolarHBondContact O-N 3.21Å; P152-D156 WeakPolarHBondContact O-CB 3.29Å; P152-D156 PolarHBondContact O-N 2.94Å
153K93.2Very high85.9Confident151 Ų15193.9 Ų93.966%0.65752%0.52SS*.Hα-helixtrans-60.8-39.4178.5-62.8176.4-175.1177.10112.8D149 V150 L151 S157D149-K153 WeakPolarHBondContact O-CG 3.44Å; V150-K153 PolarHBondContact O-N 2.97Å; L151-K153 VanDerWaalsContact C-N 3.32Å; L151-K153 PolarHBondContact O-N 3.38Å; K153-S157 PolarHBondContact O-N 3.46Å
154L88.8Confident85.3Confident42 Ų4295 Ų9522%0.2253%0.531CS..Hα-helixtrans-65.1-46.2177.6-17269.3000110.7L100 F143 V150 L151 P152 S157 L158L100-L154 HydrophobicContact CD2-CD2 4.5Å; F143-L154 HydrophobicContact CE2-CD1 4.42Å; F143-L154 HydrophobicContact CZ-CD1 4.2Å; V150-L154 PolarHBondContact O-N 2.99Å; L151-L154 PolarHBondContact O-N 3.46Å; L151-L154 VanDerWaalsContact O-N 3.16Å; P152-L154 VanDerWaalsContact C-N 3.31Å; P152-L154 PolarHBondContact O-N 3.12Å; L154-S157 PolarHBondContact O-N 3.47Å; L154-S157 PolarHBondContact O-OG 3.05Å; L154-L158 WeakPolarHBondContact O-CG 3.25Å
155F88.5Confident84.7Confident102 Ų10292.4 Ų92.445%0.44752%0.524SS..Hα-helixtrans-75.4-31.4-179.4-72.5-66.1000113.7L100 L151 P152 S157 L158L100-F155 HydrophobicContact CD1-CZ 3.82Å; L151-F155 HydrophobicContact CB-CD2 4.29Å; L151-F155 HydrophobicContact CB-CE2 4.29Å; L151-F155 HydrophobicContact CD2-CE2 4.05Å; L151-F155 WeakPolarHBondContact O-CD2 3.39Å; L151-F155 PolarHBondContact O-N 2.85Å; P152-F155 PolarHBondContact O-N 3.21Å; F155-S157 PolarHBondContact O-N 2.87Å; F155-L158 HydrophobicContact CD1-CD1 3.87Å; F155-L158 HydrophobicContact CE1-CD1 4.27Å; F155-L158 WeakPolarHBondContact O-CB 3.45Å; F155-L158 PolarHBondContact O-N 3.48Å
156D86.6Confident83.9Confident136 Ų13696.9 Ų96.973%0.72754%0.544SS*.Hα-helixtrans-64.1-29.6174.9-69.3-19.3000111.5P152 L158P152-D156 WeakPolarHBondContact O-CB 3.29Å; P152-D156 PolarHBondContact O-N 2.94Å; D156-L158 VanDerWaalsContact C-N 3.29Å
157S78.3Confident83Confident85 Ų8594.1 Ų94.159%0.59454%0.54SS*.THydrogen-bonded Turntrans-77.7-14.6174.1740000113.7K153 L154 F155K153-S157 PolarHBondContact O-N 3.46Å; L154-S157 PolarHBondContact O-N 3.47Å; L154-S157 PolarHBondContact O-OG 3.05Å; F155-S157 PolarHBondContact O-N 2.87Å
158L71.3Confident82Confident92 Ų9297.4 Ų97.448%0.48255%0.554SS.*SBendtrans-93101.3178.5-68.1169.7000109L154 F155 D156 L160L154-L158 WeakPolarHBondContact O-CG 3.25Å; F155-L158 HydrophobicContact CD1-CD1 3.87Å; F155-L158 HydrophobicContact CE1-CD1 4.27Å; F155-L158 WeakPolarHBondContact O-CB 3.45Å; F155-L158 PolarHBondContact O-N 3.48Å; D156-L158 VanDerWaalsContact C-N 3.29Å; L158-L160 PolarHBondContact O-N 3.33Å
159T60.2Low80.9Confident122 Ų122100.5 Ų100.575%0.74855%0.552SS**  trans-67.3106167.9-36.20000107.6T161T159-T161 HydrophobicContact CG2-CG2 4.15Å; T159-T161 PolarHBondContact O-N 3.02Å
160L55.9Low79.6Confident168 Ų168101.3 Ų101.388%0.8856%0.558SS**  trans-73.382.4170.4-67.3170.9000107.8L158L158-L160 PolarHBondContact O-N 3.33Å
161T47.8Very low78.2Confident195 Ų195108.3 Ų108.3100%1.19660%0.595SS**  trans-75.30169.149.20000111.3T159T159-T161 HydrophobicContact CG2-CG2 4.15Å; T159-T161 PolarHBondContact O-N 3.02Å

Retrieved 161 of 161 residues in 93.8 ms (Link to these results)

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