A0A087XDK2_POEFO Loading...

cyclin-dependent kinase

AlphaFold DB , UniProt , Accession A0A087XDK2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 493 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
1M82.6Confident95Very high184 Ų184109.9 Ų109.991%0.90657%0.566SS**  0130.50-178.9177.5-78.400106.6F5 K6M1-F5 HydrophobicContact CG-CD1 4.01Å; M1-F5 HydrophobicContact SD-CD1 4.41Å; M1-K6 HydrophobicContact CG-CB 4.19Å; M1-K6 HydrophobicContact SD-CB 3.85Å; M1-K6 HydrophobicContact SD-CD 4.25Å; M1-K6 HydrophobicContact SD-CG 3.93Å
2D97Very high95.1Very high98 Ų98111.1 Ų111.152%0.52457%0.567SS.*  trans-60.4141.6177.3173.8-103.6000111.5D4 F5 K6D2-D4 PolarHBondContact OD1-N 3.22Å; D2-F5 HydrophobicContact CB-CB 3.87Å; D2-F5 WeakPolarHBondContact OD1-CB 3.35Å; D2-F5 PolarHBondContact OD1-N 3.03Å; D2-K6 WeakPolarHBondContact O-CB 3.47Å; D2-K6 PolarHBondContact O-N 2.82Å
3Y97Very high95.2Very high169 Ų169108.6 Ų108.666%0.66355%0.546SS*.Hα-helixtrans-71.6-43.6-173.1176.8-94.9000111.9K6 T7Y3-K6 PolarHBondContact O-N 2.91Å; Y3-T7 WeakPolarHBondContact O-CB 3.33Å; Y3-T7 PolarHBondContact O-N 3.3Å; Y3-T7 PolarHBondContact O-OG1 2.84Å
4D97.3Very high95.4Very high115 Ų115108.2 Ų108.262%0.61554%0.542SS*.Hα-helixtrans-67.9-42.5-179.2-66.5-21.3000110.2D2 K6 T7 K8D2-D4 PolarHBondContact OD1-N 3.22Å; D4-K6 PolarHBondContact O-N 3.08Å; D4-T7 PolarHBondContact O-N 2.98Å; D4-K8 VanDerWaalsContact O-CB 3.28Å; D4-K8 WeakPolarHBondContact O-CB 3.28Å; D4-K8 PolarHBondContact O-N 3.05Å
5F97.1Very high95.4Very high110 Ų110108.9 Ų108.948%0.48254%0.535SS..Hα-helixtrans-56-48.7171.8178.9-99.7000112.1M1 D2 L9M1-F5 HydrophobicContact CG-CD1 4.01Å; M1-F5 HydrophobicContact SD-CD1 4.41Å; D2-F5 HydrophobicContact CB-CB 3.87Å; D2-F5 WeakPolarHBondContact OD1-CB 3.35Å; D2-F5 PolarHBondContact OD1-N 3.03Å; F5-L9 HydrophobicContact CD1-CD1 4.11Å; F5-L9 HydrophobicContact CD2-CD1 4.43Å; F5-L9 HydrophobicContact CE1-CD1 3.46Å; F5-L9 VanDerWaalsContact CE1-CD1 3.46Å; F5-L9 HydrophobicContact CE2-CD1 3.82Å; F5-L9 HydrophobicContact CE2-CG 4.37Å; F5-L9 HydrophobicContact CZ-CD1 3.31Å; F5-L9 HydrophobicContact CZ-CG 4.3Å; F5-L9 WeakPolarHBondContact O-CB 3.41Å; F5-L9 WeakPolarHBondContact O-CG 3.33Å; F5-L9 PolarHBondContact O-N 3.16Å; F5-L9 VanDerWaalsContact O-N 3.08Å
6K95.6Very high95.5Very high131 Ų131102.3 Ų102.357%0.5750%0.503SS*.Hα-helixtrans-62.5-45.5179.5-176.7-178.3175.6-1730111.4M1 D2 Y3 D4 A10M1-K6 HydrophobicContact CG-CB 4.19Å; M1-K6 HydrophobicContact SD-CB 3.85Å; M1-K6 HydrophobicContact SD-CD 4.25Å; M1-K6 HydrophobicContact SD-CG 3.93Å; D2-K6 WeakPolarHBondContact O-CB 3.47Å; D2-K6 PolarHBondContact O-N 2.82Å; Y3-K6 PolarHBondContact O-N 2.91Å; D4-K6 PolarHBondContact O-N 3.08Å; K6-A10 WeakPolarHBondContact O-CB 3.45Å; K6-A10 PolarHBondContact O-N 3.34Å
7T96.1Very high95.6Very high63 Ų63100.3 Ų100.339%0.38749%0.492SS..Hα-helixtrans-69.3-43.8-175.6-55.40000111.2Y3 D4 A10 A11Y3-T7 WeakPolarHBondContact O-CB 3.33Å; Y3-T7 PolarHBondContact O-N 3.3Å; Y3-T7 PolarHBondContact O-OG1 2.84Å; D4-T7 PolarHBondContact O-N 2.98Å; T7-A10 PolarHBondContact O-N 3.46Å; T7-A11 PolarHBondContact O-N 2.88Å
8K97.1Very high95.6Very high130 Ų130100.1 Ų100.157%0.56549%0.493SS*.Hα-helixtrans-59.4-50.2175.1-177176.9178.7178.20111.7D4 A10 A11 E12D4-K8 VanDerWaalsContact O-CB 3.28Å; D4-K8 WeakPolarHBondContact O-CB 3.28Å; D4-K8 PolarHBondContact O-N 3.05Å; K8-A10 VanDerWaalsContact C-N 3.27Å; K8-A10 PolarHBondContact O-N 3.28Å; K8-A11 PolarHBondContact O-N 3.22Å; K8-A11 VanDerWaalsContact O-N 3.17Å; K8-E12 WeakPolarHBondContact CE-OE1 3.21Å; K8-E12 PolarHBondContact O-N 3.18Å
9L96.3Very high95.7Very high71 Ų7196.9 Ų96.937%0.37248%0.478SS..Hα-helixtrans-63.8-31.3177.5-76.3-175.1000113.1F5 R13F5-L9 HydrophobicContact CD1-CD1 4.11Å; F5-L9 HydrophobicContact CD2-CD1 4.43Å; F5-L9 HydrophobicContact CE1-CD1 3.46Å; F5-L9 VanDerWaalsContact CE1-CD1 3.46Å; F5-L9 HydrophobicContact CE2-CD1 3.82Å; F5-L9 HydrophobicContact CE2-CG 4.37Å; F5-L9 HydrophobicContact CZ-CD1 3.31Å; F5-L9 HydrophobicContact CZ-CG 4.3Å; F5-L9 WeakPolarHBondContact O-CB 3.41Å; F5-L9 WeakPolarHBondContact O-CG 3.33Å; F5-L9 PolarHBondContact O-N 3.16Å; F5-L9 VanDerWaalsContact O-N 3.08Å; L9-R13 WeakPolarHBondContact O-CB 2.96Å; L9-R13 PolarHBondContact O-N 3.05Å
10A93.6Very high95.8Very high51 Ų5192.3 Ų92.342%0.42146%0.456SS..Hα-helixtrans-70.6-33.2176.200000112.5K6 T7 K8K6-A10 WeakPolarHBondContact O-CB 3.45Å; K6-A10 PolarHBondContact O-N 3.34Å; T7-A10 PolarHBondContact O-N 3.46Å; K8-A10 VanDerWaalsContact C-N 3.27Å; K8-A10 PolarHBondContact O-N 3.28Å
11A95.3Very high95.8Very high87 Ų8792 Ų9272%0.71945%0.453SS*.Hα-helixtrans-76.2-36.4178.100000113T7 K8T7-A11 PolarHBondContact O-N 2.88Å; K8-A11 PolarHBondContact O-N 3.22Å; K8-A11 VanDerWaalsContact O-N 3.17Å
12E96.8Very high96.5Very high124 Ų12484.9 Ų84.958%0.57942%0.416SS*.Hα-helixtrans-87.8-11.1-178.8-67.6175.1-177.600113.5K8 E14K8-E12 WeakPolarHBondContact CE-OE1 3.21Å; K8-E12 PolarHBondContact O-N 3.18Å; E12-E14 PolarHBondContact O-N 3.33Å; E12-E14 VanDerWaalsContact O-N 3.15Å
13R96.5Very high96.3Very high79 Ų7987.3 Ų87.330%0.29842%0.424SS..  trans-68.9114.7-177.3178.3178.2-56.9-98.6-5.4111.2L9 R15 L86 H88L9-R13 WeakPolarHBondContact O-CB 2.96Å; L9-R13 PolarHBondContact O-N 3.05Å; R13-R15 PolarHBondContact O-N 3.41Å; R13-L86 PolarHBondContact NH1-O 3.17Å; R13-H88 VanDerWaalsContact CZ-CD2 3.42Å; R13-H88 VanDerWaalsContact CZ-NE2 3.26Å; R13-H88 PolarHBondContact NH1-CD2 3.09Å; R13-H88 PolarHBondContact NH1-NE2 3.27Å; R13-H88 PolarHBondContact NH2-CE1 2.85Å; R13-H88 VanDerWaalsContact NH2-CE1 3.28Å; R13-H88 PolarHBondContact NH2-NE2 2.93Å; R13-H88 VanDerWaalsContact NH2-NE2 3.16Å
14E97Very high96Very high103 Ų10381.5 Ų81.548%0.48142%0.416SS..  trans-65.5125.4166-67.8173.4121.400110.7E12 L19 K83 F85E12-E14 PolarHBondContact O-N 3.33Å; E12-E14 VanDerWaalsContact O-N 3.15Å; E14-L19 HydrophobicContact CB-CD1 3.84Å; E14-L19 HydrophobicContact CG-CD1 4.22Å; E14-K83 IonicContact OE1-NZ 2.76Å; E14-K83 PolarHBondContact OE1-NZ 2.98Å; E14-K83 WeakPolarHBondContact OE2-CE 3.23Å; E14-K83 IonicContact OE2-NZ 2.62Å; E14-K83 PolarHBondContact OE2-NZ 3.08Å; E14-F85 HydrophobicContact CB-CE1 4.35Å
15R96.5Very high95.9Very high119 Ų11977.5 Ų77.545%0.44940%0.397SS..  trans-106147.6177.8-44.8-174.4-177.3171.12110.4R13 E17 D18 L19R13-R15 PolarHBondContact O-N 3.41Å; R15-E17 VanDerWaalsContact C-N 3.34Å; R15-E17 VanDerWaalsContact CB-CD 3.5Å; R15-E17 HydrophobicContact CB-CG 4.32Å; R15-E17 WeakPolarHBondContact CB-OE1 3.37Å; R15-E17 WeakPolarHBondContact CB-OE2 3.03Å; R15-E17 WeakPolarHBondContact CD-OE1 3.4Å; R15-D18 HydrophobicContact CB-CB 4.28Å; R15-D18 WeakPolarHBondContact CB-OD2 3.09Å; R15-D18 WeakPolarHBondContact CD-OD2 3.42Å; R15-D18 WeakPolarHBondContact CG-OD2 3.48Å; R15-D18 PolarHBondContact O-N 3.37Å; R15-L19 WeakPolarHBondContact O-CG 3.41Å; R15-L19 PolarHBondContact O-N 3Å
16V97.1Very high95.8Very high3 Ų373.3 Ų73.32%0.01838%0.378CS..Hα-helixtrans-67.8-40.5-174.762.10000110.6D18 L19 F20 Y22 L51 F85 W94V16-D18 VanDerWaalsContact C-N 3.31Å; V16-D18 PolarHBondContact O-N 3.32Å; V16-L19 PolarHBondContact O-N 3.12Å; V16-F20 HydrophobicContact CG2-CD2 4.48Å; V16-F20 PolarHBondContact O-N 3.26Å; V16-Y22 HydrophobicContact CG1-CE1 4.5Å; V16-Y22 HydrophobicContact CG2-CE1 4.08Å; V16-L51 HydrophobicContact CG2-CD1 3.54Å; V16-L51 HydrophobicContact CG2-CD2 3.7Å; V16-L51 HydrophobicContact CG2-CG 4.28Å; V16-F85 HydrophobicContact CB-CB 4.28Å; V16-F85 HydrophobicContact CB-CD2 4.14Å; V16-F85 HydrophobicContact CB-CG 4.11Å; V16-F85 HydrophobicContact CG2-CD2 4.19Å; V16-W94 HydrophobicContact CG1-CD2 4.12Å; V16-W94 HydrophobicContact CG1-CG 4.14Å; V16-W94 HydrophobicContact CG1-CZ2 4.43Å; V16-W94 HydrophobicContact CG2-CD2 4.38Å; V16-W94 HydrophobicContact CG2-CE3 4.44Å; V16-W94 HydrophobicContact CG2-CG 4.47Å
17E96.1Very high95.7Very high68 Ų6868 Ų6832%0.31836%0.357SS..Hα-helixtrans-66.7-27.9178.465.2-84.8-160.400113.5R15 K41R15-E17 VanDerWaalsContact C-N 3.34Å; R15-E17 VanDerWaalsContact CB-CD 3.5Å; R15-E17 HydrophobicContact CB-CG 4.32Å; R15-E17 WeakPolarHBondContact CB-OE1 3.37Å; R15-E17 WeakPolarHBondContact CB-OE2 3.03Å; R15-E17 WeakPolarHBondContact CD-OE1 3.4Å; E17-K41 PolarHBondContact O-NZ 3.23Å
18D96.2Very high95.3Very high96 Ų9666 Ų6651%0.51335%0.349SS..Hα-helixtrans-79.8-33.2177.2-64.6-25.1000111.4R15 V16R15-D18 HydrophobicContact CB-CB 4.28Å; R15-D18 WeakPolarHBondContact CB-OD2 3.09Å; R15-D18 WeakPolarHBondContact CD-OD2 3.42Å; R15-D18 WeakPolarHBondContact CG-OD2 3.48Å; R15-D18 PolarHBondContact O-N 3.37Å; V16-D18 VanDerWaalsContact C-N 3.31Å; V16-D18 PolarHBondContact O-N 3.32Å
19L97.1Very high94.7Very high40 Ų4063.9 Ų63.921%0.20934%0.338CS..Hα-helixtrans-93.3-29.6-173.2-68.8-178.6000114E14 R15 V16 R40 K41 F85E14-L19 HydrophobicContact CB-CD1 3.84Å; E14-L19 HydrophobicContact CG-CD1 4.22Å; R15-L19 WeakPolarHBondContact O-CG 3.41Å; R15-L19 PolarHBondContact O-N 3Å; V16-L19 PolarHBondContact O-N 3.12Å; L19-R40 WeakPolarHBondContact O-CA 3.42Å; L19-K41 PolarHBondContact O-N 3.08Å; L19-F85 HydrophobicContact CD1-CE1 3.8Å; L19-F85 HydrophobicContact CD1-CZ 4.16Å
20F97.9Very high93.6Very high5 Ų562 Ų622%0.02234%0.335CS..EExtended strand (participates in β ladder)trans-127.8140.6-171.4-67.1-85.2000112.6V16 Y22 A38 K39 R40 K41 Y49 L51 F85 L96V16-F20 HydrophobicContact CG2-CD2 4.48Å; V16-F20 PolarHBondContact O-N 3.26Å; F20-Y22 HydrophobicContact CB-CD1 4.16Å; F20-Y22 WeakPolarHBondContact O-CD1 3.36Å; F20-A38 HydrophobicContact CB-CB 4.27Å; F20-A38 HydrophobicContact CD1-CB 4.16Å; F20-K39 CarbonylContact C-O 3.53Å; F20-K39 VanDerWaalsContact CA-O 3.31Å; F20-K39 WeakPolarHBondContact CA-O 3.49Å; F20-R40 HydrophobicContact CD1-CG 4.24Å; F20-R40 HydrophobicContact CE1-CG 3.66Å; F20-R40 HydrophobicContact CZ-CG 4.27Å; F20-K41 VanDerWaalsContact O-CE 3.29Å; F20-K41 WeakPolarHBondContact O-CE 3.34Å; F20-Y49 HydrophobicContact CD1-CD2 4.46Å; F20-Y49 AromaticContact CE1-CD2 3.79Å; F20-Y49 HydrophobicContact CE1-CD2 3.79Å; F20-Y49 HydrophobicContact CE1-CE2 4.25Å; F20-Y49 AromaticContact CE1-CG 3.97Å; F20-Y49 HydrophobicContact CE1-CG 3.97Å; F20-L51 HydrophobicContact CB-CD1 3.79Å; F20-L51 HydrophobicContact CD2-CD1 4.44Å; F20-L51 HydrophobicContact CG-CD1 4.08Å; F20-F85 HydrophobicContact CD2-CZ 4.43Å; F20-F85 HydrophobicContact CE2-CE2 4.07Å; F20-F85 AromaticContact CE2-CZ 3.78Å; F20-F85 HydrophobicContact CE2-CZ 3.78Å; F20-L96 HydrophobicContact CD1-CD1 4.46Å; F20-L96 HydrophobicContact CE1-CD1 3.83Å; F20-L96 HydrophobicContact CE1-CD2 4.39Å; F20-L96 HydrophobicContact CE2-CD1 4.11Å; F20-L96 HydrophobicContact CE2-CD2 4.08Å; F20-L96 HydrophobicContact CZ-CD1 3.65Å; F20-L96 HydrophobicContact CZ-CD2 3.55Å; F20-L96 HydrophobicContact CZ-CG 4.27Å
21E96.8Very high92.4Very high85 Ų8564.1 Ų64.140%0.39734%0.343SS..EExtended strand (participates in β ladder)trans-92.9118.4167.1-172.554.6-109.700108.5A38 K39 K41E21-A38 VanDerWaalsContact O-CA 3.27Å; E21-A38 WeakPolarHBondContact O-CA 3.26Å; E21-K39 PolarHBondContact N-O 3.37Å; E21-K39 PolarHBondContact O-N 2.97Å; E21-K41 HydrophobicContact CB-CG 4.2Å; E21-K41 WeakPolarHBondContact OE2-CE 3.47Å; E21-K41 IonicContact OE2-NZ 3.87Å
22Y96.1Very high91.2Very high36 Ų3662.7 Ų62.714%0.14132%0.319CS..  trans-148.41.1-175.764.9-95.7000113.9V16 F20 C25 Y36 L51 W94V16-Y22 HydrophobicContact CG1-CE1 4.5Å; V16-Y22 HydrophobicContact CG2-CE1 4.08Å; F20-Y22 HydrophobicContact CB-CD1 4.16Å; F20-Y22 WeakPolarHBondContact O-CD1 3.36Å; Y22-C25 WeakPolarHBondContact O-CB 3.37Å; Y22-C25 PolarHBondContact O-N 3.15Å; Y22-C25 VanDerWaalsContact O-N 3.15Å; Y22-Y36 AromaticContact CD2-CD1 4Å; Y22-Y36 HydrophobicContact CD2-CD1 4Å; Y22-Y36 HydrophobicContact CD2-CE1 4.38Å; Y22-Y36 HydrophobicContact CD2-CG 4.15Å; Y22-L51 HydrophobicContact CD1-CD1 3.66Å; Y22-L51 HydrophobicContact CE1-CD1 4.27Å; Y22-L51 HydrophobicContact CG-CD1 4.05Å; Y22-W94 AromaticContact CE2-CH2 3.85Å; Y22-W94 HydrophobicContact CE2-CH2 3.85Å; Y22-W94 HydrophobicContact CE2-CZ3 4.33Å
23E92.9Very high90.7Very high148 Ų14857 Ų5769%0.69229%0.294SS*.THydrogen-bonded Turntrans-64.7136.8179.5-66-175.4175.700110.3C25E23-C25 PolarHBondContact O-N 2.96Å; E23-C25 PolarHBondContact O-SG 3.42Å
24G91.4Very high90.4Very high47 Ų4754.7 Ų54.749%0.48529%0.287SS..THydrogen-bonded Turntrans65.43-174.900000115.5
25C95.1Very high90.4Very high32 Ų3252 Ų5222%0.21628%0.277CS..  trans-10527.2-173.6-61.40000113.2Y22 E23 V27 Y36 K37 F358Y22-C25 WeakPolarHBondContact O-CB 3.37Å; Y22-C25 PolarHBondContact O-N 3.15Å; Y22-C25 VanDerWaalsContact O-N 3.15Å; E23-C25 PolarHBondContact O-N 2.96Å; E23-C25 PolarHBondContact O-SG 3.42Å; C25-V27 PolarHBondContact O-N 2.79Å; C25-Y36 WeakPolarHBondContact O-CA 3.24Å; C25-K37 HydrophobicContact CB-CB 4.44Å; C25-K37 WeakPolarHBondContact CB-O 3.38Å; C25-K37 PolarHBondContact O-N 3.36Å; C25-F358 HydrophobicContact CB-CD1 4.29Å; C25-F358 HydrophobicContact CB-CE1 3.9Å; C25-F358 HydrophobicContact CB-CZ 4.29Å
26K95.3Very high90.4Very high22 Ų2247.1 Ų47.110%0.09626%0.259CS..EExtended strand (participates in β ladder)trans-67.1127.9178.2-169.9178.4-67.3160.50109.9Y36 F358 L359 E361K26-Y36 HydrophobicContact CB-CD1 3.88Å; K26-Y36 HydrophobicContact CB-CE1 3.83Å; K26-Y36 VanDerWaalsContact CE-OH 3.23Å; K26-Y36 WeakPolarHBondContact CE-OH 3.47Å; K26-Y36 HydrophobicContact CG-CD1 4.38Å; K26-Y36 HydrophobicContact CG-CE1 4.13Å; K26-F358 CarbonylContact O-C 2.98Å; K26-F358 VanDerWaalsContact O-CA 3.27Å; K26-F358 WeakPolarHBondContact O-CA 3.22Å; K26-L359 HydrophobicContact CB-CB 4.4Å; K26-L359 HydrophobicContact CD-CB 4.43Å; K26-L359 HydrophobicContact CG-CB 4.35Å; K26-L359 PolarHBondContact O-N 3.21Å; K26-E361 VanDerWaalsContact CE-OE1 3.27Å; K26-E361 WeakPolarHBondContact CE-OE1 3.29Å; K26-E361 IonicContact NZ-OE1 2.88Å; K26-E361 PolarHBondContact NZ-OE1 3.26Å
27V93Very high90.4Very high18 Ų1848 Ų4811%0.10926%0.263CS..EExtended strand (participates in β ladder)trans-118.7-10.4-178.6-66.80000113.3C25 V35 K37 Y99 R356 F358C25-V27 PolarHBondContact O-N 2.79Å; V27-V35 HydrophobicContact CG2-CB 4.33Å; V27-V35 HydrophobicContact CG2-CG1 3.96Å; V27-V35 WeakPolarHBondContact CG2-O 3.25Å; V27-V35 PolarHBondContact N-O 3.38Å; V27-K37 HydrophobicContact CG1-CB 3.94Å; V27-Y99 HydrophobicContact CG2-CE2 4.28Å; V27-R356 HydrophobicContact CB-CB 4.36Å; V27-R356 HydrophobicContact CG1-CB 4.23Å; V27-F358 HydrophobicContact CG1-CD1 3.71Å; V27-F358 HydrophobicContact CG1-CE1 3.83Å
28G87.6Confident90.5Very high22 Ų2244.9 Ų44.923%0.22725%0.248CC..EExtended strand (participates in β ladder)trans-155.7144.8-179.900000112.8V35G28-V35 PolarHBondContact N-O 3.25Å; G28-V35 PolarHBondContact O-N 2.8Å
29R83.7Confident90.5Very high86 Ų8645.8 Ų45.833%0.32525%0.247SC..EExtended strand (participates in β ladder)trans-135.3140.1171.1-177.6179.4-178178.64.8108.1L359 E365 Q372R29-L359 HydrophobicContact CB-CD1 4.48Å; R29-E365 IonicContact NH2-OE1 2.72Å; R29-E365 PolarHBondContact NH2-OE1 2.58Å; R29-E365 VanDerWaalsContact NH2-OE1 3.09Å; R29-Q372 PolarHBondContact O-NE2 3Å
30G73.4Confident90.4Very high31 Ų3147.4 Ų47.432%0.3225%0.25SS..EExtended strand (participates in β ladder)trans-171.3-173.5172.800000111.5Y32 G33G30-Y32 PolarHBondContact O-N 3.32Å; G30-G33 PolarHBondContact N-O 2.71Å; G30-G33 VanDerWaalsContact N-O 3.08Å; G30-G33 PolarHBondContact O-N 2.88Å
31T68.1Low90.4Very high96 Ų9652 Ų5259%0.58927%0.271SS*.THydrogen-bonded Turntrans-55.5-21.4-179.3-40.70000113.7
32Y70.6Confident90.2Very high57 Ų5750.9 Ų50.922%0.22427%0.267CS..THydrogen-bonded Turntrans-96.2-0.9-177.1-41.1-54.2000113.8G30 E55 D173 F176G30-Y32 PolarHBondContact O-N 3.32Å; Y32-E55 PolarHBondContact O-N 3.5Å; Y32-D173 WeakPolarHBondContact CD2-OD2 3.47Å; Y32-D173 WeakPolarHBondContact CE2-OD2 3.42Å; Y32-F176 HydrophobicContact CD1-CE2 4.26Å; Y32-F176 HydrophobicContact CE1-CD2 4.43Å; Y32-F176 AromaticContact CE1-CE2 3.22Å; Y32-F176 HydrophobicContact CE1-CE2 3.22Å; Y32-F176 AromaticContact CE1-CZ 3.49Å; Y32-F176 HydrophobicContact CE1-CZ 3.49Å; Y32-F176 VanDerWaalsContact CE1-CZ 3.49Å; Y32-F176 HydrophobicContact CE2-CE2 4.23Å; Y32-F176 AromaticContact CZ-CE2 3.21Å; Y32-F176 AromaticContact CZ-CZ 3.67Å; Y32-F176 WeakPolarHBondContact OH-CE2 3.13Å; Y32-F176 WeakPolarHBondContact OH-CZ 3.27Å
33G85.8Confident89.8Confident5 Ų552.1 Ų52.15%0.05229%0.291CS..EExtended strand (participates in β ladder)trans118.5-145.4173.900000113.2G30 Q53G30-G33 PolarHBondContact N-O 2.71Å; G30-G33 VanDerWaalsContact N-O 3.08Å; G30-G33 PolarHBondContact O-N 2.88Å; G33-Q53 WeakPolarHBondContact CA-O 3.23Å
34H91.6Very high89.7Confident30 Ų3052.6 Ų52.614%0.13929%0.29CS..EExtended strand (participates in β ladder)trans-117.8137.1-172.5-58.195.4000110.6Y36 K52 Q53 E55H34-Y36 HydrophobicContact CB-CD2 4.33Å; H34-Y36 HydrophobicContact CB-CE2 3.49Å; H34-Y36 VanDerWaalsContact CB-CE2 3.49Å; H34-K52 CarbonylContact O-C 3.54Å; H34-K52 WeakPolarHBondContact O-CA 2.85Å; H34-Q53 HydrophobicContact CB-CB 4.4Å; H34-Q53 PolarHBondContact N-O 3.05Å; H34-Q53 PolarHBondContact O-N 3.01Å; H34-E55 IonicContact CE1-OE2 2.87Å
35V95.4Very high89.7Confident46 Ų4652.3 Ų52.328%0.27928%0.278SS..EExtended strand (participates in β ladder)trans-115.9128.5175.4-176.10000109.3V27 G28 A50 L51 K52V27-V35 HydrophobicContact CG2-CB 4.33Å; V27-V35 HydrophobicContact CG2-CG1 3.96Å; V27-V35 WeakPolarHBondContact CG2-O 3.25Å; V27-V35 PolarHBondContact N-O 3.38Å; G28-V35 PolarHBondContact N-O 3.25Å; G28-V35 PolarHBondContact O-N 2.8Å; V35-A50 HydrophobicContact CG1-CB 4.3Å; V35-L51 CarbonylContact C-O 3.56Å; V35-L51 WeakPolarHBondContact CA-O 3.32Å; V35-K52 HydrophobicContact CG2-CB 4.38Å; V35-K52 HydrophobicContact CG2-CG 4.19Å
36Y97.1Very high89.4Confident17 Ų1760 Ų607%0.06731%0.311CS..EExtended strand (participates in β ladder)trans-117.1140.6179.6-58.2-100.6000110.1Y22 C25 K26 H34 A50 L51 Q53 W94Y22-Y36 AromaticContact CD2-CD1 4Å; Y22-Y36 HydrophobicContact CD2-CD1 4Å; Y22-Y36 HydrophobicContact CD2-CE1 4.38Å; Y22-Y36 HydrophobicContact CD2-CG 4.15Å; C25-Y36 WeakPolarHBondContact O-CA 3.24Å; K26-Y36 HydrophobicContact CB-CD1 3.88Å; K26-Y36 HydrophobicContact CB-CE1 3.83Å; K26-Y36 VanDerWaalsContact CE-OH 3.23Å; K26-Y36 WeakPolarHBondContact CE-OH 3.47Å; K26-Y36 HydrophobicContact CG-CD1 4.38Å; K26-Y36 HydrophobicContact CG-CE1 4.13Å; H34-Y36 HydrophobicContact CB-CD2 4.33Å; H34-Y36 HydrophobicContact CB-CE2 3.49Å; H34-Y36 VanDerWaalsContact CB-CE2 3.49Å; Y36-A50 WeakPolarHBondContact O-CA 3.36Å; Y36-L51 PolarHBondContact N-O 3.23Å; Y36-L51 PolarHBondContact O-N 3.33Å; Y36-Q53 HydrophobicContact CE2-CB 4.43Å; Y36-W94 HydrophobicContact CD2-CH2 4.39Å; Y36-W94 AromaticContact CD2-CZ3 3.82Å; Y36-W94 HydrophobicContact CD2-CZ3 3.82Å; Y36-W94 HydrophobicContact CE2-CH2 4Å; Y36-W94 AromaticContact CE2-CZ3 3.84Å; Y36-W94 HydrophobicContact CE2-CZ3 3.84Å
37K97.4Very high89.3Confident22 Ų2264.4 Ų64.410%0.09633%0.33CS..EExtended strand (participates in β ladder)trans-78.3130.2163-173.5172.9-173.4166.20107.7C25 V27 E48 Y99 E101 F358C25-K37 HydrophobicContact CB-CB 4.44Å; C25-K37 WeakPolarHBondContact CB-O 3.38Å; C25-K37 PolarHBondContact O-N 3.36Å; V27-K37 HydrophobicContact CG1-CB 3.94Å; K37-E48 WeakPolarHBondContact CE-OE1 3.49Å; K37-E48 WeakPolarHBondContact CE-OE2 3.37Å; K37-E48 IonicContact NZ-OE1 3.65Å; K37-E48 PolarHBondContact NZ-OE1 2.95Å; K37-E48 IonicContact NZ-OE2 3.34Å; K37-E48 PolarHBondContact NZ-OE2 3.32Å; K37-Y99 HydrophobicContact CB-CD2 4.3Å; K37-Y99 HydrophobicContact CB-CE2 3.85Å; K37-Y99 HydrophobicContact CD-CD1 4.44Å; K37-Y99 HydrophobicContact CD-CE1 3.89Å; K37-Y99 HydrophobicContact CD-CE2 4.06Å; K37-Y99 HydrophobicContact CG-CD2 4.04Å; K37-Y99 HydrophobicContact CG-CE1 4.32Å; K37-Y99 HydrophobicContact CG-CE2 3.81Å; K37-Y99 HydrophobicContact CG-CG 4.4Å; K37-E101 IonicContact NZ-OE2 2.86Å; K37-E101 PolarHBondContact NZ-OE2 2.86Å; K37-F358 HydrophobicContact CB-CE1 4.01Å; K37-F358 HydrophobicContact CD-CE1 4.11Å; K37-F358 HydrophobicContact CD-CZ 4.27Å
38A97.4Very high89.4Confident1 Ų166.4 Ų66.41%0.00834%0.338CS..EExtended strand (participates in β ladder)trans-133.9151.4-171.800000112.1F20 E21 Y49 L51F20-A38 HydrophobicContact CB-CB 4.27Å; F20-A38 HydrophobicContact CD1-CB 4.16Å; E21-A38 VanDerWaalsContact O-CA 3.27Å; E21-A38 WeakPolarHBondContact O-CA 3.26Å; A38-Y49 PolarHBondContact N-O 3.26Å; A38-Y49 PolarHBondContact O-N 2.92Å; A38-L51 HydrophobicContact CB-CD1 3.67Å; A38-L51 HydrophobicContact CB-CG 3.96Å
39K96.6Very high89.9Confident115 Ų11566.2 Ų66.250%0.533%0.331SS..EExtended strand (participates in β ladder)trans-126.6149.8170.4-70-173.7176.8-174.90110.1F20 E21F20-K39 CarbonylContact C-O 3.53Å; F20-K39 VanDerWaalsContact CA-O 3.31Å; F20-K39 WeakPolarHBondContact CA-O 3.49Å; E21-K39 PolarHBondContact N-O 3.37Å; E21-K39 PolarHBondContact O-N 2.97Å
40R96.3Very high90.6Very high74 Ų7462.8 Ų62.828%0.27932%0.321SS..EExtended strand (participates in β ladder)trans-69.6134.8176.7-65.7178.968.1114.99.1110.7L19 F20 D42 D45 Y49L19-R40 WeakPolarHBondContact O-CA 3.42Å; F20-R40 HydrophobicContact CD1-CG 4.24Å; F20-R40 HydrophobicContact CE1-CG 3.66Å; F20-R40 HydrophobicContact CZ-CG 4.27Å; R40-D42 WeakPolarHBondContact CB-OD1 3.35Å; R40-D42 IonicContact CZ-OD1 3.78Å; R40-D42 IonicContact CZ-OD2 2.69Å; R40-D42 IonicContact NE-OD1 3.01Å; R40-D42 PolarHBondContact NE-OD1 2.92Å; R40-D42 IonicContact NE-OD2 3.59Å; R40-D42 IonicContact NH2-OD1 2.87Å; R40-D42 PolarHBondContact NH2-OD1 2.62Å; R40-D42 IonicContact NH2-OD2 2.78Å; R40-D42 PolarHBondContact NH2-OD2 2.76Å; R40-D45 VanDerWaalsContact CD-OD2 3.23Å; R40-D45 WeakPolarHBondContact CD-OD2 3.31Å; R40-Y49 HydrophobicContact CG-CD2 4.28Å; R40-Y49 HydrophobicContact CG-CE2 3.72Å
41K96.1Very high91.7Very high102 Ų10261.3 Ų61.344%0.44331%0.306SS..THydrogen-bonded Turntrans-73.7-27.4175.1-73-178.3171176.20113E17 L19 F20 E21 G43E17-K41 PolarHBondContact O-NZ 3.23Å; L19-K41 PolarHBondContact O-N 3.08Å; F20-K41 VanDerWaalsContact O-CE 3.29Å; F20-K41 WeakPolarHBondContact O-CE 3.34Å; E21-K41 HydrophobicContact CB-CG 4.2Å; E21-K41 WeakPolarHBondContact OE2-CE 3.47Å; E21-K41 IonicContact OE2-NZ 3.87Å; K41-G43 PolarHBondContact O-N 3.09Å
42D93.4Very high93Very high62 Ų6257.6 Ų57.633%0.33228%0.281SS..THydrogen-bonded Turntrans-78.9-2.8-17869.50000114.4R40 K44R40-D42 WeakPolarHBondContact CB-OD1 3.35Å; R40-D42 IonicContact CZ-OD1 3.78Å; R40-D42 IonicContact CZ-OD2 2.69Å; R40-D42 IonicContact NE-OD1 3.01Å; R40-D42 PolarHBondContact NE-OD1 2.92Å; R40-D42 IonicContact NE-OD2 3.59Å; R40-D42 IonicContact NH2-OD1 2.87Å; R40-D42 PolarHBondContact NH2-OD1 2.62Å; R40-D42 IonicContact NH2-OD2 2.78Å; R40-D42 PolarHBondContact NH2-OD2 2.76Å; D42-K44 HydrophobicContact CB-CG 4.4Å; D42-K44 PolarHBondContact O-N 2.86Å; D42-K44 VanDerWaalsContact O-N 3.08Å; D42-K44 PolarHBondContact OD1-N 3.31Å; D42-K44 WeakPolarHBondContact OD2-CD 2.98Å; D42-K44 WeakPolarHBondContact OD2-CE 3.45Å; D42-K44 IonicContact OD2-NZ 3.61Å; D42-K44 PolarHBondContact OD2-NZ 2.92Å
43G88.2Confident94.2Very high61 Ų6156 Ų5663%0.62928%0.276SS*.  trans62.814.2176.500000115K41 D45K41-G43 PolarHBondContact O-N 3.09Å; G43-D45 PolarHBondContact O-N 3.43Å
44K89.7Confident94.4Very high158 Ų15856.4 Ų56.469%0.68728%0.277SS*.SBendtrans-66.5-24.4-178.3-73.7-175.6-172.7133.60113.5D42D42-K44 HydrophobicContact CB-CG 4.4Å; D42-K44 PolarHBondContact O-N 2.86Å; D42-K44 VanDerWaalsContact O-N 3.08Å; D42-K44 PolarHBondContact OD1-N 3.31Å; D42-K44 WeakPolarHBondContact OD2-CD 2.98Å; D42-K44 WeakPolarHBondContact OD2-CE 3.45Å; D42-K44 IonicContact OD2-NZ 3.61Å; D42-K44 PolarHBondContact OD2-NZ 2.92Å
45D91.4Very high94.1Very high42 Ų4259.4 Ų59.423%0.22529%0.291CS..  trans-148.1159.6170.564.557.5000110.4R40 G43 K47 Y49R40-D45 VanDerWaalsContact CD-OD2 3.23Å; R40-D45 WeakPolarHBondContact CD-OD2 3.31Å; G43-D45 PolarHBondContact O-N 3.43Å; D45-K47 VanDerWaalsContact C-N 3.3Å; D45-K47 HydrophobicContact CB-CG 4.25Å; D45-K47 WeakPolarHBondContact OD1-CB 3.5Å; D45-K47 PolarHBondContact OD1-N 3.39Å; D45-Y49 WeakPolarHBondContact OD1-CE2 3.16Å; D45-Y49 PolarHBondContact OD1-OH 2.76Å; D45-Y49 PolarHBondContact OD2-OH 3.22Å
46E88.9Confident93.7Very high194 Ų19458.8 Ų58.891%0.90729%0.294SS*.  trans-94.114.7174.4-60.8-170.5158.400112.2
47K93.1Very high93.3Very high114 Ų11462.5 Ų62.550%0.49632%0.318SS..  trans-72.5146.8-175.9-64.1179.3-179.71790110.2D45 Y49D45-K47 VanDerWaalsContact C-N 3.3Å; D45-K47 HydrophobicContact CB-CG 4.25Å; D45-K47 WeakPolarHBondContact OD1-CB 3.5Å; D45-K47 PolarHBondContact OD1-N 3.39Å; K47-Y49 HydrophobicContact CB-CE2 3.85Å; K47-Y49 WeakPolarHBondContact O-CD2 3.42Å
48E95.9Very high92.8Very high60 Ų6062.2 Ų62.228%0.2832%0.322SS..EExtended strand (participates in β ladder)trans-91.8136.3170.8-59.3-179.4144.500108.6K37 Y99K37-E48 WeakPolarHBondContact CE-OE1 3.49Å; K37-E48 WeakPolarHBondContact CE-OE2 3.37Å; K37-E48 IonicContact NZ-OE1 3.65Å; K37-E48 PolarHBondContact NZ-OE1 2.95Å; K37-E48 IonicContact NZ-OE2 3.34Å; K37-E48 PolarHBondContact NZ-OE2 3.32Å; E48-Y99 VanDerWaalsContact C-CB 3.43Å; E48-Y99 HydrophobicContact CB-CD1 4.13Å; E48-Y99 HydrophobicContact CB-CG 4.21Å; E48-Y99 WeakPolarHBondContact O-CB 3.44Å; E48-Y99 PolarHBondContact O-N 3.47Å; E48-Y99 VanDerWaalsContact O-N 3.13Å
49Y97.7Very high92.3Very high18 Ų1867.3 Ų67.37%0.07135%0.348CS..EExtended strand (participates in β ladder)trans-117.7155.6-179.8-65.9-88.1000110.7F20 A38 R40 D45 K47 L96 F97F20-Y49 HydrophobicContact CD1-CD2 4.46Å; F20-Y49 AromaticContact CE1-CD2 3.79Å; F20-Y49 HydrophobicContact CE1-CD2 3.79Å; F20-Y49 HydrophobicContact CE1-CE2 4.25Å; F20-Y49 AromaticContact CE1-CG 3.97Å; F20-Y49 HydrophobicContact CE1-CG 3.97Å; A38-Y49 PolarHBondContact N-O 3.26Å; A38-Y49 PolarHBondContact O-N 2.92Å; R40-Y49 HydrophobicContact CG-CD2 4.28Å; R40-Y49 HydrophobicContact CG-CE2 3.72Å; D45-Y49 WeakPolarHBondContact OD1-CE2 3.16Å; D45-Y49 PolarHBondContact OD1-OH 2.76Å; D45-Y49 PolarHBondContact OD2-OH 3.22Å; K47-Y49 HydrophobicContact CB-CE2 3.85Å; K47-Y49 WeakPolarHBondContact O-CD2 3.42Å; Y49-L96 HydrophobicContact CD1-CD1 3.93Å; Y49-L96 HydrophobicContact CD1-CD2 4.34Å; Y49-L96 HydrophobicContact CD1-CG 4.14Å; Y49-L96 HydrophobicContact CG-CD1 4Å; Y49-F97 CarbonylContact C-O 3.57Å; Y49-F97 WeakPolarHBondContact CA-O 3.39Å
50A97.9Very high91.7Very high14 Ų1464.2 Ų64.212%0.11634%0.341CS..EExtended strand (participates in β ladder)trans-103.9124.2166.500000109.3V35 Y36 F97 Y99V35-A50 HydrophobicContact CG1-CB 4.3Å; Y36-A50 WeakPolarHBondContact O-CA 3.36Å; A50-F97 HydrophobicContact CB-CB 4.3Å; A50-F97 PolarHBondContact N-O 3.26Å; A50-F97 PolarHBondContact O-N 3.19Å; A50-Y99 HydrophobicContact CB-CD2 4.12Å
51L97.5Very high90.8Very high0 Ų067.4 Ų67.40%036%0.36CS..EExtended strand (participates in β ladder)trans-104113.4170.6-82.1173.5000109.1V16 F20 Y22 V35 Y36 A38 F85 W94 L95 L96V16-L51 HydrophobicContact CG2-CD1 3.54Å; V16-L51 HydrophobicContact CG2-CD2 3.7Å; V16-L51 HydrophobicContact CG2-CG 4.28Å; F20-L51 HydrophobicContact CB-CD1 3.79Å; F20-L51 HydrophobicContact CD2-CD1 4.44Å; F20-L51 HydrophobicContact CG-CD1 4.08Å; Y22-L51 HydrophobicContact CD1-CD1 3.66Å; Y22-L51 HydrophobicContact CE1-CD1 4.27Å; Y22-L51 HydrophobicContact CG-CD1 4.05Å; V35-L51 CarbonylContact C-O 3.56Å; V35-L51 WeakPolarHBondContact CA-O 3.32Å; Y36-L51 PolarHBondContact N-O 3.23Å; Y36-L51 PolarHBondContact O-N 3.33Å; A38-L51 HydrophobicContact CB-CD1 3.67Å; A38-L51 HydrophobicContact CB-CG 3.96Å; L51-F85 HydrophobicContact CD2-CE2 4.34Å; L51-W94 HydrophobicContact CB-CE3 4.23Å; L51-W94 HydrophobicContact CB-CZ3 4.41Å; L51-L95 WeakPolarHBondContact CA-O 3.34Å; L51-L96 HydrophobicContact CD2-CB 4.29Å; L51-L96 HydrophobicContact CD2-CD1 3.68Å; L51-L96 HydrophobicContact CG-CD1 4.08Å
52K95.5Very high90Very high18 Ų1864.6 Ų64.68%0.07835%0.353CS..EExtended strand (participates in β ladder)trans-97110.4172.9-174.4-174.1-172.6-1710109.2H34 V35 I54 E66 W94 L95 F97 D173H34-K52 CarbonylContact O-C 3.54Å; H34-K52 WeakPolarHBondContact O-CA 2.85Å; V35-K52 HydrophobicContact CG2-CB 4.38Å; V35-K52 HydrophobicContact CG2-CG 4.19Å; K52-I54 HydrophobicContact CD-CD1 4.27Å; K52-E66 IonicContact NZ-OE1 3.63Å; K52-E66 PolarHBondContact NZ-OE1 3.08Å; K52-E66 IonicContact NZ-OE2 2.68Å; K52-E66 PolarHBondContact NZ-OE2 3.43Å; K52-W94 CarbonylContact O-C 3.5Å; K52-W94 VanDerWaalsContact O-CA 3.31Å; K52-W94 WeakPolarHBondContact O-CA 3.38Å; K52-L95 HydrophobicContact CB-CB 4.32Å; K52-L95 HydrophobicContact CD-CD1 4.49Å; K52-L95 PolarHBondContact N-O 2.85Å; K52-L95 PolarHBondContact O-N 3.4Å; K52-F97 HydrophobicContact CB-CE2 4.02Å; K52-D173 IonicContact NZ-OD1 3.52Å
53Q94.7Very high89.6Confident24 Ų2461.7 Ų61.711%0.11234%0.338CS..EExtended strand (participates in β ladder)trans-80.7118.8164.5-166.2-173.26000108.4G33 H34 Y36 K92 W94G33-Q53 WeakPolarHBondContact CA-O 3.23Å; H34-Q53 HydrophobicContact CB-CB 4.4Å; H34-Q53 PolarHBondContact N-O 3.05Å; H34-Q53 PolarHBondContact O-N 3.01Å; Y36-Q53 HydrophobicContact CE2-CB 4.43Å; Q53-K92 HydrophobicContact CG-CD 4.31Å; Q53-W94 HydrophobicContact CB-CD2 3.95Å; Q53-W94 HydrophobicContact CB-CE3 3.64Å; Q53-W94 HydrophobicContact CB-CH2 3.8Å; Q53-W94 HydrophobicContact CB-CZ2 4.1Å; Q53-W94 HydrophobicContact CB-CZ3 3.57Å; Q53-W94 HydrophobicContact CG-CD2 3.97Å; Q53-W94 HydrophobicContact CG-CE3 4.17Å; Q53-W94 HydrophobicContact CG-CH2 3.97Å; Q53-W94 HydrophobicContact CG-CZ2 3.76Å; Q53-W94 HydrophobicContact CG-CZ3 4.18Å
54I90.7Very high89.5Confident13 Ų1361.8 Ų61.87%0.06733%0.328CS..EExtended strand (participates in β ladder)trans-69.2138.2177.5-60.1-75.9000110.1K52 A63 E66 V93 L95K52-I54 HydrophobicContact CD-CD1 4.27Å; I54-A63 HydrophobicContact CG2-CB 3.94Å; I54-E66 WeakPolarHBondContact CD1-OE2 3.35Å; I54-V93 HydrophobicContact CB-CB 4.24Å; I54-V93 HydrophobicContact CG1-CB 4.16Å; I54-V93 HydrophobicContact CG1-CG1 4.11Å; I54-V93 PolarHBondContact N-O 3.05Å; I54-L95 HydrophobicContact CD1-CD1 3.94Å; I54-L95 HydrophobicContact CD1-CG 4.34Å; I54-L95 HydrophobicContact CG1-CD1 4.49Å; I54-L95 HydrophobicContact CG1-CG 4.38Å
55E86Confident89.2Confident93 Ų9357 Ų5744%0.43531%0.306SS..SBendtrans-60.7147.1176.3-168.749-125.300112.9Y32 H34Y32-E55 PolarHBondContact O-N 3.5Å; H34-E55 IonicContact CE1-OE2 2.87Å
56G86.8Confident88.9Confident33 Ų3355.3 Ų55.334%0.3430%0.297SS..SBendtrans78.6-159.6-17800000114.5K92G56-K92 WeakPolarHBondContact O-CD 3.25Å; G56-K92 WeakPolarHBondContact O-CE 3.25Å; G56-K92 PolarHBondContact O-NZ 2.99Å
57T87.3Confident89Confident94 Ų9447.6 Ų47.658%0.57726%0.261SS*.SBendtrans-131.6150.5179.560.40000111.1
58G88.3Confident88.9Confident17 Ų1744.8 Ų44.818%0.17526%0.259CS..SBendtrans73.3-163.5-174.700000113R91 V93G58-R91 PolarHBondContact N-O 3.43Å; G58-V93 WeakPolarHBondContact O-CG2 3.36Å
59I86Confident88.7Confident108 Ų10842.6 Ų42.655%0.55425%0.249SC*.  trans-101.496.3-179.3-55.3176.6000107.9A63 C64 V93I59-A63 HydrophobicContact CG2-CB 4.34Å; I59-C64 HydrophobicContact CG2-CB 3.71Å; I59-V93 HydrophobicContact CG1-CG2 4.28Å
60S84.2Confident88.5Confident50 Ų5042 Ų4235%0.3525%0.247SC..  trans-67.4161.7172.372.40000111S62 A63 C64S60-S62 PolarHBondContact O-N 2.92Å; S60-A63 WeakPolarHBondContact O-CB 3.21Å; S60-A63 PolarHBondContact O-N 3.16Å; S60-A63 VanDerWaalsContact O-N 3.09Å; S60-A63 WeakPolarHBondContact OG-CB 3.18Å; S60-A63 PolarHBondContact OG-N 3.3Å; S60-A63 VanDerWaalsContact OG-N 3.08Å; S60-C64 WeakPolarHBondContact O-CB 3.47Å; S60-C64 PolarHBondContact O-N 2.66Å
61M78.4Confident88.3Confident141 Ų14146.5 Ų46.570%0.69526%0.262SS*.Hα-helixtrans-57.9-33.3174.1-74.1-60.2-62.800112.3R65M61-R65 VanDerWaalsContact O-CB 3.24Å; M61-R65 WeakPolarHBondContact O-CB 3.46Å; M61-R65 PolarHBondContact O-N 3.08Å
62S78.9Confident88.1Confident43 Ų4354 Ų5430%0.30130%0.296SS..Hα-helixtrans-67.8-46.5173.9-56.90000111.3S60 R65 E66S60-S62 PolarHBondContact O-N 2.92Å; S62-R65 PolarHBondContact O-N 3.23Å; S62-E66 WeakPolarHBondContact O-CB 3.4Å; S62-E66 PolarHBondContact O-N 3.03Å
63A84.1Confident88.1Confident0 Ų053.9 Ų53.90%030%0.296CS..Hα-helixtrans-61.7-47.6177.900000112.4I54 I59 S60 R65 E66 I67I54-A63 HydrophobicContact CG2-CB 3.94Å; I59-A63 HydrophobicContact CG2-CB 4.34Å; S60-A63 WeakPolarHBondContact O-CB 3.21Å; S60-A63 PolarHBondContact O-N 3.16Å; S60-A63 VanDerWaalsContact O-N 3.09Å; S60-A63 WeakPolarHBondContact OG-CB 3.18Å; S60-A63 PolarHBondContact OG-N 3.3Å; S60-A63 VanDerWaalsContact OG-N 3.08Å; A63-R65 VanDerWaalsContact C-N 3.28Å; A63-R65 PolarHBondContact O-N 3.44Å; A63-E66 PolarHBondContact O-N 3.32Å; A63-I67 WeakPolarHBondContact O-CB 3.36Å; A63-I67 VanDerWaalsContact O-CG1 3.26Å; A63-I67 WeakPolarHBondContact O-CG1 3.23Å; A63-I67 PolarHBondContact O-N 2.78Å
64C85.6Confident88.3Confident64 Ų6461.5 Ų61.543%0.43233%0.329SS..Hα-helixtrans-56.6-45.6179-178.20000111.2I59 S60 A68I59-C64 HydrophobicContact CG2-CB 3.71Å; S60-C64 WeakPolarHBondContact O-CB 3.47Å; S60-C64 PolarHBondContact O-N 2.66Å; C64-A68 VanDerWaalsContact O-CB 3.25Å; C64-A68 WeakPolarHBondContact O-CB 3.42Å; C64-A68 PolarHBondContact O-N 3.23Å
65R83.5Confident88.7Confident56 Ų5662.6 Ų62.621%0.21133%0.334CS..Hα-helixtrans-70.4-43.5-178.7-169.8-164.7-23.5-109.76.8112.8M61 S62 A63 I67 A68 L69 A177 R178M61-R65 VanDerWaalsContact O-CB 3.24Å; M61-R65 WeakPolarHBondContact O-CB 3.46Å; M61-R65 PolarHBondContact O-N 3.08Å; S62-R65 PolarHBondContact O-N 3.23Å; A63-R65 VanDerWaalsContact C-N 3.28Å; A63-R65 PolarHBondContact O-N 3.44Å; R65-I67 VanDerWaalsContact C-N 3.31Å; R65-I67 PolarHBondContact O-N 2.69Å; R65-A68 PolarHBondContact O-N 3.49Å; R65-L69 HydrophobicContact CG-CD1 4.04Å; R65-L69 HydrophobicContact CG-CG 4.49Å; R65-L69 WeakPolarHBondContact O-CB 3.49Å; R65-L69 WeakPolarHBondContact O-CG 3.29Å; R65-L69 PolarHBondContact O-N 2.89Å; R65-A177 WeakPolarHBondContact CD-O 3.49Å; R65-R178 VanDerWaalsContact NH2-CZ 3.31Å; R65-R178 VanDerWaalsContact NH2-NH2 3.14Å
66E86.6Confident89.3Confident7 Ų761.3 Ų61.33%0.03333%0.334CS..Hα-helixtrans-59.3-45.9176.3-177.8168.1-159.100110K52 I54 S62 A63 L70 L95K52-E66 IonicContact NZ-OE1 3.63Å; K52-E66 PolarHBondContact NZ-OE1 3.08Å; K52-E66 IonicContact NZ-OE2 2.68Å; K52-E66 PolarHBondContact NZ-OE2 3.43Å; I54-E66 WeakPolarHBondContact CD1-OE2 3.35Å; S62-E66 WeakPolarHBondContact O-CB 3.4Å; S62-E66 PolarHBondContact O-N 3.03Å; A63-E66 PolarHBondContact O-N 3.32Å; E66-L70 HydrophobicContact CG-CD1 3.57Å; E66-L70 HydrophobicContact CG-CG 4.42Å; E66-L70 VanDerWaalsContact O-CB 3.25Å; E66-L70 WeakPolarHBondContact O-CB 3.1Å; E66-L70 VanDerWaalsContact O-CG 3.25Å; E66-L70 WeakPolarHBondContact O-CG 3.35Å; E66-L70 PolarHBondContact O-N 2.87Å; E66-L95 HydrophobicContact CG-CD1 4Å
67I90.6Very high89.8Confident32 Ų3260 Ų6016%0.16432%0.319CS..Hα-helixtrans-61.9-50174.8-66.5165.5000111.1A63 R65 L69 L70 R71 V84 V93 L95A63-I67 WeakPolarHBondContact O-CB 3.36Å; A63-I67 VanDerWaalsContact O-CG1 3.26Å; A63-I67 WeakPolarHBondContact O-CG1 3.23Å; A63-I67 PolarHBondContact O-N 2.78Å; R65-I67 VanDerWaalsContact C-N 3.31Å; R65-I67 PolarHBondContact O-N 2.69Å; I67-L69 PolarHBondContact O-N 2.78Å; I67-L70 PolarHBondContact O-N 2.72Å; I67-R71 HydrophobicContact CG2-CG 4.23Å; I67-R71 WeakPolarHBondContact O-CB 3.31Å; I67-R71 WeakPolarHBondContact O-CG 3.47Å; I67-R71 PolarHBondContact O-N 2.96Å; I67-V84 HydrophobicContact CD1-CG1 4.23Å; I67-V84 HydrophobicContact CG1-CG2 4.26Å; I67-V84 HydrophobicContact CG2-CG2 4.22Å; I67-V93 HydrophobicContact CD1-CG1 3.97Å; I67-L95 HydrophobicContact CD1-CD2 4.18Å; I67-L95 HydrophobicContact CG1-CD2 3.72Å
68A90.4Very high90.4Very high55 Ų5555.7 Ų55.746%0.45529%0.292SS..Hα-helixtrans-61.6-43.2-175.900000112.4C64 R65C64-A68 VanDerWaalsContact O-CB 3.25Å; C64-A68 WeakPolarHBondContact O-CB 3.42Å; C64-A68 PolarHBondContact O-N 3.23Å; R65-A68 PolarHBondContact O-N 3.49Å
69L91.1Very high90.8Very high14 Ų1455.3 Ų55.37%0.07329%0.287CS..Hα-helixtrans-70.1-51.2178.3-69.5174.5000111.3R65 I67 R71 E72 L73 V147 A177 L179R65-L69 HydrophobicContact CG-CD1 4.04Å; R65-L69 HydrophobicContact CG-CG 4.49Å; R65-L69 WeakPolarHBondContact O-CB 3.49Å; R65-L69 WeakPolarHBondContact O-CG 3.29Å; R65-L69 PolarHBondContact O-N 2.89Å; I67-L69 PolarHBondContact O-N 2.78Å; L69-R71 PolarHBondContact O-N 2.87Å; L69-R71 VanDerWaalsContact O-N 3.16Å; L69-E72 PolarHBondContact O-N 3.43Å; L69-L73 HydrophobicContact CB-CD1 4.12Å; L69-L73 VanDerWaalsContact O-CG 3.23Å; L69-L73 WeakPolarHBondContact O-CG 3.11Å; L69-L73 PolarHBondContact O-N 2.84Å; L69-V147 HydrophobicContact CD1-CG1 4.33Å; L69-V147 HydrophobicContact CD2-CG2 3.9Å; L69-A177 HydrophobicContact CD1-CB 3.64Å; L69-L179 HydrophobicContact CD2-CD2 3.92Å; L69-L179 HydrophobicContact CD2-CG 4.07Å
70L93.8Very high91.3Very high5 Ų552.1 Ų52.13%0.02628%0.276CS..Hα-helixtrans-68.4-15.4-175.6-67.7172.7000113.6E66 I67 I79 L81 F97 M174E66-L70 HydrophobicContact CG-CD1 3.57Å; E66-L70 HydrophobicContact CG-CG 4.42Å; E66-L70 VanDerWaalsContact O-CB 3.25Å; E66-L70 WeakPolarHBondContact O-CB 3.1Å; E66-L70 VanDerWaalsContact O-CG 3.25Å; E66-L70 WeakPolarHBondContact O-CG 3.35Å; E66-L70 PolarHBondContact O-N 2.87Å; I67-L70 PolarHBondContact O-N 2.72Å; L70-I79 HydrophobicContact CD2-CG2 4.07Å; L70-L81 HydrophobicContact CB-CB 3.71Å; L70-L81 HydrophobicContact CB-CD2 4.01Å; L70-F97 HydrophobicContact CD1-CE1 3.96Å; L70-F97 HydrophobicContact CD1-CZ 4.08Å; L70-M174 HydrophobicContact CD2-CG 3.77Å; L70-M174 HydrophobicContact CG-CG 4.22Å
71R94.4Very high91.9Very high110 Ų11050.4 Ų50.442%0.41526%0.263SS..Hα-helixtrans-72.9-30.9171.1-77.7-68.5166-155.50.9113.5I67 L69 L81 Q82 K83 V84I67-R71 HydrophobicContact CG2-CG 4.23Å; I67-R71 WeakPolarHBondContact O-CB 3.31Å; I67-R71 WeakPolarHBondContact O-CG 3.47Å; I67-R71 PolarHBondContact O-N 2.96Å; L69-R71 PolarHBondContact O-N 2.87Å; L69-R71 VanDerWaalsContact O-N 3.16Å; R71-L81 HydrophobicContact CG-CD2 4.04Å; R71-L81 PolarHBondContact NH1-O 2.87Å; R71-Q82 PolarHBondContact NH1-O 2.74Å; R71-K83 VanDerWaalsContact NH2-C 3.32Å; R71-V84 VanDerWaalsContact NH2-CG2 3.31Å
72E94.3Very high92.8Very high157 Ų15748 Ų4873%0.73425%0.25SS*.Hα-helixtrans-96.1-30.3-178.4-58.1-55.4129.500112.6L69 K74L69-E72 PolarHBondContact O-N 3.43Å; E72-K74 PolarHBondContact O-N 3.28Å
73L95.5Very high93.7Very high15 Ų1549 Ų498%0.07925%0.249CC..  trans-73.9127.2-176-66.1170.9000111.8L69 Y141 L142 N145 V147L69-L73 HydrophobicContact CB-CD1 4.12Å; L69-L73 VanDerWaalsContact O-CG 3.23Å; L69-L73 WeakPolarHBondContact O-CG 3.11Å; L69-L73 PolarHBondContact O-N 2.84Å; L73-Y141 HydrophobicContact CB-CE1 4.24Å; L73-Y141 HydrophobicContact CD2-CD1 4.48Å; L73-Y141 HydrophobicContact CD2-CE1 3.64Å; L73-L142 HydrophobicContact CD1-CD2 3.67Å; L73-L142 HydrophobicContact CD2-CD2 3.92Å; L73-L142 HydrophobicContact CG-CD2 4.39Å; L73-N145 HydrophobicContact CD2-CB 4.35Å; L73-V147 HydrophobicContact CD2-CG2 4.22Å
74K97.6Very high94.3Very high184 Ų18450.9 Ų50.980%0.826%0.26SS*.  trans-142.3100178.1-172.5176.3-179.21780110.9E72 Y141E72-K74 PolarHBondContact O-N 3.28Å; K74-Y141 PolarHBondContact N-OH 3.42Å; K74-Y141 PolarHBondContact O-OH 3.45Å
75H98.6Very high94.9Very high36 Ų3648.2 Ų48.217%0.16724%0.241CC..  trans-148.7143.4177.2-172.1-97.1000110.4N77 V78 D137 Y141H75-N77 PolarHBondContact ND1-N 3.02Å; H75-N77 PolarHBondContact O-N 3.08Å; H75-N77 VanDerWaalsContact O-N 3.11Å; H75-V78 HydrophobicContact CB-CB 4.18Å; H75-V78 HydrophobicContact CB-CG2 4Å; H75-V78 PolarHBondContact O-N 3.08Å; H75-V78 VanDerWaalsContact O-N 3.1Å; H75-V78 VanDerWaalsContact O-O 3.12Å; H75-D137 IonicContact CE1-OD1 3.94Å; H75-D137 IonicContact CE1-OD2 3.3Å; H75-D137 PolarHBondContact CE1-OD2 2.95Å; H75-D137 IonicContact NE2-OD1 3.97Å; H75-D137 IonicContact NE2-OD2 2.72Å; H75-Y141 HydrophobicContact CB-CD1 3.42Å; H75-Y141 VanDerWaalsContact CB-CD1 3.42Å; H75-Y141 HydrophobicContact CB-CD2 4.07Å; H75-Y141 HydrophobicContact CB-CE1 3.68Å; H75-Y141 HydrophobicContact CB-CE2 4.31Å; H75-Y141 HydrophobicContact CB-CG 3.62Å; H75-Y141 AromaticContact CD2-CD2 3.76Å; H75-Y141 AromaticContact CD2-CG 3.64Å; H75-Y141 AromaticContact CG-CD1 3.94Å; H75-Y141 AromaticContact CG-CG 3.67Å
76P98.4Very high95.5Very high66 Ų6648.9 Ų48.943%0.42925%0.249SC..THydrogen-bonded Turntrans-54.4-33.1179.5-27.435.6000113.8R168 K170P76-R168 WeakPolarHBondContact O-CD 3.35Å; P76-K170 VanDerWaalsContact O-CD 3.31Å; P76-K170 WeakPolarHBondContact O-CD 3.16Å; P76-K170 WeakPolarHBondContact O-CE 3.16Å; P76-K170 PolarHBondContact O-NZ 2.9Å
77N98.8Very high95.9Very high7 Ų749.5 Ų49.54%0.03725%0.254CS..THydrogen-bonded Turntrans-98.413.8-178.8-57.8116.7000116.1H75 Q134 D137 V169 I171H75-N77 PolarHBondContact ND1-N 3.02Å; H75-N77 PolarHBondContact O-N 3.08Å; H75-N77 VanDerWaalsContact O-N 3.11Å; N77-Q134 WeakPolarHBondContact CB-O 3.32Å; N77-Q134 PolarHBondContact ND2-OE1 3.01Å; N77-D137 PolarHBondContact OD1-OD2 3.04Å; N77-V169 VanDerWaalsContact CA-O 3.24Å; N77-V169 WeakPolarHBondContact CA-O 3.27Å; N77-V169 PolarHBondContact ND2-O 3.46Å; N77-I171 WeakPolarHBondContact O-CG1 3.36Å; N77-I171 PolarHBondContact O-N 2.99Å
78V98.4Very high96Very high2 Ų254 Ų541%0.01227%0.274CS..BIsolated β-bridgetrans-119.2138.5170.8178.60000108.2H75 A80 Y141 L142 M174H75-V78 HydrophobicContact CB-CB 4.18Å; H75-V78 HydrophobicContact CB-CG2 4Å; H75-V78 PolarHBondContact O-N 3.08Å; H75-V78 VanDerWaalsContact O-N 3.1Å; H75-V78 VanDerWaalsContact O-O 3.12Å; V78-A80 PolarHBondContact O-N 2.81Å; V78-Y141 HydrophobicContact CG2-CD1 4.12Å; V78-L142 HydrophobicContact CG1-CD2 4.36Å; V78-L142 HydrophobicContact CG2-CD1 4.45Å; V78-L142 HydrophobicContact CG2-CD2 4.04Å; V78-L142 HydrophobicContact CG2-CG 4.11Å; V78-M174 HydrophobicContact CG1-CE 4.05Å
79I97.4Very high96Very high10 Ų1056.6 Ų56.65%0.05129%0.289CS..  trans-61.5133.4179.1-164.566.9000110.4L70 F97 L158 K170 I171 A172L70-I79 HydrophobicContact CD2-CG2 4.07Å; I79-F97 HydrophobicContact CD1-CB 4.27Å; I79-F97 HydrophobicContact CG1-CB 4.18Å; I79-F97 HydrophobicContact CG1-CD1 3.65Å; I79-F97 HydrophobicContact CG1-CE1 4.3Å; I79-F97 HydrophobicContact CG1-CG 4.08Å; I79-F97 HydrophobicContact CG2-CE1 4.42Å; I79-L158 HydrophobicContact CD1-CD1 4.41Å; I79-K170 HydrophobicContact CB-CB 4.44Å; I79-K170 HydrophobicContact CD1-CB 4.06Å; I79-K170 HydrophobicContact CD1-CG 4.26Å; I79-I171 WeakPolarHBondContact CG2-O 2.96Å; I79-I171 PolarHBondContact N-O 3.46Å; I79-A172 HydrophobicContact CB-CB 4.26Å; I79-A172 HydrophobicContact CG2-CB 4.07Å
80A96.9Very high96.1Very high41 Ų4159.4 Ų59.434%0.33930%0.304SS..  trans-100.8121.4-175.100000111.1V78 Q82 F97V78-A80 PolarHBondContact O-N 2.81Å; A80-Q82 PolarHBondContact O-N 2.85Å; A80-F97 WeakPolarHBondContact O-CD1 3.05Å
81L97.3Very high96.2Very high14 Ų1467 Ų677%0.07333%0.332CS..  trans-73.8108.6175.6176.164.8000110.4L70 R71 K83 V84 L95 F97L70-L81 HydrophobicContact CB-CB 3.71Å; L70-L81 HydrophobicContact CB-CD2 4.01Å; R71-L81 HydrophobicContact CG-CD2 4.04Å; R71-L81 PolarHBondContact NH1-O 2.87Å; L81-K83 WeakPolarHBondContact CD1-O 3.27Å; L81-V84 HydrophobicContact CD1-CG2 4.17Å; L81-V84 HydrophobicContact CD2-CG2 3.8Å; L81-V84 HydrophobicContact CG-CG2 4.32Å; L81-L95 HydrophobicContact CD1-CB 3.79Å; L81-L95 HydrophobicContact CD1-CD2 4.04Å; L81-L95 HydrophobicContact CD1-CG 4.35Å; L81-F97 HydrophobicContact CB-CE1 3.98Å; L81-F97 HydrophobicContact CD1-CE1 3.85Å; L81-F97 HydrophobicContact CD1-CZ 3.99Å
82Q96.8Very high96.2Very high90 Ų9063.7 Ų63.742%0.42132%0.321SS..  trans-74.1-55.3178.8-61.8-67.7-8.400110R71 A80 L96 D98R71-Q82 PolarHBondContact NH1-O 2.74Å; A80-Q82 PolarHBondContact O-N 2.85Å; Q82-L96 HydrophobicContact CB-CB 4.35Å; Q82-L96 HydrophobicContact CB-CD2 4.03Å; Q82-L96 HydrophobicContact CB-CG 4.13Å; Q82-L96 WeakPolarHBondContact CB-O 3.39Å; Q82-L96 PolarHBondContact N-O 2.87Å; Q82-D98 PolarHBondContact NE2-OD2 3.35Å
83K97Very high96.2Very high65 Ų6556.4 Ų56.428%0.28329%0.287SS..EExtended strand (participates in β ladder)trans-148154.2-171.6-151.9157.6179.6173.60112.1E14 R71 L81 F85 L96E14-K83 IonicContact OE1-NZ 2.76Å; E14-K83 PolarHBondContact OE1-NZ 2.98Å; E14-K83 WeakPolarHBondContact OE2-CE 3.23Å; E14-K83 IonicContact OE2-NZ 2.62Å; E14-K83 PolarHBondContact OE2-NZ 3.08Å; R71-K83 VanDerWaalsContact NH2-C 3.32Å; L81-K83 WeakPolarHBondContact CD1-O 3.27Å; K83-F85 HydrophobicContact CB-CE2 4.17Å; K83-F85 HydrophobicContact CB-CZ 4.12Å; K83-F85 HydrophobicContact CD-CE1 3.92Å; K83-F85 HydrophobicContact CD-CZ 3.67Å; K83-F85 HydrophobicContact CG-CE1 4.16Å; K83-F85 HydrophobicContact CG-CE2 4.32Å; K83-F85 HydrophobicContact CG-CZ 3.88Å; K83-L96 HydrophobicContact CB-CB 3.94Å; K83-L96 HydrophobicContact CB-CD2 3.86Å; K83-L96 PolarHBondContact O-N 3.32Å
84V97.4Very high96.3Very high38 Ų3856.2 Ų56.223%0.2329%0.286CS..EExtended strand (participates in β ladder)trans-120.5128.4173.7173.90000107I67 R71 L81 L86 V93 W94 L95I67-V84 HydrophobicContact CD1-CG1 4.23Å; I67-V84 HydrophobicContact CG1-CG2 4.26Å; I67-V84 HydrophobicContact CG2-CG2 4.22Å; R71-V84 VanDerWaalsContact NH2-CG2 3.31Å; L81-V84 HydrophobicContact CD1-CG2 4.17Å; L81-V84 HydrophobicContact CD2-CG2 3.8Å; L81-V84 HydrophobicContact CG-CG2 4.32Å; V84-L86 HydrophobicContact CG1-CD2 4.03Å; V84-L86 HydrophobicContact CG1-CG 4.31Å; V84-V93 HydrophobicContact CG1-CG1 4.44Å; V84-W94 CarbonylContact C-O 3.59Å; V84-W94 WeakPolarHBondContact CA-O 3.39Å; V84-L95 HydrophobicContact CB-CD2 4.47Å; V84-L95 HydrophobicContact CG1-CD2 4.32Å; V84-L95 HydrophobicContact CG2-CD2 3.74Å
85F97.4Very high96.2Very high8 Ų847.5 Ų47.54%0.03525%0.248CC..EExtended strand (participates in β ladder)trans-110.4131.5170.8-51.4-85.1000109.7E14 V16 L19 F20 L51 K83 W94 L96E14-F85 HydrophobicContact CB-CE1 4.35Å; V16-F85 HydrophobicContact CB-CB 4.28Å; V16-F85 HydrophobicContact CB-CD2 4.14Å; V16-F85 HydrophobicContact CB-CG 4.11Å; V16-F85 HydrophobicContact CG2-CD2 4.19Å; L19-F85 HydrophobicContact CD1-CE1 3.8Å; L19-F85 HydrophobicContact CD1-CZ 4.16Å; F20-F85 HydrophobicContact CD2-CZ 4.43Å; F20-F85 HydrophobicContact CE2-CE2 4.07Å; F20-F85 AromaticContact CE2-CZ 3.78Å; F20-F85 HydrophobicContact CE2-CZ 3.78Å; L51-F85 HydrophobicContact CD2-CE2 4.34Å; K83-F85 HydrophobicContact CB-CE2 4.17Å; K83-F85 HydrophobicContact CB-CZ 4.12Å; K83-F85 HydrophobicContact CD-CE1 3.92Å; K83-F85 HydrophobicContact CD-CZ 3.67Å; K83-F85 HydrophobicContact CG-CE1 4.16Å; K83-F85 HydrophobicContact CG-CE2 4.32Å; K83-F85 HydrophobicContact CG-CZ 3.88Å; F85-W94 HydrophobicContact CB-CB 4.11Å; F85-W94 HydrophobicContact CD2-CB 4.25Å; F85-W94 PolarHBondContact N-O 2.95Å; F85-W94 PolarHBondContact O-N 3.49Å; F85-L96 HydrophobicContact CE2-CB 4.13Å; F85-L96 HydrophobicContact CE2-CD2 4.44Å
86L96.4Very high96.2Very high70 Ų7046.2 Ų46.237%0.36624%0.242SC..EExtended strand (participates in β ladder)trans-111.2104.4175.5-60.1179.1000107.8R13 V84 H88 V93R13-L86 PolarHBondContact NH1-O 3.17Å; V84-L86 HydrophobicContact CG1-CD2 4.03Å; V84-L86 HydrophobicContact CG1-CG 4.31Å; L86-H88 PolarHBondContact O-CD2 2.86Å; L86-V93 HydrophobicContact CD2-CB 4.43Å; L86-V93 HydrophobicContact CD2-CG1 4.11Å; L86-V93 HydrophobicContact CD2-CG2 3.89Å
87S95Very high96.2Very high21 Ų2143.7 Ų43.715%0.14722%0.224CC..  trans-81.4118.4174175.70000108.9S89 D90 R91 K92S87-S89 PolarHBondContact OG-OG 3.03Å; S87-D90 WeakPolarHBondContact CB-OD1 3.41Å; S87-D90 PolarHBondContact OG-OD1 3.46Å; S87-R91 CarbonylContact O-C 3.5Å; S87-R91 WeakPolarHBondContact O-CA 3.42Å; S87-R91 PolarHBondContact O-N 2.98Å; S87-R91 VanDerWaalsContact O-N 3.12Å; S87-K92 PolarHBondContact N-O 3.15Å; S87-K92 PolarHBondContact O-N 2.81Å
88H92.4Very high96.1Very high125 Ų12545.1 Ų45.158%0.57923%0.232SC*.SBendtrans-84.6-26.1-174.8-82.9-136.8000113R13 L86R13-H88 VanDerWaalsContact CZ-CD2 3.42Å; R13-H88 VanDerWaalsContact CZ-NE2 3.26Å; R13-H88 PolarHBondContact NH1-CD2 3.09Å; R13-H88 PolarHBondContact NH1-NE2 3.27Å; R13-H88 PolarHBondContact NH2-CE1 2.85Å; R13-H88 VanDerWaalsContact NH2-CE1 3.28Å; R13-H88 PolarHBondContact NH2-NE2 2.93Å; R13-H88 VanDerWaalsContact NH2-NE2 3.16Å; L86-H88 PolarHBondContact O-CD2 2.86Å
89S92Very high96.1Very high111 Ų11145.9 Ų45.978%0.77624%0.235SC*.SBendtrans-68.8-47.9-177.5450000111.9S87S87-S89 PolarHBondContact OG-OG 3.03Å
90D93Very high96.1Very high73 Ų7345.7 Ų45.739%0.3924%0.235SC..SBendtrans-106.2-0.5-178.766.3-1.9000113.3S87 K92S87-D90 WeakPolarHBondContact CB-OD1 3.41Å; S87-D90 PolarHBondContact OG-OD1 3.46Å; D90-K92 HydrophobicContact CB-CG 4.19Å; D90-K92 PolarHBondContact O-N 3.44Å; D90-K92 WeakPolarHBondContact OD1-CB 3.24Å; D90-K92 PolarHBondContact OD1-N 2.99Å; D90-K92 VanDerWaalsContact OD2-CG 3.22Å; D90-K92 WeakPolarHBondContact OD2-CG 3.09Å
91R94.5Very high96.2Very high164 Ų16444.3 Ų44.362%0.61922%0.221SC*.  trans58.527.9-178.4-54.717765.3-169.7-0.5113G58 S87G58-R91 PolarHBondContact N-O 3.43Å; S87-R91 CarbonylContact O-C 3.5Å; S87-R91 WeakPolarHBondContact O-CA 3.42Å; S87-R91 PolarHBondContact O-N 2.98Å; S87-R91 VanDerWaalsContact O-N 3.12Å
92K94.4Very high96.2Very high40 Ų4044.1 Ų44.117%0.17422%0.22CC..  trans-83.6147.6177.1-67.2-68.6-174.4171.60112.3Q53 G56 S87 D90Q53-K92 HydrophobicContact CG-CD 4.31Å; G56-K92 WeakPolarHBondContact O-CD 3.25Å; G56-K92 WeakPolarHBondContact O-CE 3.25Å; G56-K92 PolarHBondContact O-NZ 2.99Å; S87-K92 PolarHBondContact N-O 3.15Å; S87-K92 PolarHBondContact O-N 2.81Å; D90-K92 HydrophobicContact CB-CG 4.19Å; D90-K92 PolarHBondContact O-N 3.44Å; D90-K92 WeakPolarHBondContact OD1-CB 3.24Å; D90-K92 PolarHBondContact OD1-N 2.99Å; D90-K92 VanDerWaalsContact OD2-CG 3.22Å; D90-K92 WeakPolarHBondContact OD2-CG 3.09Å
93V95.4Very high96.2Very high5 Ų540.1 Ų40.13%0.0320%0.201CC..EExtended strand (participates in β ladder)trans-112.6128.7176.4-179.60000108.5I54 G58 I59 I67 V84 L86 L95I54-V93 HydrophobicContact CB-CB 4.24Å; I54-V93 HydrophobicContact CG1-CB 4.16Å; I54-V93 HydrophobicContact CG1-CG1 4.11Å; I54-V93 PolarHBondContact N-O 3.05Å; G58-V93 WeakPolarHBondContact O-CG2 3.36Å; I59-V93 HydrophobicContact CG1-CG2 4.28Å; I67-V93 HydrophobicContact CD1-CG1 3.97Å; V84-V93 HydrophobicContact CG1-CG1 4.44Å; L86-V93 HydrophobicContact CD2-CB 4.43Å; L86-V93 HydrophobicContact CD2-CG1 4.11Å; L86-V93 HydrophobicContact CD2-CG2 3.89Å; V93-L95 HydrophobicContact CG1-CD2 4.3Å
94W96.7Very high96.3Very high11 Ų1137 Ų374%0.04219%0.188CC..EExtended strand (participates in β ladder)trans-121.2136.1178.6-60.282.1000110.9V16 Y22 Y36 L51 K52 Q53 V84 F85V16-W94 HydrophobicContact CG1-CD2 4.12Å; V16-W94 HydrophobicContact CG1-CG 4.14Å; V16-W94 HydrophobicContact CG1-CZ2 4.43Å; V16-W94 HydrophobicContact CG2-CD2 4.38Å; V16-W94 HydrophobicContact CG2-CE3 4.44Å; V16-W94 HydrophobicContact CG2-CG 4.47Å; Y22-W94 AromaticContact CE2-CH2 3.85Å; Y22-W94 HydrophobicContact CE2-CH2 3.85Å; Y22-W94 HydrophobicContact CE2-CZ3 4.33Å; Y36-W94 HydrophobicContact CD2-CH2 4.39Å; Y36-W94 AromaticContact CD2-CZ3 3.82Å; Y36-W94 HydrophobicContact CD2-CZ3 3.82Å; Y36-W94 HydrophobicContact CE2-CH2 4Å; Y36-W94 AromaticContact CE2-CZ3 3.84Å; Y36-W94 HydrophobicContact CE2-CZ3 3.84Å; L51-W94 HydrophobicContact CB-CE3 4.23Å; L51-W94 HydrophobicContact CB-CZ3 4.41Å; K52-W94 CarbonylContact O-C 3.5Å; K52-W94 VanDerWaalsContact O-CA 3.31Å; K52-W94 WeakPolarHBondContact O-CA 3.38Å; Q53-W94 HydrophobicContact CB-CD2 3.95Å; Q53-W94 HydrophobicContact CB-CE3 3.64Å; Q53-W94 HydrophobicContact CB-CH2 3.8Å; Q53-W94 HydrophobicContact CB-CZ2 4.1Å; Q53-W94 HydrophobicContact CB-CZ3 3.57Å; Q53-W94 HydrophobicContact CG-CD2 3.97Å; Q53-W94 HydrophobicContact CG-CE3 4.17Å; Q53-W94 HydrophobicContact CG-CH2 3.97Å; Q53-W94 HydrophobicContact CG-CZ2 3.76Å; Q53-W94 HydrophobicContact CG-CZ3 4.18Å; V84-W94 CarbonylContact C-O 3.59Å; V84-W94 WeakPolarHBondContact CA-O 3.39Å; F85-W94 HydrophobicContact CB-CB 4.11Å; F85-W94 HydrophobicContact CD2-CB 4.25Å; F85-W94 PolarHBondContact N-O 2.95Å; F85-W94 PolarHBondContact O-N 3.49Å
95L96.8Very high96.2Very high0 Ų037.8 Ų37.80%019%0.187CC..EExtended strand (participates in β ladder)trans-114.2132.4176-51.8-175000109.5L51 K52 I54 E66 I67 L81 V84 V93 F97L51-L95 WeakPolarHBondContact CA-O 3.34Å; K52-L95 HydrophobicContact CB-CB 4.32Å; K52-L95 HydrophobicContact CD-CD1 4.49Å; K52-L95 PolarHBondContact N-O 2.85Å; K52-L95 PolarHBondContact O-N 3.4Å; I54-L95 HydrophobicContact CD1-CD1 3.94Å; I54-L95 HydrophobicContact CD1-CG 4.34Å; I54-L95 HydrophobicContact CG1-CD1 4.49Å; I54-L95 HydrophobicContact CG1-CG 4.38Å; E66-L95 HydrophobicContact CG-CD1 4Å; I67-L95 HydrophobicContact CD1-CD2 4.18Å; I67-L95 HydrophobicContact CG1-CD2 3.72Å; L81-L95 HydrophobicContact CD1-CB 3.79Å; L81-L95 HydrophobicContact CD1-CD2 4.04Å; L81-L95 HydrophobicContact CD1-CG 4.35Å; V84-L95 HydrophobicContact CB-CD2 4.47Å; V84-L95 HydrophobicContact CG1-CD2 4.32Å; V84-L95 HydrophobicContact CG2-CD2 3.74Å; V93-L95 HydrophobicContact CG1-CD2 4.3Å; L95-F97 HydrophobicContact CB-CD2 4.4Å; L95-F97 HydrophobicContact CB-CE2 3.44Å; L95-F97 VanDerWaalsContact CB-CE2 3.44Å; L95-F97 HydrophobicContact CB-CZ 3.6Å; L95-F97 HydrophobicContact CD1-CE2 4.35Å; L95-F97 HydrophobicContact CD1-CZ 3.93Å; L95-F97 HydrophobicContact CG-CZ 4.42Å
96L97.9Very high96.1Very high9 Ų941.4 Ų41.45%0.04720%0.203CC..EExtended strand (participates in β ladder)trans-104.1132.2178.8-176.773.2000110.5F20 Y49 L51 Q82 K83 F85F20-L96 HydrophobicContact CD1-CD1 4.46Å; F20-L96 HydrophobicContact CE1-CD1 3.83Å; F20-L96 HydrophobicContact CE1-CD2 4.39Å; F20-L96 HydrophobicContact CE2-CD1 4.11Å; F20-L96 HydrophobicContact CE2-CD2 4.08Å; F20-L96 HydrophobicContact CZ-CD1 3.65Å; F20-L96 HydrophobicContact CZ-CD2 3.55Å; F20-L96 HydrophobicContact CZ-CG 4.27Å; Y49-L96 HydrophobicContact CD1-CD1 3.93Å; Y49-L96 HydrophobicContact CD1-CD2 4.34Å; Y49-L96 HydrophobicContact CD1-CG 4.14Å; Y49-L96 HydrophobicContact CG-CD1 4Å; L51-L96 HydrophobicContact CD2-CB 4.29Å; L51-L96 HydrophobicContact CD2-CD1 3.68Å; L51-L96 HydrophobicContact CG-CD1 4.08Å; Q82-L96 HydrophobicContact CB-CB 4.35Å; Q82-L96 HydrophobicContact CB-CD2 4.03Å; Q82-L96 HydrophobicContact CB-CG 4.13Å; Q82-L96 WeakPolarHBondContact CB-O 3.39Å; Q82-L96 PolarHBondContact N-O 2.87Å; K83-L96 HydrophobicContact CB-CB 3.94Å; K83-L96 HydrophobicContact CB-CD2 3.86Å; K83-L96 PolarHBondContact O-N 3.32Å; F85-L96 HydrophobicContact CE2-CB 4.13Å; F85-L96 HydrophobicContact CE2-CD2 4.44Å
97F97.8Very high96.1Very high14 Ų1438.1 Ų38.16%0.06119%0.186CC..EExtended strand (participates in β ladder)trans-135.7162.4177-51.4-82.3000110.8Y49 A50 K52 L70 I79 A80 L81 L95Y49-F97 CarbonylContact C-O 3.57Å; Y49-F97 WeakPolarHBondContact CA-O 3.39Å; A50-F97 HydrophobicContact CB-CB 4.3Å; A50-F97 PolarHBondContact N-O 3.26Å; A50-F97 PolarHBondContact O-N 3.19Å; K52-F97 HydrophobicContact CB-CE2 4.02Å; L70-F97 HydrophobicContact CD1-CE1 3.96Å; L70-F97 HydrophobicContact CD1-CZ 4.08Å; I79-F97 HydrophobicContact CD1-CB 4.27Å; I79-F97 HydrophobicContact CG1-CB 4.18Å; I79-F97 HydrophobicContact CG1-CD1 3.65Å; I79-F97 HydrophobicContact CG1-CE1 4.3Å; I79-F97 HydrophobicContact CG1-CG 4.08Å; I79-F97 HydrophobicContact CG2-CE1 4.42Å; A80-F97 WeakPolarHBondContact O-CD1 3.05Å; L81-F97 HydrophobicContact CB-CE1 3.98Å; L81-F97 HydrophobicContact CD1-CE1 3.85Å; L81-F97 HydrophobicContact CD1-CZ 3.99Å; L95-F97 HydrophobicContact CB-CD2 4.4Å; L95-F97 HydrophobicContact CB-CE2 3.44Å; L95-F97 VanDerWaalsContact CB-CE2 3.44Å; L95-F97 HydrophobicContact CB-CZ 3.6Å; L95-F97 HydrophobicContact CD1-CE2 4.35Å; L95-F97 HydrophobicContact CD1-CZ 3.93Å; L95-F97 HydrophobicContact CG-CZ 4.42Å
98D97.8Very high96.2Very high36 Ų3637.2 Ų37.219%0.19318%0.18CC..EExtended strand (participates in β ladder)trans-65.8140.3163-62.9-52.5000109.7Q82 M160Q82-D98 PolarHBondContact NE2-OD2 3.35Å; D98-M160 HydrophobicContact CB-CE 4.2Å
99Y98.1Very high96.2Very high18 Ų1835 Ų357%0.07117%0.169CC..  trans-77.8126.5-175.3-175.5-105000112.3V27 K37 E48 A50 E101 R356V27-Y99 HydrophobicContact CG2-CE2 4.28Å; K37-Y99 HydrophobicContact CB-CD2 4.3Å; K37-Y99 HydrophobicContact CB-CE2 3.85Å; K37-Y99 HydrophobicContact CD-CD1 4.44Å; K37-Y99 HydrophobicContact CD-CE1 3.89Å; K37-Y99 HydrophobicContact CD-CE2 4.06Å; K37-Y99 HydrophobicContact CG-CD2 4.04Å; K37-Y99 HydrophobicContact CG-CE1 4.32Å; K37-Y99 HydrophobicContact CG-CE2 3.81Å; K37-Y99 HydrophobicContact CG-CG 4.4Å; E48-Y99 VanDerWaalsContact C-CB 3.43Å; E48-Y99 HydrophobicContact CB-CD1 4.13Å; E48-Y99 HydrophobicContact CB-CG 4.21Å; E48-Y99 WeakPolarHBondContact O-CB 3.44Å; E48-Y99 PolarHBondContact O-N 3.47Å; E48-Y99 VanDerWaalsContact O-N 3.13Å; A50-Y99 HydrophobicContact CB-CD2 4.12Å; Y99-E101 HydrophobicContact CE1-CB 4.13Å; Y99-E101 HydrophobicContact CE1-CG 4.47Å; Y99-E101 WeakPolarHBondContact CE1-OE2 3.46Å; Y99-E101 PolarHBondContact OH-OE1 2.98Å; Y99-R356 WeakPolarHBondContact OH-CD 3.39Å
100A98.1Very high96.3Very high6 Ų632.6 Ų32.65%0.0514%0.144CC..  trans-102110.5171.100000110.4H102 L158 M160 R356A100-H102 PolarHBondContact O-N 3Å; A100-L158 HydrophobicContact CB-CB 3.64Å; A100-L158 HydrophobicContact CB-CD1 3.98Å; A100-L158 HydrophobicContact CB-CG 4.38Å; A100-M160 HydrophobicContact CB-SD 3.89Å; A100-R356 PolarHBondContact O-NE 3.11Å
101E97.6Very high96.2Very high13 Ų1329.2 Ų29.26%0.06113%0.126CC..  trans-64.5-27.8-176.9-16866.9-103.300112.6K37 Y99 K355 R356K37-E101 IonicContact NZ-OE2 2.86Å; K37-E101 PolarHBondContact NZ-OE2 2.86Å; Y99-E101 HydrophobicContact CE1-CB 4.13Å; Y99-E101 HydrophobicContact CE1-CG 4.47Å; Y99-E101 WeakPolarHBondContact CE1-OE2 3.46Å; Y99-E101 PolarHBondContact OH-OE1 2.98Å; E101-K355 HydrophobicContact CG-CB 4.36Å; E101-K355 HydrophobicContact CG-CG 4.03Å; E101-K355 WeakPolarHBondContact OE1-CA 3.25Å; E101-K355 WeakPolarHBondContact OE1-CB 3.48Å; E101-R356 WeakPolarHBondContact O-CG 3.14Å; E101-R356 PolarHBondContact O-NE 3.14Å; E101-R356 PolarHBondContact OE1-N 2.94Å
102H98Very high95.9Very high10 Ų1024.7 Ų24.75%0.04611%0.109CC..EExtended strand (participates in β ladder)trans-123.3162.4-175-50.3-58.6000112.4A100 I107 L158 V159 R356A100-H102 PolarHBondContact O-N 3Å; H102-I107 HydrophobicContact CB-CD1 4.08Å; H102-I107 HydrophobicContact CB-CG1 4.43Å; H102-L158 WeakPolarHBondContact O-CA 3.48Å; H102-V159 HydrophobicContact CB-CB 4.18Å; H102-V159 PolarHBondContact N-O 3.4Å; H102-V159 VanDerWaalsContact N-O 3.11Å; H102-V159 PolarHBondContact O-N 3.04Å; H102-R356 PolarHBondContact O-NH2 3.04Å
103D97.6Very high95.6Very high5 Ų524.9 Ų24.93%0.02712%0.118CC..EExtended strand (participates in β ladder)trans-143.2164.3164.959.559000109.5W105 H106 I107 I157 L158 R356D103-W105 PolarHBondContact O-N 3.23Å; D103-W105 WeakPolarHBondContact OD1-CA 2.88Å; D103-W105 VanDerWaalsContact OD1-CB 3.29Å; D103-W105 WeakPolarHBondContact OD1-CB 3.37Å; D103-W105 PolarHBondContact OD1-N 2.86Å; D103-H106 PolarHBondContact O-N 3.25Å; D103-H106 IonicContact OD1-CG 3.46Å; D103-H106 PolarHBondContact OD1-N 2.96Å; D103-H106 IonicContact OD1-ND1 3.77Å; D103-H106 PolarHBondContact OD1-ND1 3.33Å; D103-H106 IonicContact OD2-CE1 3.82Å; D103-H106 IonicContact OD2-ND1 3.69Å; D103-H106 PolarHBondContact OD2-ND1 3.21Å; D103-I107 WeakPolarHBondContact O-CG1 3.34Å; D103-I107 PolarHBondContact O-N 2.9Å; D103-I107 VanDerWaalsContact O-N 3.1Å; D103-I157 CarbonylContact C-O 3.58Å; D103-I157 VanDerWaalsContact CA-O 3.3Å; D103-I157 WeakPolarHBondContact CA-O 3.34Å; D103-I157 WeakPolarHBondContact CB-O 3.32Å; D103-L158 HydrophobicContact CB-CD2 3.92Å; D103-R356 IonicContact OD2-CZ 3.09Å; D103-R356 IonicContact OD2-NH1 2.84Å; D103-R356 PolarHBondContact OD2-NH1 3.31Å; D103-R356 IonicContact OD2-NH2 3.18Å; D103-R356 PolarHBondContact OD2-NH2 3.45Å
104L98.1Very high95Very high0 Ų025.8 Ų25.80%012%0.124CC..Hα-helixtrans-64.7-29.2-178.4-69.8-168.8000113I107 I108 L131 I135 P154 I157 V159 I223 L227L104-I107 HydrophobicContact CD2-CD1 4.27Å; L104-I107 PolarHBondContact O-N 3.35Å; L104-I108 HydrophobicContact CB-CD1 4.15Å; L104-I108 VanDerWaalsContact O-CB 3.23Å; L104-I108 WeakPolarHBondContact O-CB 3.47Å; L104-I108 VanDerWaalsContact O-CD1 3.28Å; L104-I108 WeakPolarHBondContact O-CD1 3.47Å; L104-I108 WeakPolarHBondContact O-CG1 3.19Å; L104-I108 PolarHBondContact O-N 3.06Å; L104-L131 HydrophobicContact CD2-CD1 3.72Å; L104-L131 HydrophobicContact CD2-CD2 3.76Å; L104-L131 HydrophobicContact CD2-CG 4.33Å; L104-I135 HydrophobicContact CD1-CD1 3.93Å; L104-P154 HydrophobicContact CB-CB 3.82Å; L104-P154 WeakPolarHBondContact CB-O 3.49Å; L104-P154 PolarHBondContact N-O 3.18Å; L104-I157 HydrophobicContact CB-CB 4.33Å; L104-I157 HydrophobicContact CD1-CB 3.75Å; L104-I157 HydrophobicContact CD1-CG1 4.18Å; L104-I157 HydrophobicContact CD1-CG2 3.58Å; L104-I157 HydrophobicContact CG-CB 3.81Å; L104-I157 HydrophobicContact CG-CG2 3.71Å; L104-I157 PolarHBondContact N-O 3.41Å; L104-V159 HydrophobicContact CD2-CG2 4.23Å; L104-I223 HydrophobicContact CD1-CG2 3.75Å; L104-L227 HydrophobicContact CD1-CD1 4.27Å; L104-L227 HydrophobicContact CD1-CD2 4.23Å; L104-L227 HydrophobicContact CD2-CD2 4.08Å
105W95.2Very high94.1Very high55 Ų5529.8 Ų29.821%0.20814%0.142CC..Hα-helixtrans-61.8-49.2178.2-17791.4000111.2D103 K109 P154 A155 H376D103-W105 PolarHBondContact O-N 3.23Å; D103-W105 WeakPolarHBondContact OD1-CA 2.88Å; D103-W105 VanDerWaalsContact OD1-CB 3.29Å; D103-W105 WeakPolarHBondContact OD1-CB 3.37Å; D103-W105 PolarHBondContact OD1-N 2.86Å; W105-K109 HydrophobicContact CE3-CD 4.39Å; W105-K109 HydrophobicContact CH2-CD 3.7Å; W105-K109 HydrophobicContact CZ2-CD 4.17Å; W105-K109 HydrophobicContact CZ3-CD 3.8Å; W105-K109 VanDerWaalsContact O-CB 3.24Å; W105-K109 WeakPolarHBondContact O-CB 3.38Å; W105-K109 PolarHBondContact O-N 3.03Å; W105-P154 HydrophobicContact CB-CB 4.06Å; W105-P154 PolarHBondContact N-O 2.99Å; W105-A155 HydrophobicContact CB-CB 4.23Å; W105-H376 AromaticContact NE1-CE1 3.39Å; W105-H376 PolarHBondContact NE1-CE1 2.85Å; W105-H376 AromaticContact NE1-ND1 3.88Å
106H95.6Very high93.2Very high83 Ų8332.7 Ų32.738%0.38417%0.166SC..Hα-helixtrans-66.7-41.2177.7-71.591.6000112.2D103 K109 F110D103-H106 PolarHBondContact O-N 3.25Å; D103-H106 IonicContact OD1-CG 3.46Å; D103-H106 PolarHBondContact OD1-N 2.96Å; D103-H106 IonicContact OD1-ND1 3.77Å; D103-H106 PolarHBondContact OD1-ND1 3.33Å; D103-H106 IonicContact OD2-CE1 3.82Å; D103-H106 IonicContact OD2-ND1 3.69Å; D103-H106 PolarHBondContact OD2-ND1 3.21Å; H106-K109 PolarHBondContact O-N 3.3Å; H106-F110 WeakPolarHBondContact O-CB 3.44Å; H106-F110 PolarHBondContact O-N 3.06Å
107I96.8Very high92.3Very high1 Ų138 Ų381%0.00520%0.195CC..Hα-helixtrans-60.9-50.3176.8-70.4167.9000110.4H102 D103 L104 K109 F110 H111 L123 M127 V159 Y353H102-I107 HydrophobicContact CB-CD1 4.08Å; H102-I107 HydrophobicContact CB-CG1 4.43Å; D103-I107 WeakPolarHBondContact O-CG1 3.34Å; D103-I107 PolarHBondContact O-N 2.9Å; D103-I107 VanDerWaalsContact O-N 3.1Å; L104-I107 HydrophobicContact CD2-CD1 4.27Å; L104-I107 PolarHBondContact O-N 3.35Å; I107-K109 VanDerWaalsContact C-N 3.35Å; I107-K109 PolarHBondContact O-N 2.96Å; I107-F110 WeakPolarHBondContact O-CB 3.23Å; I107-F110 PolarHBondContact O-N 2.85Å; I107-H111 PolarHBondContact O-CD2 3.38Å; I107-H111 VanDerWaalsContact O-CD2 3.24Å; I107-H111 PolarHBondContact O-N 3.21Å; I107-L123 HydrophobicContact CG2-CD2 4.1Å; I107-M127 HydrophobicContact CD1-CE 4.12Å; I107-M127 HydrophobicContact CG2-CE 3.94Å; I107-V159 HydrophobicContact CD1-CB 4.38Å; I107-V159 HydrophobicContact CD1-CG2 4.07Å; I107-Y353 HydrophobicContact CB-CE1 4.34Å; I107-Y353 HydrophobicContact CD1-CD2 4.4Å; I107-Y353 HydrophobicContact CD1-CE2 4.39Å; I107-Y353 HydrophobicContact CG1-CD1 4.13Å; I107-Y353 HydrophobicContact CG1-CD2 3.98Å; I107-Y353 HydrophobicContact CG1-CE1 4.23Å; I107-Y353 HydrophobicContact CG1-CE2 4.14Å; I107-Y353 HydrophobicContact CG1-CG 4.02Å; I107-Y353 HydrophobicContact CG2-CE1 3.85Å; I107-Y353 HydrophobicContact CG2-CE2 4.43Å
108I95.7Very high91Very high2 Ų246.3 Ų46.31%0.0123%0.23CC..Hα-helixtrans-62.5-43.3179.1-70.2160.3000110.5L104 F110 H111 R112 P154 E226 L227L104-I108 HydrophobicContact CB-CD1 4.15Å; L104-I108 VanDerWaalsContact O-CB 3.23Å; L104-I108 WeakPolarHBondContact O-CB 3.47Å; L104-I108 VanDerWaalsContact O-CD1 3.28Å; L104-I108 WeakPolarHBondContact O-CD1 3.47Å; L104-I108 WeakPolarHBondContact O-CG1 3.19Å; L104-I108 PolarHBondContact O-N 3.06Å; I108-F110 VanDerWaalsContact C-N 3.33Å; I108-F110 PolarHBondContact O-N 2.92Å; I108-H111 PolarHBondContact O-N 2.68Å; I108-R112 WeakPolarHBondContact O-CB 3.47Å; I108-R112 PolarHBondContact O-N 3.4Å; I108-P154 HydrophobicContact CD1-CB 4.09Å; I108-P154 HydrophobicContact CD1-CG 4.12Å; I108-E226 HydrophobicContact CD1-CB 4.5Å; I108-E226 HydrophobicContact CD1-CG 3.91Å; I108-E226 HydrophobicContact CG2-CG 3.9Å; I108-L227 HydrophobicContact CD1-CD2 4.01Å; I108-L227 HydrophobicContact CD1-CG 4.5Å; I108-L227 HydrophobicContact CG1-CD2 4Å
109K93.2Very high89.7Confident80 Ų8052.6 Ų52.635%0.34826%0.256SS..Hα-helixtrans-58.9-42.7177.4-175.8177.9179-177.80111.9W105 H106 I107 H111 R112 A113W105-K109 HydrophobicContact CE3-CD 4.39Å; W105-K109 HydrophobicContact CH2-CD 3.7Å; W105-K109 HydrophobicContact CZ2-CD 4.17Å; W105-K109 HydrophobicContact CZ3-CD 3.8Å; W105-K109 VanDerWaalsContact O-CB 3.24Å; W105-K109 WeakPolarHBondContact O-CB 3.38Å; W105-K109 PolarHBondContact O-N 3.03Å; H106-K109 PolarHBondContact O-N 3.3Å; I107-K109 VanDerWaalsContact C-N 3.35Å; I107-K109 PolarHBondContact O-N 2.96Å; K109-H111 PolarHBondContact O-N 3.4Å; K109-R112 PolarHBondContact O-N 3.32Å; K109-A113 WeakPolarHBondContact O-CB 3.47Å; K109-A113 PolarHBondContact O-N 3.06Å
110F93.2Very high88.1Confident59 Ų5956.8 Ų56.826%0.25929%0.285SS..Hα-helixtrans-60.2-43.8176.9175.7-98.5000112.5H106 I107 I108 S114 M121 P352 Y353H106-F110 WeakPolarHBondContact O-CB 3.44Å; H106-F110 PolarHBondContact O-N 3.06Å; I107-F110 WeakPolarHBondContact O-CB 3.23Å; I107-F110 PolarHBondContact O-N 2.85Å; I108-F110 VanDerWaalsContact C-N 3.33Å; I108-F110 PolarHBondContact O-N 2.92Å; F110-S114 PolarHBondContact O-N 2.76Å; F110-S114 VanDerWaalsContact O-N 3.15Å; F110-S114 PolarHBondContact O-OG 3.32Å; F110-M121 HydrophobicContact CD1-CE 4.11Å; F110-M121 HydrophobicContact CE1-CE 3.27Å; F110-M121 HydrophobicContact CZ-CE 3.9Å; F110-P352 HydrophobicContact CE1-CB 4.26Å; F110-P352 HydrophobicContact CE1-CG 4.24Å; F110-P352 HydrophobicContact CZ-CB 4.23Å; F110-Y353 HydrophobicContact CB-CD1 4.25Å; F110-Y353 AromaticContact CD1-CD1 3.59Å; F110-Y353 HydrophobicContact CD1-CD1 3.59Å; F110-Y353 AromaticContact CD1-CE1 3.61Å; F110-Y353 HydrophobicContact CD1-CE1 3.61Å; F110-Y353 HydrophobicContact CE1-CD1 4.01Å; F110-Y353 HydrophobicContact CE1-CE1 4.03Å; F110-Y353 AromaticContact CG-CD1 3.99Å; F110-Y353 HydrophobicContact CG-CD1 3.99Å; F110-Y353 HydrophobicContact CG-CE1 4.39Å
111H91.3Very high86.9Confident2 Ų260.3 Ų60.31%0.00930%0.302CS..Hα-helixtrans-71.8-37.3176.8-75.1-80.6000112.6I107 I108 K109 S114 K115 M121 L123 Y353I107-H111 PolarHBondContact O-CD2 3.38Å; I107-H111 VanDerWaalsContact O-CD2 3.24Å; I107-H111 PolarHBondContact O-N 3.21Å; I108-H111 PolarHBondContact O-N 2.68Å; K109-H111 PolarHBondContact O-N 3.4Å; H111-S114 PolarHBondContact O-N 2.92Å; H111-K115 PolarHBondContact O-N 3.45Å; H111-K115 VanDerWaalsContact O-N 3.08Å; H111-M121 PolarHBondContact ND1-O 2.8Å; H111-L123 HydrophobicContact CB-CD1 3.55Å; H111-L123 WeakPolarHBondContact CD2-CD1 3.02Å; H111-Y353 AromaticContact CD2-CE1 3.83Å; H111-Y353 AromaticContact NE2-CE1 3.41Å; H111-Y353 WeakPolarHBondContact NE2-CE1 3.36Å; H111-Y353 AromaticContact NE2-CZ 3.66Å; H111-Y353 PolarHBondContact NE2-OH 3.08Å
112R89.8Confident85.9Confident70 Ų7065.1 Ų65.126%0.26433%0.325SS..Hα-helixtrans-60.4-47.1174-173.7-177-63.3166.311.1111.6I108 K109 S114 K115 A116 E226 S230 P232I108-R112 WeakPolarHBondContact O-CB 3.47Å; I108-R112 PolarHBondContact O-N 3.4Å; K109-R112 PolarHBondContact O-N 3.32Å; R112-S114 VanDerWaalsContact C-N 3.34Å; R112-S114 PolarHBondContact O-N 3.2Å; R112-K115 WeakPolarHBondContact O-CB 3.17Å; R112-K115 PolarHBondContact O-N 2.72Å; R112-A116 PolarHBondContact O-N 2.88Å; R112-A116 VanDerWaalsContact O-N 3.14Å; R112-E226 IonicContact NH2-OE1 3.01Å; R112-E226 PolarHBondContact NH2-OE1 3.2Å; R112-S230 VanDerWaalsContact CZ-O 3.31Å; R112-S230 PolarHBondContact NE-O 2.76Å; R112-S230 PolarHBondContact NH2-O 2.81Å; R112-P232 VanDerWaalsContact NH2-CD 3.28Å
113A87.7Confident85.4Confident44 Ų4465.1 Ų65.136%0.36433%0.325SS..Hα-helixtrans-62.2-40.4176.800000112.1K109 K115 A116 N117K109-A113 WeakPolarHBondContact O-CB 3.47Å; K109-A113 PolarHBondContact O-N 3.06Å; A113-K115 VanDerWaalsContact C-N 3.34Å; A113-K115 PolarHBondContact O-N 2.87Å; A113-A116 PolarHBondContact O-N 2.84Å; A113-N117 PolarHBondContact O-N 2.83Å; A113-N117 PolarHBondContact O-ND2 3.09Å
114S81.9Confident85.2Confident23 Ų2368.6 Ų68.616%0.16135%0.347CS..Hα-helixtrans-61.8-40.9177.1-58.90000112.4F110 H111 R112 N117 K119F110-S114 PolarHBondContact O-N 2.76Å; F110-S114 VanDerWaalsContact O-N 3.15Å; F110-S114 PolarHBondContact O-OG 3.32Å; H111-S114 PolarHBondContact O-N 2.92Å; R112-S114 VanDerWaalsContact C-N 3.34Å; R112-S114 PolarHBondContact O-N 3.2Å; S114-N117 PolarHBondContact O-N 2.79Å; S114-K119 CarbonylContact C-O 3.54Å; S114-K119 CarbonylContact O-C 3.38Å; S114-K119 PolarHBondContact O-N 2.83Å; S114-K119 VanDerWaalsContact O-O 3.06Å
115K77.6Confident85Confident96 Ų9677.9 Ų77.942%0.41738%0.383SS..Hα-helixtrans-62-42.8174.4-173.4-175.4178.2-172.60111.8H111 R112 A113 N117 K118 E231H111-K115 PolarHBondContact O-N 3.45Å; H111-K115 VanDerWaalsContact O-N 3.08Å; R112-K115 WeakPolarHBondContact O-CB 3.17Å; R112-K115 PolarHBondContact O-N 2.72Å; A113-K115 VanDerWaalsContact C-N 3.34Å; A113-K115 PolarHBondContact O-N 2.87Å; K115-N117 VanDerWaalsContact C-N 3.31Å; K115-N117 PolarHBondContact O-N 2.67Å; K115-K118 PolarHBondContact O-N 2.81Å; K115-E231 IonicContact NZ-OE1 3.84Å; K115-E231 PolarHBondContact NZ-OE1 2.84Å
116A78.2Confident85.1Confident60 Ų6076.2 Ų76.250%0.49638%0.382SS..Hα-helixtrans-63.4-36.4177.300000112.3R112 A113 K118R112-A116 PolarHBondContact O-N 2.88Å; R112-A116 VanDerWaalsContact O-N 3.14Å; A113-A116 PolarHBondContact O-N 2.84Å; A116-K118 PolarHBondContact O-N 3.05Å; A116-K118 VanDerWaalsContact O-N 3.14Å
117N78.5Confident85.2Confident122 Ų12272.8 Ų72.865%0.65237%0.366SS*.THydrogen-bonded Turntrans-80.117.7178.7-68.5-23.2000114.5A113 S114 K115 K119A113-N117 PolarHBondContact O-N 2.83Å; A113-N117 PolarHBondContact O-ND2 3.09Å; S114-N117 PolarHBondContact O-N 2.79Å; K115-N117 VanDerWaalsContact C-N 3.31Å; K115-N117 PolarHBondContact O-N 2.67Å; N117-K119 PolarHBondContact O-N 2.77Å
118K71.9Confident85.3Confident187 Ų18772.9 Ų72.981%0.81337%0.367SS*.THydrogen-bonded Turntrans54.821.4-179.2-58-178.6-178.9176.70114.7K115 A116 P120K115-K118 PolarHBondContact O-N 2.81Å; A116-K118 PolarHBondContact O-N 3.05Å; A116-K118 VanDerWaalsContact O-N 3.14Å; K118-P120 VanDerWaalsContact C-CD 3.43Å; K118-P120 VanDerWaalsContact O-CD 3.27Å; K118-P120 WeakPolarHBondContact O-CD 3.25Å
119K69.9Low85.4Confident168 Ų16873 Ų7373%0.7337%0.368SS*.  trans-112.873.4168.7-69.1-174.5-179.3-178.80108.4S114 N117 M121S114-K119 CarbonylContact C-O 3.54Å; S114-K119 CarbonylContact O-C 3.38Å; S114-K119 PolarHBondContact O-N 2.83Å; S114-K119 VanDerWaalsContact O-O 3.06Å; N117-K119 PolarHBondContact O-N 2.77Å; K119-M121 PolarHBondContact O-N 3.41Å
120P63.7Low85.7Confident106 Ų10669.2 Ų69.269%0.68835%0.351SS*.  trans-65.6106.6-170.826.9-33.8000110.4K118K118-P120 VanDerWaalsContact C-CD 3.43Å; K118-P120 VanDerWaalsContact O-CD 3.27Å; K118-P120 WeakPolarHBondContact O-CD 3.25Å
121M73.8Confident86Confident81 Ų8166.4 Ų66.440%0.39934%0.339SS..  trans-114.599.1168.7-176.417258.100107.1F110 H111 K119F110-M121 HydrophobicContact CD1-CE 4.11Å; F110-M121 HydrophobicContact CE1-CE 3.27Å; F110-M121 HydrophobicContact CZ-CE 3.9Å; H111-M121 PolarHBondContact ND1-O 2.8Å; K119-M121 PolarHBondContact O-N 3.41Å
122Q77.1Confident86.3Confident114 Ų11466.4 Ų66.453%0.53334%0.339SS..PPolyproline II helixtrans-71.5156.5170-69-173.5-18.200109.6
123L87.5Confident86.8Confident10 Ų1067 Ų675%0.05234%0.342CS..PPolyproline II helixtrans-58.9135.5170.2-82.279.7000108.9I107 H111 R125 V128 L227I107-L123 HydrophobicContact CG2-CD2 4.1Å; H111-L123 HydrophobicContact CB-CD1 3.55Å; H111-L123 WeakPolarHBondContact CD2-CD1 3.02Å; L123-R125 PolarHBondContact O-N 3.4Å; L123-V128 HydrophobicContact CB-CG2 3.59Å; L123-V128 HydrophobicContact CD2-CG2 4.11Å; L123-L227 HydrophobicContact CD2-CD2 3.57Å
124P92.7Very high87.3Confident77 Ų7765.3 Ų65.350%0.533%0.327SS..PPolyproline II helixtrans-54.5132.8173.5-25.534.4000110.9G126 M127 V128P124-G126 VanDerWaalsContact C-N 3.26Å; P124-G126 PolarHBondContact O-N 2.66Å; P124-M127 HydrophobicContact CB-CB 4.07Å; P124-M127 HydrophobicContact CG-CB 4.48Å; P124-M127 WeakPolarHBondContact O-CA 3.05Å; P124-M127 WeakPolarHBondContact O-CB 3.38Å; P124-M127 PolarHBondContact O-N 2.9Å; P124-V128 PolarHBondContact O-N 3.16Å
125R93.6Very high88.1Confident196 Ų19664.3 Ų64.374%0.7432%0.319SS*.Hα-helixtrans-59.6-36.5-176-67.1-176.2179.4177.40.2113L123 V128 K129L123-R125 PolarHBondContact O-N 3.4Å; R125-V128 PolarHBondContact O-N 3.3Å; R125-K129 PolarHBondContact O-N 2.92Å
126G97.1Very high89.1Confident20 Ų2059.7 Ų59.721%0.20630%0.299CS..Hα-helixtrans-62.2-44.1173.700000112.1P124 V128 K129 S130P124-G126 VanDerWaalsContact C-N 3.26Å; P124-G126 PolarHBondContact O-N 2.66Å; G126-V128 PolarHBondContact O-N 3.17Å; G126-K129 WeakPolarHBondContact O-CB 3.5Å; G126-K129 PolarHBondContact O-N 3.17Å; G126-S130 PolarHBondContact O-N 2.9Å; G126-S130 PolarHBondContact O-OG 3.17Å; G126-S130 VanDerWaalsContact O-OG 3.06Å
127M98.1Very high90.1Very high10 Ų1059 Ų595%0.04929%0.287CS..Hα-helixtrans-60.8-46.3175.5179.5179.5176.600111.7I107 P124 K129 S130 L131 V345 F346 Y353I107-M127 HydrophobicContact CD1-CE 4.12Å; I107-M127 HydrophobicContact CG2-CE 3.94Å; P124-M127 HydrophobicContact CB-CB 4.07Å; P124-M127 HydrophobicContact CG-CB 4.48Å; P124-M127 WeakPolarHBondContact O-CA 3.05Å; P124-M127 WeakPolarHBondContact O-CB 3.38Å; P124-M127 PolarHBondContact O-N 2.9Å; M127-K129 VanDerWaalsContact C-N 3.28Å; M127-K129 PolarHBondContact O-N 2.81Å; M127-S130 PolarHBondContact O-N 3.49Å; M127-L131 HydrophobicContact CE-CD1 3.96Å; M127-L131 HydrophobicContact CG-CD1 3.92Å; M127-L131 HydrophobicContact CG-CG 4.31Å; M127-L131 WeakPolarHBondContact O-CB 3.45Å; M127-L131 VanDerWaalsContact O-CG 3.23Å; M127-L131 WeakPolarHBondContact O-CG 3.26Å; M127-L131 PolarHBondContact O-N 2.9Å; M127-V345 WeakPolarHBondContact CA-O 3.35Å; M127-V345 VanDerWaalsContact CB-O 3.29Å; M127-V345 WeakPolarHBondContact CB-O 3.3Å; M127-V345 HydrophobicContact CE-CG2 4.42Å; M127-V345 HydrophobicContact CG-CB 4.29Å; M127-V345 HydrophobicContact CG-CG2 4.46Å; M127-V345 VanDerWaalsContact CG-O 3.31Å; M127-V345 WeakPolarHBondContact CG-O 3.27Å; M127-F346 HydrophobicContact CE-CD1 3.96Å; M127-F346 HydrophobicContact CE-CE1 3.63Å; M127-F346 HydrophobicContact SD-CD1 4.23Å; M127-F346 HydrophobicContact SD-CE1 4.49Å; M127-Y353 HydrophobicContact CE-CE2 3.88Å; M127-Y353 WeakPolarHBondContact CE-OH 3.5Å; M127-Y353 PolarHBondContact SD-OH 3.43Å
128V98.3Very high91.1Very high4 Ų453.2 Ų53.22%0.02426%0.256CS..Hα-helixtrans-58.2-43176.71760000111.2L123 P124 R125 G126 L132 F224 L227 L228L123-V128 HydrophobicContact CB-CG2 3.59Å; L123-V128 HydrophobicContact CD2-CG2 4.11Å; P124-V128 PolarHBondContact O-N 3.16Å; R125-V128 PolarHBondContact O-N 3.3Å; G126-V128 PolarHBondContact O-N 3.17Å; V128-L132 PolarHBondContact O-N 3.14Å; V128-F224 HydrophobicContact CG1-CD2 4.04Å; V128-F224 HydrophobicContact CG1-CE2 3.8Å; V128-L227 HydrophobicContact CG1-CB 3.88Å; V128-L227 HydrophobicContact CG1-CD1 4.47Å; V128-L227 HydrophobicContact CG2-CB 4.24Å; V128-L228 HydrophobicContact CG1-CD2 4.01Å; V128-L228 HydrophobicContact CG1-CG 4.43Å
129K98.7Very high92.3Very high4 Ų444.3 Ų44.32%0.01722%0.218CC..Hα-helixtrans-63.2-50177.7-172-179.5-66.1-173.40111.8R125 G126 M127 L131 L132 Y133 Y334 F335 E337 P339 P341R125-K129 PolarHBondContact O-N 2.92Å; G126-K129 WeakPolarHBondContact O-CB 3.5Å; G126-K129 PolarHBondContact O-N 3.17Å; M127-K129 VanDerWaalsContact C-N 3.28Å; M127-K129 PolarHBondContact O-N 2.81Å; K129-L131 VanDerWaalsContact C-N 3.33Å; K129-L131 PolarHBondContact O-N 3.41Å; K129-L132 PolarHBondContact O-N 3.42Å; K129-Y133 WeakPolarHBondContact O-CB 3.27Å; K129-Y133 PolarHBondContact O-N 3.17Å; K129-Y334 HydrophobicContact CB-CE1 4.13Å; K129-Y334 WeakPolarHBondContact CB-OH 3.34Å; K129-Y334 HydrophobicContact CD-CE1 4.41Å; K129-Y334 HydrophobicContact CD-CE2 4.37Å; K129-Y334 VanDerWaalsContact CE-CZ 3.5Å; K129-Y334 VanDerWaalsContact CE-O 3.27Å; K129-Y334 WeakPolarHBondContact CE-O 3.44Å; K129-Y334 HydrophobicContact CG-CD1 4.34Å; K129-Y334 HydrophobicContact CG-CE1 3.69Å; K129-Y334 HydrophobicContact CG-CE2 4.38Å; K129-Y334 PolarHBondContact NZ-O 3.02Å; K129-F335 HydrophobicContact CD-CD1 4.2Å; K129-F335 HydrophobicContact CG-CD1 3.68Å; K129-F335 HydrophobicContact CG-CE1 3.89Å; K129-E337 PolarHBondContact NZ-O 2.92Å; K129-P339 WeakPolarHBondContact CD-O 3.46Å; K129-P339 VanDerWaalsContact CE-O 3.3Å; K129-P339 WeakPolarHBondContact CE-O 3.41Å; K129-P339 PolarHBondContact NZ-O 3.48Å; K129-P341 HydrophobicContact CD-CG 4.03Å; K129-P341 HydrophobicContact CG-CG 4.06Å
130S98.8Very high93.7Very high0 Ų038.5 Ų38.50%019%0.193CC..Hα-helixtrans-61-41.2178.8-58.40000111.9G126 M127 Y133 Q134 T342G126-S130 PolarHBondContact O-N 2.9Å; G126-S130 PolarHBondContact O-OG 3.17Å; G126-S130 VanDerWaalsContact O-OG 3.06Å; M127-S130 PolarHBondContact O-N 3.49Å; S130-Y133 PolarHBondContact O-N 2.86Å; S130-Q134 WeakPolarHBondContact O-CB 3.22Å; S130-Q134 WeakPolarHBondContact O-CG 3.32Å; S130-Q134 PolarHBondContact O-N 3.44Å; S130-T342 WeakPolarHBondContact CB-O 3.08Å; S130-T342 PolarHBondContact OG-N 2.86Å; S130-T342 PolarHBondContact OG-OG1 3.42Å
131L98.9Very high95.4Very high0 Ų035.5 Ų35.50%017%0.168CC..Hα-helixtrans-59.8-53.1174.1-75.9170.2000111.2L104 M127 K129 Y133 Q134 I135 V159 V169 L227 V345L104-L131 HydrophobicContact CD2-CD1 3.72Å; L104-L131 HydrophobicContact CD2-CD2 3.76Å; L104-L131 HydrophobicContact CD2-CG 4.33Å; M127-L131 HydrophobicContact CE-CD1 3.96Å; M127-L131 HydrophobicContact CG-CD1 3.92Å; M127-L131 HydrophobicContact CG-CG 4.31Å; M127-L131 WeakPolarHBondContact O-CB 3.45Å; M127-L131 VanDerWaalsContact O-CG 3.23Å; M127-L131 WeakPolarHBondContact O-CG 3.26Å; M127-L131 PolarHBondContact O-N 2.9Å; K129-L131 VanDerWaalsContact C-N 3.33Å; K129-L131 PolarHBondContact O-N 3.41Å; L131-Y133 VanDerWaalsContact C-N 3.33Å; L131-Y133 PolarHBondContact O-N 3.25Å; L131-Q134 PolarHBondContact O-N 2.94Å; L131-I135 WeakPolarHBondContact O-CD1 3.27Å; L131-I135 WeakPolarHBondContact O-CG1 3.23Å; L131-I135 PolarHBondContact O-N 3.44Å; L131-V159 HydrophobicContact CD2-CG2 3.92Å; L131-V169 HydrophobicContact CD2-CG2 3.66Å; L131-L227 HydrophobicContact CB-CD1 4.2Å; L131-L227 HydrophobicContact CD1-CD1 4.29Å; L131-L227 HydrophobicContact CD1-CD2 3.92Å; L131-V345 HydrophobicContact CD2-CB 4.2Å; L131-V345 HydrophobicContact CD2-CG1 3.91Å; L131-V345 HydrophobicContact CD2-CG2 4.08Å; L131-V345 HydrophobicContact CG-CB 4.21Å; L131-V345 HydrophobicContact CG-CG1 4.11Å; L131-V345 HydrophobicContact CG-CG2 4.46Å
132L98.9Very high96.5Very high2 Ų231.7 Ų31.71%0.0115%0.149CC..Hα-helixtrans-59.5-44.9179.8-179.864.5000111.6V128 K129 Q134 I135 L136 I220 F224 L311 Y334 F335V128-L132 PolarHBondContact O-N 3.14Å; K129-L132 PolarHBondContact O-N 3.42Å; L132-Q134 PolarHBondContact O-N 3.23Å; L132-I135 PolarHBondContact O-N 3.27Å; L132-L136 HydrophobicContact CD1-CD1 4.14Å; L132-L136 HydrophobicContact CD1-CG 4.21Å; L132-L136 HydrophobicContact CD2-CD1 4.44Å; L132-L136 HydrophobicContact CG-CD1 3.89Å; L132-L136 HydrophobicContact CG-CG 4.39Å; L132-L136 WeakPolarHBondContact O-CB 3.48Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 3.13Å; L132-I220 HydrophobicContact CD1-CG2 3.62Å; L132-F224 HydrophobicContact CB-CD2 4.44Å; L132-F224 HydrophobicContact CD1-CB 4.04Å; L132-F224 HydrophobicContact CD1-CD2 4.45Å; L132-F224 HydrophobicContact CD1-CG 4.13Å; L132-F224 HydrophobicContact CD2-CD1 3.75Å; L132-F224 HydrophobicContact CD2-CD2 3.79Å; L132-F224 HydrophobicContact CD2-CE1 3.67Å; L132-F224 HydrophobicContact CD2-CE2 3.72Å; L132-F224 HydrophobicContact CD2-CG 3.8Å; L132-F224 HydrophobicContact CD2-CZ 3.65Å; L132-F224 HydrophobicContact CG-CD2 4.44Å; L132-F224 HydrophobicContact CG-CG 4.48Å; L132-L311 HydrophobicContact CD2-CD2 3.76Å; L132-Y334 HydrophobicContact CD2-CD1 4.48Å; L132-Y334 HydrophobicContact CD2-CE1 4.14Å; L132-F335 HydrophobicContact CB-CZ 4.44Å; L132-F335 HydrophobicContact CD2-CE1 4.34Å; L132-F335 HydrophobicContact CD2-CZ 3.82Å; L132-F335 HydrophobicContact CG-CE1 4.47Å; L132-F335 HydrophobicContact CG-CZ 3.94Å
133Y98.9Very high97.4Very high82 Ų8226.4 Ų26.432%0.32213%0.125SC..Hα-helixtrans-58-50.4179.4-172.6-88000111.3K129 S130 L131 I135 L136 D137 L330 F335 P341K129-Y133 WeakPolarHBondContact O-CB 3.27Å; K129-Y133 PolarHBondContact O-N 3.17Å; S130-Y133 PolarHBondContact O-N 2.86Å; L131-Y133 VanDerWaalsContact C-N 3.33Å; L131-Y133 PolarHBondContact O-N 3.25Å; Y133-I135 PolarHBondContact O-N 2.96Å; Y133-L136 PolarHBondContact O-N 3.11Å; Y133-D137 WeakPolarHBondContact O-CB 3.12Å; Y133-D137 PolarHBondContact O-N 3.1Å; Y133-L330 HydrophobicContact CD2-CD2 3.84Å; Y133-L330 HydrophobicContact CE1-CD2 4.35Å; Y133-L330 HydrophobicContact CE2-CD2 3.69Å; Y133-L330 HydrophobicContact CG-CD2 4.27Å; Y133-F335 HydrophobicContact CD2-CB 4.2Å; Y133-F335 AromaticContact CD2-CD1 3.69Å; Y133-F335 HydrophobicContact CD2-CD1 3.69Å; Y133-F335 AromaticContact CD2-CD2 3.99Å; Y133-F335 HydrophobicContact CD2-CD2 3.99Å; Y133-F335 AromaticContact CD2-CE1 3.97Å; Y133-F335 HydrophobicContact CD2-CE1 3.97Å; Y133-F335 HydrophobicContact CD2-CE2 4.25Å; Y133-F335 AromaticContact CD2-CG 3.69Å; Y133-F335 HydrophobicContact CD2-CG 3.69Å; Y133-F335 HydrophobicContact CD2-CZ 4.25Å; Y133-F335 HydrophobicContact CE2-CB 4.45Å; Y133-F335 HydrophobicContact CE2-CG 4.32Å; Y133-F335 HydrophobicContact CG-CD1 4.36Å; Y133-F335 HydrophobicContact CG-CE1 4.37Å; Y133-P341 HydrophobicContact CD1-CB 4.36Å; Y133-P341 HydrophobicContact CD2-CB 4.33Å; Y133-P341 HydrophobicContact CD2-CG 3.94Å; Y133-P341 HydrophobicContact CG-CB 3.96Å; Y133-P341 HydrophobicContact CG-CG 4.06Å
134Q98.9Very high97.8Very high10 Ų1029.2 Ų29.25%0.04714%0.142CC..Hα-helixtrans-69.1-30.5-179.1-70-172.845.300113.4N77 S130 L131 L132 G138 V169 T342 T343N77-Q134 WeakPolarHBondContact CB-O 3.32Å; N77-Q134 PolarHBondContact ND2-OE1 3.01Å; S130-Q134 WeakPolarHBondContact O-CB 3.22Å; S130-Q134 WeakPolarHBondContact O-CG 3.32Å; S130-Q134 PolarHBondContact O-N 3.44Å; L131-Q134 PolarHBondContact O-N 2.94Å; L132-Q134 PolarHBondContact O-N 3.23Å; Q134-G138 PolarHBondContact O-N 3.21Å; Q134-V169 HydrophobicContact CB-CB 3.79Å; Q134-V169 HydrophobicContact CB-CG2 3.76Å; Q134-T342 PolarHBondContact NE2-O 3.11Å; Q134-T343 PolarHBondContact NE2-O 2.82Å
135I98.9Very high97.9Very high1 Ų128.9 Ų28.91%0.00514%0.136CC..Hα-helixtrans-65.7-45170.9-66.2161.8000110.2L104 L131 L132 Y133 D137 G138 I139 I157 V169 I220 I223L104-I135 HydrophobicContact CD1-CD1 3.93Å; L131-I135 WeakPolarHBondContact O-CD1 3.27Å; L131-I135 WeakPolarHBondContact O-CG1 3.23Å; L131-I135 PolarHBondContact O-N 3.44Å; L132-I135 PolarHBondContact O-N 3.27Å; Y133-I135 PolarHBondContact O-N 2.96Å; I135-D137 VanDerWaalsContact C-N 3.35Å; I135-G138 PolarHBondContact O-N 3.13Å; I135-I139 PolarHBondContact O-N 3.29Å; I135-I157 HydrophobicContact CD1-CG1 4.49Å; I135-I157 HydrophobicContact CD1-CG2 3.92Å; I135-I157 HydrophobicContact CG1-CD1 4.39Å; I135-I157 HydrophobicContact CG1-CG2 3.8Å; I135-I157 HydrophobicContact CG2-CD1 4.43Å; I135-V169 HydrophobicContact CG1-CG1 4.05Å; I135-I220 HydrophobicContact CG2-CD1 3.94Å; I135-I220 HydrophobicContact CG2-CG1 3.81Å; I135-I220 HydrophobicContact CG2-CG2 4.27Å; I135-I223 HydrophobicContact CD1-CG2 4.29Å
136L98.9Very high97.8Very high0 Ų026.1 Ų26.10%013%0.126CC..Hα-helixtrans-65-38.2177.5-73.9169.9000112L132 Y133 I139 H140 I220 L315 A329 L330 F335L132-L136 HydrophobicContact CD1-CD1 4.14Å; L132-L136 HydrophobicContact CD1-CG 4.21Å; L132-L136 HydrophobicContact CD2-CD1 4.44Å; L132-L136 HydrophobicContact CG-CD1 3.89Å; L132-L136 HydrophobicContact CG-CG 4.39Å; L132-L136 WeakPolarHBondContact O-CB 3.48Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 3.13Å; Y133-L136 PolarHBondContact O-N 3.11Å; L136-I139 WeakPolarHBondContact O-CG2 3.37Å; L136-H140 WeakPolarHBondContact O-CB 3.44Å; L136-H140 PolarHBondContact O-N 2.82Å; L136-I220 HydrophobicContact CD2-CD1 4.31Å; L136-I220 HydrophobicContact CD2-CG2 4.06Å; L136-I220 HydrophobicContact CG-CG2 4.45Å; L136-L315 HydrophobicContact CD2-CD2 4.49Å; L136-A329 HydrophobicContact CD1-CB 3.79Å; L136-A329 HydrophobicContact CD2-CB 3.92Å; L136-L330 HydrophobicContact CB-CD2 3.7Å; L136-L330 HydrophobicContact CB-CG 3.91Å; L136-F335 HydrophobicContact CD1-CE2 3.79Å; L136-F335 HydrophobicContact CD1-CZ 3.74Å
137D98.9Very high97.6Very high46 Ų4625.2 Ų25.225%0.24612%0.117CC..Hα-helixtrans-65.5-47.5177-165.927.7000111.2H75 N77 Y133 I135 I139 H140 Y141 L330H75-D137 IonicContact CE1-OD1 3.94Å; H75-D137 IonicContact CE1-OD2 3.3Å; H75-D137 PolarHBondContact CE1-OD2 2.95Å; H75-D137 IonicContact NE2-OD1 3.97Å; H75-D137 IonicContact NE2-OD2 2.72Å; N77-D137 PolarHBondContact OD1-OD2 3.04Å; Y133-D137 WeakPolarHBondContact O-CB 3.12Å; Y133-D137 PolarHBondContact O-N 3.1Å; I135-D137 VanDerWaalsContact C-N 3.35Å; D137-I139 PolarHBondContact O-N 3.36Å; D137-H140 PolarHBondContact O-N 3.27Å; D137-Y141 PolarHBondContact O-N 2.99Å; D137-L330 HydrophobicContact CB-CD2 4.39Å
138G98.8Very high97.3Very high0 Ų025 Ų250%012%0.115CC..Hα-helixtrans-60.4-46.2174.600000113.5Q134 I135 H140 Y141 L142Q134-G138 PolarHBondContact O-N 3.21Å; I135-G138 PolarHBondContact O-N 3.13Å; G138-H140 VanDerWaalsContact C-N 3.34Å; G138-Y141 PolarHBondContact O-N 2.91Å; G138-L142 WeakPolarHBondContact O-CG 3.24Å; G138-L142 PolarHBondContact O-N 3.26Å; G138-L142 VanDerWaalsContact O-N 3.13Å
139I98.6Very high97Very high0 Ų024.8 Ų24.80%011%0.114CC..Hα-helixtrans-70.7-32.8179.5-15758.3000111.8I135 L136 D137 L142 H143 H149 L152 I171 D216 I220I135-I139 PolarHBondContact O-N 3.29Å; L136-I139 WeakPolarHBondContact O-CG2 3.37Å; D137-I139 PolarHBondContact O-N 3.36Å; I139-L142 HydrophobicContact CD1-CB 4.35Å; I139-L142 HydrophobicContact CD1-CD1 3.9Å; I139-L142 PolarHBondContact O-N 2.96Å; I139-H143 WeakPolarHBondContact O-CB 3.24Å; I139-H143 PolarHBondContact O-CD2 3.1Å; I139-H143 VanDerWaalsContact O-CG 3.24Å; I139-H143 PolarHBondContact O-N 3.31Å; I139-H149 HydrophobicContact CD1-CB 3.9Å; I139-L152 HydrophobicContact CD1-CD1 3.87Å; I139-L152 HydrophobicContact CG1-CD1 4.19Å; I139-I171 HydrophobicContact CB-CD1 4.45Å; I139-D216 HydrophobicContact CD1-CB 4.13Å; I139-D216 HydrophobicContact CG1-CB 4.08Å; I139-I220 HydrophobicContact CB-CD1 3.95Å; I139-I220 HydrophobicContact CG1-CD1 4.07Å; I139-I220 HydrophobicContact CG2-CD1 3.53Å
140H98.7Very high96.5Very high46 Ų4626 Ų2621%0.21312%0.119CC..Hα-helixtrans-60.2-48.3174.5176.370.8000110.3L136 D137 G138 L142 H143 T144 S326 L330L136-H140 WeakPolarHBondContact O-CB 3.44Å; L136-H140 PolarHBondContact O-N 2.82Å; D137-H140 PolarHBondContact O-N 3.27Å; G138-H140 VanDerWaalsContact C-N 3.34Å; H140-L142 VanDerWaalsContact C-N 3.34Å; H140-L142 PolarHBondContact O-N 3.3Å; H140-H143 PolarHBondContact O-N 2.92Å; H140-H143 VanDerWaalsContact O-N 3.17Å; H140-T144 WeakPolarHBondContact O-CG2 3.4Å; H140-T144 PolarHBondContact O-N 3.38Å; H140-T144 PolarHBondContact O-OG1 2.85Å; H140-S326 WeakPolarHBondContact CA-OG 3.36Å; H140-L330 HydrophobicContact CB-CD1 3.97Å
141Y98.6Very high96Very high43 Ų4326.6 Ų26.617%0.16912%0.122CC..Hα-helixtrans-56.6-44.4173.7173.5-97.1000112.7L73 K74 H75 V78 D137 G138 H143 T144 N145L73-Y141 HydrophobicContact CB-CE1 4.24Å; L73-Y141 HydrophobicContact CD2-CD1 4.48Å; L73-Y141 HydrophobicContact CD2-CE1 3.64Å; K74-Y141 PolarHBondContact N-OH 3.42Å; K74-Y141 PolarHBondContact O-OH 3.45Å; H75-Y141 HydrophobicContact CB-CD1 3.42Å; H75-Y141 VanDerWaalsContact CB-CD1 3.42Å; H75-Y141 HydrophobicContact CB-CD2 4.07Å; H75-Y141 HydrophobicContact CB-CE1 3.68Å; H75-Y141 HydrophobicContact CB-CE2 4.31Å; H75-Y141 HydrophobicContact CB-CG 3.62Å; H75-Y141 AromaticContact CD2-CD2 3.76Å; H75-Y141 AromaticContact CD2-CG 3.64Å; H75-Y141 AromaticContact CG-CD1 3.94Å; H75-Y141 AromaticContact CG-CG 3.67Å; V78-Y141 HydrophobicContact CG2-CD1 4.12Å; D137-Y141 PolarHBondContact O-N 2.99Å; G138-Y141 PolarHBondContact O-N 2.91Å; Y141-H143 PolarHBondContact O-N 2.96Å; Y141-T144 WeakPolarHBondContact CA-OG1 3.33Å; Y141-T144 PolarHBondContact O-N 3.31Å; Y141-T144 PolarHBondContact O-OG1 3.28Å; Y141-N145 WeakPolarHBondContact CD2-ND2 3.05Å; Y141-N145 WeakPolarHBondContact CE2-ND2 3.47Å; Y141-N145 PolarHBondContact O-N 3.46Å; Y141-N145 PolarHBondContact O-ND2 3.44Å
142L97.5Very high95.8Very high0 Ų026.9 Ų26.90%012%0.123CC..Hα-helixtrans-61.5-46.1175.9-66.1176.9000111.3L73 V78 G138 I139 H140 T144 N145 W146 V147 I171 M174L73-L142 HydrophobicContact CD1-CD2 3.67Å; L73-L142 HydrophobicContact CD2-CD2 3.92Å; L73-L142 HydrophobicContact CG-CD2 4.39Å; V78-L142 HydrophobicContact CG1-CD2 4.36Å; V78-L142 HydrophobicContact CG2-CD1 4.45Å; V78-L142 HydrophobicContact CG2-CD2 4.04Å; V78-L142 HydrophobicContact CG2-CG 4.11Å; G138-L142 WeakPolarHBondContact O-CG 3.24Å; G138-L142 PolarHBondContact O-N 3.26Å; G138-L142 VanDerWaalsContact O-N 3.13Å; I139-L142 HydrophobicContact CD1-CB 4.35Å; I139-L142 HydrophobicContact CD1-CD1 3.9Å; I139-L142 PolarHBondContact O-N 2.96Å; H140-L142 VanDerWaalsContact C-N 3.34Å; H140-L142 PolarHBondContact O-N 3.3Å; L142-T144 PolarHBondContact O-N 3.02Å; L142-N145 CarbonylContact O-C 3.6Å; L142-N145 PolarHBondContact O-N 2.95Å; L142-N145 VanDerWaalsContact O-N 3.16Å; L142-W146 PolarHBondContact O-N 3.13Å; L142-V147 CarbonylContact C-O 3.5Å; L142-V147 VanDerWaalsContact C-O 3.26Å; L142-V147 HydrophobicContact CB-CB 4.21Å; L142-V147 HydrophobicContact CD2-CB 4.31Å; L142-V147 HydrophobicContact CD2-CG1 4.23Å; L142-V147 PolarHBondContact O-N 3.12Å; L142-I171 HydrophobicContact CD1-CG2 4.44Å; L142-M174 HydrophobicContact CD1-CE 3.98Å; L142-M174 HydrophobicContact CD1-SD 4.34Å
143H96.3Very high95.6Very high4 Ų428.5 Ų28.52%0.01913%0.13CC..Hα-helixtrans-67.1-30.5-178-75.4-172.3000113.8I139 H140 Y141 V147 K213 D216I139-H143 WeakPolarHBondContact O-CB 3.24Å; I139-H143 PolarHBondContact O-CD2 3.1Å; I139-H143 VanDerWaalsContact O-CG 3.24Å; I139-H143 PolarHBondContact O-N 3.31Å; H140-H143 PolarHBondContact O-N 2.92Å; H140-H143 VanDerWaalsContact O-N 3.17Å; Y141-H143 PolarHBondContact O-N 2.96Å; H143-V147 PolarHBondContact CD2-O 3.18Å; H143-K213 HydrophobicContact CB-CD 3.93Å; H143-K213 HydrophobicContact CB-CG 4.3Å; H143-K213 PolarHBondContact CE1-O 3.02Å; H143-K213 VanDerWaalsContact O-CE 3.22Å; H143-K213 WeakPolarHBondContact O-CE 3.21Å; H143-K213 PolarHBondContact O-NZ 3.11Å; H143-D216 IonicContact CD2-OD2 3.51Å; H143-D216 IonicContact CE1-OD2 3.88Å; H143-D216 IonicContact NE2-OD2 2.7Å; H143-D216 PolarHBondContact NE2-OD2 2.82Å
144T96.6Very high95.5Very high68 Ų6824.7 Ų24.742%0.41712%0.116SC..Hα-helixtrans-75.3-29.3173.753.20000111.9H140 Y141 L142 W146H140-T144 WeakPolarHBondContact O-CG2 3.4Å; H140-T144 PolarHBondContact O-N 3.38Å; H140-T144 PolarHBondContact O-OG1 2.85Å; Y141-T144 WeakPolarHBondContact CA-OG1 3.33Å; Y141-T144 PolarHBondContact O-N 3.31Å; Y141-T144 PolarHBondContact O-OG1 3.28Å; L142-T144 PolarHBondContact O-N 3.02Å; T144-W146 PolarHBondContact O-N 3.4Å
145N94.8Very high95.2Very high71 Ų7126.2 Ų26.238%0.3813%0.13SC..THydrogen-bonded Turntrans-88.619.2173-70.5-80.5000113.6L73 Y141 L142 V147L73-N145 HydrophobicContact CD2-CB 4.35Å; Y141-N145 WeakPolarHBondContact CD2-ND2 3.05Å; Y141-N145 WeakPolarHBondContact CE2-ND2 3.47Å; Y141-N145 PolarHBondContact O-N 3.46Å; Y141-N145 PolarHBondContact O-ND2 3.44Å; L142-N145 CarbonylContact O-C 3.6Å; L142-N145 PolarHBondContact O-N 2.95Å; L142-N145 VanDerWaalsContact O-N 3.16Å; N145-V147 PolarHBondContact O-N 3.46Å
146W91.3Very high95Very high137 Ų13726.8 Ų26.852%0.51913%0.133SC..THydrogen-bonded Turntrans61.223.3176.8-57.778000114.8L142 T144 L179 F180L142-W146 PolarHBondContact O-N 3.13Å; T144-W146 PolarHBondContact O-N 3.4Å; W146-L179 CarbonylContact O-C 3.26Å; W146-L179 VanDerWaalsContact O-CA 3.27Å; W146-L179 WeakPolarHBondContact O-CA 3.5Å; W146-F180 VanDerWaalsContact C-CD1 3.41Å; W146-F180 HydrophobicContact CB-CD1 4.23Å; W146-F180 HydrophobicContact CB-CE1 3.98Å; W146-F180 HydrophobicContact CB-CZ 4.2Å; W146-F180 HydrophobicContact CD2-CE1 4.49Å; W146-F180 AromaticContact CD2-CE2 3.93Å; W146-F180 HydrophobicContact CD2-CE2 3.93Å; W146-F180 AromaticContact CD2-CZ 3.83Å; W146-F180 HydrophobicContact CD2-CZ 3.83Å; W146-F180 HydrophobicContact CE3-CD1 4.5Å; W146-F180 AromaticContact CE3-CD2 3.45Å; W146-F180 HydrophobicContact CE3-CD2 3.45Å; W146-F180 VanDerWaalsContact CE3-CD2 3.45Å; W146-F180 HydrophobicContact CE3-CE1 4.18Å; W146-F180 AromaticContact CE3-CE2 2.98Å; W146-F180 HydrophobicContact CE3-CE2 2.98Å; W146-F180 HydrophobicContact CE3-CG 4.17Å; W146-F180 AromaticContact CE3-CZ 3.36Å; W146-F180 HydrophobicContact CE3-CZ 3.36Å; W146-F180 HydrophobicContact CG-CE1 4.49Å; W146-F180 HydrophobicContact CG-CZ 4.23Å; W146-F180 HydrophobicContact CH2-CE2 4.29Å; W146-F180 AromaticContact CZ3-CD2 3.79Å; W146-F180 HydrophobicContact CZ3-CD2 3.79Å; W146-F180 AromaticContact CZ3-CE2 3.22Å; W146-F180 HydrophobicContact CZ3-CE2 3.22Å; W146-F180 AromaticContact CZ3-CZ 3.93Å; W146-F180 HydrophobicContact CZ3-CZ 3.93Å; W146-F180 WeakPolarHBondContact O-CD1 3.48Å; W146-F180 PolarHBondContact O-N 2.99Å
147V92.1Very high95Very high2 Ų226.8 Ų26.81%0.01213%0.133CC..EExtended strand (participates in β ladder)trans-103.2123.6177.7-177.10000110L69 L73 L142 H143 N145 A177 L179L69-V147 HydrophobicContact CD1-CG1 4.33Å; L69-V147 HydrophobicContact CD2-CG2 3.9Å; L73-V147 HydrophobicContact CD2-CG2 4.22Å; L142-V147 CarbonylContact C-O 3.5Å; L142-V147 VanDerWaalsContact C-O 3.26Å; L142-V147 HydrophobicContact CB-CB 4.21Å; L142-V147 HydrophobicContact CD2-CB 4.31Å; L142-V147 HydrophobicContact CD2-CG1 4.23Å; L142-V147 PolarHBondContact O-N 3.12Å; H143-V147 PolarHBondContact CD2-O 3.18Å; N145-V147 PolarHBondContact O-N 3.46Å; V147-A177 HydrophobicContact CG1-CB 4Å; V147-L179 HydrophobicContact CG2-CD2 3.96Å
148L91Very high95Very high4 Ų426 Ų262%0.02113%0.128CC..EExtended strand (participates in β ladder)trans-95.8138.5166.2-58.1179.8000109.3R150 A177 R178 F180 Y211 K213L148-R150 HydrophobicContact CB-CG 3.83Å; L148-A177 CarbonylContact O-C 3.59Å; L148-A177 WeakPolarHBondContact O-CA 3.32Å; L148-A177 WeakPolarHBondContact O-CB 3.48Å; L148-R178 PolarHBondContact N-O 3.48Å; L148-R178 PolarHBondContact O-N 2.95Å; L148-R178 VanDerWaalsContact O-N 3.11Å; L148-F180 HydrophobicContact CD1-CB 4.21Å; L148-F180 HydrophobicContact CD1-CD1 4.28Å; L148-F180 HydrophobicContact CD1-CG 4.48Å; L148-F180 HydrophobicContact CD2-CD1 3.85Å; L148-F180 HydrophobicContact CD2-CE1 4.01Å; L148-F180 HydrophobicContact CG-CB 4.42Å; L148-F180 HydrophobicContact CG-CD1 3.68Å; L148-F180 HydrophobicContact CG-CE1 4.33Å; L148-F180 HydrophobicContact CG-CG 4.35Å; L148-Y211 WeakPolarHBondContact CD1-O 3.43Å; L148-K213 HydrophobicContact CD2-CB 4.37Å; L148-K213 HydrophobicContact CD2-CG 3.76Å
149H92.6Very high95Very high0 Ų026 Ų260%013%0.128CC..  trans-79.8-47.7-179.8-173.2-76.5000112I139 D151 L152 I171 A172 D216I139-H149 HydrophobicContact CD1-CB 3.9Å; H149-D151 PolarHBondContact CE1-O 2.66Å; H149-D151 VanDerWaalsContact CE1-O 3.28Å; H149-D151 VanDerWaalsContact ND1-C 3.28Å; H149-D151 PolarHBondContact ND1-N 3.07Å; H149-D151 PolarHBondContact O-N 3Å; H149-L152 HydrophobicContact CB-CD1 4.39Å; H149-L152 HydrophobicContact CB-CD2 4.07Å; H149-L152 HydrophobicContact CB-CG 3.88Å; H149-L152 VanDerWaalsContact CG-CD2 3.47Å; H149-L152 PolarHBondContact ND1-N 3.46Å; H149-I171 VanDerWaalsContact CD2-CG2 3.48Å; H149-I171 WeakPolarHBondContact CD2-CG2 3.4Å; H149-A172 PolarHBondContact NE2-O 3.32Å; H149-D216 PolarHBondContact N-OD2 3.31Å
150R88.9Confident95Very high30 Ų3026.9 Ų26.911%0.11313%0.133CC..  trans69.5-13.8173.6-53.5175.133.6179.5-10.1117.8L148 F176 D191 Y211 D216L148-R150 HydrophobicContact CB-CG 3.83Å; R150-F176 HydrophobicContact CB-CB 4.17Å; R150-F176 VanDerWaalsContact CD-O 3.24Å; R150-F176 WeakPolarHBondContact CD-O 3.5Å; R150-F176 PolarHBondContact NE-O 2.9Å; R150-D191 IonicContact CZ-OD1 3.56Å; R150-D191 IonicContact CZ-OD2 3.99Å; R150-D191 IonicContact NH1-OD1 2.66Å; R150-D191 IonicContact NH1-OD2 3.63Å; R150-D191 PolarHBondContact NH1-OD2 2.94Å; R150-D191 VanDerWaalsContact NH1-OD2 3.08Å; R150-D191 IonicContact NH2-OD1 3.7Å; R150-D191 PolarHBondContact NH2-OD1 3Å; R150-D191 IonicContact NH2-OD2 2.91Å; R150-D191 PolarHBondContact NH2-OD2 2.76Å; R150-Y211 HydrophobicContact CB-CD1 3.98Å; R150-Y211 HydrophobicContact CB-CE1 3.95Å; R150-Y211 HydrophobicContact CG-CD1 3.62Å; R150-Y211 HydrophobicContact CG-CE1 4.09Å; R150-Y211 HydrophobicContact CG-CG 3.87Å; R150-Y211 VanDerWaalsContact NE-CE2 3.33Å; R150-Y211 PolarHBondContact NH2-OH 3.01Å; R150-D216 WeakPolarHBondContact CA-OD1 3.31Å; R150-D216 PolarHBondContact N-OD1 2.74Å
151D88.8Confident94.9Very high13 Ų1325 Ų257%0.0713%0.126CC..  trans-131.846.9173.9-168.331.6000112.1H149 K153 N156 F176H149-D151 PolarHBondContact CE1-O 2.66Å; H149-D151 VanDerWaalsContact CE1-O 3.28Å; H149-D151 VanDerWaalsContact ND1-C 3.28Å; H149-D151 PolarHBondContact ND1-N 3.07Å; H149-D151 PolarHBondContact O-N 3Å; D151-K153 PolarHBondContact O-N 2.72Å; D151-K153 IonicContact OD1-NZ 3.7Å; D151-K153 PolarHBondContact OD1-NZ 2.94Å; D151-K153 IonicContact OD2-NZ 3.74Å; D151-K153 PolarHBondContact OD2-NZ 3.26Å; D151-N156 PolarHBondContact O-ND2 3.5Å; D151-N156 PolarHBondContact OD2-ND2 2.68Å; D151-F176 HydrophobicContact CB-CB 4.24Å; D151-F176 HydrophobicContact CB-CD2 3.77Å; D151-F176 HydrophobicContact CB-CG 4.11Å
152L94.6Very high94.8Very high5 Ų529.3 Ų29.33%0.02615%0.148CC..  trans-71.9124.5175.8-72.9176000110.2I139 H149 I157 I171 Y199 D216 A219 I220 I223I139-L152 HydrophobicContact CD1-CD1 3.87Å; I139-L152 HydrophobicContact CG1-CD1 4.19Å; H149-L152 HydrophobicContact CB-CD1 4.39Å; H149-L152 HydrophobicContact CB-CD2 4.07Å; H149-L152 HydrophobicContact CB-CG 3.88Å; H149-L152 VanDerWaalsContact CG-CD2 3.47Å; H149-L152 PolarHBondContact ND1-N 3.46Å; L152-I157 HydrophobicContact CD2-CD1 4.02Å; L152-I171 HydrophobicContact CD2-CG2 4.01Å; L152-Y199 WeakPolarHBondContact O-CB 3.45Å; L152-D216 HydrophobicContact CD1-CB 3.81Å; L152-A219 HydrophobicContact CB-CB 3.75Å; L152-I220 HydrophobicContact CD1-CD1 3.95Å; L152-I220 HydrophobicContact CD1-CG1 3.77Å; L152-I223 HydrophobicContact CB-CD1 4.45Å
153K93.9Very high94.7Very high37 Ų3731.4 Ų31.416%0.16117%0.169CC..  trans-158.2162.1177.664.3-163.8179.7-152.80109.4D151 A155 N156 Y199D151-K153 PolarHBondContact O-N 2.72Å; D151-K153 IonicContact OD1-NZ 3.7Å; D151-K153 PolarHBondContact OD1-NZ 2.94Å; D151-K153 IonicContact OD2-NZ 3.74Å; D151-K153 PolarHBondContact OD2-NZ 3.26Å; K153-A155 HydrophobicContact CG-CB 4.39Å; K153-A155 PolarHBondContact O-N 3.47Å; K153-A155 VanDerWaalsContact O-N 3.1Å; K153-N156 WeakPolarHBondContact CE-ND2 3.5Å; K153-N156 HydrophobicContact CG-CB 4.23Å; K153-N156 PolarHBondContact O-N 3.32Å; K153-Y199 HydrophobicContact CB-CD2 3.68Å; K153-Y199 HydrophobicContact CB-CE2 3.87Å; K153-Y199 HydrophobicContact CB-CG 4.18Å
154P96.5Very high94.7Very high2 Ų237.5 Ų37.51%0.01321%0.209CC..G310 helixtrans-53.7-34.7-176.8-30.637.1000115.1L104 W105 I108 N156 I157 Y199 I223L104-P154 HydrophobicContact CB-CB 3.82Å; L104-P154 WeakPolarHBondContact CB-O 3.49Å; L104-P154 PolarHBondContact N-O 3.18Å; W105-P154 HydrophobicContact CB-CB 4.06Å; W105-P154 PolarHBondContact N-O 2.99Å; I108-P154 HydrophobicContact CD1-CB 4.09Å; I108-P154 HydrophobicContact CD1-CG 4.12Å; P154-N156 PolarHBondContact O-N 2.58Å; P154-I157 PolarHBondContact O-N 3.4Å; P154-Y199 VanDerWaalsContact CD-CE1 3.43Å; P154-Y199 VanDerWaalsContact CD-OH 3.22Å; P154-Y199 WeakPolarHBondContact CD-OH 3.21Å; P154-Y199 HydrophobicContact CG-CE1 3.95Å; P154-Y199 VanDerWaalsContact CG-OH 3.31Å; P154-Y199 WeakPolarHBondContact CG-OH 3.41Å; P154-I223 HydrophobicContact CG-CG1 4.29Å
155A93Very high94.7Very high41 Ų4136.4 Ų36.434%0.33920%0.199SC..G310 helixtrans-66.6-23.417800000113.6W105 K153W105-A155 HydrophobicContact CB-CB 4.23Å; K153-A155 HydrophobicContact CG-CB 4.39Å; K153-A155 PolarHBondContact O-N 3.47Å; K153-A155 VanDerWaalsContact O-N 3.1Å
156N95.4Very high94.9Very high13 Ų1335.1 Ų35.17%0.0719%0.189CC..G310 helixtrans-95.71.3-179.6-68.8-0.6000112.5D151 K153 P154 A172D151-N156 PolarHBondContact O-ND2 3.5Å; D151-N156 PolarHBondContact OD2-ND2 2.68Å; K153-N156 WeakPolarHBondContact CE-ND2 3.5Å; K153-N156 HydrophobicContact CG-CB 4.23Å; K153-N156 PolarHBondContact O-N 3.32Å; P154-N156 PolarHBondContact O-N 2.58Å; N156-A172 PolarHBondContact O-N 2.75Å
157I98.4Very high95.2Very high0 Ų028.6 Ų28.60%016%0.164CC..EExtended strand (participates in β ladder)trans-106.494.8173.4-51.6-57.5000108D103 L104 I135 L152 P154 V169 I171 I223D103-I157 CarbonylContact C-O 3.58Å; D103-I157 VanDerWaalsContact CA-O 3.3Å; D103-I157 WeakPolarHBondContact CA-O 3.34Å; D103-I157 WeakPolarHBondContact CB-O 3.32Å; L104-I157 HydrophobicContact CB-CB 4.33Å; L104-I157 HydrophobicContact CD1-CB 3.75Å; L104-I157 HydrophobicContact CD1-CG1 4.18Å; L104-I157 HydrophobicContact CD1-CG2 3.58Å; L104-I157 HydrophobicContact CG-CB 3.81Å; L104-I157 HydrophobicContact CG-CG2 3.71Å; L104-I157 PolarHBondContact N-O 3.41Å; I135-I157 HydrophobicContact CD1-CG1 4.49Å; I135-I157 HydrophobicContact CD1-CG2 3.92Å; I135-I157 HydrophobicContact CG1-CD1 4.39Å; I135-I157 HydrophobicContact CG1-CG2 3.8Å; I135-I157 HydrophobicContact CG2-CD1 4.43Å; L152-I157 HydrophobicContact CD2-CD1 4.02Å; P154-I157 PolarHBondContact O-N 3.4Å; I157-V169 HydrophobicContact CG2-CG1 3.63Å; I157-I171 HydrophobicContact CD1-CG1 4.12Å; I157-I223 HydrophobicContact CG1-CD1 4.18Å
158L98.6Very high95.6Very high30 Ų3031.9 Ų31.916%0.15718%0.177CC..EExtended strand (participates in β ladder)trans-81.8154.9179.2-45.7179.6000110.3I79 A100 H102 D103 V169 K170 A172I79-L158 HydrophobicContact CD1-CD1 4.41Å; A100-L158 HydrophobicContact CB-CB 3.64Å; A100-L158 HydrophobicContact CB-CD1 3.98Å; A100-L158 HydrophobicContact CB-CG 4.38Å; H102-L158 WeakPolarHBondContact O-CA 3.48Å; D103-L158 HydrophobicContact CB-CD2 3.92Å; L158-V169 CarbonylContact O-C 2.84Å; L158-V169 WeakPolarHBondContact O-CA 3.02Å; L158-K170 HydrophobicContact CB-CB 4.23Å; L158-K170 WeakPolarHBondContact CB-O 2.88Å; L158-K170 PolarHBondContact N-O 2.7Å; L158-K170 PolarHBondContact O-N 3.09Å; L158-A172 HydrophobicContact CD1-CB 3.55Å; L158-A172 HydrophobicContact CG-CB 3.77Å
159V98.7Very high95.9Very high0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans-131.8125.1173.9-175.10000108.4H102 L104 I107 L131 R168 V345 F346H102-V159 HydrophobicContact CB-CB 4.18Å; H102-V159 PolarHBondContact N-O 3.4Å; H102-V159 VanDerWaalsContact N-O 3.11Å; H102-V159 PolarHBondContact O-N 3.04Å; L104-V159 HydrophobicContact CD2-CG2 4.23Å; I107-V159 HydrophobicContact CD1-CB 4.38Å; I107-V159 HydrophobicContact CD1-CG2 4.07Å; L131-V159 HydrophobicContact CD2-CG2 3.92Å; V159-R168 WeakPolarHBondContact CA-O 3.38Å; V159-V345 HydrophobicContact CG1-CG2 3.85Å; V159-F346 HydrophobicContact CG1-CE1 4.35Å; V159-F346 HydrophobicContact CG1-CE2 3.94Å; V159-F346 HydrophobicContact CG1-CZ 3.51Å
160M98.5Very high96.2Very high19 Ų1932.2 Ų32.29%0.09418%0.178CC..  trans-63.9136.2178.7-60.9-58.5-73.900110.5D98 A100 E165 G167 R168 K170D98-M160 HydrophobicContact CB-CE 4.2Å; A100-M160 HydrophobicContact CB-SD 3.89Å; M160-E165 HydrophobicContact CB-CB 4.22Å; M160-E165 WeakPolarHBondContact CB-O 3.27Å; M160-E165 HydrophobicContact CE-CB 4.28Å; M160-E165 HydrophobicContact CG-CB 3.92Å; M160-G167 PolarHBondContact O-N 2.94Å; M160-R168 HydrophobicContact CG-CB 4.15Å; M160-R168 WeakPolarHBondContact CG-O 3.45Å; M160-R168 PolarHBondContact N-O 3.23Å; M160-K170 HydrophobicContact CG-CG 4.04Å; M160-K170 HydrophobicContact SD-CG 3.8Å
161G97.6Very high96.7Very high7 Ų730.8 Ų30.87%0.07217%0.172CC..  trans-78.3-148.3176.900000112.2R166G161-R166 VanDerWaalsContact O-CA 3.3Å; G161-R166 WeakPolarHBondContact O-CA 3.46Å
162E96.4Very high96.9Very high133 Ų13330.8 Ų30.862%0.62117%0.174SC*.SBendtrans-63.2141.7173.5-64.2-61.7167.200111.5R166 I351E162-R166 IonicContact OE1-CZ 3.7Å; E162-R166 IonicContact OE1-NE 2.94Å; E162-R166 PolarHBondContact OE1-NE 3.21Å; E162-R166 IonicContact OE1-NH2 3.79Å; E162-R166 PolarHBondContact OE1-NH2 2.87Å; E162-R166 WeakPolarHBondContact OE2-CD 3.43Å; E162-R166 IonicContact OE2-CZ 3.46Å; E162-R166 IonicContact OE2-NE 2.75Å; E162-R166 PolarHBondContact OE2-NE 3.41Å; E162-R166 IonicContact OE2-NH2 2.76Å; E162-I351 HydrophobicContact CG-CD1 4.26Å; E162-I351 WeakPolarHBondContact OE1-CD1 3.27Å
163G95.3Very high96.5Very high44 Ų4431.5 Ų31.545%0.45418%0.178SC..SBendtrans137-169.7179.800000114.1E165 R166G163-E165 PolarHBondContact O-N 3.43Å; G163-R166 WeakPolarHBondContact O-CB 3.16Å; G163-R166 PolarHBondContact O-N 3.22Å; G163-R166 VanDerWaalsContact O-N 3.11Å
164P95.7Very high95.7Very high132 Ų13229.7 Ų29.786%0.85717%0.17SC*.THydrogen-bonded Turntrans-62.3-26.2-174.2-24.634.4000115
165E97.5Very high94.3Very high45 Ų4529.8 Ų29.821%0.2117%0.172CC..THydrogen-bonded Turntrans-104.825.5178.3-62.2-158.410000112.5M160 G163 G167 R168 K170M160-E165 HydrophobicContact CB-CB 4.22Å; M160-E165 WeakPolarHBondContact CB-O 3.27Å; M160-E165 HydrophobicContact CE-CB 4.28Å; M160-E165 HydrophobicContact CG-CB 3.92Å; G163-E165 PolarHBondContact O-N 3.43Å; E165-G167 PolarHBondContact O-N 2.9Å; E165-R168 HydrophobicContact CB-CB 4.22Å; E165-R168 WeakPolarHBondContact O-CB 3.38Å; E165-R168 PolarHBondContact O-N 3.16Å; E165-R168 VanDerWaalsContact OE1-CD 3.28Å; E165-R168 WeakPolarHBondContact OE1-CD 3.38Å; E165-R168 IonicContact OE1-CZ 3.58Å; E165-R168 IonicContact OE1-NE 2.87Å; E165-R168 IonicContact OE1-NH1 2.66Å; E165-R168 PolarHBondContact OE1-NH1 3.49Å; E165-K170 IonicContact OE1-NZ 2.94Å; E165-K170 PolarHBondContact OE1-NZ 3Å; E165-K170 WeakPolarHBondContact OE2-CE 3.14Å; E165-K170 IonicContact OE2-NZ 3.1Å; E165-K170 PolarHBondContact OE2-NZ 3.24Å
166R98.3Very high93.2Very high43 Ų4328.1 Ų28.116%0.16216%0.157CC..THydrogen-bonded Turntrans-43.2126.3-175-172.5-176.4-162.7-90.7-2113.7G161 E162 G163 R168 D344 F346 C349 I351G161-R166 VanDerWaalsContact O-CA 3.3Å; G161-R166 WeakPolarHBondContact O-CA 3.46Å; E162-R166 IonicContact OE1-CZ 3.7Å; E162-R166 IonicContact OE1-NE 2.94Å; E162-R166 PolarHBondContact OE1-NE 3.21Å; E162-R166 IonicContact OE1-NH2 3.79Å; E162-R166 PolarHBondContact OE1-NH2 2.87Å; E162-R166 WeakPolarHBondContact OE2-CD 3.43Å; E162-R166 IonicContact OE2-CZ 3.46Å; E162-R166 IonicContact OE2-NE 2.75Å; E162-R166 PolarHBondContact OE2-NE 3.41Å; E162-R166 IonicContact OE2-NH2 2.76Å; G163-R166 WeakPolarHBondContact O-CB 3.16Å; G163-R166 PolarHBondContact O-N 3.22Å; G163-R166 VanDerWaalsContact O-N 3.11Å; R166-R168 PolarHBondContact O-N 3.16Å; R166-R168 VanDerWaalsContact O-N 3.16Å; R166-D344 IonicContact CZ-OD2 2.7Å; R166-D344 IonicContact NH1-OD1 3.32Å; R166-D344 IonicContact NH1-OD2 2.73Å; R166-D344 PolarHBondContact NH1-OD2 3.41Å; R166-D344 WeakPolarHBondContact O-CA 3.5Å; R166-D344 WeakPolarHBondContact O-CB 3.21Å; R166-F346 HydrophobicContact CG-CD2 4.47Å; R166-C349 PolarHBondContact NH1-O 3.33Å; R166-C349 PolarHBondContact NH2-O 3.49Å; R166-I351 VanDerWaalsContact NH2-CG1 3.26Å
167G98.4Very high92Very high0 Ų027.5 Ų27.50%015%0.153CC..THydrogen-bonded Turntrans68.37.7176.900000115M160 E165 D344 V345 F346M160-G167 PolarHBondContact O-N 2.94Å; E165-G167 PolarHBondContact O-N 2.9Å; G167-D344 WeakPolarHBondContact CA-OD1 3.12Å; G167-V345 WeakPolarHBondContact O-CG1 3.42Å; G167-V345 WeakPolarHBondContact O-CG2 3.48Å; G167-V345 PolarHBondContact O-N 3.02Å; G167-F346 VanDerWaalsContact CA-CE2 3.48Å
168R98.8Very high90.7Very high71 Ų7129.4 Ų29.427%0.26816%0.161SC..  trans-73.6133.7175.5-172.4168.2-68.4170.2-1.6110.6P76 V159 M160 E165 R166P76-R168 WeakPolarHBondContact O-CD 3.35Å; V159-R168 WeakPolarHBondContact CA-O 3.38Å; M160-R168 HydrophobicContact CG-CB 4.15Å; M160-R168 WeakPolarHBondContact CG-O 3.45Å; M160-R168 PolarHBondContact N-O 3.23Å; E165-R168 HydrophobicContact CB-CB 4.22Å; E165-R168 WeakPolarHBondContact O-CB 3.38Å; E165-R168 PolarHBondContact O-N 3.16Å; E165-R168 VanDerWaalsContact OE1-CD 3.28Å; E165-R168 WeakPolarHBondContact OE1-CD 3.38Å; E165-R168 IonicContact OE1-CZ 3.58Å; E165-R168 IonicContact OE1-NE 2.87Å; E165-R168 IonicContact OE1-NH1 2.66Å; E165-R168 PolarHBondContact OE1-NH1 3.49Å; R166-R168 PolarHBondContact O-N 3.16Å; R166-R168 VanDerWaalsContact O-N 3.16Å
169V98.8Very high89.3Confident0 Ų033 Ų330%018%0.179CC..EExtended strand (participates in β ladder)trans-72.9140172.1172.80000109.8N77 L131 Q134 I135 I157 L158 V345N77-V169 VanDerWaalsContact CA-O 3.24Å; N77-V169 WeakPolarHBondContact CA-O 3.27Å; N77-V169 PolarHBondContact ND2-O 3.46Å; L131-V169 HydrophobicContact CD2-CG2 3.66Å; Q134-V169 HydrophobicContact CB-CB 3.79Å; Q134-V169 HydrophobicContact CB-CG2 3.76Å; I135-V169 HydrophobicContact CG1-CG1 4.05Å; I157-V169 HydrophobicContact CG2-CG1 3.63Å; L158-V169 CarbonylContact O-C 2.84Å; L158-V169 WeakPolarHBondContact O-CA 3.02Å; V169-V345 HydrophobicContact CG2-CG1 4.36Å
170K98.7Very high87.8Confident11 Ų1134.5 Ų34.55%0.04819%0.186CC..EExtended strand (participates in β ladder)trans-127.4112.3168.1-55.7-70.5-176.7174.40109.2P76 I79 L158 M160 E165 A172P76-K170 VanDerWaalsContact O-CD 3.31Å; P76-K170 WeakPolarHBondContact O-CD 3.16Å; P76-K170 WeakPolarHBondContact O-CE 3.16Å; P76-K170 PolarHBondContact O-NZ 2.9Å; I79-K170 HydrophobicContact CB-CB 4.44Å; I79-K170 HydrophobicContact CD1-CB 4.06Å; I79-K170 HydrophobicContact CD1-CG 4.26Å; L158-K170 HydrophobicContact CB-CB 4.23Å; L158-K170 WeakPolarHBondContact CB-O 2.88Å; L158-K170 PolarHBondContact N-O 2.7Å; L158-K170 PolarHBondContact O-N 3.09Å; M160-K170 HydrophobicContact CG-CG 4.04Å; M160-K170 HydrophobicContact SD-CG 3.8Å; E165-K170 IonicContact OE1-NZ 2.94Å; E165-K170 PolarHBondContact OE1-NZ 3Å; E165-K170 WeakPolarHBondContact OE2-CE 3.14Å; E165-K170 IonicContact OE2-NZ 3.1Å; E165-K170 PolarHBondContact OE2-NZ 3.24Å; K170-A172 PolarHBondContact O-N 3.09Å
171I98.5Very high85.8Confident0 Ų037.8 Ų37.80%020%0.204CC..EExtended strand (participates in β ladder)trans-70.2125.5169.6-59.1173.8000107.8N77 I79 I139 L142 H149 L152 I157 M174N77-I171 WeakPolarHBondContact O-CG1 3.36Å; N77-I171 PolarHBondContact O-N 2.99Å; I79-I171 WeakPolarHBondContact CG2-O 2.96Å; I79-I171 PolarHBondContact N-O 3.46Å; I139-I171 HydrophobicContact CB-CD1 4.45Å; L142-I171 HydrophobicContact CD1-CG2 4.44Å; H149-I171 VanDerWaalsContact CD2-CG2 3.48Å; H149-I171 WeakPolarHBondContact CD2-CG2 3.4Å; L152-I171 HydrophobicContact CD2-CG2 4.01Å; I157-I171 HydrophobicContact CD1-CG1 4.12Å; I171-M174 HydrophobicContact CB-CE 4.5Å; I171-M174 HydrophobicContact CG2-CE 3.82Å
172A94.3Very high83.2Confident13 Ų1342.7 Ų42.711%0.10724%0.237CC..  trans-126.7172.2-174.400000112.2I79 H149 N156 L158 K170I79-A172 HydrophobicContact CB-CB 4.26Å; I79-A172 HydrophobicContact CG2-CB 4.07Å; H149-A172 PolarHBondContact NE2-O 3.32Å; N156-A172 PolarHBondContact O-N 2.75Å; L158-A172 HydrophobicContact CD1-CB 3.55Å; L158-A172 HydrophobicContact CG-CB 3.77Å; K170-A172 PolarHBondContact O-N 3.09Å
173D84.3Confident81.1Confident20 Ų2041.7 Ų41.711%0.10724%0.242CC..  trans66.272.4176.7-163.718.5000115.1Y32 K52 G175Y32-D173 WeakPolarHBondContact CD2-OD2 3.47Å; Y32-D173 WeakPolarHBondContact CE2-OD2 3.42Å; K52-D173 IonicContact NZ-OD1 3.52Å; D173-G175 PolarHBondContact O-N 3.29Å
174M78.5Confident79.3Confident0 Ų043.1 Ų43.10%024%0.239CC..G310 helixtrans-81.416.1177.7-58.8-63.5153.100113.1L70 V78 L142 I171 F176 A177L70-M174 HydrophobicContact CD2-CG 3.77Å; L70-M174 HydrophobicContact CG-CG 4.22Å; V78-M174 HydrophobicContact CG1-CE 4.05Å; L142-M174 HydrophobicContact CD1-CE 3.98Å; L142-M174 HydrophobicContact CD1-SD 4.34Å; I171-M174 HydrophobicContact CB-CE 4.5Å; I171-M174 HydrophobicContact CG2-CE 3.82Å; M174-F176 PolarHBondContact O-N 2.75Å; M174-A177 HydrophobicContact CB-CB 3.85Å; M174-A177 VanDerWaalsContact O-CB 3.23Å; M174-A177 WeakPolarHBondContact O-CB 3.45Å; M174-A177 PolarHBondContact O-N 2.77Å; M174-A177 HydrophobicContact SD-CB 4.09Å
175G66.3Low77.3Confident4 Ų444.4 Ų44.44%0.04123%0.231CC..G310 helixtrans-59.6-32-177.100000114D173 R178D173-G175 PolarHBondContact O-N 3.29Å; G175-R178 PolarHBondContact O-NH1 3.44Å
176F69.7Low75.4Confident5 Ų546.4 Ų46.42%0.02225%0.248CC..G310 helixtrans-95.5-5.6174.3-62.3-92.7000113.3Y32 R150 D151 M174 R178 P192 V194Y32-F176 HydrophobicContact CD1-CE2 4.26Å; Y32-F176 HydrophobicContact CE1-CD2 4.43Å; Y32-F176 AromaticContact CE1-CE2 3.22Å; Y32-F176 HydrophobicContact CE1-CE2 3.22Å; Y32-F176 AromaticContact CE1-CZ 3.49Å; Y32-F176 HydrophobicContact CE1-CZ 3.49Å; Y32-F176 VanDerWaalsContact CE1-CZ 3.49Å; Y32-F176 HydrophobicContact CE2-CE2 4.23Å; Y32-F176 AromaticContact CZ-CE2 3.21Å; Y32-F176 AromaticContact CZ-CZ 3.67Å; Y32-F176 WeakPolarHBondContact OH-CE2 3.13Å; Y32-F176 WeakPolarHBondContact OH-CZ 3.27Å; R150-F176 HydrophobicContact CB-CB 4.17Å; R150-F176 VanDerWaalsContact CD-O 3.24Å; R150-F176 WeakPolarHBondContact CD-O 3.5Å; R150-F176 PolarHBondContact NE-O 2.9Å; D151-F176 HydrophobicContact CB-CB 4.24Å; D151-F176 HydrophobicContact CB-CD2 3.77Å; D151-F176 HydrophobicContact CB-CG 4.11Å; M174-F176 PolarHBondContact O-N 2.75Å; F176-R178 VanDerWaalsContact C-NH1 3.25Å; F176-R178 PolarHBondContact O-NH1 3.28Å; F176-R178 VanDerWaalsContact O-NH1 3.08Å; F176-P192 HydrophobicContact CE1-CB 3.9Å; F176-P192 HydrophobicContact CE1-CG 3.7Å; F176-P192 HydrophobicContact CZ-CB 4.13Å; F176-P192 HydrophobicContact CZ-CG 4.02Å; F176-V194 HydrophobicContact CE1-CG2 4.2Å
177A70.3Confident73.4Confident0 Ų047.2 Ų47.20%026%0.255CS..  trans-60.8147.2-174.600000110.4R65 L69 V147 L148 M174R65-A177 WeakPolarHBondContact CD-O 3.49Å; L69-A177 HydrophobicContact CD1-CB 3.64Å; V147-A177 HydrophobicContact CG1-CB 4Å; L148-A177 CarbonylContact O-C 3.59Å; L148-A177 WeakPolarHBondContact O-CA 3.32Å; L148-A177 WeakPolarHBondContact O-CB 3.48Å; M174-A177 HydrophobicContact CB-CB 3.85Å; M174-A177 VanDerWaalsContact O-CB 3.23Å; M174-A177 WeakPolarHBondContact O-CB 3.45Å; M174-A177 PolarHBondContact O-N 2.77Å; M174-A177 HydrophobicContact SD-CB 4.09Å
178R72.3Confident71.1Confident41 Ų4150 Ų5016%0.15528%0.278CS..EExtended strand (participates in β ladder)trans-138.2141.3175.4-62.6-66.6177.5-93.15.7109.2R65 L148 G175 F176 F180 D191R65-R178 VanDerWaalsContact NH2-CZ 3.31Å; R65-R178 VanDerWaalsContact NH2-NH2 3.14Å; L148-R178 PolarHBondContact N-O 3.48Å; L148-R178 PolarHBondContact O-N 2.95Å; L148-R178 VanDerWaalsContact O-N 3.11Å; G175-R178 PolarHBondContact O-NH1 3.44Å; F176-R178 VanDerWaalsContact C-NH1 3.25Å; F176-R178 PolarHBondContact O-NH1 3.28Å; F176-R178 VanDerWaalsContact O-NH1 3.08Å; R178-F180 PolarHBondContact O-N 3.25Å; R178-D191 IonicContact CZ-OD1 3.08Å; R178-D191 IonicContact NE-OD1 3.44Å; R178-D191 IonicContact NH2-OD1 3.32Å; R178-D191 PolarHBondContact NH2-OD1 3.15Å
179L68.5Low68.8Low104 Ų10455 Ų5555%0.54531%0.31SS..EExtended strand (participates in β ladder)trans-63.7126.2156-65.7174000107.6L69 W146 V147L69-L179 HydrophobicContact CD2-CD2 3.92Å; L69-L179 HydrophobicContact CD2-CG 4.07Å; W146-L179 CarbonylContact O-C 3.26Å; W146-L179 VanDerWaalsContact O-CA 3.27Å; W146-L179 WeakPolarHBondContact O-CA 3.5Å; V147-L179 HydrophobicContact CG2-CD2 3.96Å
180F66.3Low66.3Low33 Ų3362.1 Ų62.115%0.14535%0.348CS..PPolyproline II helixtrans-93.2126.8165.369.2-83.4000108.2W146 L148 R178 L184 K213W146-F180 VanDerWaalsContact C-CD1 3.41Å; W146-F180 HydrophobicContact CB-CD1 4.23Å; W146-F180 HydrophobicContact CB-CE1 3.98Å; W146-F180 HydrophobicContact CB-CZ 4.2Å; W146-F180 HydrophobicContact CD2-CE1 4.49Å; W146-F180 AromaticContact CD2-CE2 3.93Å; W146-F180 HydrophobicContact CD2-CE2 3.93Å; W146-F180 AromaticContact CD2-CZ 3.83Å; W146-F180 HydrophobicContact CD2-CZ 3.83Å; W146-F180 HydrophobicContact CE3-CD1 4.5Å; W146-F180 AromaticContact CE3-CD2 3.45Å; W146-F180 HydrophobicContact CE3-CD2 3.45Å; W146-F180 VanDerWaalsContact CE3-CD2 3.45Å; W146-F180 HydrophobicContact CE3-CE1 4.18Å; W146-F180 AromaticContact CE3-CE2 2.98Å; W146-F180 HydrophobicContact CE3-CE2 2.98Å; W146-F180 HydrophobicContact CE3-CG 4.17Å; W146-F180 AromaticContact CE3-CZ 3.36Å; W146-F180 HydrophobicContact CE3-CZ 3.36Å; W146-F180 HydrophobicContact CG-CE1 4.49Å; W146-F180 HydrophobicContact CG-CZ 4.23Å; W146-F180 HydrophobicContact CH2-CE2 4.29Å; W146-F180 AromaticContact CZ3-CD2 3.79Å; W146-F180 HydrophobicContact CZ3-CD2 3.79Å; W146-F180 AromaticContact CZ3-CE2 3.22Å; W146-F180 HydrophobicContact CZ3-CE2 3.22Å; W146-F180 AromaticContact CZ3-CZ 3.93Å; W146-F180 HydrophobicContact CZ3-CZ 3.93Å; W146-F180 WeakPolarHBondContact O-CD1 3.48Å; W146-F180 PolarHBondContact O-N 2.99Å; L148-F180 HydrophobicContact CD1-CB 4.21Å; L148-F180 HydrophobicContact CD1-CD1 4.28Å; L148-F180 HydrophobicContact CD1-CG 4.48Å; L148-F180 HydrophobicContact CD2-CD1 3.85Å; L148-F180 HydrophobicContact CD2-CE1 4.01Å; L148-F180 HydrophobicContact CG-CB 4.42Å; L148-F180 HydrophobicContact CG-CD1 3.68Å; L148-F180 HydrophobicContact CG-CE1 4.33Å; L148-F180 HydrophobicContact CG-CG 4.35Å; R178-F180 PolarHBondContact O-N 3.25Å; F180-L184 HydrophobicContact CB-CD2 4.21Å; F180-L184 HydrophobicContact CD2-CD2 4.34Å; F180-K213 HydrophobicContact CZ-CD 4.47Å
181N57.6Low64.1Low88 Ų8863.3 Ų63.347%0.47135%0.354SS..PPolyproline II helixtrans-99.8155.2170.6-69.450.1000107.9P183 L184N181-P183 CarbonylContact C-O 3.57Å; N181-P183 CarbonylContact O-C 3.54Å; N181-L184 WeakPolarHBondContact O-CA 3.37Å; N181-L184 PolarHBondContact O-N 3.38Å
182S42.2Very low61.9Low110 Ų11065.8 Ų65.877%0.76937%0.37SS*.SBendtrans-90.1120.5159.8-171.40000107.8
183P53.4Low59.9Low111 Ų11169.8 Ų69.872%0.72139%0.393SS*.SBendcis-80.8154.22.333-34.6000113.5N181 K185N181-P183 CarbonylContact C-O 3.57Å; N181-P183 CarbonylContact O-C 3.54Å; P183-K185 PolarHBondContact O-N 2.88Å
184L57.2Low58.8Low75 Ų7570.5 Ų70.539%0.39340%0.398SS..PPolyproline II helixtrans-57121.7179.5-67.3171.7000110.2F180 N181 H210F180-L184 HydrophobicContact CB-CD2 4.21Å; F180-L184 HydrophobicContact CD2-CD2 4.34Å; N181-L184 WeakPolarHBondContact O-CA 3.37Å; N181-L184 PolarHBondContact O-N 3.38Å; L184-H210 HydrophobicContact CB-CB 4.34Å; L184-H210 HydrophobicContact CD1-CB 4.19Å; L184-H210 PolarHBondContact O-CE1 3.29Å
185K53.5Low57.7Low158 Ų15874.1 Ų74.169%0.68742%0.42SS*.PPolyproline II helixtrans-70.6136.5175-68.8-172.8177.8179.80109.6P183 H210P183-K185 PolarHBondContact O-N 2.88Å; K185-H210 PolarHBondContact O-ND1 3.1Å
186P57.4Low57.7Low88 Ų8876.6 Ų76.657%0.57144%0.435SS*.PPolyproline II helixtrans-56.8149.2169-21.431.7000111A188 R209P186-A188 PolarHBondContact O-N 2.84Å; P186-R209 CarbonylContact C-O 3.55Å
187L55.8Low58.3Low60 Ų6077.3 Ų77.331%0.31444%0.438SS..  trans-49.4113.5161.6-96.8121.1000107.5A208 R209 Y211L187-A208 WeakPolarHBondContact CD1-O 3.46Å; L187-R209 VanDerWaalsContact CD1-O 3.32Å; L187-R209 WeakPolarHBondContact CD1-O 3.4Å; L187-R209 PolarHBondContact N-O 2.59Å; L187-Y211 HydrophobicContact CD1-CD2 4Å; L187-Y211 HydrophobicContact CD1-CE2 3.81Å; L187-Y211 HydrophobicContact CD2-CD2 4.43Å; L187-Y211 HydrophobicContact CD2-CE2 3.59Å; L187-Y211 HydrophobicContact CG-CD2 4.06Å; L187-Y211 HydrophobicContact CG-CE2 3.7Å
188A50.2Low59.3Low57 Ų5778.7 Ų78.747%0.47144%0.443SS..  trans-77.7148.916400000107.7P186 L190P186-A188 PolarHBondContact O-N 2.84Å; A188-L190 HydrophobicContact CB-CB 4.43Å; A188-L190 HydrophobicContact CB-CD1 4.14Å; A188-L190 HydrophobicContact CB-CG 4.48Å; A188-L190 PolarHBondContact O-N 2.88Å
189D50.4Low60.3Low177 Ų17777.8 Ų77.895%0.94744%0.44SS*.THydrogen-bonded Turntrans-59.415.6178-57.4-50.7000115
190L46.4Very low61.4Low150 Ų15075.2 Ų75.279%0.78542%0.423SS*.THydrogen-bonded Turntrans-107.92.9-167.7-70.7164.3000113.6A188A188-L190 HydrophobicContact CB-CB 4.43Å; A188-L190 HydrophobicContact CB-CD1 4.14Å; A188-L190 HydrophobicContact CB-CG 4.48Å; A188-L190 PolarHBondContact O-N 2.88Å
191D53.4Low62.8Low36 Ų3673.6 Ų73.619%0.19342%0.416CS..SBendtrans-82.7129.4177-72-35.4000110R150 R178R150-D191 IonicContact CZ-OD1 3.56Å; R150-D191 IonicContact CZ-OD2 3.99Å; R150-D191 IonicContact NH1-OD1 2.66Å; R150-D191 IonicContact NH1-OD2 3.63Å; R150-D191 PolarHBondContact NH1-OD2 2.94Å; R150-D191 VanDerWaalsContact NH1-OD2 3.08Å; R150-D191 IonicContact NH2-OD1 3.7Å; R150-D191 PolarHBondContact NH2-OD1 3Å; R150-D191 IonicContact NH2-OD2 2.91Å; R150-D191 PolarHBondContact NH2-OD2 2.76Å; R178-D191 IonicContact CZ-OD1 3.08Å; R178-D191 IonicContact NE-OD1 3.44Å; R178-D191 IonicContact NH2-OD1 3.32Å; R178-D191 PolarHBondContact NH2-OD1 3.15Å
192P51.7Low64.7Low51 Ų5169.4 Ų69.433%0.33139%0.393SS..  trans-53.8143.7178.4-21.127.3000111.4F176 V194F176-P192 HydrophobicContact CE1-CB 3.9Å; F176-P192 HydrophobicContact CE1-CG 3.7Å; F176-P192 HydrophobicContact CZ-CB 4.13Å; F176-P192 HydrophobicContact CZ-CG 4.02Å; P192-V194 PolarHBondContact O-N 2.93Å
193V53Low67.2Low98 Ų9864.5 Ų64.559%0.59436%0.358SS*.  trans-58.2112.3173.6-179.90000108.4I241V193-I241 HydrophobicContact CG1-CG2 4.16Å
194V59.8Low69Low35 Ų3559.4 Ų59.421%0.21233%0.325CS..  trans-77.4129176.4-1790000108.1F176 P192 F197F176-V194 HydrophobicContact CE1-CG2 4.2Å; P192-V194 PolarHBondContact O-N 2.93Å; V194-F197 VanDerWaalsContact O-CE1 3.25Å; V194-F197 WeakPolarHBondContact O-CE1 3.37Å; V194-F197 WeakPolarHBondContact O-CZ 3.32Å
195V56.7Low70.6Confident76 Ų7655.9 Ų55.946%0.46131%0.306SS..SBendtrans-87-23-171.5-176.30000112.6I241V195-I241 HydrophobicContact CG1-CD1 4.05Å
196T67.1Low72.5Confident56 Ų5648.4 Ų48.434%0.34427%0.274SS..  trans-120116.2-175.8-48.70000111.8W198 Y199T196-W198 HydrophobicContact CG2-CB 4.32Å; T196-W198 HydrophobicContact CG2-CD2 3.83Å; T196-W198 HydrophobicContact CG2-CE3 4.08Å; T196-W198 HydrophobicContact CG2-CG 3.96Å; T196-Y199 HydrophobicContact CG2-CE2 4.45Å
197F81.4Confident74Confident19 Ų1944.6 Ų44.68%0.08325%0.251CS..  trans-98.2-0.7-177.1-54.5-61.2000114.8V194 Y199 R200 I241 H248 Q251V194-F197 VanDerWaalsContact O-CE1 3.25Å; V194-F197 WeakPolarHBondContact O-CE1 3.37Å; V194-F197 WeakPolarHBondContact O-CZ 3.32Å; F197-Y199 PolarHBondContact O-N 3.37Å; F197-Y199 VanDerWaalsContact O-N 3.08Å; F197-R200 HydrophobicContact CB-CB 4.37Å; F197-R200 VanDerWaalsContact O-CB 3.27Å; F197-R200 WeakPolarHBondContact O-CB 3.31Å; F197-R200 PolarHBondContact O-N 3.41Å; F197-I241 HydrophobicContact CE2-CG1 4.26Å; F197-H248 AromaticContact CE1-CD2 3.94Å; F197-H248 AromaticContact CE1-NE2 3.47Å; F197-H248 WeakPolarHBondContact CE1-NE2 3.45Å; F197-H248 AromaticContact CE2-CD2 3.96Å; F197-H248 AromaticContact CE2-CE1 3.5Å; F197-H248 VanDerWaalsContact CE2-CE1 3.5Å; F197-H248 WeakPolarHBondContact CE2-CE1 3.34Å; F197-H248 AromaticContact CE2-ND1 3.82Å; F197-H248 AromaticContact CE2-NE2 3.56Å; F197-H248 AromaticContact CZ-CD2 3.9Å; F197-H248 AromaticContact CZ-CE1 3.47Å; F197-H248 VanDerWaalsContact CZ-CE1 3.47Å; F197-H248 WeakPolarHBondContact CZ-CE1 3.27Å; F197-H248 AromaticContact CZ-NE2 3.19Å; F197-H248 WeakPolarHBondContact CZ-NE2 3.44Å; F197-Q251 HydrophobicContact CB-CG 3.88Å
198W91.4Very high75.5Confident29 Ų2942.7 Ų42.711%0.1124%0.244CC..THydrogen-bonded Turntrans-61.9-22.8-174.4-53.2-18.5000114.4T196 P232 H235 C236 H376T196-W198 HydrophobicContact CG2-CB 4.32Å; T196-W198 HydrophobicContact CG2-CD2 3.83Å; T196-W198 HydrophobicContact CG2-CE3 4.08Å; T196-W198 HydrophobicContact CG2-CG 3.96Å; W198-P232 HydrophobicContact CE3-CB 3.92Å; W198-P232 HydrophobicContact CE3-CG 4.04Å; W198-P232 HydrophobicContact CZ3-CB 4.42Å; W198-P232 HydrophobicContact CZ3-CG 4.02Å; W198-H235 AromaticContact CE2-CD2 3.98Å; W198-H235 AromaticContact CH2-CD2 3.61Å; W198-H235 AromaticContact CZ2-CD2 3.51Å; W198-H235 AromaticContact CZ2-NE2 3.82Å; W198-C236 VanDerWaalsContact NE1-N 3.17Å; W198-C236 PolarHBondContact NE1-O 3.38Å; W198-H376 AromaticContact CH2-CD2 3.39Å; W198-H376 WeakPolarHBondContact CH2-CD2 3.3Å; W198-H376 AromaticContact CH2-CE1 3.77Å; W198-H376 AromaticContact CH2-CG 3.83Å; W198-H376 AromaticContact CH2-NE2 3.38Å; W198-H376 WeakPolarHBondContact CH2-NE2 3.33Å; W198-H376 AromaticContact CZ3-CD2 3.81Å; W198-H376 AromaticContact CZ3-CE1 3.57Å; W198-H376 AromaticContact CZ3-NE2 3.26Å; W198-H376 VanDerWaalsContact CZ3-NE2 3.26Å; W198-H376 WeakPolarHBondContact CZ3-NE2 3.38Å
199Y93.8Very high77Confident23 Ų2348.2 Ų48.29%0.0925%0.252CS..THydrogen-bonded Turntrans-106.73.6179-49.7-83.1000112.2L152 K153 P154 T196 F197 C222 I223 E226L152-Y199 WeakPolarHBondContact O-CB 3.45Å; K153-Y199 HydrophobicContact CB-CD2 3.68Å; K153-Y199 HydrophobicContact CB-CE2 3.87Å; K153-Y199 HydrophobicContact CB-CG 4.18Å; P154-Y199 VanDerWaalsContact CD-CE1 3.43Å; P154-Y199 VanDerWaalsContact CD-OH 3.22Å; P154-Y199 WeakPolarHBondContact CD-OH 3.21Å; P154-Y199 HydrophobicContact CG-CE1 3.95Å; P154-Y199 VanDerWaalsContact CG-OH 3.31Å; P154-Y199 WeakPolarHBondContact CG-OH 3.41Å; T196-Y199 HydrophobicContact CG2-CE2 4.45Å; F197-Y199 PolarHBondContact O-N 3.37Å; F197-Y199 VanDerWaalsContact O-N 3.08Å; Y199-C222 HydrophobicContact CD1-CB 3.63Å; Y199-C222 HydrophobicContact CE1-CB 4.28Å; Y199-I223 HydrophobicContact CD1-CG1 4.12Å; Y199-I223 HydrophobicContact CE1-CG1 4.16Å; Y199-E226 WeakPolarHBondContact CE1-OE2 3.24Å; Y199-E226 PolarHBondContact OH-OE2 3.16Å
200R91.6Very high78.4Confident49 Ų4943 Ų4319%0.18522%0.223CC..  trans-80.7132.3-177.5-168.1165.6-177.7-169.9-0.8110F197 L204 L205 W218F197-R200 HydrophobicContact CB-CB 4.37Å; F197-R200 VanDerWaalsContact O-CB 3.27Å; F197-R200 WeakPolarHBondContact O-CB 3.31Å; F197-R200 PolarHBondContact O-N 3.41Å; R200-L204 HydrophobicContact CG-CB 3.79Å; R200-L204 HydrophobicContact CG-CD1 3.78Å; R200-L204 HydrophobicContact CG-CG 4.47Å; R200-L205 HydrophobicContact CB-CD2 4.28Å; R200-L205 HydrophobicContact CG-CD2 3.97Å; R200-L205 HydrophobicContact CG-CG 4.38Å; R200-W218 PolarHBondContact O-NE1 2.83Å; R200-W218 VanDerWaalsContact O-NE1 3.16Å
201A95.3Very high79.9Confident0 Ų037.3 Ų37.30%019%0.191CC..  trans-69.6147.1-179.700000112E203 L204 L205 I215 W218A201-E203 VanDerWaalsContact C-N 3.25Å; A201-E203 HydrophobicContact CB-CG 4.35Å; A201-E203 VanDerWaalsContact CB-OE1 3.27Å; A201-E203 WeakPolarHBondContact CB-OE1 3.37Å; A201-E203 WeakPolarHBondContact CB-OE2 3.28Å; A201-E203 PolarHBondContact O-N 2.95Å; A201-L204 WeakPolarHBondContact O-CB 3.46Å; A201-L204 PolarHBondContact O-N 2.93Å; A201-L205 PolarHBondContact O-N 3Å; A201-I215 HydrophobicContact CB-CB 4.47Å; A201-I215 HydrophobicContact CB-CG1 4.19Å; A201-I215 HydrophobicContact CB-CG2 4.36Å; A201-W218 HydrophobicContact CB-CB 3.79Å; A201-W218 HydrophobicContact CB-CD2 4.31Å; A201-W218 HydrophobicContact CB-CG 3.68Å
202P96.3Very high81.7Confident0 Ų037.8 Ų37.80%020%0.195CC..Hα-helixtrans-60.7-33.1-174.924.5-34.7000112.8L204 L205 L206 W218 I255 W267P202-L204 VanDerWaalsContact C-N 3.26Å; P202-L204 PolarHBondContact O-N 2.85Å; P202-L205 CarbonylContact O-C 3.27Å; P202-L205 WeakPolarHBondContact O-CB 3.44Å; P202-L205 PolarHBondContact O-N 3.11Å; P202-L205 VanDerWaalsContact O-N 3.1Å; P202-L206 WeakPolarHBondContact O-CG 3.41Å; P202-L206 PolarHBondContact O-N 3.08Å; P202-W218 HydrophobicContact CG-CH2 4.13Å; P202-W218 HydrophobicContact CG-CZ2 4.39Å; P202-W218 HydrophobicContact CG-CZ3 4.19Å; P202-I255 HydrophobicContact CB-CD1 4.48Å; P202-W267 HydrophobicContact CB-CH2 4.26Å; P202-W267 HydrophobicContact CB-CZ3 4.1Å; P202-W267 HydrophobicContact CG-CH2 4.3Å; P202-W267 HydrophobicContact CG-CZ3 4.16Å
203E95.1Very high83.7Confident6 Ų639.4 Ų39.43%0.02820%0.197CC..Hα-helixtrans-61-34.1175.963.1-86.8-15900112.7A201 L206 G207 A208 I215 W267 M273 P320 R323A201-E203 VanDerWaalsContact C-N 3.25Å; A201-E203 HydrophobicContact CB-CG 4.35Å; A201-E203 VanDerWaalsContact CB-OE1 3.27Å; A201-E203 WeakPolarHBondContact CB-OE1 3.37Å; A201-E203 WeakPolarHBondContact CB-OE2 3.28Å; A201-E203 PolarHBondContact O-N 2.95Å; E203-L206 CarbonylContact O-C 3.54Å; E203-L206 PolarHBondContact O-N 3.26Å; E203-G207 PolarHBondContact O-N 2.92Å; E203-A208 HydrophobicContact CB-CB 4.1Å; E203-A208 HydrophobicContact CG-CB 4.37Å; E203-A208 WeakPolarHBondContact O-CB 3.35Å; E203-A208 PolarHBondContact O-N 2.98Å; E203-I215 HydrophobicContact CG-CG1 4.46Å; E203-I215 WeakPolarHBondContact OE1-CG1 3.22Å; E203-W267 HydrophobicContact CB-CH2 4.02Å; E203-W267 HydrophobicContact CB-CZ2 3.97Å; E203-M273 HydrophobicContact CB-SD 4.4Å; E203-P320 HydrophobicContact CB-CG 4.35Å; E203-P320 HydrophobicContact CG-CB 4.43Å; E203-P320 HydrophobicContact CG-CG 4.26Å; E203-R323 IonicContact OE1-CZ 3.79Å; E203-R323 IonicContact OE1-NH1 2.72Å; E203-R323 PolarHBondContact OE1-NH1 2.95Å; E203-R323 IonicContact OE1-NH2 3.53Å; E203-R323 PolarHBondContact OE1-NH2 3.38Å; E203-R323 IonicContact OE2-CZ 2.86Å; E203-R323 IonicContact OE2-NH1 3.46Å; E203-R323 IonicContact OE2-NH2 3.85Å; E203-R323 PolarHBondContact OE2-NH2 3.48Å
204L91.1Very high85.8Confident5 Ų535.4 Ų35.43%0.02617%0.174CC..Hα-helixtrans-72.8-32.8175.3-73178.3000112.3R200 A201 P202 G207 Y211 I215R200-L204 HydrophobicContact CG-CB 3.79Å; R200-L204 HydrophobicContact CG-CD1 3.78Å; R200-L204 HydrophobicContact CG-CG 4.47Å; A201-L204 WeakPolarHBondContact O-CB 3.46Å; A201-L204 PolarHBondContact O-N 2.93Å; P202-L204 VanDerWaalsContact C-N 3.26Å; P202-L204 PolarHBondContact O-N 2.85Å; L204-G207 PolarHBondContact O-N 3.47Å; L204-Y211 HydrophobicContact CD1-CD1 4.32Å; L204-Y211 HydrophobicContact CD1-CE1 3.74Å; L204-Y211 HydrophobicContact CD2-CD1 4.42Å; L204-Y211 HydrophobicContact CD2-CE1 4.15Å; L204-I215 HydrophobicContact CD1-CD1 3.9Å; L204-I215 HydrophobicContact CD1-CG1 4.28Å; L204-I215 HydrophobicContact CD1-CG2 3.67Å; L204-I215 HydrophobicContact CD2-CD1 3.8Å; L204-I215 HydrophobicContact CG-CD1 3.75Å; L204-I215 HydrophobicContact CG-CG1 4.24Å
205L91.4Very high87.4Confident0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-71.9-20.7173.8-55.9176.6000111.6R200 A201 P202 G207 P246 F247 H248 Q251 L252 I255R200-L205 HydrophobicContact CB-CD2 4.28Å; R200-L205 HydrophobicContact CG-CD2 3.97Å; R200-L205 HydrophobicContact CG-CG 4.38Å; A201-L205 PolarHBondContact O-N 3Å; P202-L205 CarbonylContact O-C 3.27Å; P202-L205 WeakPolarHBondContact O-CB 3.44Å; P202-L205 PolarHBondContact O-N 3.11Å; P202-L205 VanDerWaalsContact O-N 3.1Å; L205-G207 VanDerWaalsContact C-N 3.35Å; L205-P246 WeakPolarHBondContact CA-O 3.43Å; L205-F247 WeakPolarHBondContact O-CA 3.49Å; L205-H248 HydrophobicContact CD2-CB 4.19Å; L205-Q251 HydrophobicContact CD1-CB 4.23Å; L205-Q251 HydrophobicContact CD1-CG 3.63Å; L205-Q251 HydrophobicContact CD2-CG 4.28Å; L205-L252 HydrophobicContact CB-CD1 4.24Å; L205-L252 HydrophobicContact CB-CD2 3.89Å; L205-L252 HydrophobicContact CB-CG 3.94Å; L205-L252 HydrophobicContact CD1-CD2 3.94Å; L205-L252 HydrophobicContact CD1-CG 4.04Å; L205-I255 HydrophobicContact CD1-CD1 3.57Å
206L93.1Very high89.3Confident1 Ų130.5 Ų30.51%0.00514%0.144CC..THydrogen-bonded Turntrans-95.613.1174.7-63174.6000113.2P202 E203 F247 L252 W267 I270 M273 P274 E275 L279P202-L206 WeakPolarHBondContact O-CG 3.41Å; P202-L206 PolarHBondContact O-N 3.08Å; E203-L206 CarbonylContact O-C 3.54Å; E203-L206 PolarHBondContact O-N 3.26Å; L206-F247 HydrophobicContact CD2-CD2 4.49Å; L206-F247 HydrophobicContact CD2-CE2 4.22Å; L206-L252 HydrophobicContact CD2-CD1 3.89Å; L206-L252 HydrophobicContact CD2-CD2 4.45Å; L206-W267 HydrophobicContact CD1-CH2 3.73Å; L206-W267 HydrophobicContact CD1-CZ3 3.93Å; L206-I270 HydrophobicContact CD1-CD1 4.23Å; L206-I270 HydrophobicContact CD1-CG1 3.98Å; L206-M273 HydrophobicContact CB-CB 3.82Å; L206-M273 HydrophobicContact CB-CG 3.99Å; L206-M273 HydrophobicContact CB-SD 4.49Å; L206-M273 HydrophobicContact CD1-CG 4.23Å; L206-P274 WeakPolarHBondContact O-CD 3.34Å; L206-E275 WeakPolarHBondContact O-CB 3.5Å; L206-E275 PolarHBondContact O-N 3.39Å; L206-L279 HydrophobicContact CD1-CD2 4.28Å; L206-L279 HydrophobicContact CD2-CB 4.04Å; L206-L279 HydrophobicContact CD2-CD1 4.19Å; L206-L279 HydrophobicContact CD2-CD2 4Å; L206-L279 HydrophobicContact CD2-CG 4.3Å
207G88.8Confident90.8Very high9 Ų928 Ų289%0.09313%0.128CC..THydrogen-bonded Turntrans8617172.400000115.5E203 L204 L205 R209 P274E203-G207 PolarHBondContact O-N 2.92Å; L204-G207 PolarHBondContact O-N 3.47Å; L205-G207 VanDerWaalsContact C-N 3.35Å; G207-R209 PolarHBondContact O-N 3.08Å; G207-P274 WeakPolarHBondContact O-CG 3.18Å
208A88.1Confident91.7Very high20 Ų2027 Ų2717%0.16512%0.124CC..  trans-53.3129.4174.400000111.2L187 E203 M273L187-A208 WeakPolarHBondContact CD1-O 3.46Å; E203-A208 HydrophobicContact CB-CB 4.1Å; E203-A208 HydrophobicContact CG-CB 4.37Å; E203-A208 WeakPolarHBondContact O-CB 3.35Å; E203-A208 PolarHBondContact O-N 2.98Å; A208-M273 HydrophobicContact CB-SD 4.38Å
209R80.4Confident92Very high172 Ų17225.9 Ų25.965%0.64912%0.121SC*.  trans-91.71.7-173.7-63-174.2179.3-176-1114.4P186 L187 G207P186-R209 CarbonylContact C-O 3.55Å; L187-R209 VanDerWaalsContact CD1-O 3.32Å; L187-R209 WeakPolarHBondContact CD1-O 3.4Å; L187-R209 PolarHBondContact N-O 2.59Å; G207-R209 PolarHBondContact O-N 3.08Å
210H79.8Confident92.2Very high69 Ų6924.8 Ų24.832%0.31912%0.116SC..SBendtrans-130.7131.5-178.9-59.9-65.7000110.7L184 K185L184-H210 HydrophobicContact CB-CB 4.34Å; L184-H210 HydrophobicContact CD1-CB 4.19Å; L184-H210 PolarHBondContact O-CE1 3.29Å; K185-H210 PolarHBondContact O-ND1 3.1Å
211Y79.6Confident92.6Very high30 Ų3022.4 Ų22.412%0.11811%0.107CC..  trans-75.5138.2165.4-74.3-88.6000110.1L148 R150 L187 L204 I215L148-Y211 WeakPolarHBondContact CD1-O 3.43Å; R150-Y211 HydrophobicContact CB-CD1 3.98Å; R150-Y211 HydrophobicContact CB-CE1 3.95Å; R150-Y211 HydrophobicContact CG-CD1 3.62Å; R150-Y211 HydrophobicContact CG-CE1 4.09Å; R150-Y211 HydrophobicContact CG-CG 3.87Å; R150-Y211 VanDerWaalsContact NE-CE2 3.33Å; R150-Y211 PolarHBondContact NH2-OH 3.01Å; L187-Y211 HydrophobicContact CD1-CD2 4Å; L187-Y211 HydrophobicContact CD1-CE2 3.81Å; L187-Y211 HydrophobicContact CD2-CD2 4.43Å; L187-Y211 HydrophobicContact CD2-CE2 3.59Å; L187-Y211 HydrophobicContact CG-CD2 4.06Å; L187-Y211 HydrophobicContact CG-CE2 3.7Å; L204-Y211 HydrophobicContact CD1-CD1 4.32Å; L204-Y211 HydrophobicContact CD1-CE1 3.74Å; L204-Y211 HydrophobicContact CD2-CD1 4.42Å; L204-Y211 HydrophobicContact CD2-CE1 4.15Å; Y211-I215 HydrophobicContact CD1-CD1 3.67Å; Y211-I215 HydrophobicContact CD1-CG2 4.28Å; Y211-I215 HydrophobicContact CE1-CD1 4.45Å; Y211-I215 HydrophobicContact CG-CD1 4.22Å
212T89.5Confident92.7Very high46 Ų4622.5 Ų22.528%0.28211%0.108SC..  trans-131163.9179.567.60000109.5A214 I215T212-A214 PolarHBondContact O-N 3.38Å; T212-A214 PolarHBondContact OG1-N 3.32Å; T212-I215 PolarHBondContact O-N 3.3Å; T212-I215 VanDerWaalsContact O-N 3.17Å
213K94.4Very high92.9Very high84 Ų8422.5 Ų22.537%0.36511%0.108SC..Hα-helixtrans-53.7-36.6171.3-65.7-177.2179-172.90111.9H143 L148 F180 I215 D216 I217H143-K213 HydrophobicContact CB-CD 3.93Å; H143-K213 HydrophobicContact CB-CG 4.3Å; H143-K213 PolarHBondContact CE1-O 3.02Å; H143-K213 VanDerWaalsContact O-CE 3.22Å; H143-K213 WeakPolarHBondContact O-CE 3.21Å; H143-K213 PolarHBondContact O-NZ 3.11Å; L148-K213 HydrophobicContact CD2-CB 4.37Å; L148-K213 HydrophobicContact CD2-CG 3.76Å; F180-K213 HydrophobicContact CZ-CD 4.47Å; K213-I215 PolarHBondContact O-N 2.96Å; K213-D216 PolarHBondContact O-N 3.37Å; K213-D216 VanDerWaalsContact O-N 3.16Å; K213-I217 WeakPolarHBondContact O-CG1 3.45Å; K213-I217 PolarHBondContact O-N 2.74Å
214A96.6Very high93Very high14 Ų1422.2 Ų22.212%0.11611%0.107CC..Hα-helixtrans-60.3-29.9-177.900000112.8T212 I217 W218 P320 R323T212-A214 PolarHBondContact O-N 3.38Å; T212-A214 PolarHBondContact OG1-N 3.32Å; A214-I217 PolarHBondContact O-N 2.95Å; A214-W218 PolarHBondContact O-N 3.39Å; A214-P320 HydrophobicContact CB-CB 3.9Å; A214-P320 WeakPolarHBondContact CB-O 3.44Å; A214-R323 VanDerWaalsContact O-CD 3.3Å; A214-R323 WeakPolarHBondContact O-CD 3.4Å; A214-R323 PolarHBondContact O-NH1 3.24Å
215I94.6Very high93.4Very high7 Ų722 Ų224%0.03611%0.105CC..Hα-helixtrans-65.8-44.1178.1-66.8165.6000110.9A201 E203 L204 Y211 T212 K213 I217 W218 A219A201-I215 HydrophobicContact CB-CB 4.47Å; A201-I215 HydrophobicContact CB-CG1 4.19Å; A201-I215 HydrophobicContact CB-CG2 4.36Å; E203-I215 HydrophobicContact CG-CG1 4.46Å; E203-I215 WeakPolarHBondContact OE1-CG1 3.22Å; L204-I215 HydrophobicContact CD1-CD1 3.9Å; L204-I215 HydrophobicContact CD1-CG1 4.28Å; L204-I215 HydrophobicContact CD1-CG2 3.67Å; L204-I215 HydrophobicContact CD2-CD1 3.8Å; L204-I215 HydrophobicContact CG-CD1 3.75Å; L204-I215 HydrophobicContact CG-CG1 4.24Å; Y211-I215 HydrophobicContact CD1-CD1 3.67Å; Y211-I215 HydrophobicContact CD1-CG2 4.28Å; Y211-I215 HydrophobicContact CE1-CD1 4.45Å; Y211-I215 HydrophobicContact CG-CD1 4.22Å; T212-I215 PolarHBondContact O-N 3.3Å; T212-I215 VanDerWaalsContact O-N 3.17Å; K213-I215 PolarHBondContact O-N 2.96Å; I215-I217 VanDerWaalsContact C-N 3.28Å; I215-I217 PolarHBondContact O-N 3.21Å; I215-W218 PolarHBondContact O-N 2.87Å; I215-A219 PolarHBondContact O-N 3.29Å; I215-A219 VanDerWaalsContact O-N 3.15Å
216D96.9Very high93.7Very high2 Ų222.2 Ų22.21%0.01111%0.106CC..Hα-helixtrans-62.7-39175.1-69.8-24.7000110.4I139 H143 H149 R150 L152 K213 W218 A219 I220I139-D216 HydrophobicContact CD1-CB 4.13Å; I139-D216 HydrophobicContact CG1-CB 4.08Å; H143-D216 IonicContact CD2-OD2 3.51Å; H143-D216 IonicContact CE1-OD2 3.88Å; H143-D216 IonicContact NE2-OD2 2.7Å; H143-D216 PolarHBondContact NE2-OD2 2.82Å; H149-D216 PolarHBondContact N-OD2 3.31Å; R150-D216 WeakPolarHBondContact CA-OD1 3.31Å; R150-D216 PolarHBondContact N-OD1 2.74Å; L152-D216 HydrophobicContact CD1-CB 3.81Å; K213-D216 PolarHBondContact O-N 3.37Å; K213-D216 VanDerWaalsContact O-N 3.16Å; D216-W218 PolarHBondContact O-N 2.91Å; D216-A219 PolarHBondContact O-N 3.38Å; D216-I220 WeakPolarHBondContact O-CG1 3.5Å; D216-I220 PolarHBondContact O-N 3.47Å
217I98.8Very high93.9Very high2 Ų222.2 Ų22.21%0.0111%0.107CC..Hα-helixtrans-63.5-40.7176.8-57.9-54000112.2K213 A214 I215 A219 I220 G221 L315 R323 I324K213-I217 WeakPolarHBondContact O-CG1 3.45Å; K213-I217 PolarHBondContact O-N 2.74Å; A214-I217 PolarHBondContact O-N 2.95Å; I215-I217 VanDerWaalsContact C-N 3.28Å; I215-I217 PolarHBondContact O-N 3.21Å; I217-A219 VanDerWaalsContact C-N 3.35Å; I217-A219 PolarHBondContact O-N 2.91Å; I217-I220 HydrophobicContact CD1-CD1 4.46Å; I217-I220 PolarHBondContact O-N 3.11Å; I217-G221 PolarHBondContact O-N 3.3Å; I217-L315 HydrophobicContact CG2-CB 4.46Å; I217-L315 HydrophobicContact CG2-CD2 3.49Å; I217-L315 VanDerWaalsContact CG2-CD2 3.49Å; I217-R323 HydrophobicContact CB-CG 4.45Å; I217-R323 HydrophobicContact CG2-CG 3.98Å; I217-I324 HydrophobicContact CG2-CG2 4.44Å; I217-I324 WeakPolarHBondContact CG2-O 3.45Å
218W98.7Very high94.3Very high0 Ų023.2 Ų23.20%011%0.109CC..Hα-helixtrans-60.1-46.1174.9175.2-87000111.4R200 A201 P202 A214 I215 D216 I220 G221 C222 F234 I255 L316 M318R200-W218 PolarHBondContact O-NE1 2.83Å; R200-W218 VanDerWaalsContact O-NE1 3.16Å; A201-W218 HydrophobicContact CB-CB 3.79Å; A201-W218 HydrophobicContact CB-CD2 4.31Å; A201-W218 HydrophobicContact CB-CG 3.68Å; P202-W218 HydrophobicContact CG-CH2 4.13Å; P202-W218 HydrophobicContact CG-CZ2 4.39Å; P202-W218 HydrophobicContact CG-CZ3 4.19Å; A214-W218 PolarHBondContact O-N 3.39Å; I215-W218 PolarHBondContact O-N 2.87Å; D216-W218 PolarHBondContact O-N 2.91Å; W218-I220 VanDerWaalsContact C-N 3.29Å; W218-I220 PolarHBondContact O-N 2.79Å; W218-G221 WeakPolarHBondContact O-CA 3.3Å; W218-G221 PolarHBondContact O-N 3.43Å; W218-G221 VanDerWaalsContact O-N 3.1Å; W218-C222 PolarHBondContact NE1-SG 3.05Å; W218-C222 VanDerWaalsContact NE1-SG 3.41Å; W218-C222 PolarHBondContact O-N 3.32Å; W218-C222 PolarHBondContact O-SG 2.96Å; W218-F234 AromaticContact CE2-CE2 3.82Å; W218-F234 HydrophobicContact CH2-CE2 4.03Å; W218-F234 AromaticContact CH2-CZ 3.97Å; W218-F234 HydrophobicContact CH2-CZ 3.97Å; W218-F234 HydrophobicContact CZ2-CD2 4.02Å; W218-F234 AromaticContact CZ2-CE2 3.29Å; W218-F234 HydrophobicContact CZ2-CE2 3.29Å; W218-F234 AromaticContact CZ2-CZ 3.67Å; W218-F234 HydrophobicContact CZ2-CZ 3.67Å; W218-I255 HydrophobicContact CH2-CG2 4.24Å; W218-I255 HydrophobicContact CZ2-CD1 4.24Å; W218-I255 HydrophobicContact CZ2-CG1 4.43Å; W218-I255 HydrophobicContact CZ2-CG2 4.34Å; W218-L316 HydrophobicContact CD2-CD2 4.05Å; W218-L316 HydrophobicContact CE3-CD2 4.06Å; W218-L316 HydrophobicContact CH2-CD2 4.47Å; W218-L316 HydrophobicContact CZ2-CD2 4.45Å; W218-L316 HydrophobicContact CZ3-CB 4.37Å; W218-L316 HydrophobicContact CZ3-CD2 4.28Å; W218-L316 WeakPolarHBondContact CZ3-O 3.29Å; W218-M318 HydrophobicContact CH2-CG 4.43Å; W218-M318 HydrophobicContact CZ3-CG 4.37Å
219A98.2Very high94.6Very high4 Ų422.6 Ų22.63%0.03310%0.104CC..Hα-helixtrans-60-39.517700000111.8L152 I215 D216 I217 C222 I223L152-A219 HydrophobicContact CB-CB 3.75Å; I215-A219 PolarHBondContact O-N 3.29Å; I215-A219 VanDerWaalsContact O-N 3.15Å; D216-A219 PolarHBondContact O-N 3.38Å; I217-A219 VanDerWaalsContact C-N 3.35Å; I217-A219 PolarHBondContact O-N 2.91Å; A219-C222 WeakPolarHBondContact O-CB 3.33Å; A219-C222 PolarHBondContact O-N 3.28Å; A219-I223 WeakPolarHBondContact O-CG1 3.38Å; A219-I223 PolarHBondContact O-N 3.34Å
220I98.8Very high95.3Very high0 Ų014.7 Ų14.70%08%0.075CC..Hα-helixtrans-63.9-41.5173.5-67.5168.2000111.4L132 I135 L136 I139 L152 D216 I217 W218 C222 I223 F224L132-I220 HydrophobicContact CD1-CG2 3.62Å; I135-I220 HydrophobicContact CG2-CD1 3.94Å; I135-I220 HydrophobicContact CG2-CG1 3.81Å; I135-I220 HydrophobicContact CG2-CG2 4.27Å; L136-I220 HydrophobicContact CD2-CD1 4.31Å; L136-I220 HydrophobicContact CD2-CG2 4.06Å; L136-I220 HydrophobicContact CG-CG2 4.45Å; I139-I220 HydrophobicContact CB-CD1 3.95Å; I139-I220 HydrophobicContact CG1-CD1 4.07Å; I139-I220 HydrophobicContact CG2-CD1 3.53Å; L152-I220 HydrophobicContact CD1-CD1 3.95Å; L152-I220 HydrophobicContact CD1-CG1 3.77Å; D216-I220 WeakPolarHBondContact O-CG1 3.5Å; D216-I220 PolarHBondContact O-N 3.47Å; I217-I220 HydrophobicContact CD1-CD1 4.46Å; I217-I220 PolarHBondContact O-N 3.11Å; W218-I220 VanDerWaalsContact C-N 3.29Å; W218-I220 PolarHBondContact O-N 2.79Å; I220-C222 VanDerWaalsContact C-N 3.28Å; I220-C222 PolarHBondContact O-N 3.39Å; I220-I223 PolarHBondContact O-N 2.94Å; I220-F224 WeakPolarHBondContact O-CB 3.46Å; I220-F224 PolarHBondContact O-N 3.45Å
221G98.9Very high95.9Very high0 Ų014.6 Ų14.60%08%0.075CC..Hα-helixtrans-58.4-40.2172.300000112.5I217 W218 F224 A225 L312I217-G221 PolarHBondContact O-N 3.3Å; W218-G221 WeakPolarHBondContact O-CA 3.3Å; W218-G221 PolarHBondContact O-N 3.43Å; W218-G221 VanDerWaalsContact O-N 3.1Å; G221-F224 PolarHBondContact O-N 3.17Å; G221-A225 PolarHBondContact O-N 3.39Å; G221-L312 WeakPolarHBondContact O-CD1 2.98Å
222C98.8Very high96.6Very high1 Ų113.6 Ų13.61%0.0077%0.072CC..Hα-helixtrans-64.5-46.4175.7-62.20000111.7Y199 W218 A219 I220 F224 A225 E226 I233 F234Y199-C222 HydrophobicContact CD1-CB 3.63Å; Y199-C222 HydrophobicContact CE1-CB 4.28Å; W218-C222 PolarHBondContact NE1-SG 3.05Å; W218-C222 VanDerWaalsContact NE1-SG 3.41Å; W218-C222 PolarHBondContact O-N 3.32Å; W218-C222 PolarHBondContact O-SG 2.96Å; A219-C222 WeakPolarHBondContact O-CB 3.33Å; A219-C222 PolarHBondContact O-N 3.28Å; I220-C222 VanDerWaalsContact C-N 3.28Å; I220-C222 PolarHBondContact O-N 3.39Å; C222-F224 VanDerWaalsContact C-N 3.31Å; C222-F224 PolarHBondContact O-N 3.16Å; C222-A225 PolarHBondContact O-N 3.15Å; C222-E226 WeakPolarHBondContact O-CB 3.44Å; C222-E226 PolarHBondContact O-N 3.45Å; C222-I233 HydrophobicContact CB-CG2 4.22Å; C222-F234 VanDerWaalsContact SG-CD2 3.55Å; C222-F234 WeakPolarHBondContact SG-CE2 3.39Å
223I98.7Very high97Very high1 Ų111.5 Ų11.51%0.0056%0.059CC..Hα-helixtrans-60.9-42.2175.6-67164.1000110.3L104 I135 L152 P154 I157 Y199 A219 I220 E226 L227L104-I223 HydrophobicContact CD1-CG2 3.75Å; I135-I223 HydrophobicContact CD1-CG2 4.29Å; L152-I223 HydrophobicContact CB-CD1 4.45Å; P154-I223 HydrophobicContact CG-CG1 4.29Å; I157-I223 HydrophobicContact CG1-CD1 4.18Å; Y199-I223 HydrophobicContact CD1-CG1 4.12Å; Y199-I223 HydrophobicContact CE1-CG1 4.16Å; A219-I223 WeakPolarHBondContact O-CG1 3.38Å; A219-I223 PolarHBondContact O-N 3.34Å; I220-I223 PolarHBondContact O-N 2.94Å; I223-E226 PolarHBondContact O-N 2.68Å; I223-L227 HydrophobicContact CG2-CD1 4.12Å; I223-L227 HydrophobicContact CG2-CG 4.37Å; I223-L227 WeakPolarHBondContact O-CG 3.26Å; I223-L227 PolarHBondContact O-N 3.22Å
224F98.8Very high97.1Very high0 Ų07.6 Ų7.60%04%0.042CC..Hα-helixtrans-63.5-46.6179.2-176.2-149.9000111.9V128 L132 I220 G221 C222 E226 L227 L228 V308 L311 L312 L315 Y334V128-F224 HydrophobicContact CG1-CD2 4.04Å; V128-F224 HydrophobicContact CG1-CE2 3.8Å; L132-F224 HydrophobicContact CB-CD2 4.44Å; L132-F224 HydrophobicContact CD1-CB 4.04Å; L132-F224 HydrophobicContact CD1-CD2 4.45Å; L132-F224 HydrophobicContact CD1-CG 4.13Å; L132-F224 HydrophobicContact CD2-CD1 3.75Å; L132-F224 HydrophobicContact CD2-CD2 3.79Å; L132-F224 HydrophobicContact CD2-CE1 3.67Å; L132-F224 HydrophobicContact CD2-CE2 3.72Å; L132-F224 HydrophobicContact CD2-CG 3.8Å; L132-F224 HydrophobicContact CD2-CZ 3.65Å; L132-F224 HydrophobicContact CG-CD2 4.44Å; L132-F224 HydrophobicContact CG-CG 4.48Å; I220-F224 WeakPolarHBondContact O-CB 3.46Å; I220-F224 PolarHBondContact O-N 3.45Å; G221-F224 PolarHBondContact O-N 3.17Å; C222-F224 VanDerWaalsContact C-N 3.31Å; C222-F224 PolarHBondContact O-N 3.16Å; F224-E226 VanDerWaalsContact C-N 3.26Å; F224-E226 PolarHBondContact O-N 2.91Å; F224-L227 PolarHBondContact O-N 2.74Å; F224-L228 HydrophobicContact CD2-CD1 4.06Å; F224-L228 HydrophobicContact CD2-CG 4.1Å; F224-L228 HydrophobicContact CE1-CD1 4.37Å; F224-L228 HydrophobicContact CE2-CD1 3.85Å; F224-L228 HydrophobicContact CE2-CD2 4.07Å; F224-L228 HydrophobicContact CE2-CG 3.95Å; F224-L228 HydrophobicContact CG-CD1 4.42Å; F224-L228 HydrophobicContact CZ-CD1 4.03Å; F224-L228 VanDerWaalsContact O-CG 3.28Å; F224-L228 WeakPolarHBondContact O-CG 3.39Å; F224-L228 PolarHBondContact O-N 3.13Å; F224-L228 VanDerWaalsContact O-N 3.07Å; F224-V308 HydrophobicContact CE1-CG1 4.49Å; F224-V308 WeakPolarHBondContact CE1-O 3.29Å; F224-V308 HydrophobicContact CE2-CG1 4.36Å; F224-V308 HydrophobicContact CZ-CG1 3.76Å; F224-L311 HydrophobicContact CE1-CD2 4.44Å; F224-L311 HydrophobicContact CE1-CG 4.39Å; F224-L312 HydrophobicContact CB-CD1 4.18Å; F224-L312 HydrophobicContact CD1-CB 3.86Å; F224-L312 HydrophobicContact CD1-CD1 3.7Å; F224-L312 HydrophobicContact CD1-CG 4.35Å; F224-L312 HydrophobicContact CE1-CB 3.86Å; F224-L312 HydrophobicContact CG-CD1 4.25Å; F224-L315 HydrophobicContact CD1-CD1 3.94Å; F224-Y334 HydrophobicContact CE2-CE1 4.37Å; F224-Y334 AromaticContact CZ-CE1 3.95Å; F224-Y334 HydrophobicContact CZ-CE1 3.95Å
225A98.5Very high96.9Very high0 Ų09.7 Ų9.70%05%0.049CC..Hα-helixtrans-59-39.1173.100000112.1G221 C222 L228 T229 I233 L312G221-A225 PolarHBondContact O-N 3.39Å; C222-A225 PolarHBondContact O-N 3.15Å; A225-L228 PolarHBondContact O-N 2.91Å; A225-T229 WeakPolarHBondContact O-CB 3.42Å; A225-T229 WeakPolarHBondContact O-CG2 3.39Å; A225-T229 PolarHBondContact O-N 3.26Å; A225-T229 PolarHBondContact O-OG1 3.48Å; A225-I233 HydrophobicContact CB-CB 3.81Å; A225-I233 HydrophobicContact CB-CD1 3.7Å; A225-I233 HydrophobicContact CB-CG1 4.34Å; A225-I233 HydrophobicContact CB-CG2 3.87Å; A225-L312 HydrophobicContact CB-CD1 3.99Å; A225-L312 HydrophobicContact CB-CD2 4.11Å
226E97.9Very high96.4Very high4 Ų410.1 Ų10.12%0.0195%0.052CC..Hα-helixtrans-69-37.8178.2-170.8170.4-172.800112.4I108 R112 Y199 C222 I223 F224 L228 T229 S230 E231 P232I108-E226 HydrophobicContact CD1-CB 4.5Å; I108-E226 HydrophobicContact CD1-CG 3.91Å; I108-E226 HydrophobicContact CG2-CG 3.9Å; R112-E226 IonicContact NH2-OE1 3.01Å; R112-E226 PolarHBondContact NH2-OE1 3.2Å; Y199-E226 WeakPolarHBondContact CE1-OE2 3.24Å; Y199-E226 PolarHBondContact OH-OE2 3.16Å; C222-E226 WeakPolarHBondContact O-CB 3.44Å; C222-E226 PolarHBondContact O-N 3.45Å; I223-E226 PolarHBondContact O-N 2.68Å; F224-E226 VanDerWaalsContact C-N 3.26Å; F224-E226 PolarHBondContact O-N 2.91Å; E226-L228 VanDerWaalsContact C-N 3.3Å; E226-L228 PolarHBondContact O-N 3.44Å; E226-T229 PolarHBondContact O-N 3.48Å; E226-S230 WeakPolarHBondContact O-CA 3.4Å; E226-S230 PolarHBondContact O-N 2.85Å; E226-E231 WeakPolarHBondContact CA-O 3.34Å; E226-P232 WeakPolarHBondContact OE1-CG 3.32Å
227L97.7Very high95Very high2 Ų220.4 Ų20.41%0.019%0.091CC..Hα-helixtrans-62.4-38.1172.6-71.8170.4000112L104 I108 L123 V128 L131 I223 F224L104-L227 HydrophobicContact CD1-CD1 4.27Å; L104-L227 HydrophobicContact CD1-CD2 4.23Å; L104-L227 HydrophobicContact CD2-CD2 4.08Å; I108-L227 HydrophobicContact CD1-CD2 4.01Å; I108-L227 HydrophobicContact CD1-CG 4.5Å; I108-L227 HydrophobicContact CG1-CD2 4Å; L123-L227 HydrophobicContact CD2-CD2 3.57Å; V128-L227 HydrophobicContact CG1-CB 3.88Å; V128-L227 HydrophobicContact CG1-CD1 4.47Å; V128-L227 HydrophobicContact CG2-CB 4.24Å; L131-L227 HydrophobicContact CB-CD1 4.2Å; L131-L227 HydrophobicContact CD1-CD1 4.29Å; L131-L227 HydrophobicContact CD1-CD2 3.92Å; I223-L227 HydrophobicContact CG2-CD1 4.12Å; I223-L227 HydrophobicContact CG2-CG 4.37Å; I223-L227 WeakPolarHBondContact O-CG 3.26Å; I223-L227 PolarHBondContact O-N 3.22Å; F224-L227 PolarHBondContact O-N 2.74Å
228L96.5Very high93.2Very high29 Ų2924.6 Ų24.615%0.15211%0.111CC..Hα-helixtrans-71.5-34.2179.3-68170.1000113V128 F224 A225 E226 M297 V302 V308 L312V128-L228 HydrophobicContact CG1-CD2 4.01Å; V128-L228 HydrophobicContact CG1-CG 4.43Å; F224-L228 HydrophobicContact CD2-CD1 4.06Å; F224-L228 HydrophobicContact CD2-CG 4.1Å; F224-L228 HydrophobicContact CE1-CD1 4.37Å; F224-L228 HydrophobicContact CE2-CD1 3.85Å; F224-L228 HydrophobicContact CE2-CD2 4.07Å; F224-L228 HydrophobicContact CE2-CG 3.95Å; F224-L228 HydrophobicContact CG-CD1 4.42Å; F224-L228 HydrophobicContact CZ-CD1 4.03Å; F224-L228 VanDerWaalsContact O-CG 3.28Å; F224-L228 WeakPolarHBondContact O-CG 3.39Å; F224-L228 PolarHBondContact O-N 3.13Å; F224-L228 VanDerWaalsContact O-N 3.07Å; A225-L228 PolarHBondContact O-N 2.91Å; E226-L228 VanDerWaalsContact C-N 3.3Å; E226-L228 PolarHBondContact O-N 3.44Å; L228-M297 HydrophobicContact CB-CE 4.29Å; L228-M297 HydrophobicContact CD1-CE 3.96Å; L228-V302 HydrophobicContact CB-CG2 4.4Å; L228-V308 HydrophobicContact CD1-CG1 3.58Å; L228-V308 HydrophobicContact CD2-CG1 3.59Å; L228-V308 HydrophobicContact CG-CG1 4.24Å; L228-L312 HydrophobicContact CD1-CD2 4.21Å
229T94.6Very high91.1Very high7 Ų726.4 Ų26.44%0.04312%0.119CC..Hα-helixtrans-111-13.8-169.564.30000114.2A225 E226 E231 M297 H300A225-T229 WeakPolarHBondContact O-CB 3.42Å; A225-T229 WeakPolarHBondContact O-CG2 3.39Å; A225-T229 PolarHBondContact O-N 3.26Å; A225-T229 PolarHBondContact O-OG1 3.48Å; E226-T229 PolarHBondContact O-N 3.48Å; T229-E231 PolarHBondContact O-N 3.44Å; T229-E231 PolarHBondContact OG1-N 3.01Å; T229-E231 PolarHBondContact OG1-O 2.94Å; T229-M297 HydrophobicContact CG2-CE 3.99Å; T229-M297 HydrophobicContact CG2-SD 4.28Å; T229-H300 HydrophobicContact CG2-CB 3.58Å
230S94.7Very high88.9Confident6 Ų632.4 Ų32.44%0.04215%0.151CC..SBendtrans58.914.6-165.8-48.80000114.2R112 E226R112-S230 VanDerWaalsContact CZ-O 3.31Å; R112-S230 PolarHBondContact NE-O 2.76Å; R112-S230 PolarHBondContact NH2-O 2.81Å; E226-S230 WeakPolarHBondContact O-CA 3.4Å; E226-S230 PolarHBondContact O-N 2.85Å
231E92.9Very high86.8Confident68 Ų6834.3 Ų34.332%0.31816%0.161SC..SBendtrans-129.4136.7-176.7-69.8174.5-144.400110.1K115 E226 T229 I233 H300K115-E231 IonicContact NZ-OE1 3.84Å; K115-E231 PolarHBondContact NZ-OE1 2.84Å; E226-E231 WeakPolarHBondContact CA-O 3.34Å; T229-E231 PolarHBondContact O-N 3.44Å; T229-E231 PolarHBondContact OG1-N 3.01Å; T229-E231 PolarHBondContact OG1-O 2.94Å; E231-I233 PolarHBondContact O-N 3.27Å; E231-I233 VanDerWaalsContact O-N 3.12Å; E231-H300 IonicContact OE1-CE1 2.74Å; E231-H300 IonicContact OE2-CE1 2.74Å; E231-H300 PolarHBondContact OE2-CE1 3.13Å; E231-H300 VanDerWaalsContact OE2-CE1 3.32Å
232P95.1Very high84.6Confident9 Ų943.4 Ų43.46%0.05820%0.2CC..  trans-68.8118.2-179.4-5.123.2000107.7R112 W198 E226 F234 H235R112-P232 VanDerWaalsContact NH2-CD 3.28Å; W198-P232 HydrophobicContact CE3-CB 3.92Å; W198-P232 HydrophobicContact CE3-CG 4.04Å; W198-P232 HydrophobicContact CZ3-CB 4.42Å; W198-P232 HydrophobicContact CZ3-CG 4.02Å; E226-P232 WeakPolarHBondContact OE1-CG 3.32Å; P232-F234 PolarHBondContact O-N 3.5Å; P232-H235 HydrophobicContact CB-CB 4.02Å; P232-H235 HydrophobicContact CG-CB 4.11Å; P232-H235 VanDerWaalsContact O-CB 3.31Å; P232-H235 WeakPolarHBondContact O-CB 3.33Å; P232-H235 PolarHBondContact O-N 2.91Å
233I97.5Very high82.6Confident2 Ų247 Ų471%0.0122%0.222CC..THydrogen-bonded Turntrans-55.4-41.8-171.1-178.4163.5000112C222 A225 E231 R254 V258 L293 Y296 L316C222-I233 HydrophobicContact CB-CG2 4.22Å; A225-I233 HydrophobicContact CB-CB 3.81Å; A225-I233 HydrophobicContact CB-CD1 3.7Å; A225-I233 HydrophobicContact CB-CG1 4.34Å; A225-I233 HydrophobicContact CB-CG2 3.87Å; E231-I233 PolarHBondContact O-N 3.27Å; E231-I233 VanDerWaalsContact O-N 3.12Å; I233-R254 PolarHBondContact O-NE 3.02Å; I233-R254 PolarHBondContact O-NH2 3.4Å; I233-V258 HydrophobicContact CD1-CG1 3.9Å; I233-V258 HydrophobicContact CG1-CG1 3.8Å; I233-L293 HydrophobicContact CD1-CD1 3.66Å; I233-Y296 HydrophobicContact CB-CE1 4.38Å; I233-Y296 HydrophobicContact CD1-CD1 4.1Å; I233-Y296 HydrophobicContact CD1-CE1 3.96Å; I233-Y296 HydrophobicContact CG1-CD1 4.21Å; I233-Y296 HydrophobicContact CG1-CE1 3.7Å; I233-L316 HydrophobicContact CD1-CD1 3.84Å
234F96.5Very high81Confident1 Ų152.7 Ų52.70%0.00426%0.262CS..THydrogen-bonded Turntrans-106.135.8178.1-48.6-56.3000113.3W218 C222 P232 C236 Q251 R254 I255 V258 M259 L316W218-F234 AromaticContact CE2-CE2 3.82Å; W218-F234 HydrophobicContact CH2-CE2 4.03Å; W218-F234 AromaticContact CH2-CZ 3.97Å; W218-F234 HydrophobicContact CH2-CZ 3.97Å; W218-F234 HydrophobicContact CZ2-CD2 4.02Å; W218-F234 AromaticContact CZ2-CE2 3.29Å; W218-F234 HydrophobicContact CZ2-CE2 3.29Å; W218-F234 AromaticContact CZ2-CZ 3.67Å; W218-F234 HydrophobicContact CZ2-CZ 3.67Å; C222-F234 VanDerWaalsContact SG-CD2 3.55Å; C222-F234 WeakPolarHBondContact SG-CE2 3.39Å; P232-F234 PolarHBondContact O-N 3.5Å; F234-C236 PolarHBondContact O-N 2.92Å; F234-Q251 PolarHBondContact O-NE2 2.85Å; F234-R254 HydrophobicContact CB-CG 4.23Å; F234-I255 HydrophobicContact CB-CG1 4.27Å; F234-I255 HydrophobicContact CD1-CB 4.32Å; F234-I255 HydrophobicContact CD1-CG1 3.82Å; F234-I255 HydrophobicContact CD2-CG1 4.31Å; F234-I255 HydrophobicContact CE1-CB 4.46Å; F234-I255 HydrophobicContact CE1-CG1 4.22Å; F234-I255 HydrophobicContact CE1-CG2 4.43Å; F234-I255 HydrophobicContact CG-CG1 3.87Å; F234-V258 HydrophobicContact CD1-CB 4.24Å; F234-V258 HydrophobicContact CD1-CG1 4.48Å; F234-V258 HydrophobicContact CD1-CG2 4.29Å; F234-V258 HydrophobicContact CE1-CB 3.89Å; F234-V258 HydrophobicContact CE1-CG1 3.84Å; F234-V258 HydrophobicContact CE1-CG2 4.41Å; F234-M259 HydrophobicContact CE1-CG 3.82Å; F234-M259 HydrophobicContact CE1-SD 4.1Å; F234-M259 HydrophobicContact CZ-CG 3.95Å; F234-M259 HydrophobicContact CZ-SD 3.9Å; F234-L316 HydrophobicContact CE2-CD2 4.05Å; F234-L316 HydrophobicContact CZ-CD1 4.31Å; F234-L316 HydrophobicContact CZ-CD2 4.43Å
235H91.9Very high79.9Confident58 Ų5855.9 Ų55.927%0.26928%0.279SS..  trans-55121.9174.2175.7-82.5000111.7W198 P232 R254W198-H235 AromaticContact CE2-CD2 3.98Å; W198-H235 AromaticContact CH2-CD2 3.61Å; W198-H235 AromaticContact CZ2-CD2 3.51Å; W198-H235 AromaticContact CZ2-NE2 3.82Å; P232-H235 HydrophobicContact CB-CB 4.02Å; P232-H235 HydrophobicContact CG-CB 4.11Å; P232-H235 VanDerWaalsContact O-CB 3.31Å; P232-H235 WeakPolarHBondContact O-CB 3.33Å; P232-H235 PolarHBondContact O-N 2.91Å; H235-R254 WeakPolarHBondContact O-CG 3.15Å
236C83.7Confident78.9Confident16 Ų1657.8 Ų57.811%0.10829%0.291CS..  trans-124.9136.4175.5-178.80000109.8W198 F234 Q238 D250W198-C236 VanDerWaalsContact NE1-N 3.17Å; W198-C236 PolarHBondContact NE1-O 3.38Å; F234-C236 PolarHBondContact O-N 2.92Å; C236-Q238 PolarHBondContact O-N 3.1Å; C236-D250 VanDerWaalsContact SG-CB 3.58Å
237R67.9Low78.3Confident218 Ų21858.4 Ų58.482%0.82329%0.294SS*.  trans-75.518-170.3-77.4-173.2175.2-172-0.4115.2
238Q60.5Low77.8Confident90 Ų9058.5 Ų58.542%0.42129%0.294SS..  trans79.7127.7-173.1-59.6175.9-60.500114.1C236 I241 T373C236-Q238 PolarHBondContact O-N 3.1Å; Q238-I241 HydrophobicContact CB-CD1 4.48Å; Q238-I241 HydrophobicContact CG-CD1 4.23Å; Q238-T373 VanDerWaalsContact OE1-CG2 3.24Å
239E54.8Low77.6Confident39 Ų3960.3 Ų60.318%0.18230%0.302CS..  trans-84.2167155-68.5169.6-155.400108.8I241 H248 H249 D250 Q251E239-I241 VanDerWaalsContact C-N 3.31Å; E239-I241 WeakPolarHBondContact O-CG1 3.21Å; E239-I241 PolarHBondContact O-N 2.97Å; E239-H248 WeakPolarHBondContact OE1-CA 3.12Å; E239-H248 WeakPolarHBondContact OE1-CB 3.3Å; E239-H248 WeakPolarHBondContact OE2-CA 3.36Å; E239-H248 WeakPolarHBondContact OE2-CB 3.39Å; E239-H248 IonicContact OE2-CG 3.43Å; E239-H248 IonicContact OE2-ND1 3.64Å; E239-H248 PolarHBondContact OE2-ND1 2.94Å; E239-H248 VanDerWaalsContact OE2-ND1 3.09Å; E239-H249 PolarHBondContact OE1-N 3.4Å; E239-D250 HydrophobicContact CG-CB 3.79Å; E239-D250 WeakPolarHBondContact OE1-CA 3.35Å; E239-D250 WeakPolarHBondContact OE1-CB 3.36Å; E239-D250 PolarHBondContact OE1-N 3.49Å; E239-Q251 PolarHBondContact OE1-N 3.33Å
240D52.2Low77.3Confident130 Ų13063.5 Ų63.570%0.69532%0.319SS*.  trans-60.492.9165.5-81.9-49.6000110K242D240-K242 PolarHBondContact O-N 3.49Å
241I54.9Low77.2Confident40 Ų4063.4 Ų63.421%0.20532%0.318CS..THydrogen-bonded Turntrans-590.5179.1-66152.1000112.9V193 V195 F197 Q238 E239 T243V193-I241 HydrophobicContact CG1-CG2 4.16Å; V195-I241 HydrophobicContact CG1-CD1 4.05Å; F197-I241 HydrophobicContact CE2-CG1 4.26Å; Q238-I241 HydrophobicContact CB-CD1 4.48Å; Q238-I241 HydrophobicContact CG-CD1 4.23Å; E239-I241 VanDerWaalsContact C-N 3.31Å; E239-I241 WeakPolarHBondContact O-CG1 3.21Å; E239-I241 PolarHBondContact O-N 2.97Å; I241-T243 VanDerWaalsContact C-N 3.27Å; I241-T243 PolarHBondContact O-N 3.41Å
242K52.4Low77.3Confident190 Ų19060.2 Ų60.283%0.82630%0.303SS*.THydrogen-bonded Turntrans-73.6-12.9-175.8-64.5-177.5-178.71740114.1D240D240-K242 PolarHBondContact O-N 3.49Å
243T56.1Low77.3Confident78 Ų7862.6 Ų62.648%0.47932%0.315SS..  trans-96130.1179.771.70000110.7I241 N245I241-T243 VanDerWaalsContact C-N 3.27Å; I241-T243 PolarHBondContact O-N 3.41Å; T243-N245 PolarHBondContact O-N 3.35Å; T243-N245 VanDerWaalsContact O-N 3.08Å
244S65.3Low77.2Confident120 Ų12065.8 Ų65.884%0.83933%0.327SS*.  trans-707.917153.30000113.2
245N75.8Confident77.3Confident67 Ų6765.8 Ų65.836%0.35833%0.327SS..  trans-70.9127.9-180-173.6-3.7000109.2T243 F247 H248T243-N245 PolarHBondContact O-N 3.35Å; T243-N245 VanDerWaalsContact O-N 3.08Å; N245-F247 PolarHBondContact O-N 3.19Å; N245-F247 WeakPolarHBondContact OD1-CB 3.44Å; N245-F247 PolarHBondContact OD1-N 3.16Å; N245-H248 PolarHBondContact O-CE1 3.04Å; N245-H248 PolarHBondContact O-NE2 2.9Å
246P78.8Confident77.6Confident40 Ų4063 Ų6326%0.2631%0.314SS..SBendtrans-63-23.6172.725.7-36000113.8L205 H248L205-P246 WeakPolarHBondContact CA-O 3.43Å; P246-H248 PolarHBondContact O-CD2 2.94Å; P246-H248 PolarHBondContact O-N 3.27Å
247F85.7Confident78.2Confident16 Ų1664.3 Ų64.37%0.0732%0.323CS..  trans-77.8113.9-178.1-167.2-96.6000112.5L205 L206 N245 H249 L252 E275 T278 L279 F283L205-F247 WeakPolarHBondContact O-CA 3.49Å; L206-F247 HydrophobicContact CD2-CD2 4.49Å; L206-F247 HydrophobicContact CD2-CE2 4.22Å; N245-F247 PolarHBondContact O-N 3.19Å; N245-F247 WeakPolarHBondContact OD1-CB 3.44Å; N245-F247 PolarHBondContact OD1-N 3.16Å; F247-H249 HydrophobicContact CE1-CB 4.22Å; F247-L252 HydrophobicContact CD2-CD1 3.93Å; F247-L252 HydrophobicContact CE2-CD1 3.54Å; F247-L252 HydrophobicContact CZ-CD1 4.03Å; F247-E275 HydrophobicContact CB-CG 4.06Å; F247-E275 HydrophobicContact CD2-CB 3.61Å; F247-E275 HydrophobicContact CD2-CG 4.08Å; F247-E275 HydrophobicContact CE2-CB 4.24Å; F247-E275 HydrophobicContact CG-CB 4.44Å; F247-E275 HydrophobicContact CG-CG 4.5Å; F247-T278 HydrophobicContact CD1-CG2 3.85Å; F247-T278 HydrophobicContact CD2-CG2 4.29Å; F247-T278 HydrophobicContact CE1-CG2 3.53Å; F247-T278 HydrophobicContact CE2-CG2 4Å; F247-T278 HydrophobicContact CG-CG2 4.2Å; F247-T278 HydrophobicContact CZ-CG2 3.59Å; F247-L279 HydrophobicContact CE2-CB 4.45Å; F247-F283 AromaticContact CZ-CE2 3.92Å; F247-F283 HydrophobicContact CZ-CE2 3.92Å
248H87.1Confident79.6Confident4 Ų454 Ų542%0.01928%0.284CS..  trans-119.2102178-63.8-64.3000110.2F197 L205 E239 N245 P246 Q251 L252F197-H248 AromaticContact CE1-CD2 3.94Å; F197-H248 AromaticContact CE1-NE2 3.47Å; F197-H248 WeakPolarHBondContact CE1-NE2 3.45Å; F197-H248 AromaticContact CE2-CD2 3.96Å; F197-H248 AromaticContact CE2-CE1 3.5Å; F197-H248 VanDerWaalsContact CE2-CE1 3.5Å; F197-H248 WeakPolarHBondContact CE2-CE1 3.34Å; F197-H248 AromaticContact CE2-ND1 3.82Å; F197-H248 AromaticContact CE2-NE2 3.56Å; F197-H248 AromaticContact CZ-CD2 3.9Å; F197-H248 AromaticContact CZ-CE1 3.47Å; F197-H248 VanDerWaalsContact CZ-CE1 3.47Å; F197-H248 WeakPolarHBondContact CZ-CE1 3.27Å; F197-H248 AromaticContact CZ-NE2 3.19Å; F197-H248 WeakPolarHBondContact CZ-NE2 3.44Å; L205-H248 HydrophobicContact CD2-CB 4.19Å; E239-H248 WeakPolarHBondContact OE1-CA 3.12Å; E239-H248 WeakPolarHBondContact OE1-CB 3.3Å; E239-H248 WeakPolarHBondContact OE2-CA 3.36Å; E239-H248 WeakPolarHBondContact OE2-CB 3.39Å; E239-H248 IonicContact OE2-CG 3.43Å; E239-H248 IonicContact OE2-ND1 3.64Å; E239-H248 PolarHBondContact OE2-ND1 2.94Å; E239-H248 VanDerWaalsContact OE2-ND1 3.09Å; N245-H248 PolarHBondContact O-CE1 3.04Å; N245-H248 PolarHBondContact O-NE2 2.9Å; P246-H248 PolarHBondContact O-CD2 2.94Å; P246-H248 PolarHBondContact O-N 3.27Å; H248-Q251 HydrophobicContact CB-CB 3.87Å; H248-L252 PolarHBondContact O-N 3.22Å; H248-L252 VanDerWaalsContact O-N 3.07Å
249H90.5Very high81.4Confident68 Ų6851 Ų5132%0.31527%0.271SS..Hα-helixtrans-60.7-56.7-171.9173.8-82.2000113E239 F247 Q251 L252 D253 F283E239-H249 PolarHBondContact OE1-N 3.4Å; F247-H249 HydrophobicContact CE1-CB 4.22Å; H249-Q251 PolarHBondContact O-N 3.2Å; H249-L252 PolarHBondContact O-N 3.19Å; H249-L252 VanDerWaalsContact O-N 3.11Å; H249-D253 PolarHBondContact O-N 2.97Å; H249-F283 AromaticContact CD2-CE2 3.58Å; H249-F283 AromaticContact CD2-CZ 3.46Å; H249-F283 VanDerWaalsContact CD2-CZ 3.46Å; H249-F283 WeakPolarHBondContact CD2-CZ 3.49Å; H249-F283 AromaticContact CG-CZ 3.99Å; H249-F283 AromaticContact NE2-CE2 4Å; H249-F283 AromaticContact NE2-CZ 3.62Å; H249-F283 WeakPolarHBondContact O-CZ 3.31Å
250D90Very high83.5Confident74 Ų7449.5 Ų49.540%0.39627%0.266SS..Hα-helixtrans-66.1-30.6-176.7-60.1-17000111.4C236 E239 R254C236-D250 VanDerWaalsContact SG-CB 3.58Å; E239-D250 HydrophobicContact CG-CB 3.79Å; E239-D250 WeakPolarHBondContact OE1-CA 3.35Å; E239-D250 WeakPolarHBondContact OE1-CB 3.36Å; E239-D250 PolarHBondContact OE1-N 3.49Å; D250-R254 WeakPolarHBondContact O-CB 3.39Å; D250-R254 PolarHBondContact O-N 3.37Å
251Q91.9Very high85.6Confident4 Ų445.1 Ų45.12%0.01924%0.241CC..Hα-helixtrans-67-42.6172.7-171.360.473.500112.2F197 L205 F234 E239 H248 H249 R254 I255F197-Q251 HydrophobicContact CB-CG 3.88Å; L205-Q251 HydrophobicContact CD1-CB 4.23Å; L205-Q251 HydrophobicContact CD1-CG 3.63Å; L205-Q251 HydrophobicContact CD2-CG 4.28Å; F234-Q251 PolarHBondContact O-NE2 2.85Å; E239-Q251 PolarHBondContact OE1-N 3.33Å; H248-Q251 HydrophobicContact CB-CB 3.87Å; H249-Q251 PolarHBondContact O-N 3.2Å; Q251-R254 PolarHBondContact O-N 2.81Å; Q251-I255 WeakPolarHBondContact O-CG1 3.29Å; Q251-I255 PolarHBondContact O-N 3.47Å; Q251-I255 VanDerWaalsContact O-N 3.08Å
252L94.4Very high87.6Confident0 Ų043.4 Ų43.40%023%0.232CC..Hα-helixtrans-67.2-43.4174.6-79.3169.1000111.7L205 L206 F247 H248 H249 R254 I255 F256 F283L205-L252 HydrophobicContact CB-CD1 4.24Å; L205-L252 HydrophobicContact CB-CD2 3.89Å; L205-L252 HydrophobicContact CB-CG 3.94Å; L205-L252 HydrophobicContact CD1-CD2 3.94Å; L205-L252 HydrophobicContact CD1-CG 4.04Å; L206-L252 HydrophobicContact CD2-CD1 3.89Å; L206-L252 HydrophobicContact CD2-CD2 4.45Å; F247-L252 HydrophobicContact CD2-CD1 3.93Å; F247-L252 HydrophobicContact CE2-CD1 3.54Å; F247-L252 HydrophobicContact CZ-CD1 4.03Å; H248-L252 PolarHBondContact O-N 3.22Å; H248-L252 VanDerWaalsContact O-N 3.07Å; H249-L252 PolarHBondContact O-N 3.19Å; H249-L252 VanDerWaalsContact O-N 3.11Å; L252-R254 VanDerWaalsContact C-N 3.26Å; L252-R254 PolarHBondContact O-N 3.27Å; L252-I255 WeakPolarHBondContact O-CB 3.36Å; L252-I255 PolarHBondContact O-N 3.11Å; L252-I255 VanDerWaalsContact O-N 3.07Å; L252-F256 HydrophobicContact CB-CD2 4.49Å; L252-F256 HydrophobicContact CB-CE2 3.94Å; L252-F256 HydrophobicContact CB-CZ 4.42Å; L252-F256 HydrophobicContact CD2-CE2 4.32Å; L252-F256 HydrophobicContact CD2-CZ 3.95Å; L252-F256 WeakPolarHBondContact O-CD2 3.38Å; L252-F256 WeakPolarHBondContact O-CG 3.34Å; L252-F256 PolarHBondContact O-N 3.46Å; L252-F283 HydrophobicContact CB-CE1 4.44Å; L252-F283 HydrophobicContact CB-CE2 4.35Å; L252-F283 HydrophobicContact CB-CZ 3.87Å
253D95.2Very high89.7Confident59 Ų5935.7 Ų35.732%0.31620%0.203SC..Hα-helixtrans-54.5-45.9173.5-178.864.3000110.9H249 I255 F256 S257 F283 Y288H249-D253 PolarHBondContact O-N 2.97Å; D253-I255 PolarHBondContact O-N 3.02Å; D253-F256 PolarHBondContact O-N 3.42Å; D253-S257 WeakPolarHBondContact O-CB 3.11Å; D253-S257 PolarHBondContact O-N 3.27Å; D253-F283 HydrophobicContact CB-CE1 3.85Å; D253-F283 HydrophobicContact CB-CZ 4.36Å; D253-Y288 WeakPolarHBondContact OD1-CE1 3.42Å; D253-Y288 PolarHBondContact OD1-OH 2.93Å
254R96Very high91.5Very high70 Ų7035.2 Ų35.226%0.26420%0.198SC..Hα-helixtrans-60.9-44.7176.2179.359.7-171.8178-2.3111.9I233 F234 H235 D250 Q251 L252 S257 V258I233-R254 PolarHBondContact O-NE 3.02Å; I233-R254 PolarHBondContact O-NH2 3.4Å; F234-R254 HydrophobicContact CB-CG 4.23Å; H235-R254 WeakPolarHBondContact O-CG 3.15Å; D250-R254 WeakPolarHBondContact O-CB 3.39Å; D250-R254 PolarHBondContact O-N 3.37Å; Q251-R254 PolarHBondContact O-N 2.81Å; L252-R254 VanDerWaalsContact C-N 3.26Å; L252-R254 PolarHBondContact O-N 3.27Å; R254-S257 PolarHBondContact O-N 2.78Å; R254-S257 PolarHBondContact O-OG 2.94Å; R254-V258 WeakPolarHBondContact O-CG2 3.39Å; R254-V258 PolarHBondContact O-N 3.28Å
255I97.6Very high92.9Very high0 Ų036.9 Ų36.90%019%0.19CC..Hα-helixtrans-59.2-48.8176.4-69.6167.1000110.3P202 L205 W218 F234 Q251 L252 D253 S257 V258 M259P202-I255 HydrophobicContact CB-CD1 4.48Å; L205-I255 HydrophobicContact CD1-CD1 3.57Å; W218-I255 HydrophobicContact CH2-CG2 4.24Å; W218-I255 HydrophobicContact CZ2-CD1 4.24Å; W218-I255 HydrophobicContact CZ2-CG1 4.43Å; W218-I255 HydrophobicContact CZ2-CG2 4.34Å; F234-I255 HydrophobicContact CB-CG1 4.27Å; F234-I255 HydrophobicContact CD1-CB 4.32Å; F234-I255 HydrophobicContact CD1-CG1 3.82Å; F234-I255 HydrophobicContact CD2-CG1 4.31Å; F234-I255 HydrophobicContact CE1-CB 4.46Å; F234-I255 HydrophobicContact CE1-CG1 4.22Å; F234-I255 HydrophobicContact CE1-CG2 4.43Å; F234-I255 HydrophobicContact CG-CG1 3.87Å; Q251-I255 WeakPolarHBondContact O-CG1 3.29Å; Q251-I255 PolarHBondContact O-N 3.47Å; Q251-I255 VanDerWaalsContact O-N 3.08Å; L252-I255 WeakPolarHBondContact O-CB 3.36Å; L252-I255 PolarHBondContact O-N 3.11Å; L252-I255 VanDerWaalsContact O-N 3.07Å; D253-I255 PolarHBondContact O-N 3.02Å; I255-S257 PolarHBondContact O-N 3.19Å; I255-V258 PolarHBondContact O-N 3.13Å; I255-M259 HydrophobicContact CG2-CG 4.04Å; I255-M259 WeakPolarHBondContact O-CB 3.48Å; I255-M259 WeakPolarHBondContact O-CG 3.08Å; I255-M259 PolarHBondContact O-N 3.23Å
256F98Very high93.8Very high1 Ų137.3 Ų37.30%0.00419%0.192CC..Hα-helixtrans-68.8-33.1-178.5-57-39.6000113.2L252 D253 V258 G260 F261 P262 L279 F283 Y288 S291 M318L252-F256 HydrophobicContact CB-CD2 4.49Å; L252-F256 HydrophobicContact CB-CE2 3.94Å; L252-F256 HydrophobicContact CB-CZ 4.42Å; L252-F256 HydrophobicContact CD2-CE2 4.32Å; L252-F256 HydrophobicContact CD2-CZ 3.95Å; L252-F256 WeakPolarHBondContact O-CD2 3.38Å; L252-F256 WeakPolarHBondContact O-CG 3.34Å; L252-F256 PolarHBondContact O-N 3.46Å; D253-F256 PolarHBondContact O-N 3.42Å; F256-V258 PolarHBondContact O-N 2.82Å; F256-G260 WeakPolarHBondContact O-CA 3.43Å; F256-G260 PolarHBondContact O-N 2.89Å; F256-F261 HydrophobicContact CD1-CD2 4.33Å; F256-F261 HydrophobicContact CD2-CD2 4.02Å; F256-F261 HydrophobicContact CD2-CE2 4.38Å; F256-F261 HydrophobicContact CE1-CD2 4.44Å; F256-F261 HydrophobicContact CE2-CD2 4.14Å; F256-F261 HydrophobicContact CE2-CE2 4.07Å; F256-F261 HydrophobicContact CG-CD2 4.13Å; F256-F261 HydrophobicContact CZ-CD2 4.35Å; F256-F261 HydrophobicContact CZ-CE2 4.24Å; F256-P262 HydrophobicContact CE1-CG 4.48Å; F256-L279 HydrophobicContact CE2-CD1 3.63Å; F256-L279 HydrophobicContact CZ-CD1 3.73Å; F256-F283 AromaticContact CD2-CD1 3.64Å; F256-F283 HydrophobicContact CD2-CD1 3.64Å; F256-F283 AromaticContact CD2-CE1 3.86Å; F256-F283 HydrophobicContact CD2-CE1 3.86Å; F256-F283 HydrophobicContact CD2-CG 4.32Å; F256-F283 AromaticContact CE2-CD1 3.83Å; F256-F283 HydrophobicContact CE2-CD1 3.83Å; F256-F283 HydrophobicContact CE2-CE1 4.06Å; F256-F283 HydrophobicContact CE2-CG 4.09Å; F256-F283 HydrophobicContact CE2-CZ 4.48Å; F256-Y288 VanDerWaalsContact C-CD1 3.5Å; F256-Y288 HydrophobicContact CB-CD1 3.62Å; F256-Y288 HydrophobicContact CB-CD2 3.9Å; F256-Y288 HydrophobicContact CB-CE1 3.7Å; F256-Y288 HydrophobicContact CB-CE2 3.98Å; F256-Y288 HydrophobicContact CB-CG 3.72Å; F256-Y288 HydrophobicContact CD2-CE2 4.25Å; F256-Y288 HydrophobicContact CG-CE2 4.5Å; F256-S291 WeakPolarHBondContact O-CB 3.33Å; F256-M318 HydrophobicContact CE1-SD 4.47Å
257S97.3Very high94.7Very high42 Ų4235.6 Ų35.629%0.29418%0.181SC..Hα-helixtrans-61.4-29.3174.277.70000112.7D253 R254 I255 S291D253-S257 WeakPolarHBondContact O-CB 3.11Å; D253-S257 PolarHBondContact O-N 3.27Å; R254-S257 PolarHBondContact O-N 2.78Å; R254-S257 PolarHBondContact O-OG 2.94Å; I255-S257 PolarHBondContact O-N 3.19Å; S257-S291 WeakPolarHBondContact O-CB 3.21Å; S257-S291 PolarHBondContact O-OG 3.04Å
258V98Very high95.2Very high2 Ų240.9 Ų40.91%0.01221%0.206CC..Hα-helixtrans-91.6-51.7178.1173.40000111.2I233 F234 R254 I255 F256 S292 L293 Y296I233-V258 HydrophobicContact CD1-CG1 3.9Å; I233-V258 HydrophobicContact CG1-CG1 3.8Å; F234-V258 HydrophobicContact CD1-CB 4.24Å; F234-V258 HydrophobicContact CD1-CG1 4.48Å; F234-V258 HydrophobicContact CD1-CG2 4.29Å; F234-V258 HydrophobicContact CE1-CB 3.89Å; F234-V258 HydrophobicContact CE1-CG1 3.84Å; F234-V258 HydrophobicContact CE1-CG2 4.41Å; R254-V258 WeakPolarHBondContact O-CG2 3.39Å; R254-V258 PolarHBondContact O-N 3.28Å; I255-V258 PolarHBondContact O-N 3.13Å; F256-V258 PolarHBondContact O-N 2.82Å; V258-S292 CarbonylContact O-C 3.58Å; V258-S292 WeakPolarHBondContact O-CA 3.41Å; V258-S292 PolarHBondContact O-N 3.07Å; V258-S292 VanDerWaalsContact O-O 3.08Å; V258-L293 HydrophobicContact CG1-CD1 4.33Å; V258-L293 PolarHBondContact O-N 3.07Å; V258-L293 VanDerWaalsContact O-N 3.1Å; V258-Y296 HydrophobicContact CB-CD2 4.43Å; V258-Y296 HydrophobicContact CG1-CD1 4.12Å; V258-Y296 HydrophobicContact CG1-CD2 4Å; V258-Y296 HydrophobicContact CG1-CG 3.76Å; V258-Y296 HydrophobicContact CG2-CD2 3.87Å; V258-Y296 HydrophobicContact CG2-CE2 3.98Å; V258-Y296 HydrophobicContact CG2-CG 4.48Å
259M98.3Very high95.7Very high28 Ų2843.5 Ų43.514%0.13822%0.22CC..Hα-helixtrans-86.3-21.5-169.8-60.4-58.1-65.400113.6F234 I255 L293 L316 M318F234-M259 HydrophobicContact CE1-CG 3.82Å; F234-M259 HydrophobicContact CE1-SD 4.1Å; F234-M259 HydrophobicContact CZ-CG 3.95Å; F234-M259 HydrophobicContact CZ-SD 3.9Å; I255-M259 HydrophobicContact CG2-CG 4.04Å; I255-M259 WeakPolarHBondContact O-CB 3.48Å; I255-M259 WeakPolarHBondContact O-CG 3.08Å; I255-M259 PolarHBondContact O-N 3.23Å; M259-L293 HydrophobicContact CE-CB 4.1Å; M259-L293 HydrophobicContact CE-CD2 4.07Å; M259-L293 HydrophobicContact SD-CB 3.92Å; M259-L293 HydrophobicContact SD-CD1 3.91Å; M259-L293 HydrophobicContact SD-CD2 4.29Å; M259-L293 HydrophobicContact SD-CG 4.25Å; M259-L316 HydrophobicContact CE-CB 4.06Å; M259-L316 WeakPolarHBondContact CE-O 3.41Å; M259-M318 HydrophobicContact CB-CE 4.24Å; M259-M318 HydrophobicContact CB-SD 4.29Å
260G97.9Very high95.9Very high7 Ų740.6 Ų40.67%0.07221%0.206CC..  trans83.2162.2-159.500000111.6F256 S291F256-G260 WeakPolarHBondContact O-CA 3.43Å; F256-G260 PolarHBondContact O-N 2.89Å; G260-S291 WeakPolarHBondContact CA-O 3.41Å
261F97.6Very high96.2Very high38 Ų3844 Ų4417%0.16721%0.214CC..PPolyproline II helixtrans-81.9128.4175.9-167.5-80.5000110.2F256 A263 L279 F283 R285 Y288F256-F261 HydrophobicContact CD1-CD2 4.33Å; F256-F261 HydrophobicContact CD2-CD2 4.02Å; F256-F261 HydrophobicContact CD2-CE2 4.38Å; F256-F261 HydrophobicContact CE1-CD2 4.44Å; F256-F261 HydrophobicContact CE2-CD2 4.14Å; F256-F261 HydrophobicContact CE2-CE2 4.07Å; F256-F261 HydrophobicContact CG-CD2 4.13Å; F256-F261 HydrophobicContact CZ-CD2 4.35Å; F256-F261 HydrophobicContact CZ-CE2 4.24Å; F261-A263 PolarHBondContact O-N 3.31Å; F261-L279 HydrophobicContact CE2-CD1 4.17Å; F261-L279 HydrophobicContact CE2-CG 4.46Å; F261-L279 HydrophobicContact CZ-CD2 4.31Å; F261-L279 HydrophobicContact CZ-CG 4.35Å; F261-F283 HydrophobicContact CD2-CB 4.47Å; F261-F283 HydrophobicContact CE2-CB 3.82Å; F261-R285 HydrophobicContact CB-CG 4.35Å; F261-R285 HydrophobicContact CD1-CB 4.1Å; F261-R285 HydrophobicContact CD1-CG 4.07Å; F261-R285 HydrophobicContact CG-CB 4.38Å; F261-R285 HydrophobicContact CG-CG 4.45Å; F261-R285 PolarHBondContact O-NH1 3.5Å; F261-Y288 HydrophobicContact CB-CD2 3.96Å; F261-Y288 HydrophobicContact CB-CG 4.41Å; F261-Y288 HydrophobicContact CD2-CD2 4.06Å; F261-Y288 HydrophobicContact CD2-CE2 4.31Å; F261-Y288 HydrophobicContact CG-CD2 4.46Å
262P96.3Very high96.4Very high4 Ų451.1 Ų51.13%0.02625%0.245CC..PPolyproline II helixtrans-61.4130.1-171.823.2-32.5000112.2F256 W267 I270 R285 M318F256-P262 HydrophobicContact CE1-CG 4.48Å; P262-W267 HydrophobicContact CB-CB 4.34Å; P262-W267 HydrophobicContact CG-CE3 4.42Å; P262-I270 HydrophobicContact CG-CD1 3.78Å; P262-R285 VanDerWaalsContact C-NH1 3.27Å; P262-R285 VanDerWaalsContact O-CZ 3.27Å; P262-R285 PolarHBondContact O-NH1 3.44Å; P262-R285 PolarHBondContact O-NH2 3.3Å; P262-M318 HydrophobicContact CB-CE 3.67Å; P262-M318 HydrophobicContact CB-SD 4Å; P262-M318 HydrophobicContact CG-CE 4.25Å; P262-M318 HydrophobicContact CG-SD 4.02Å
263A95.3Very high96.3Very high27 Ų2752.6 Ų52.622%0.22325%0.252CS..PPolyproline II helixtrans-68.6156.8167.600000110.9F261 K265 D266 W267F261-A263 PolarHBondContact O-N 3.31Å; A263-K265 HydrophobicContact CB-CG 4.05Å; A263-K265 PolarHBondContact O-N 3.19Å; A263-D266 HydrophobicContact CB-CB 4.46Å; A263-D266 WeakPolarHBondContact CB-OD2 3.14Å; A263-D266 PolarHBondContact N-OD2 2.98Å; A263-D266 WeakPolarHBondContact O-CA 3.36Å; A263-D266 WeakPolarHBondContact O-CB 3.49Å; A263-D266 PolarHBondContact O-N 3.12Å; A263-W267 PolarHBondContact O-N 2.84Å; A263-W267 VanDerWaalsContact O-N 3.13Å
264D93.8Very high96.3Very high68 Ų6852.7 Ų52.736%0.36426%0.256SS..THydrogen-bonded Turntrans-58.1-36.7-179.7-66.58.4000111.2D266 W267 E268 R271 R285D264-D266 VanDerWaalsContact C-N 3.3Å; D264-D266 PolarHBondContact O-N 2.73Å; D264-W267 CarbonylContact O-C 3.52Å; D264-W267 VanDerWaalsContact O-C 3.27Å; D264-E268 VanDerWaalsContact O-CA 3.27Å; D264-E268 WeakPolarHBondContact O-CA 3.35Å; D264-E268 WeakPolarHBondContact O-CG 3.37Å; D264-E268 PolarHBondContact O-N 3.35Å; D264-E268 VanDerWaalsContact O-N 3.16Å; D264-R271 IonicContact OD2-CZ 3.09Å; D264-R271 IonicContact OD2-NH2 2.7Å; D264-R271 PolarHBondContact OD2-NH2 3.17Å; D264-R285 IonicContact OD1-NH2 2.99Å; D264-R285 PolarHBondContact OD1-NH2 2.99Å
265K95.6Very high96.2Very high156 Ų15651.3 Ų51.368%0.67825%0.253SS*.THydrogen-bonded Turntrans-69.2-24.1173.467.2174.6-173.8174.70114A263 K322A263-K265 HydrophobicContact CB-CG 4.05Å; A263-K265 PolarHBondContact O-N 3.19Å; K265-K322 PolarHBondContact O-NZ 2.73Å
266D95.5Very high96.1Very high76 Ų7653.2 Ų53.241%0.40626%0.26SS..THydrogen-bonded Turntrans-80.6-34.8-178.4-56.8-31.9000109.5A263 D264 D319 K322A263-D266 HydrophobicContact CB-CB 4.46Å; A263-D266 WeakPolarHBondContact CB-OD2 3.14Å; A263-D266 PolarHBondContact N-OD2 2.98Å; A263-D266 WeakPolarHBondContact O-CA 3.36Å; A263-D266 WeakPolarHBondContact O-CB 3.49Å; A263-D266 PolarHBondContact O-N 3.12Å; D264-D266 VanDerWaalsContact C-N 3.3Å; D264-D266 PolarHBondContact O-N 2.73Å; D266-D319 WeakPolarHBondContact O-CB 3.22Å; D266-K322 PolarHBondContact O-NZ 3.48Å
267W97.6Very high96Very high3 Ų357.2 Ų57.21%0.01129%0.286CS..  trans-146.289.2175.5-169.34.3000111.8P202 E203 L206 P262 A263 D264 I270 M273 M318 D319P202-W267 HydrophobicContact CB-CH2 4.26Å; P202-W267 HydrophobicContact CB-CZ3 4.1Å; P202-W267 HydrophobicContact CG-CH2 4.3Å; P202-W267 HydrophobicContact CG-CZ3 4.16Å; E203-W267 HydrophobicContact CB-CH2 4.02Å; E203-W267 HydrophobicContact CB-CZ2 3.97Å; L206-W267 HydrophobicContact CD1-CH2 3.73Å; L206-W267 HydrophobicContact CD1-CZ3 3.93Å; P262-W267 HydrophobicContact CB-CB 4.34Å; P262-W267 HydrophobicContact CG-CE3 4.42Å; A263-W267 PolarHBondContact O-N 2.84Å; A263-W267 VanDerWaalsContact O-N 3.13Å; D264-W267 CarbonylContact O-C 3.52Å; D264-W267 VanDerWaalsContact O-C 3.27Å; W267-I270 HydrophobicContact CB-CB 4.3Å; W267-I270 HydrophobicContact CD2-CB 3.73Å; W267-I270 HydrophobicContact CD2-CD1 4.17Å; W267-I270 HydrophobicContact CD2-CG1 3.95Å; W267-I270 HydrophobicContact CE3-CB 4.15Å; W267-I270 HydrophobicContact CE3-CD1 3.67Å; W267-I270 HydrophobicContact CE3-CG1 3.88Å; W267-I270 HydrophobicContact CG-CB 3.79Å; W267-I270 HydrophobicContact CG-CG1 4.5Å; W267-I270 HydrophobicContact CH2-CG1 4.49Å; W267-I270 HydrophobicContact CZ3-CD1 4.03Å; W267-I270 HydrophobicContact CZ3-CG1 4.16Å; W267-I270 WeakPolarHBondContact O-CB 3.48Å; W267-I270 WeakPolarHBondContact O-CG2 3.34Å; W267-I270 PolarHBondContact O-N 3.39Å; W267-M273 HydrophobicContact CZ2-CE 4.11Å; W267-M273 HydrophobicContact CZ2-CG 4.33Å; W267-M273 HydrophobicContact CZ2-SD 4.41Å; W267-M318 HydrophobicContact CE3-CB 4.11Å; W267-M318 HydrophobicContact CZ3-CB 4.43Å; W267-D319 HydrophobicContact CB-CB 3.9Å; W267-D319 VanDerWaalsContact CD1-CG 3.42Å; W267-D319 HydrophobicContact CD2-CB 4.39Å; W267-D319 HydrophobicContact CG-CB 3.75Å
268E96.4Very high95.9Very high127 Ų12757.2 Ų57.259%0.59328%0.284SS*.G310 helixtrans-69.3-40.4-174.6-66.3174.9-166.900111.8D264 I270D264-E268 VanDerWaalsContact O-CA 3.27Å; D264-E268 WeakPolarHBondContact O-CA 3.35Å; D264-E268 WeakPolarHBondContact O-CG 3.37Å; D264-E268 PolarHBondContact O-N 3.35Å; D264-E268 VanDerWaalsContact O-N 3.16Å; E268-I270 PolarHBondContact O-N 3.46Å
269D96.1Very high95.8Very high59 Ų5957.1 Ų57.132%0.31628%0.284SS..G310 helixtrans-77.51.4-177.7-80.4-5.8000114R271 K272D269-R271 PolarHBondContact O-N 3.1Å; D269-R271 VanDerWaalsContact O-N 3.14Å; D269-K272 HydrophobicContact CB-CD 4.19Å; D269-K272 VanDerWaalsContact CG-NZ 3.28Å; D269-K272 WeakPolarHBondContact O-CB 3.3Å; D269-K272 PolarHBondContact O-N 3.02Å; D269-K272 WeakPolarHBondContact OD1-CD 3.21Å; D269-K272 WeakPolarHBondContact OD1-CE 3.26Å; D269-K272 IonicContact OD1-NZ 2.74Å; D269-K272 PolarHBondContact OD1-NZ 2.88Å; D269-K272 IonicContact OD2-NZ 3.56Å; D269-K272 PolarHBondContact OD2-NZ 2.99Å
270I96.4Very high95.7Very high7 Ų761.5 Ų61.54%0.03630%0.304CS..G310 helixtrans-56.6-31.4173.5-160.8174.4000111.5L206 P262 W267 E268 K272 M273 Y276 L279L206-I270 HydrophobicContact CD1-CD1 4.23Å; L206-I270 HydrophobicContact CD1-CG1 3.98Å; P262-I270 HydrophobicContact CG-CD1 3.78Å; W267-I270 HydrophobicContact CB-CB 4.3Å; W267-I270 HydrophobicContact CD2-CB 3.73Å; W267-I270 HydrophobicContact CD2-CD1 4.17Å; W267-I270 HydrophobicContact CD2-CG1 3.95Å; W267-I270 HydrophobicContact CE3-CB 4.15Å; W267-I270 HydrophobicContact CE3-CD1 3.67Å; W267-I270 HydrophobicContact CE3-CG1 3.88Å; W267-I270 HydrophobicContact CG-CB 3.79Å; W267-I270 HydrophobicContact CG-CG1 4.5Å; W267-I270 HydrophobicContact CH2-CG1 4.49Å; W267-I270 HydrophobicContact CZ3-CD1 4.03Å; W267-I270 HydrophobicContact CZ3-CG1 4.16Å; W267-I270 WeakPolarHBondContact O-CB 3.48Å; W267-I270 WeakPolarHBondContact O-CG2 3.34Å; W267-I270 PolarHBondContact O-N 3.39Å; E268-I270 PolarHBondContact O-N 3.46Å; I270-K272 PolarHBondContact O-N 2.98Å; I270-M273 WeakPolarHBondContact O-CB 3.13Å; I270-M273 WeakPolarHBondContact O-CG 3.46Å; I270-M273 PolarHBondContact O-N 2.52Å; I270-M273 VanDerWaalsContact O-N 3.13Å; I270-Y276 HydrophobicContact CG1-CD2 4.18Å; I270-Y276 HydrophobicContact CG1-CE2 4.4Å; I270-Y276 HydrophobicContact CG2-CD2 4.32Å; I270-Y276 HydrophobicContact CG2-CE2 3.87Å; I270-Y276 VanDerWaalsContact O-CD2 3.24Å; I270-Y276 WeakPolarHBondContact O-CD2 3.39Å; I270-L279 HydrophobicContact CD1-CD2 3.72Å; I270-L279 HydrophobicContact CG1-CD2 4.23Å
271R96.2Very high95.6Very high147 Ų14769.6 Ų69.656%0.55534%0.337SS*.G310 helixtrans-66.8-18.3178.1-56.9-179.1-177173.80.7113.4D264 D269 Y276D264-R271 IonicContact OD2-CZ 3.09Å; D264-R271 IonicContact OD2-NH2 2.7Å; D264-R271 PolarHBondContact OD2-NH2 3.17Å; D269-R271 PolarHBondContact O-N 3.1Å; D269-R271 VanDerWaalsContact O-N 3.14Å; R271-Y276 HydrophobicContact CB-CD1 4.34Å; R271-Y276 HydrophobicContact CB-CE1 4.1Å; R271-Y276 HydrophobicContact CG-CE1 3.94Å; R271-Y276 HydrophobicContact CG-CE2 4.24Å
272K94.7Very high95.5Very high152 Ų15271 Ų7166%0.66135%0.346SS*.G310 helixtrans-89.6-6.2177.9-59176-179162.20112.3D269 I270D269-K272 HydrophobicContact CB-CD 4.19Å; D269-K272 VanDerWaalsContact CG-NZ 3.28Å; D269-K272 WeakPolarHBondContact O-CB 3.3Å; D269-K272 PolarHBondContact O-N 3.02Å; D269-K272 WeakPolarHBondContact OD1-CD 3.21Å; D269-K272 WeakPolarHBondContact OD1-CE 3.26Å; D269-K272 IonicContact OD1-NZ 2.74Å; D269-K272 PolarHBondContact OD1-NZ 2.88Å; D269-K272 IonicContact OD2-NZ 3.56Å; D269-K272 PolarHBondContact OD2-NZ 2.99Å; I270-K272 PolarHBondContact O-N 2.98Å
273M93.8Very high95.5Very high31 Ų3171.2 Ų71.215%0.15335%0.347CS..SBendtrans-71.1138.6-179.5-65.2-6413500110.9E203 L206 A208 W267 I270 E275 Y276E203-M273 HydrophobicContact CB-SD 4.4Å; L206-M273 HydrophobicContact CB-CB 3.82Å; L206-M273 HydrophobicContact CB-CG 3.99Å; L206-M273 HydrophobicContact CB-SD 4.49Å; L206-M273 HydrophobicContact CD1-CG 4.23Å; A208-M273 HydrophobicContact CB-SD 4.38Å; W267-M273 HydrophobicContact CZ2-CE 4.11Å; W267-M273 HydrophobicContact CZ2-CG 4.33Å; W267-M273 HydrophobicContact CZ2-SD 4.41Å; I270-M273 WeakPolarHBondContact O-CB 3.13Å; I270-M273 WeakPolarHBondContact O-CG 3.46Å; I270-M273 PolarHBondContact O-N 2.52Å; I270-M273 VanDerWaalsContact O-N 3.13Å; M273-E275 PolarHBondContact O-N 2.93Å; M273-Y276 VanDerWaalsContact O-CB 3.24Å; M273-Y276 WeakPolarHBondContact O-CB 3.49Å; M273-Y276 PolarHBondContact O-N 3.46Å
274P93.3Very high95.5Very high62 Ų6279 Ų7940%0.40337%0.371SS..THydrogen-bonded Turntrans-53.9-38.8180-31.439.3000114.2L206 G207 Y276 P277L206-P274 WeakPolarHBondContact O-CD 3.34Å; G207-P274 WeakPolarHBondContact O-CG 3.18Å; P274-Y276 VanDerWaalsContact C-N 3.34Å; P274-P277 WeakPolarHBondContact O-CD 3.28Å
275E94.1Very high95.5Very high41 Ų4180.8 Ų80.819%0.19237%0.372CS..THydrogen-bonded Turntrans-9415.3-178.5-57.4-60.1146.700113.6L206 F247 M273 P277 T278 L279L206-E275 WeakPolarHBondContact O-CB 3.5Å; L206-E275 PolarHBondContact O-N 3.39Å; F247-E275 HydrophobicContact CB-CG 4.06Å; F247-E275 HydrophobicContact CD2-CB 3.61Å; F247-E275 HydrophobicContact CD2-CG 4.08Å; F247-E275 HydrophobicContact CE2-CB 4.24Å; F247-E275 HydrophobicContact CG-CB 4.44Å; F247-E275 HydrophobicContact CG-CG 4.5Å; M273-E275 PolarHBondContact O-N 2.93Å; E275-P277 VanDerWaalsContact C-CD 3.49Å; E275-T278 PolarHBondContact O-N 2.99Å; E275-T278 PolarHBondContact OE2-OG1 3.38Å; E275-L279 WeakPolarHBondContact O-CB 3.23Å; E275-L279 PolarHBondContact O-N 2.95Å
276Y95.9Very high95.4Very high39 Ų3978.7 Ų78.715%0.15337%0.373CS..Hα-helixtrans-58.4-40.4175.2-175.1-109.9000113.7I270 R271 M273 P274 T278 L279 Q280I270-Y276 HydrophobicContact CG1-CD2 4.18Å; I270-Y276 HydrophobicContact CG1-CE2 4.4Å; I270-Y276 HydrophobicContact CG2-CD2 4.32Å; I270-Y276 HydrophobicContact CG2-CE2 3.87Å; I270-Y276 VanDerWaalsContact O-CD2 3.24Å; I270-Y276 WeakPolarHBondContact O-CD2 3.39Å; R271-Y276 HydrophobicContact CB-CD1 4.34Å; R271-Y276 HydrophobicContact CB-CE1 4.1Å; R271-Y276 HydrophobicContact CG-CE1 3.94Å; R271-Y276 HydrophobicContact CG-CE2 4.24Å; M273-Y276 VanDerWaalsContact O-CB 3.24Å; M273-Y276 WeakPolarHBondContact O-CB 3.49Å; M273-Y276 PolarHBondContact O-N 3.46Å; P274-Y276 VanDerWaalsContact C-N 3.34Å; Y276-T278 VanDerWaalsContact C-N 3.34Å; Y276-T278 PolarHBondContact O-N 3.02Å; Y276-L279 HydrophobicContact CD2-CD2 4.09Å; Y276-L279 HydrophobicContact CE2-CD2 4.41Å; Y276-L279 WeakPolarHBondContact O-CB 3.33Å; Y276-L279 PolarHBondContact O-N 3.24Å; Y276-Q280 HydrophobicContact CD1-CG 4.27Å; Y276-Q280 HydrophobicContact CE1-CG 3.82Å; Y276-Q280 HydrophobicContact CE2-CG 4.12Å; Y276-Q280 WeakPolarHBondContact O-CG 3.46Å; Y276-Q280 PolarHBondContact O-N 2.85Å; Y276-Q280 PolarHBondContact OH-NE2 3.29Å
277P96.3Very high95.5Very high85 Ų8579.5 Ų79.555%0.55238%0.38SS*.Hα-helixtrans-61.5-40.9175.4-23.435.3000112.8P274 E275 Q280 K281P274-P277 WeakPolarHBondContact O-CD 3.28Å; E275-P277 VanDerWaalsContact C-CD 3.49Å; P277-Q280 PolarHBondContact O-N 3.47Å; P277-K281 PolarHBondContact O-N 3.25Å; P277-K281 VanDerWaalsContact O-N 3.12Å
278T95.4Very high95.4Very high42 Ų4280.2 Ų80.226%0.25838%0.383SS..Hα-helixtrans-63.8-45.8175.9-44.80000110.5F247 E275 Y276 Q280 K281 D282F247-T278 HydrophobicContact CD1-CG2 3.85Å; F247-T278 HydrophobicContact CD2-CG2 4.29Å; F247-T278 HydrophobicContact CE1-CG2 3.53Å; F247-T278 HydrophobicContact CE2-CG2 4Å; F247-T278 HydrophobicContact CG-CG2 4.2Å; F247-T278 HydrophobicContact CZ-CG2 3.59Å; E275-T278 PolarHBondContact O-N 2.99Å; E275-T278 PolarHBondContact OE2-OG1 3.38Å; Y276-T278 VanDerWaalsContact C-N 3.34Å; Y276-T278 PolarHBondContact O-N 3.02Å; T278-Q280 VanDerWaalsContact C-N 3.35Å; T278-Q280 PolarHBondContact O-N 3.18Å; T278-K281 PolarHBondContact O-N 3.06Å; T278-D282 WeakPolarHBondContact O-CB 3.15Å; T278-D282 PolarHBondContact O-N 3.39Å
279L95.8Very high95.3Very high0 Ų077.8 Ų77.80%039%0.385CS..Hα-helixtrans-55.8-46174.7178.571000112.1L206 F247 F256 F261 I270 E275 Y276 K281 F283L206-L279 HydrophobicContact CD1-CD2 4.28Å; L206-L279 HydrophobicContact CD2-CB 4.04Å; L206-L279 HydrophobicContact CD2-CD1 4.19Å; L206-L279 HydrophobicContact CD2-CD2 4Å; L206-L279 HydrophobicContact CD2-CG 4.3Å; F247-L279 HydrophobicContact CE2-CB 4.45Å; F256-L279 HydrophobicContact CE2-CD1 3.63Å; F256-L279 HydrophobicContact CZ-CD1 3.73Å; F261-L279 HydrophobicContact CE2-CD1 4.17Å; F261-L279 HydrophobicContact CE2-CG 4.46Å; F261-L279 HydrophobicContact CZ-CD2 4.31Å; F261-L279 HydrophobicContact CZ-CG 4.35Å; I270-L279 HydrophobicContact CD1-CD2 3.72Å; I270-L279 HydrophobicContact CG1-CD2 4.23Å; E275-L279 WeakPolarHBondContact O-CB 3.23Å; E275-L279 PolarHBondContact O-N 2.95Å; Y276-L279 HydrophobicContact CD2-CD2 4.09Å; Y276-L279 HydrophobicContact CE2-CD2 4.41Å; Y276-L279 WeakPolarHBondContact O-CB 3.33Å; Y276-L279 PolarHBondContact O-N 3.24Å; L279-K281 VanDerWaalsContact C-N 3.32Å; L279-K281 PolarHBondContact O-N 3.34Å; L279-F283 HydrophobicContact CD1-CB 4.23Å; L279-F283 HydrophobicContact CD1-CD2 3.66Å; L279-F283 HydrophobicContact CD1-CE2 4.3Å; L279-F283 HydrophobicContact CD1-CG 4.02Å; L279-F283 WeakPolarHBondContact O-CB 3.38Å; L279-F283 PolarHBondContact O-N 2.87Å
280Q95.6Very high95.3Very high121 Ų12181.2 Ų81.257%0.56540%0.403SS*.Hα-helixtrans-66.3-33.4179.7-75.4-167.5-33.300113.3Y276 P277 T278Y276-Q280 HydrophobicContact CD1-CG 4.27Å; Y276-Q280 HydrophobicContact CE1-CG 3.82Å; Y276-Q280 HydrophobicContact CE2-CG 4.12Å; Y276-Q280 WeakPolarHBondContact O-CG 3.46Å; Y276-Q280 PolarHBondContact O-N 2.85Å; Y276-Q280 PolarHBondContact OH-NE2 3.29Å; P277-Q280 PolarHBondContact O-N 3.47Å; T278-Q280 VanDerWaalsContact C-N 3.35Å; T278-Q280 PolarHBondContact O-N 3.18Å
281K96.3Very high95.3Very high176 Ų17682.5 Ų82.577%0.76541%0.413SS*.Hα-helixtrans-71.6-44.9178.6-178.8-169.9168.4-164.80111.3P277 T278 L279P277-K281 PolarHBondContact O-N 3.25Å; P277-K281 VanDerWaalsContact O-N 3.12Å; T278-K281 PolarHBondContact O-N 3.06Å; L279-K281 VanDerWaalsContact C-N 3.32Å; L279-K281 PolarHBondContact O-N 3.34Å
282D95.3Very high95.4Very high67 Ų6777 Ų7736%0.35840%0.397SS..Hα-helixtrans-91.1-25.6-167.4-63.8-7000112.5T278T278-D282 WeakPolarHBondContact O-CB 3.15Å; T278-D282 PolarHBondContact O-N 3.39Å
283F96.6Very high95.6Very high9 Ų970.1 Ų70.14%0.03937%0.368CS..  trans-116.1137-174.8-65.4-92.4000113.5F247 H249 L252 D253 F256 F261 L279 Y288F247-F283 AromaticContact CZ-CE2 3.92Å; F247-F283 HydrophobicContact CZ-CE2 3.92Å; H249-F283 AromaticContact CD2-CE2 3.58Å; H249-F283 AromaticContact CD2-CZ 3.46Å; H249-F283 VanDerWaalsContact CD2-CZ 3.46Å; H249-F283 WeakPolarHBondContact CD2-CZ 3.49Å; H249-F283 AromaticContact CG-CZ 3.99Å; H249-F283 AromaticContact NE2-CE2 4Å; H249-F283 AromaticContact NE2-CZ 3.62Å; H249-F283 WeakPolarHBondContact O-CZ 3.31Å; L252-F283 HydrophobicContact CB-CE1 4.44Å; L252-F283 HydrophobicContact CB-CE2 4.35Å; L252-F283 HydrophobicContact CB-CZ 3.87Å; D253-F283 HydrophobicContact CB-CE1 3.85Å; D253-F283 HydrophobicContact CB-CZ 4.36Å; F256-F283 AromaticContact CD2-CD1 3.64Å; F256-F283 HydrophobicContact CD2-CD1 3.64Å; F256-F283 AromaticContact CD2-CE1 3.86Å; F256-F283 HydrophobicContact CD2-CE1 3.86Å; F256-F283 HydrophobicContact CD2-CG 4.32Å; F256-F283 AromaticContact CE2-CD1 3.83Å; F256-F283 HydrophobicContact CE2-CD1 3.83Å; F256-F283 HydrophobicContact CE2-CE1 4.06Å; F256-F283 HydrophobicContact CE2-CG 4.09Å; F256-F283 HydrophobicContact CE2-CZ 4.48Å; F261-F283 HydrophobicContact CD2-CB 4.47Å; F261-F283 HydrophobicContact CE2-CB 3.82Å; L279-F283 HydrophobicContact CD1-CB 4.23Å; L279-F283 HydrophobicContact CD1-CD2 3.66Å; L279-F283 HydrophobicContact CD1-CE2 4.3Å; L279-F283 HydrophobicContact CD1-CG 4.02Å; L279-F283 WeakPolarHBondContact O-CB 3.38Å; L279-F283 PolarHBondContact O-N 2.87Å; F283-Y288 AromaticContact CD1-CE2 3.95Å; F283-Y288 HydrophobicContact CD1-CE2 3.95Å; F283-Y288 AromaticContact CD1-CZ 3.95Å; F283-Y288 WeakPolarHBondContact CD1-OH 3.36Å; F283-Y288 WeakPolarHBondContact CE1-OH 3.47Å
284R94.9Very high95.8Very high192 Ų19271.8 Ų71.873%0.72538%0.376SS*.  trans-112.4126.2172.2-63.5-173.4180-157.10.5110.9T286 T287R284-T286 PolarHBondContact O-N 3.15Å; R284-T286 VanDerWaalsContact O-N 3.13Å; R284-T287 VanDerWaalsContact O-CB 3.26Å; R284-T287 WeakPolarHBondContact O-CB 3.24Å; R284-T287 PolarHBondContact O-N 3.08Å; R284-T287 PolarHBondContact O-OG1 2.91Å
285R93.1Very high96Very high104 Ų10473.9 Ų73.939%0.39238%0.379SS..G310 helixtrans-51.5-38.8178.1-176.6-174.3-70.3-73.71.9113F261 P262 D264 T287 Y288F261-R285 HydrophobicContact CB-CG 4.35Å; F261-R285 HydrophobicContact CD1-CB 4.1Å; F261-R285 HydrophobicContact CD1-CG 4.07Å; F261-R285 HydrophobicContact CG-CB 4.38Å; F261-R285 HydrophobicContact CG-CG 4.45Å; F261-R285 PolarHBondContact O-NH1 3.5Å; P262-R285 VanDerWaalsContact C-NH1 3.27Å; P262-R285 VanDerWaalsContact O-CZ 3.27Å; P262-R285 PolarHBondContact O-NH1 3.44Å; P262-R285 PolarHBondContact O-NH2 3.3Å; D264-R285 IonicContact OD1-NH2 2.99Å; D264-R285 PolarHBondContact OD1-NH2 2.99Å; R285-T287 PolarHBondContact O-N 3.45Å; R285-Y288 PolarHBondContact O-N 2.87Å
286T94.8Very high96.2Very high113 Ų11373.2 Ų73.269%0.69338%0.375SS*.G310 helixtrans-63.1-27.5-17950.50000113.5R284 Y288 A289R284-T286 PolarHBondContact O-N 3.15Å; R284-T286 VanDerWaalsContact O-N 3.13Å; T286-Y288 PolarHBondContact O-N 2.91Å; T286-A289 PolarHBondContact O-N 3.17Å
287T96.4Very high96.3Very high93 Ų9371.4 Ų71.457%0.57137%0.368SS*.G310 helixtrans-60.7-32.3178-55.20000111.8R284 R285R284-T287 VanDerWaalsContact O-CB 3.26Å; R284-T287 WeakPolarHBondContact O-CB 3.24Å; R284-T287 PolarHBondContact O-N 3.08Å; R284-T287 PolarHBondContact O-OG1 2.91Å; R285-T287 PolarHBondContact O-N 3.45Å
288Y97.2Very high96.3Very high18 Ų1872.2 Ų72.27%0.07136%0.364CS..G310 helixtrans-110.615.4-174-47.2-77.7000113D253 F256 F261 F283 R285 T286 N290 S291D253-Y288 WeakPolarHBondContact OD1-CE1 3.42Å; D253-Y288 PolarHBondContact OD1-OH 2.93Å; F256-Y288 VanDerWaalsContact C-CD1 3.5Å; F256-Y288 HydrophobicContact CB-CD1 3.62Å; F256-Y288 HydrophobicContact CB-CD2 3.9Å; F256-Y288 HydrophobicContact CB-CE1 3.7Å; F256-Y288 HydrophobicContact CB-CE2 3.98Å; F256-Y288 HydrophobicContact CB-CG 3.72Å; F256-Y288 HydrophobicContact CD2-CE2 4.25Å; F256-Y288 HydrophobicContact CG-CE2 4.5Å; F261-Y288 HydrophobicContact CB-CD2 3.96Å; F261-Y288 HydrophobicContact CB-CG 4.41Å; F261-Y288 HydrophobicContact CD2-CD2 4.06Å; F261-Y288 HydrophobicContact CD2-CE2 4.31Å; F261-Y288 HydrophobicContact CG-CD2 4.46Å; F283-Y288 AromaticContact CD1-CE2 3.95Å; F283-Y288 HydrophobicContact CD1-CE2 3.95Å; F283-Y288 AromaticContact CD1-CZ 3.95Å; F283-Y288 WeakPolarHBondContact CD1-OH 3.36Å; F283-Y288 WeakPolarHBondContact CE1-OH 3.47Å; R285-Y288 PolarHBondContact O-N 2.87Å; T286-Y288 PolarHBondContact O-N 2.91Å; Y288-N290 PolarHBondContact O-N 3.32Å; Y288-N290 VanDerWaalsContact O-N 3.13Å; Y288-S291 WeakPolarHBondContact O-CB 3.19Å; Y288-S291 PolarHBondContact O-N 2.66Å
289A94Very high96.3Very high76 Ų7678.4 Ų78.463%0.62839%0.388SS*.THydrogen-bonded Turntrans-59.5-28.1-17600000113.3T286T286-A289 PolarHBondContact O-N 3.17Å
290N95Very high96.2Very high130 Ų13079.7 Ų79.770%0.69539%0.393SS*.THydrogen-bonded Turntrans-96.81.6178.1-75-40.4000113.9Y288 K295Y288-N290 PolarHBondContact O-N 3.32Å; Y288-N290 VanDerWaalsContact O-N 3.13Å; N290-K295 WeakPolarHBondContact O-CD 3.47Å; N290-K295 WeakPolarHBondContact O-CE 3.44Å; N290-K295 PolarHBondContact O-NZ 2.86Å
291S97.6Very high96.1Very high34 Ų3482.3 Ų82.324%0.23840%0.403CS..  trans-90.3137.9179.6-700000111.2F256 S257 G260 Y288F256-S291 WeakPolarHBondContact O-CB 3.33Å; S257-S291 WeakPolarHBondContact O-CB 3.21Å; S257-S291 PolarHBondContact O-OG 3.04Å; G260-S291 WeakPolarHBondContact CA-O 3.41Å; Y288-S291 WeakPolarHBondContact O-CB 3.19Å; Y288-S291 PolarHBondContact O-N 2.66Å
292S97.9Very high96.1Very high33 Ų3374.8 Ų74.823%0.23137%0.372CS..  trans-163.2149.3173.8640000110V258 I294 K295 Y296V258-S292 CarbonylContact O-C 3.58Å; V258-S292 WeakPolarHBondContact O-CA 3.41Å; V258-S292 PolarHBondContact O-N 3.07Å; V258-S292 VanDerWaalsContact O-O 3.08Å; S292-I294 PolarHBondContact O-N 3.37Å; S292-K295 PolarHBondContact O-N 2.9Å; S292-K295 VanDerWaalsContact O-N 3.15Å; S292-K295 WeakPolarHBondContact OG-CG 3.41Å; S292-K295 PolarHBondContact OG-N 3.41Å; S292-Y296 PolarHBondContact O-N 3.43Å; S292-Y296 VanDerWaalsContact O-N 3.1Å
293L98.3Very high96.1Very high7 Ų778.6 Ų78.64%0.03739%0.385CS..Hα-helixtrans-56.6-34.1176.1-177.661.5000111.5I233 V258 M259 Y296 M297 F309 L312 Q313 L316I233-L293 HydrophobicContact CD1-CD1 3.66Å; V258-L293 HydrophobicContact CG1-CD1 4.33Å; V258-L293 PolarHBondContact O-N 3.07Å; V258-L293 VanDerWaalsContact O-N 3.1Å; M259-L293 HydrophobicContact CE-CB 4.1Å; M259-L293 HydrophobicContact CE-CD2 4.07Å; M259-L293 HydrophobicContact SD-CB 3.92Å; M259-L293 HydrophobicContact SD-CD1 3.91Å; M259-L293 HydrophobicContact SD-CD2 4.29Å; M259-L293 HydrophobicContact SD-CG 4.25Å; L293-Y296 PolarHBondContact O-N 3.27Å; L293-M297 HydrophobicContact CD1-CG 3.79Å; L293-M297 HydrophobicContact CD1-SD 4.3Å; L293-M297 HydrophobicContact CG-CG 4.11Å; L293-M297 WeakPolarHBondContact O-CB 3.12Å; L293-M297 VanDerWaalsContact O-CG 3.27Å; L293-M297 WeakPolarHBondContact O-CG 3.41Å; L293-M297 PolarHBondContact O-N 3.36Å; L293-F309 HydrophobicContact CD2-CE2 4.37Å; L293-F309 HydrophobicContact CD2-CZ 4.49Å; L293-F309 HydrophobicContact CG-CE2 3.96Å; L293-F309 HydrophobicContact CG-CZ 4.27Å; L293-L312 HydrophobicContact CD2-CG 4.46Å; L293-Q313 HydrophobicContact CD2-CB 4.28Å; L293-Q313 HydrophobicContact CD2-CG 4.49Å; L293-L316 HydrophobicContact CD1-CD1 4.41Å; L293-L316 HydrophobicContact CD2-CB 4.46Å; L293-L316 HydrophobicContact CD2-CD1 4.45Å
294I98.3Very high96.1Very high66 Ų6679.9 Ų79.934%0.33840%0.395SS..Hα-helixtrans-53.7-60.9174.2-66.6174.7000110.3S292 Y296 M297 E298 P304 F309S292-I294 PolarHBondContact O-N 3.37Å; I294-Y296 VanDerWaalsContact C-N 3.27Å; I294-Y296 PolarHBondContact O-N 2.92Å; I294-M297 PolarHBondContact O-N 3.28Å; I294-M297 VanDerWaalsContact O-N 3.16Å; I294-E298 HydrophobicContact CG2-CG 4.46Å; I294-E298 WeakPolarHBondContact O-CG 3.48Å; I294-E298 PolarHBondContact O-N 2.81Å; I294-P304 HydrophobicContact CG2-CB 4.02Å; I294-P304 HydrophobicContact CG2-CG 3.68Å; I294-F309 HydrophobicContact CB-CZ 4.21Å; I294-F309 HydrophobicContact CG1-CE1 3.93Å; I294-F309 HydrophobicContact CG1-CE2 4.4Å; I294-F309 HydrophobicContact CG1-CZ 3.45Å; I294-F309 VanDerWaalsContact CG1-CZ 3.45Å
295K97.7Very high96.1Very high105 Ų10576.9 Ų76.946%0.45739%0.393SS..Hα-helixtrans-60.1-38.2-178.2-71.5177.5-175.8-179.40112.3N290 S292 K299N290-K295 WeakPolarHBondContact O-CD 3.47Å; N290-K295 WeakPolarHBondContact O-CE 3.44Å; N290-K295 PolarHBondContact O-NZ 2.86Å; S292-K295 PolarHBondContact O-N 2.9Å; S292-K295 VanDerWaalsContact O-N 3.15Å; S292-K295 WeakPolarHBondContact OG-CG 3.41Å; S292-K295 PolarHBondContact OG-N 3.41Å; K295-K299 PolarHBondContact O-N 2.7Å
296Y97.9Very high96.3Very high28 Ų2873.4 Ų73.411%0.1139%0.385CS..Hα-helixtrans-61.2-53.5175.6-177.7-91.9000110.6I233 V258 S292 L293 I294 E298 K299 H300I233-Y296 HydrophobicContact CB-CE1 4.38Å; I233-Y296 HydrophobicContact CD1-CD1 4.1Å; I233-Y296 HydrophobicContact CD1-CE1 3.96Å; I233-Y296 HydrophobicContact CG1-CD1 4.21Å; I233-Y296 HydrophobicContact CG1-CE1 3.7Å; V258-Y296 HydrophobicContact CB-CD2 4.43Å; V258-Y296 HydrophobicContact CG1-CD1 4.12Å; V258-Y296 HydrophobicContact CG1-CD2 4Å; V258-Y296 HydrophobicContact CG1-CG 3.76Å; V258-Y296 HydrophobicContact CG2-CD2 3.87Å; V258-Y296 HydrophobicContact CG2-CE2 3.98Å; V258-Y296 HydrophobicContact CG2-CG 4.48Å; S292-Y296 PolarHBondContact O-N 3.43Å; S292-Y296 VanDerWaalsContact O-N 3.1Å; L293-Y296 PolarHBondContact O-N 3.27Å; I294-Y296 VanDerWaalsContact C-N 3.27Å; I294-Y296 PolarHBondContact O-N 2.92Å; Y296-E298 PolarHBondContact O-N 3.28Å; Y296-K299 WeakPolarHBondContact O-CB 3.49Å; Y296-K299 PolarHBondContact O-N 2.87Å; Y296-H300 AromaticContact CZ-NE2 3.86Å; Y296-H300 PolarHBondContact O-CD2 3.4Å; Y296-H300 VanDerWaalsContact O-CD2 3.28Å; Y296-H300 PolarHBondContact O-N 3.34Å
297M97.8Very high96.5Very high0 Ų071.5 Ų71.50%037%0.367CS..Hα-helixtrans-68.4-32.8-176.1-66.3-54.9-65.200112.9L228 T229 L293 I294 K299 H300 K301 V302 F309 L312L228-M297 HydrophobicContact CB-CE 4.29Å; L228-M297 HydrophobicContact CD1-CE 3.96Å; T229-M297 HydrophobicContact CG2-CE 3.99Å; T229-M297 HydrophobicContact CG2-SD 4.28Å; L293-M297 HydrophobicContact CD1-CG 3.79Å; L293-M297 HydrophobicContact CD1-SD 4.3Å; L293-M297 HydrophobicContact CG-CG 4.11Å; L293-M297 WeakPolarHBondContact O-CB 3.12Å; L293-M297 VanDerWaalsContact O-CG 3.27Å; L293-M297 WeakPolarHBondContact O-CG 3.41Å; L293-M297 PolarHBondContact O-N 3.36Å; I294-M297 PolarHBondContact O-N 3.28Å; I294-M297 VanDerWaalsContact O-N 3.16Å; M297-K299 PolarHBondContact O-N 3.23Å; M297-H300 CarbonylContact O-C 3.3Å; M297-H300 VanDerWaalsContact O-C 3.3Å; M297-H300 WeakPolarHBondContact O-CA 3.44Å; M297-H300 PolarHBondContact O-N 3.29Å; M297-K301 PolarHBondContact O-N 2.84Å; M297-V302 CarbonylContact C-O 3.39Å; M297-V302 HydrophobicContact CB-CB 4.13Å; M297-V302 HydrophobicContact CB-CG1 4.47Å; M297-V302 HydrophobicContact CE-CB 3.85Å; M297-V302 HydrophobicContact CE-CG1 4Å; M297-V302 HydrophobicContact CE-CG2 3.71Å; M297-V302 PolarHBondContact O-N 3.37Å; M297-F309 HydrophobicContact CB-CD2 3.82Å; M297-F309 HydrophobicContact CB-CE2 3.81Å; M297-F309 HydrophobicContact CG-CD2 3.91Å; M297-F309 HydrophobicContact CG-CE2 3.78Å; M297-L312 HydrophobicContact CE-CD2 3.61Å; M297-L312 HydrophobicContact CG-CD2 4.14Å; M297-L312 HydrophobicContact SD-CD2 3.82Å
298E96.8Very high96.5Very high102 Ų10268.2 Ų68.248%0.47735%0.347SS..Hα-helixtrans-60.6-42.7172.8-76.7-179.9145.600112.3I294 Y296 H300 K301 P304I294-E298 HydrophobicContact CG2-CG 4.46Å; I294-E298 WeakPolarHBondContact O-CG 3.48Å; I294-E298 PolarHBondContact O-N 2.81Å; Y296-E298 PolarHBondContact O-N 3.28Å; E298-H300 PolarHBondContact O-N 2.97Å; E298-H300 VanDerWaalsContact O-N 3.17Å; E298-K301 PolarHBondContact O-N 3.26Å; E298-P304 HydrophobicContact CG-CG 3.58Å; E298-P304 VanDerWaalsContact OE1-CG 3.29Å; E298-P304 WeakPolarHBondContact OE1-CG 3.46Å
299K95.6Very high96.6Very high173 Ų17367.5 Ų67.575%0.75234%0.344SS*.Hα-helixtrans-58.2-29.4174-175-177.3177.5-175.90111.9K295 Y296 M297K295-K299 PolarHBondContact O-N 2.7Å; Y296-K299 WeakPolarHBondContact O-CB 3.49Å; Y296-K299 PolarHBondContact O-N 2.87Å; M297-K299 PolarHBondContact O-N 3.23Å
300H93.2Very high96.8Very high26 Ų2667.3 Ų67.312%0.1233%0.332CS..THydrogen-bonded Turntrans-95.515.5176.2-68.5-97.6000113.7T229 E231 Y296 M297 E298 V302T229-H300 HydrophobicContact CG2-CB 3.58Å; E231-H300 IonicContact OE1-CE1 2.74Å; E231-H300 IonicContact OE2-CE1 2.74Å; E231-H300 PolarHBondContact OE2-CE1 3.13Å; E231-H300 VanDerWaalsContact OE2-CE1 3.32Å; Y296-H300 AromaticContact CZ-NE2 3.86Å; Y296-H300 PolarHBondContact O-CD2 3.4Å; Y296-H300 VanDerWaalsContact O-CD2 3.28Å; Y296-H300 PolarHBondContact O-N 3.34Å; M297-H300 CarbonylContact O-C 3.3Å; M297-H300 VanDerWaalsContact O-C 3.3Å; M297-H300 WeakPolarHBondContact O-CA 3.44Å; M297-H300 PolarHBondContact O-N 3.29Å; E298-H300 PolarHBondContact O-N 2.97Å; E298-H300 VanDerWaalsContact O-N 3.17Å; H300-V302 VanDerWaalsContact C-N 3.31Å; H300-V302 PolarHBondContact O-N 2.8Å
301K94Very high97Very high176 Ų17661.1 Ų61.177%0.76530%0.299SS*.THydrogen-bonded Turntrans64.628.7175-49.1-179179.3-175.40114.4M297 E298M297-K301 PolarHBondContact O-N 2.84Å; E298-K301 PolarHBondContact O-N 3.26Å
302V95Very high97Very high19 Ų1959.5 Ų59.512%0.11529%0.288CS..  trans-102124.1170.4176.60000108.6L228 M297 H300 V308 F309L228-V302 HydrophobicContact CB-CG2 4.4Å; M297-V302 CarbonylContact C-O 3.39Å; M297-V302 HydrophobicContact CB-CB 4.13Å; M297-V302 HydrophobicContact CB-CG1 4.47Å; M297-V302 HydrophobicContact CE-CB 3.85Å; M297-V302 HydrophobicContact CE-CG1 4Å; M297-V302 HydrophobicContact CE-CG2 3.71Å; M297-V302 PolarHBondContact O-N 3.37Å; H300-V302 VanDerWaalsContact C-N 3.31Å; H300-V302 PolarHBondContact O-N 2.8Å; V302-V308 HydrophobicContact CG1-CG1 4.44Å; V302-F309 HydrophobicContact CG1-CB 4.2Å
303K96.3Very high97.1Very high147 Ų14761.9 Ų61.964%0.63930%0.295SS*.  trans-77.3134-174.5-58.9-174.3176-1750111.5D305 S306 F309K303-D305 VanDerWaalsContact C-N 3.29Å; K303-D305 VanDerWaalsContact CB-OD1 3.24Å; K303-D305 WeakPolarHBondContact CB-OD1 3.47Å; K303-D305 PolarHBondContact O-N 3.22Å; K303-S306 WeakPolarHBondContact O-CB 3.36Å; K303-S306 PolarHBondContact O-N 3.01Å; K303-S306 VanDerWaalsContact O-N 3.17Å; K303-S306 PolarHBondContact O-OG 3.34Å; K303-F309 VanDerWaalsContact O-CB 3.29Å; K303-F309 WeakPolarHBondContact O-CB 3.39Å
304P95.9Very high97.1Very high36 Ų3665.7 Ų65.723%0.23431%0.311CS..THydrogen-bonded Turntrans-66.1-25.8-177.5-22.834000115.2I294 E298 S306 F309I294-P304 HydrophobicContact CG2-CB 4.02Å; I294-P304 HydrophobicContact CG2-CG 3.68Å; E298-P304 HydrophobicContact CG-CG 3.58Å; E298-P304 VanDerWaalsContact OE1-CG 3.29Å; E298-P304 WeakPolarHBondContact OE1-CG 3.46Å; P304-S306 VanDerWaalsContact C-N 3.32Å; P304-F309 HydrophobicContact CB-CD1 4.34Å; P304-F309 HydrophobicContact CB-CE1 4.34Å; P304-F309 WeakPolarHBondContact O-CD1 3.36Å
305D95.6Very high97.1Very high128 Ų12862.6 Ų62.668%0.68430%0.295SS*.THydrogen-bonded Turntrans-85.1-6.2178.263.2-26000112.9K303K303-D305 VanDerWaalsContact C-N 3.29Å; K303-D305 VanDerWaalsContact CB-OD1 3.24Å; K303-D305 WeakPolarHBondContact CB-OD1 3.47Å; K303-D305 PolarHBondContact O-N 3.22Å
306S97.6Very high97.2Very high32 Ų3257.6 Ų57.622%0.22427%0.273CS..SBendtrans-74.3145-179.970.90000112.4K303 P304 V308 F309 L310K303-S306 WeakPolarHBondContact O-CB 3.36Å; K303-S306 PolarHBondContact O-N 3.01Å; K303-S306 VanDerWaalsContact O-N 3.17Å; K303-S306 PolarHBondContact O-OG 3.34Å; P304-S306 VanDerWaalsContact C-N 3.32Å; S306-V308 PolarHBondContact O-N 3.43Å; S306-F309 PolarHBondContact O-N 2.73Å; S306-F309 PolarHBondContact OG-N 3.04Å; S306-L310 WeakPolarHBondContact O-CG 3.28Å; S306-L310 PolarHBondContact O-N 2.99Å
307K97.9Very high97.2Very high72 Ų7258 Ų5831%0.31328%0.279SS..Hα-helixtrans-56.6-35.4175.6-62.6-178.4-173.7146.80112.7F309 L310 L311 A333 Y334 E337K307-F309 VanDerWaalsContact C-N 3.35Å; K307-F309 PolarHBondContact O-N 3.31Å; K307-L310 PolarHBondContact O-N 3.44Å; K307-L311 WeakPolarHBondContact O-CB 3.23Å; K307-L311 PolarHBondContact O-N 3.3Å; K307-A333 HydrophobicContact CD-CB 4.07Å; K307-A333 WeakPolarHBondContact CD-O 3.43Å; K307-Y334 HydrophobicContact CB-CD2 4.34Å; K307-E337 HydrophobicContact CD-CB 4.18Å; K307-E337 WeakPolarHBondContact CD-OE1 3.41Å; K307-E337 WeakPolarHBondContact CE-OE1 3.22Å; K307-E337 IonicContact NZ-OE1 3.51Å; K307-E337 PolarHBondContact NZ-OE1 3.39Å
308V97.4Very high97.2Very high25 Ų2559.1 Ų59.115%0.15229%0.285CS..Hα-helixtrans-51.8-52.6171.7174.90000111F224 L228 V302 S306 L312 Y334F224-V308 HydrophobicContact CE1-CG1 4.49Å; F224-V308 WeakPolarHBondContact CE1-O 3.29Å; F224-V308 HydrophobicContact CE2-CG1 4.36Å; F224-V308 HydrophobicContact CZ-CG1 3.76Å; L228-V308 HydrophobicContact CD1-CG1 3.58Å; L228-V308 HydrophobicContact CD2-CG1 3.59Å; L228-V308 HydrophobicContact CG-CG1 4.24Å; V302-V308 HydrophobicContact CG1-CG1 4.44Å; S306-V308 PolarHBondContact O-N 3.43Å; V308-L312 WeakPolarHBondContact O-CB 3.35Å; V308-L312 PolarHBondContact O-N 2.86Å; V308-L312 VanDerWaalsContact O-N 3.08Å; V308-Y334 HydrophobicContact CB-CD2 4.46Å; V308-Y334 HydrophobicContact CB-CE2 4.19Å; V308-Y334 HydrophobicContact CG2-CD2 3.72Å; V308-Y334 HydrophobicContact CG2-CE2 3.17Å
309F98.5Very high97.3Very high2 Ų254.6 Ų54.61%0.00926%0.264CS..Hα-helixtrans-68.6-42.9-178.1176.6-90.4000111.7L293 I294 M297 V302 K303 P304 S306 K307 L311 L312 Q313L293-F309 HydrophobicContact CD2-CE2 4.37Å; L293-F309 HydrophobicContact CD2-CZ 4.49Å; L293-F309 HydrophobicContact CG-CE2 3.96Å; L293-F309 HydrophobicContact CG-CZ 4.27Å; I294-F309 HydrophobicContact CB-CZ 4.21Å; I294-F309 HydrophobicContact CG1-CE1 3.93Å; I294-F309 HydrophobicContact CG1-CE2 4.4Å; I294-F309 HydrophobicContact CG1-CZ 3.45Å; I294-F309 VanDerWaalsContact CG1-CZ 3.45Å; M297-F309 HydrophobicContact CB-CD2 3.82Å; M297-F309 HydrophobicContact CB-CE2 3.81Å; M297-F309 HydrophobicContact CG-CD2 3.91Å; M297-F309 HydrophobicContact CG-CE2 3.78Å; V302-F309 HydrophobicContact CG1-CB 4.2Å; K303-F309 VanDerWaalsContact O-CB 3.29Å; K303-F309 WeakPolarHBondContact O-CB 3.39Å; P304-F309 HydrophobicContact CB-CD1 4.34Å; P304-F309 HydrophobicContact CB-CE1 4.34Å; P304-F309 WeakPolarHBondContact O-CD1 3.36Å; S306-F309 PolarHBondContact O-N 2.73Å; S306-F309 PolarHBondContact OG-N 3.04Å; K307-F309 VanDerWaalsContact C-N 3.35Å; K307-F309 PolarHBondContact O-N 3.31Å; F309-L311 VanDerWaalsContact C-N 3.32Å; F309-L311 PolarHBondContact O-N 2.75Å; F309-L312 WeakPolarHBondContact O-CB 3.31Å; F309-L312 PolarHBondContact O-N 3.42Å; F309-L312 VanDerWaalsContact O-N 3.15Å; F309-Q313 HydrophobicContact CE1-CB 4.38Å; F309-Q313 PolarHBondContact O-N 3.25Å
310L98.6Very high97.4Very high73 Ų7347.6 Ų47.638%0.38224%0.236SC..Hα-helixtrans-61.5-41.3-180-64176000111.6S306 K307 Q313 K314S306-L310 WeakPolarHBondContact O-CG 3.28Å; S306-L310 PolarHBondContact O-N 2.99Å; K307-L310 PolarHBondContact O-N 3.44Å; L310-Q313 PolarHBondContact O-N 2.72Å; L310-K314 WeakPolarHBondContact O-CG 3.36Å; L310-K314 PolarHBondContact O-N 3.01Å
311L98.8Very high97.6Very high0 Ų051.4 Ų51.40%026%0.261CS..Hα-helixtrans-64.3-45.3172.8178.357.6000111.5L132 F224 K307 F309 Q313 K314 L315 A329 D332 Y334 F335L132-L311 HydrophobicContact CD2-CD2 3.76Å; F224-L311 HydrophobicContact CE1-CD2 4.44Å; F224-L311 HydrophobicContact CE1-CG 4.39Å; K307-L311 WeakPolarHBondContact O-CB 3.23Å; K307-L311 PolarHBondContact O-N 3.3Å; F309-L311 VanDerWaalsContact C-N 3.32Å; F309-L311 PolarHBondContact O-N 2.75Å; L311-Q313 VanDerWaalsContact C-N 3.29Å; L311-Q313 PolarHBondContact O-N 3.24Å; L311-K314 PolarHBondContact O-N 3.22Å; L311-L315 HydrophobicContact CD1-CD1 4.36Å; L311-L315 HydrophobicContact CD1-CG 4.33Å; L311-L315 HydrophobicContact CG-CD1 4.13Å; L311-L315 WeakPolarHBondContact O-CG 3.5Å; L311-L315 PolarHBondContact O-N 3.3Å; L311-A329 HydrophobicContact CD1-CB 4.1Å; L311-D332 HydrophobicContact CD1-CB 3.92Å; L311-D332 HydrophobicContact CD2-CB 4.39Å; L311-Y334 HydrophobicContact CD2-CD1 3.56Å; L311-Y334 HydrophobicContact CD2-CE1 4.4Å; L311-Y334 HydrophobicContact CD2-CG 4.2Å; L311-F335 HydrophobicContact CD2-CE2 3.95Å; L311-F335 HydrophobicContact CD2-CZ 4.01Å
312L98.8Very high97.8Very high0 Ų047.8 Ų47.80%025%0.245CC..Hα-helixtrans-57.3-42.6177.5178.463.5000112.1G221 F224 A225 L228 L293 M297 V308 F309 K314 L315 L316G221-L312 WeakPolarHBondContact O-CD1 2.98Å; F224-L312 HydrophobicContact CB-CD1 4.18Å; F224-L312 HydrophobicContact CD1-CB 3.86Å; F224-L312 HydrophobicContact CD1-CD1 3.7Å; F224-L312 HydrophobicContact CD1-CG 4.35Å; F224-L312 HydrophobicContact CE1-CB 3.86Å; F224-L312 HydrophobicContact CG-CD1 4.25Å; A225-L312 HydrophobicContact CB-CD1 3.99Å; A225-L312 HydrophobicContact CB-CD2 4.11Å; L228-L312 HydrophobicContact CD1-CD2 4.21Å; L293-L312 HydrophobicContact CD2-CG 4.46Å; M297-L312 HydrophobicContact CE-CD2 3.61Å; M297-L312 HydrophobicContact CG-CD2 4.14Å; M297-L312 HydrophobicContact SD-CD2 3.82Å; V308-L312 WeakPolarHBondContact O-CB 3.35Å; V308-L312 PolarHBondContact O-N 2.86Å; V308-L312 VanDerWaalsContact O-N 3.08Å; F309-L312 WeakPolarHBondContact O-CB 3.31Å; F309-L312 PolarHBondContact O-N 3.42Å; F309-L312 VanDerWaalsContact O-N 3.15Å; L312-K314 VanDerWaalsContact C-N 3.34Å; L312-K314 PolarHBondContact O-N 3.47Å; L312-L315 PolarHBondContact O-N 2.7Å; L312-L316 HydrophobicContact CD1-CD1 3.68Å; L312-L316 HydrophobicContact CD1-CG 4.03Å; L312-L316 HydrophobicContact CG-CD1 4.12Å; L312-L316 WeakPolarHBondContact O-CB 3.4Å; L312-L316 PolarHBondContact O-N 3.47Å
313Q98.7Very high97.9Very high83 Ų8347.6 Ų47.639%0.38824%0.243SC..Hα-helixtrans-63.1-39.3178.8-172.3177.439.200112.2L293 F309 L310 L311 L316 T317L293-Q313 HydrophobicContact CD2-CB 4.28Å; L293-Q313 HydrophobicContact CD2-CG 4.49Å; F309-Q313 HydrophobicContact CE1-CB 4.38Å; F309-Q313 PolarHBondContact O-N 3.25Å; L310-Q313 PolarHBondContact O-N 2.72Å; L311-Q313 VanDerWaalsContact C-N 3.29Å; L311-Q313 PolarHBondContact O-N 3.24Å; Q313-L316 CarbonylContact O-C 3.31Å; Q313-L316 PolarHBondContact O-N 3.33Å; Q313-T317 PolarHBondContact O-N 3.15Å; Q313-T317 PolarHBondContact O-OG1 3.31Å
314K98.8Very high98Very high87 Ų8741.6 Ų41.638%0.37822%0.217SC..Hα-helixtrans-65.7-38.5175.1-65.7171.4-168.1175.70112.1L310 L311 L312 T317 I324 D332L310-K314 WeakPolarHBondContact O-CG 3.36Å; L310-K314 PolarHBondContact O-N 3.01Å; L311-K314 PolarHBondContact O-N 3.22Å; L312-K314 VanDerWaalsContact C-N 3.34Å; L312-K314 PolarHBondContact O-N 3.47Å; K314-T317 PolarHBondContact O-OG1 3.14Å; K314-I324 HydrophobicContact CB-CB 4.09Å; K314-I324 HydrophobicContact CB-CD1 4.32Å; K314-I324 HydrophobicContact CB-CG2 3.87Å; K314-I324 HydrophobicContact CD-CD1 3.93Å; K314-I324 PolarHBondContact O-N 3.42Å; K314-D332 IonicContact NZ-OD2 2.79Å; K314-D332 PolarHBondContact NZ-OD2 3.23Å
315L98.8Very high98.2Very high0 Ų042.7 Ų42.70%022%0.224CC..Hα-helixtrans-69.1-41.4176.6-65.7168000112.1L136 I217 F224 L311 L312 T317 R323 I324 A329L136-L315 HydrophobicContact CD2-CD2 4.49Å; I217-L315 HydrophobicContact CG2-CB 4.46Å; I217-L315 HydrophobicContact CG2-CD2 3.49Å; I217-L315 VanDerWaalsContact CG2-CD2 3.49Å; F224-L315 HydrophobicContact CD1-CD1 3.94Å; L311-L315 HydrophobicContact CD1-CD1 4.36Å; L311-L315 HydrophobicContact CD1-CG 4.33Å; L311-L315 HydrophobicContact CG-CD1 4.13Å; L311-L315 WeakPolarHBondContact O-CG 3.5Å; L311-L315 PolarHBondContact O-N 3.3Å; L312-L315 PolarHBondContact O-N 2.7Å; L315-T317 VanDerWaalsContact C-N 3.31Å; L315-T317 PolarHBondContact O-N 2.91Å; L315-R323 VanDerWaalsContact O-CD 3.29Å; L315-R323 WeakPolarHBondContact O-CD 3.42Å; L315-R323 VanDerWaalsContact O-CG 3.3Å; L315-R323 WeakPolarHBondContact O-CG 3.08Å; L315-I324 HydrophobicContact CD2-CG2 3.78Å; L315-I324 HydrophobicContact CG-CG2 4.27Å; L315-A329 HydrophobicContact CD2-CB 4.24Å
316L98.8Very high98.3Very high0 Ų036.9 Ų36.90%019%0.193CC..THydrogen-bonded Turntrans-92.329.2-179.8-67.9-178000113.6W218 I233 F234 M259 L293 L312 Q313 M318W218-L316 HydrophobicContact CD2-CD2 4.05Å; W218-L316 HydrophobicContact CE3-CD2 4.06Å; W218-L316 HydrophobicContact CH2-CD2 4.47Å; W218-L316 HydrophobicContact CZ2-CD2 4.45Å; W218-L316 HydrophobicContact CZ3-CB 4.37Å; W218-L316 HydrophobicContact CZ3-CD2 4.28Å; W218-L316 WeakPolarHBondContact CZ3-O 3.29Å; I233-L316 HydrophobicContact CD1-CD1 3.84Å; F234-L316 HydrophobicContact CE2-CD2 4.05Å; F234-L316 HydrophobicContact CZ-CD1 4.31Å; F234-L316 HydrophobicContact CZ-CD2 4.43Å; M259-L316 HydrophobicContact CE-CB 4.06Å; M259-L316 WeakPolarHBondContact CE-O 3.41Å; L293-L316 HydrophobicContact CD1-CD1 4.41Å; L293-L316 HydrophobicContact CD2-CB 4.46Å; L293-L316 HydrophobicContact CD2-CD1 4.45Å; L312-L316 HydrophobicContact CD1-CD1 3.68Å; L312-L316 HydrophobicContact CD1-CG 4.03Å; L312-L316 HydrophobicContact CG-CD1 4.12Å; L312-L316 WeakPolarHBondContact O-CB 3.4Å; L312-L316 PolarHBondContact O-N 3.47Å; Q313-L316 CarbonylContact O-C 3.31Å; Q313-L316 PolarHBondContact O-N 3.33Å; L316-M318 PolarHBondContact O-N 3.33Å
317T98.8Very high98.4Very high38 Ų3840.9 Ų40.923%0.23321%0.208CC..  trans-70.7127172.3-66.20000110Q313 K314 L315 K322 R323Q313-T317 PolarHBondContact O-N 3.15Å; Q313-T317 PolarHBondContact O-OG1 3.31Å; K314-T317 PolarHBondContact O-OG1 3.14Å; L315-T317 VanDerWaalsContact C-N 3.31Å; L315-T317 PolarHBondContact O-N 2.91Å; T317-K322 HydrophobicContact CG2-CB 3.81Å; T317-R323 PolarHBondContact O-NE 3.24Å; T317-R323 PolarHBondContact O-NH2 2.95Å; T317-R323 VanDerWaalsContact O-NH2 3.09Å
318M98.3Very high98.4Very high23 Ų2342.5 Ų42.511%0.11322%0.217CC..SBendtrans-65-46.2-174.2-74.5-173.2-85.400112.5W218 F256 M259 P262 W267 L316 P320 R323W218-M318 HydrophobicContact CH2-CG 4.43Å; W218-M318 HydrophobicContact CZ3-CG 4.37Å; F256-M318 HydrophobicContact CE1-SD 4.47Å; M259-M318 HydrophobicContact CB-CE 4.24Å; M259-M318 HydrophobicContact CB-SD 4.29Å; P262-M318 HydrophobicContact CB-CE 3.67Å; P262-M318 HydrophobicContact CB-SD 4Å; P262-M318 HydrophobicContact CG-CE 4.25Å; P262-M318 HydrophobicContact CG-SD 4.02Å; W267-M318 HydrophobicContact CE3-CB 4.11Å; W267-M318 HydrophobicContact CZ3-CB 4.43Å; L316-M318 PolarHBondContact O-N 3.33Å; M318-P320 WeakPolarHBondContact O-CD 3.42Å; M318-R323 PolarHBondContact O-NH2 2.85Å
319D98.3Very high98.5Very high6 Ų641.3 Ų41.33%0.03221%0.209CC..SBendtrans-67.8115.5174.4-174.1-22.8000110D266 W267 T321 K322 R323D266-D319 WeakPolarHBondContact O-CB 3.22Å; W267-D319 HydrophobicContact CB-CB 3.9Å; W267-D319 VanDerWaalsContact CD1-CG 3.42Å; W267-D319 HydrophobicContact CD2-CB 4.39Å; W267-D319 HydrophobicContact CG-CB 3.75Å; D319-T321 VanDerWaalsContact CG-OG1 3.29Å; D319-T321 PolarHBondContact O-N 3.22Å; D319-T321 VanDerWaalsContact O-N 3.16Å; D319-T321 WeakPolarHBondContact OD1-CB 3.33Å; D319-T321 PolarHBondContact OD1-N 3.44Å; D319-T321 PolarHBondContact OD1-OG1 2.99Å; D319-T321 PolarHBondContact OD2-OG1 3Å; D319-K322 HydrophobicContact CB-CB 4.25Å; D319-K322 HydrophobicContact CB-CD 4.09Å; D319-K322 HydrophobicContact CB-CG 4.22Å; D319-K322 PolarHBondContact O-N 3.02Å; D319-K322 VanDerWaalsContact O-N 3.15Å; D319-K322 WeakPolarHBondContact OD2-CE 3.2Å; D319-K322 IonicContact OD2-NZ 3.84Å; D319-R323 PolarHBondContact O-N 3.05Å
320P97.1Very high98.5Very high26 Ų2642.1 Ų42.117%0.16921%0.214CC..THydrogen-bonded Turntrans-63.8-21.4-177.526.1-34.6000113.4E203 A214 M318E203-P320 HydrophobicContact CB-CG 4.35Å; E203-P320 HydrophobicContact CG-CB 4.43Å; E203-P320 HydrophobicContact CG-CG 4.26Å; A214-P320 HydrophobicContact CB-CB 3.9Å; A214-P320 WeakPolarHBondContact CB-O 3.44Å; M318-P320 WeakPolarHBondContact O-CD 3.42Å
321T96.7Very high98.5Very high107 Ų10746 Ų4666%0.65623%0.23SC*.THydrogen-bonded Turntrans-79.9-22179.369.60000113D319D319-T321 VanDerWaalsContact CG-OG1 3.29Å; D319-T321 PolarHBondContact O-N 3.22Å; D319-T321 VanDerWaalsContact O-N 3.16Å; D319-T321 WeakPolarHBondContact OD1-CB 3.33Å; D319-T321 PolarHBondContact OD1-N 3.44Å; D319-T321 PolarHBondContact OD1-OG1 2.99Å; D319-T321 PolarHBondContact OD2-OG1 3Å
322K98.3Very high98.5Very high99 Ų9946.7 Ų46.743%0.4323%0.234SC..THydrogen-bonded Turntrans-98.2-7177.7-61.9176.8-172.31630112.7K265 D266 T317 D319K265-K322 PolarHBondContact O-NZ 2.73Å; D266-K322 PolarHBondContact O-NZ 3.48Å; T317-K322 HydrophobicContact CG2-CB 3.81Å; D319-K322 HydrophobicContact CB-CB 4.25Å; D319-K322 HydrophobicContact CB-CD 4.09Å; D319-K322 HydrophobicContact CB-CG 4.22Å; D319-K322 PolarHBondContact O-N 3.02Å; D319-K322 VanDerWaalsContact O-N 3.15Å; D319-K322 WeakPolarHBondContact OD2-CE 3.2Å; D319-K322 IonicContact OD2-NZ 3.84Å
323R98.5Very high98.4Very high15 Ų1548.9 Ų48.96%0.05725%0.252CS..SBendtrans-71.1133178.7-160.9177.5-61.4142.54.8109.9E203 A214 I217 L315 T317 M318 D319E203-R323 IonicContact OE1-CZ 3.79Å; E203-R323 IonicContact OE1-NH1 2.72Å; E203-R323 PolarHBondContact OE1-NH1 2.95Å; E203-R323 IonicContact OE1-NH2 3.53Å; E203-R323 PolarHBondContact OE1-NH2 3.38Å; E203-R323 IonicContact OE2-CZ 2.86Å; E203-R323 IonicContact OE2-NH1 3.46Å; E203-R323 IonicContact OE2-NH2 3.85Å; E203-R323 PolarHBondContact OE2-NH2 3.48Å; A214-R323 VanDerWaalsContact O-CD 3.3Å; A214-R323 WeakPolarHBondContact O-CD 3.4Å; A214-R323 PolarHBondContact O-NH1 3.24Å; I217-R323 HydrophobicContact CB-CG 4.45Å; I217-R323 HydrophobicContact CG2-CG 3.98Å; L315-R323 VanDerWaalsContact O-CD 3.29Å; L315-R323 WeakPolarHBondContact O-CD 3.42Å; L315-R323 VanDerWaalsContact O-CG 3.3Å; L315-R323 WeakPolarHBondContact O-CG 3.08Å; T317-R323 PolarHBondContact O-NE 3.24Å; T317-R323 PolarHBondContact O-NH2 2.95Å; T317-R323 VanDerWaalsContact O-NH2 3.09Å; M318-R323 PolarHBondContact O-NH2 2.85Å; D319-R323 PolarHBondContact O-N 3.05Å
324I98.8Very high98.4Very high21 Ų2145.2 Ų45.211%0.10824%0.235CC..PPolyproline II helixtrans-60.9150.1-179.1-166.7165.8000111.6I217 K314 L315 Q328 A329I217-I324 HydrophobicContact CG2-CG2 4.44Å; I217-I324 WeakPolarHBondContact CG2-O 3.45Å; K314-I324 HydrophobicContact CB-CB 4.09Å; K314-I324 HydrophobicContact CB-CD1 4.32Å; K314-I324 HydrophobicContact CB-CG2 3.87Å; K314-I324 HydrophobicContact CD-CD1 3.93Å; K314-I324 PolarHBondContact O-N 3.42Å; L315-I324 HydrophobicContact CD2-CG2 3.78Å; L315-I324 HydrophobicContact CG-CG2 4.27Å; I324-Q328 HydrophobicContact CD1-CB 3.66Å; I324-Q328 HydrophobicContact CG1-CB 3.27Å; I324-Q328 HydrophobicContact CG1-CG 4.33Å; I324-A329 HydrophobicContact CD1-CB 4.41Å; I324-A329 HydrophobicContact CG2-CB 4.42Å
325T98.8Very high98.4Very high60 Ų6041.5 Ų41.537%0.36822%0.218SC..PPolyproline II helixtrans-81.8166.117270.90000111.8E327 Q328 A329T325-E327 VanDerWaalsContact C-N 3.31Å; T325-E327 PolarHBondContact O-N 2.98Å; T325-Q328 PolarHBondContact O-N 2.86Å; T325-Q328 WeakPolarHBondContact OG1-CG 3.47Å; T325-Q328 PolarHBondContact OG1-N 3.04Å; T325-Q328 VanDerWaalsContact OG1-N 3.17Å; T325-Q328 PolarHBondContact OG1-OE1 3.1Å; T325-A329 WeakPolarHBondContact O-CB 3.33Å; T325-A329 PolarHBondContact O-N 2.96Å
326S98.6Very high98.3Very high5 Ų548 Ų484%0.03525%0.253CS..Hα-helixtrans-60.6-39.8173.247.90000112.5H140 A329 L330H140-S326 WeakPolarHBondContact CA-OG 3.36Å; S326-A329 PolarHBondContact O-N 3.37Å; S326-L330 WeakPolarHBondContact O-CG 3.27Å; S326-L330 PolarHBondContact O-N 3.35Å
327E98.5Very high98.2Very high117 Ų11751.5 Ų51.555%0.54727%0.269SS..Hα-helixtrans-60.8-50.4175.5-179.6178.8-150.600111.8T325 A329 L330 Q331T325-E327 VanDerWaalsContact C-N 3.31Å; T325-E327 PolarHBondContact O-N 2.98Å; E327-A329 VanDerWaalsContact C-N 3.28Å; E327-A329 PolarHBondContact O-N 3.45Å; E327-L330 PolarHBondContact O-N 3.06Å; E327-Q331 WeakPolarHBondContact O-CG 3.47Å; E327-Q331 PolarHBondContact O-N 2.91Å
328Q98.8Very high98Very high105 Ų10556.5 Ų56.549%0.49129%0.29SS..Hα-helixtrans-63.8-36178.5-71.4170.5-29.600111.6I324 T325 Q331I324-Q328 HydrophobicContact CD1-CB 3.66Å; I324-Q328 HydrophobicContact CG1-CB 3.27Å; I324-Q328 HydrophobicContact CG1-CG 4.33Å; T325-Q328 PolarHBondContact O-N 2.86Å; T325-Q328 WeakPolarHBondContact OG1-CG 3.47Å; T325-Q328 PolarHBondContact OG1-N 3.04Å; T325-Q328 VanDerWaalsContact OG1-N 3.17Å; T325-Q328 PolarHBondContact OG1-OE1 3.1Å; Q328-Q331 PolarHBondContact O-N 3.27Å
329A98.8Very high97.9Very high0 Ų058.4 Ų58.40%030%0.304CS..Hα-helixtrans-66.4-41.6176.200000112.1L136 L311 L315 I324 T325 S326 E327 Q331 D332 F335L136-A329 HydrophobicContact CD1-CB 3.79Å; L136-A329 HydrophobicContact CD2-CB 3.92Å; L311-A329 HydrophobicContact CD1-CB 4.1Å; L315-A329 HydrophobicContact CD2-CB 4.24Å; I324-A329 HydrophobicContact CD1-CB 4.41Å; I324-A329 HydrophobicContact CG2-CB 4.42Å; T325-A329 WeakPolarHBondContact O-CB 3.33Å; T325-A329 PolarHBondContact O-N 2.96Å; S326-A329 PolarHBondContact O-N 3.37Å; E327-A329 VanDerWaalsContact C-N 3.28Å; E327-A329 PolarHBondContact O-N 3.45Å; A329-Q331 PolarHBondContact O-N 3.18Å; A329-D332 WeakPolarHBondContact O-CB 3.38Å; A329-D332 PolarHBondContact O-N 2.9Å; A329-F335 WeakPolarHBondContact O-CD2 3.41Å; A329-F335 WeakPolarHBondContact O-CE2 3.48Å
330L98.7Very high97.9Very high20 Ų2062.1 Ų62.111%0.10532%0.323CS..Hα-helixtrans-60.3-28.2176.1-75.6165.1000112.9Y133 L136 D137 H140 S326 E327 D332Y133-L330 HydrophobicContact CD2-CD2 3.84Å; Y133-L330 HydrophobicContact CE1-CD2 4.35Å; Y133-L330 HydrophobicContact CE2-CD2 3.69Å; Y133-L330 HydrophobicContact CG-CD2 4.27Å; L136-L330 HydrophobicContact CB-CD2 3.7Å; L136-L330 HydrophobicContact CB-CG 3.91Å; D137-L330 HydrophobicContact CB-CD2 4.39Å; H140-L330 HydrophobicContact CB-CD1 3.97Å; S326-L330 WeakPolarHBondContact O-CG 3.27Å; S326-L330 PolarHBondContact O-N 3.35Å; E327-L330 PolarHBondContact O-N 3.06Å; L330-D332 VanDerWaalsContact C-N 3.34Å
331Q98.4Very high98Very high153 Ų15362.7 Ų62.772%0.71533%0.327SS*.THydrogen-bonded Turntrans-883.8176.9-59-58.7-28.800113.7E327 Q328 A329E327-Q331 WeakPolarHBondContact O-CG 3.47Å; E327-Q331 PolarHBondContact O-N 2.91Å; Q328-Q331 PolarHBondContact O-N 3.27Å; A329-Q331 PolarHBondContact O-N 3.18Å
332D98.8Very high98Very high15 Ų1560.2 Ų60.28%0.0831%0.312CS..SBendtrans-69.2142.9-178.1-167.1-79.6000112L311 K314 A329 L330 Y334 F335L311-D332 HydrophobicContact CD1-CB 3.92Å; L311-D332 HydrophobicContact CD2-CB 4.39Å; K314-D332 IonicContact NZ-OD2 2.79Å; K314-D332 PolarHBondContact NZ-OD2 3.23Å; A329-D332 WeakPolarHBondContact O-CB 3.38Å; A329-D332 PolarHBondContact O-N 2.9Å; L330-D332 VanDerWaalsContact C-N 3.34Å; D332-Y334 PolarHBondContact O-N 3.39Å; D332-Y334 WeakPolarHBondContact OD1-CB 3.42Å; D332-Y334 PolarHBondContact OD1-N 3.48Å; D332-F335 PolarHBondContact O-N 3.06Å
333A98Very high98Very high47 Ų4760.7 Ų60.739%0.38832%0.323SS..THydrogen-bonded Turntrans-58.3-18-179.500000113.9K307 F335 L336 E337K307-A333 HydrophobicContact CD-CB 4.07Å; K307-A333 WeakPolarHBondContact CD-O 3.43Å; A333-F335 PolarHBondContact O-N 3.25Å; A333-L336 PolarHBondContact O-N 3.34Å; A333-E337 PolarHBondContact O-N 3.44Å
334Y98.4Very high98Very high6 Ų661.1 Ų61.12%0.02433%0.327CS..THydrogen-bonded Turntrans-55.5-37.9171175.1-124.6000113K129 L132 F224 K307 V308 L311 D332 L336 E337K129-Y334 HydrophobicContact CB-CE1 4.13Å; K129-Y334 WeakPolarHBondContact CB-OH 3.34Å; K129-Y334 HydrophobicContact CD-CE1 4.41Å; K129-Y334 HydrophobicContact CD-CE2 4.37Å; K129-Y334 VanDerWaalsContact CE-CZ 3.5Å; K129-Y334 VanDerWaalsContact CE-O 3.27Å; K129-Y334 WeakPolarHBondContact CE-O 3.44Å; K129-Y334 HydrophobicContact CG-CD1 4.34Å; K129-Y334 HydrophobicContact CG-CE1 3.69Å; K129-Y334 HydrophobicContact CG-CE2 4.38Å; K129-Y334 PolarHBondContact NZ-O 3.02Å; L132-Y334 HydrophobicContact CD2-CD1 4.48Å; L132-Y334 HydrophobicContact CD2-CE1 4.14Å; F224-Y334 HydrophobicContact CE2-CE1 4.37Å; F224-Y334 AromaticContact CZ-CE1 3.95Å; F224-Y334 HydrophobicContact CZ-CE1 3.95Å; K307-Y334 HydrophobicContact CB-CD2 4.34Å; V308-Y334 HydrophobicContact CB-CD2 4.46Å; V308-Y334 HydrophobicContact CB-CE2 4.19Å; V308-Y334 HydrophobicContact CG2-CD2 3.72Å; V308-Y334 HydrophobicContact CG2-CE2 3.17Å; L311-Y334 HydrophobicContact CD2-CD1 3.56Å; L311-Y334 HydrophobicContact CD2-CE1 4.4Å; L311-Y334 HydrophobicContact CD2-CG 4.2Å; D332-Y334 PolarHBondContact O-N 3.39Å; D332-Y334 WeakPolarHBondContact OD1-CB 3.42Å; D332-Y334 PolarHBondContact OD1-N 3.48Å; Y334-L336 VanDerWaalsContact C-N 3.33Å; Y334-E337 PolarHBondContact O-N 3.01Å
335F98.5Very high98Very high8 Ų860.2 Ų60.24%0.03532%0.322CS..THydrogen-bonded Turntrans-81.1-14-179-62.5-56.3000113.7K129 L132 Y133 L136 L311 A329 D332 A333 L340 P341K129-F335 HydrophobicContact CD-CD1 4.2Å; K129-F335 HydrophobicContact CG-CD1 3.68Å; K129-F335 HydrophobicContact CG-CE1 3.89Å; L132-F335 HydrophobicContact CB-CZ 4.44Å; L132-F335 HydrophobicContact CD2-CE1 4.34Å; L132-F335 HydrophobicContact CD2-CZ 3.82Å; L132-F335 HydrophobicContact CG-CE1 4.47Å; L132-F335 HydrophobicContact CG-CZ 3.94Å; Y133-F335 HydrophobicContact CD2-CB 4.2Å; Y133-F335 AromaticContact CD2-CD1 3.69Å; Y133-F335 HydrophobicContact CD2-CD1 3.69Å; Y133-F335 AromaticContact CD2-CD2 3.99Å; Y133-F335 HydrophobicContact CD2-CD2 3.99Å; Y133-F335 AromaticContact CD2-CE1 3.97Å; Y133-F335 HydrophobicContact CD2-CE1 3.97Å; Y133-F335 HydrophobicContact CD2-CE2 4.25Å; Y133-F335 AromaticContact CD2-CG 3.69Å; Y133-F335 HydrophobicContact CD2-CG 3.69Å; Y133-F335 HydrophobicContact CD2-CZ 4.25Å; Y133-F335 HydrophobicContact CE2-CB 4.45Å; Y133-F335 HydrophobicContact CE2-CG 4.32Å; Y133-F335 HydrophobicContact CG-CD1 4.36Å; Y133-F335 HydrophobicContact CG-CE1 4.37Å; L136-F335 HydrophobicContact CD1-CE2 3.79Å; L136-F335 HydrophobicContact CD1-CZ 3.74Å; L311-F335 HydrophobicContact CD2-CE2 3.95Å; L311-F335 HydrophobicContact CD2-CZ 4.01Å; A329-F335 WeakPolarHBondContact O-CD2 3.41Å; A329-F335 WeakPolarHBondContact O-CE2 3.48Å; D332-F335 PolarHBondContact O-N 3.06Å; A333-F335 PolarHBondContact O-N 3.25Å; F335-L340 WeakPolarHBondContact O-CD2 3.27Å; F335-P341 HydrophobicContact CB-CG 4.19Å; F335-P341 HydrophobicContact CD1-CG 3.8Å; F335-P341 HydrophobicContact CG-CG 4.4Å; F335-P341 WeakPolarHBondContact O-CD 3.01Å
336L96.9Very high98Very high138 Ų13858 Ų5872%0.72331%0.307SS*.THydrogen-bonded Turntrans-91.2-12.9174-54.8179.7000112.8A333 Y334A333-L336 PolarHBondContact O-N 3.34Å; Y334-L336 VanDerWaalsContact C-N 3.33Å
337E96.5Very high97.9Very high72 Ų7260.8 Ų60.834%0.33633%0.331SS..SBendtrans-81.7144.1177.3-176.2169.8-94.200111.3K129 K307 A333 Y334 P339K129-E337 PolarHBondContact NZ-O 2.92Å; K307-E337 HydrophobicContact CD-CB 4.18Å; K307-E337 WeakPolarHBondContact CD-OE1 3.41Å; K307-E337 WeakPolarHBondContact CE-OE1 3.22Å; K307-E337 IonicContact NZ-OE1 3.51Å; K307-E337 PolarHBondContact NZ-OE1 3.39Å; A333-E337 PolarHBondContact O-N 3.44Å; Y334-E337 PolarHBondContact O-N 3.01Å; E337-P339 CarbonylContact O-C 3.57Å; E337-P339 VanDerWaalsContact O-C 3.31Å
338E95Very high97.8Very high143 Ų14358.1 Ų58.167%0.66833%0.334SS*.SBendtrans-68.2143.6172.7-70.8-66.4172.900112L340E338-L340 PolarHBondContact OE2-N 3.19Å
339P95.9Very high97.6Very high64 Ų6457 Ų5742%0.41634%0.337SS..SBendcis-69.9140.9-7.729.9-34.9000111.5K129 E337K129-P339 WeakPolarHBondContact CD-O 3.46Å; K129-P339 VanDerWaalsContact CE-O 3.3Å; K129-P339 WeakPolarHBondContact CE-O 3.41Å; K129-P339 PolarHBondContact NZ-O 3.48Å; E337-P339 CarbonylContact O-C 3.57Å; E337-P339 VanDerWaalsContact O-C 3.31Å
340L98Very high97.5Very high84 Ų8465.6 Ų65.644%0.4438%0.378SS..PPolyproline II helixtrans-66.1154.3172.9-63.3-179.8000112.2F335 E338F335-L340 WeakPolarHBondContact O-CD2 3.27Å; E338-L340 PolarHBondContact OE2-N 3.19Å
341P98.4Very high97.5Very high37 Ų3765.8 Ų65.824%0.2438%0.378CS..PPolyproline II helixtrans-59.1143.1171-18.629.8000112K129 Y133 F335K129-P341 HydrophobicContact CD-CG 4.03Å; K129-P341 HydrophobicContact CG-CG 4.06Å; Y133-P341 HydrophobicContact CD1-CB 4.36Å; Y133-P341 HydrophobicContact CD2-CB 4.33Å; Y133-P341 HydrophobicContact CD2-CG 3.94Å; Y133-P341 HydrophobicContact CG-CB 3.96Å; Y133-P341 HydrophobicContact CG-CG 4.06Å; F335-P341 HydrophobicContact CB-CG 4.19Å; F335-P341 HydrophobicContact CD1-CG 3.8Å; F335-P341 HydrophobicContact CG-CG 4.4Å; F335-P341 WeakPolarHBondContact O-CD 3.01Å
342T98.5Very high97.3Very high55 Ų5561.7 Ų61.734%0.33737%0.365SS..  trans-118.1149.6179.3550000110.9S130 Q134 D344S130-T342 WeakPolarHBondContact CB-O 3.08Å; S130-T342 PolarHBondContact OG-N 2.86Å; S130-T342 PolarHBondContact OG-OG1 3.42Å; Q134-T342 PolarHBondContact NE2-O 3.11Å; T342-D344 WeakPolarHBondContact CB-O 3.49Å; T342-D344 PolarHBondContact OG1-O 3.15Å
343T98Very high97.1Very high109 Ų10961.9 Ų61.967%0.66937%0.365SS*.SBendtrans-68.6-37.1175.751.60000112.3Q134Q134-T343 PolarHBondContact NE2-O 2.82Å
344D98.6Very high97Very high25 Ų2564 Ų6413%0.13438%0.375CS..SBendtrans-91.5109.2166.2172.99.4000108.2R166 G167 T342 F346 A347 G348R166-D344 IonicContact CZ-OD2 2.7Å; R166-D344 IonicContact NH1-OD1 3.32Å; R166-D344 IonicContact NH1-OD2 2.73Å; R166-D344 PolarHBondContact NH1-OD2 3.41Å; R166-D344 WeakPolarHBondContact O-CA 3.5Å; R166-D344 WeakPolarHBondContact O-CB 3.21Å; G167-D344 WeakPolarHBondContact CA-OD1 3.12Å; T342-D344 WeakPolarHBondContact CB-O 3.49Å; T342-D344 PolarHBondContact OG1-O 3.15Å; D344-F346 PolarHBondContact O-N 3.1Å; D344-F346 VanDerWaalsContact O-N 3.17Å; D344-F346 WeakPolarHBondContact OD1-CA 3.16Å; D344-F346 WeakPolarHBondContact OD1-CB 3.47Å; D344-F346 WeakPolarHBondContact OD1-CD2 3.38Å; D344-F346 PolarHBondContact OD1-N 3.43Å; D344-A347 PolarHBondContact O-N 3.16Å; D344-G348 PolarHBondContact OD2-N 3.24Å
345V98.5Very high96.8Very high2 Ų270.5 Ų70.51%0.01240%0.403CS..THydrogen-bonded Turntrans-64.9-18.1-178.3-57.90000112.8M127 L131 V159 G167 V169 A347M127-V345 WeakPolarHBondContact CA-O 3.35Å; M127-V345 VanDerWaalsContact CB-O 3.29Å; M127-V345 WeakPolarHBondContact CB-O 3.3Å; M127-V345 HydrophobicContact CE-CG2 4.42Å; M127-V345 HydrophobicContact CG-CB 4.29Å; M127-V345 HydrophobicContact CG-CG2 4.46Å; M127-V345 VanDerWaalsContact CG-O 3.31Å; M127-V345 WeakPolarHBondContact CG-O 3.27Å; L131-V345 HydrophobicContact CD2-CB 4.2Å; L131-V345 HydrophobicContact CD2-CG1 3.91Å; L131-V345 HydrophobicContact CD2-CG2 4.08Å; L131-V345 HydrophobicContact CG-CB 4.21Å; L131-V345 HydrophobicContact CG-CG1 4.11Å; L131-V345 HydrophobicContact CG-CG2 4.46Å; V159-V345 HydrophobicContact CG1-CG2 3.85Å; G167-V345 WeakPolarHBondContact O-CG1 3.42Å; G167-V345 WeakPolarHBondContact O-CG2 3.48Å; G167-V345 PolarHBondContact O-N 3.02Å; V169-V345 HydrophobicContact CG2-CG1 4.36Å; V345-A347 VanDerWaalsContact C-N 3.33Å
346F98Very high96.6Very high13 Ų1372.4 Ų72.46%0.05741%0.41CS..THydrogen-bonded Turntrans-88.5-2.5174.8-46.3-58.4000112.5M127 V159 R166 G167 D344 G348 C349 I351 Y353M127-F346 HydrophobicContact CE-CD1 3.96Å; M127-F346 HydrophobicContact CE-CE1 3.63Å; M127-F346 HydrophobicContact SD-CD1 4.23Å; M127-F346 HydrophobicContact SD-CE1 4.49Å; V159-F346 HydrophobicContact CG1-CE1 4.35Å; V159-F346 HydrophobicContact CG1-CE2 3.94Å; V159-F346 HydrophobicContact CG1-CZ 3.51Å; R166-F346 HydrophobicContact CG-CD2 4.47Å; G167-F346 VanDerWaalsContact CA-CE2 3.48Å; D344-F346 PolarHBondContact O-N 3.1Å; D344-F346 VanDerWaalsContact O-N 3.17Å; D344-F346 WeakPolarHBondContact OD1-CA 3.16Å; D344-F346 WeakPolarHBondContact OD1-CB 3.47Å; D344-F346 WeakPolarHBondContact OD1-CD2 3.38Å; D344-F346 PolarHBondContact OD1-N 3.43Å; F346-G348 VanDerWaalsContact C-N 3.26Å; F346-G348 PolarHBondContact O-N 3.28Å; F346-C349 VanDerWaalsContact O-CB 3.25Å; F346-C349 WeakPolarHBondContact O-CB 3.42Å; F346-C349 PolarHBondContact O-N 3.29Å; F346-I351 HydrophobicContact CD2-CD1 3.66Å; F346-I351 HydrophobicContact CD2-CG1 3.79Å; F346-I351 HydrophobicContact CE1-CG2 4.42Å; F346-I351 HydrophobicContact CE2-CD1 3.55Å; F346-I351 HydrophobicContact CE2-CG1 4.04Å; F346-I351 HydrophobicContact CE2-CG2 4.49Å; F346-I351 HydrophobicContact CG-CD1 4.47Å; F346-I351 HydrophobicContact CG-CG1 4.12Å; F346-I351 HydrophobicContact CZ-CD1 4.31Å; F346-I351 HydrophobicContact CZ-CG2 4.27Å; F346-Y353 HydrophobicContact CD1-CE2 4.04Å; F346-Y353 AromaticContact CE1-CD2 3.97Å; F346-Y353 HydrophobicContact CE1-CD2 3.97Å; F346-Y353 AromaticContact CE1-CE2 3.53Å; F346-Y353 HydrophobicContact CE1-CE2 3.53Å; F346-Y353 HydrophobicContact CZ-CD2 4.47Å; F346-Y353 HydrophobicContact CZ-CE2 4.43Å
347A96.8Very high96.3Very high64 Ų6473.8 Ų73.853%0.52941%0.412SS..THydrogen-bonded Turntrans51.539.5176.100000113.9D344 V345 C349D344-A347 PolarHBondContact O-N 3.16Å; V345-A347 VanDerWaalsContact C-N 3.33Å; A347-C349 PolarHBondContact O-N 3.32Å; A347-C349 VanDerWaalsContact O-N 3.11Å
348G95.8Very high96.1Very high60 Ų6075.3 Ų75.362%0.61942%0.418SS*.THydrogen-bonded Turntrans71-4-176.700000115.3D344 F346D344-G348 PolarHBondContact OD2-N 3.24Å; F346-G348 VanDerWaalsContact C-N 3.26Å; F346-G348 PolarHBondContact O-N 3.28Å
349C96.1Very high95.8Very high83 Ų8371.8 Ų71.856%0.56140%0.404SS*.SBendtrans-70.9154174.5-61.20000111.1R166 F346 A347 I351R166-C349 PolarHBondContact NH1-O 3.33Å; R166-C349 PolarHBondContact NH2-O 3.49Å; F346-C349 VanDerWaalsContact O-CB 3.25Å; F346-C349 WeakPolarHBondContact O-CB 3.42Å; F346-C349 PolarHBondContact O-N 3.29Å; A347-C349 PolarHBondContact O-N 3.32Å; A347-C349 VanDerWaalsContact O-N 3.11Å; C349-I351 PolarHBondContact O-N 2.8Å
350Q96.4Very high95.1Very high180 Ų18074.7 Ų74.784%0.84142%0.416SS*.  trans-55.5135.2174.8-174.3179.49.300111.1P352Q350-P352 VanDerWaalsContact O-CD 3.29Å; Q350-P352 WeakPolarHBondContact O-CD 3.41Å
351I96.9Very high93.5Very high23 Ų2375.8 Ų75.812%0.11842%0.419CS..  trans-78.5115.7177.5-50.4-177.9000108.9E162 R166 F346 C349 Y353E162-I351 HydrophobicContact CG-CD1 4.26Å; E162-I351 WeakPolarHBondContact OE1-CD1 3.27Å; R166-I351 VanDerWaalsContact NH2-CG1 3.26Å; F346-I351 HydrophobicContact CD2-CD1 3.66Å; F346-I351 HydrophobicContact CD2-CG1 3.79Å; F346-I351 HydrophobicContact CE1-CG2 4.42Å; F346-I351 HydrophobicContact CE2-CD1 3.55Å; F346-I351 HydrophobicContact CE2-CG1 4.04Å; F346-I351 HydrophobicContact CE2-CG2 4.49Å; F346-I351 HydrophobicContact CG-CD1 4.47Å; F346-I351 HydrophobicContact CG-CG1 4.12Å; F346-I351 HydrophobicContact CZ-CD1 4.31Å; F346-I351 HydrophobicContact CZ-CG2 4.27Å; C349-I351 PolarHBondContact O-N 2.8Å; I351-Y353 VanDerWaalsContact C-N 3.34Å; I351-Y353 HydrophobicContact CG2-CD2 3.48Å; I351-Y353 VanDerWaalsContact CG2-CD2 3.48Å; I351-Y353 HydrophobicContact CG2-CE2 4.23Å; I351-Y353 HydrophobicContact CG2-CG 4.25Å
352P94.6Very high91.6Very high67 Ų6781.5 Ų81.544%0.43545%0.447SS..  trans-86.9-6.6-177.736.2-36.3000113.1F110 Q350F110-P352 HydrophobicContact CE1-CB 4.26Å; F110-P352 HydrophobicContact CE1-CG 4.24Å; F110-P352 HydrophobicContact CZ-CB 4.23Å; Q350-P352 VanDerWaalsContact O-CD 3.29Å; Q350-P352 WeakPolarHBondContact O-CD 3.41Å
353Y95.7Very high89.4Confident20 Ų2083 Ų838%0.07845%0.45CS..SBendtrans-79.2134.5-172.9-48.9-61.3000110.8I107 F110 H111 M127 F346 I351I107-Y353 HydrophobicContact CB-CE1 4.34Å; I107-Y353 HydrophobicContact CD1-CD2 4.4Å; I107-Y353 HydrophobicContact CD1-CE2 4.39Å; I107-Y353 HydrophobicContact CG1-CD1 4.13Å; I107-Y353 HydrophobicContact CG1-CD2 3.98Å; I107-Y353 HydrophobicContact CG1-CE1 4.23Å; I107-Y353 HydrophobicContact CG1-CE2 4.14Å; I107-Y353 HydrophobicContact CG1-CG 4.02Å; I107-Y353 HydrophobicContact CG2-CE1 3.85Å; I107-Y353 HydrophobicContact CG2-CE2 4.43Å; F110-Y353 HydrophobicContact CB-CD1 4.25Å; F110-Y353 AromaticContact CD1-CD1 3.59Å; F110-Y353 HydrophobicContact CD1-CD1 3.59Å; F110-Y353 AromaticContact CD1-CE1 3.61Å; F110-Y353 HydrophobicContact CD1-CE1 3.61Å; F110-Y353 HydrophobicContact CE1-CD1 4.01Å; F110-Y353 HydrophobicContact CE1-CE1 4.03Å; F110-Y353 AromaticContact CG-CD1 3.99Å; F110-Y353 HydrophobicContact CG-CD1 3.99Å; F110-Y353 HydrophobicContact CG-CE1 4.39Å; H111-Y353 AromaticContact CD2-CE1 3.83Å; H111-Y353 AromaticContact NE2-CE1 3.41Å; H111-Y353 WeakPolarHBondContact NE2-CE1 3.36Å; H111-Y353 AromaticContact NE2-CZ 3.66Å; H111-Y353 PolarHBondContact NE2-OH 3.08Å; M127-Y353 HydrophobicContact CE-CE2 3.88Å; M127-Y353 WeakPolarHBondContact CE-OH 3.5Å; M127-Y353 PolarHBondContact SD-OH 3.43Å; F346-Y353 HydrophobicContact CD1-CE2 4.04Å; F346-Y353 AromaticContact CE1-CD2 3.97Å; F346-Y353 HydrophobicContact CE1-CD2 3.97Å; F346-Y353 AromaticContact CE1-CE2 3.53Å; F346-Y353 HydrophobicContact CE1-CE2 3.53Å; F346-Y353 HydrophobicContact CZ-CD2 4.47Å; F346-Y353 HydrophobicContact CZ-CE2 4.43Å; I351-Y353 VanDerWaalsContact C-N 3.34Å; I351-Y353 HydrophobicContact CG2-CD2 3.48Å; I351-Y353 VanDerWaalsContact CG2-CD2 3.48Å; I351-Y353 HydrophobicContact CG2-CE2 4.23Å; I351-Y353 HydrophobicContact CG2-CG 4.25Å
354P95.3Very high86.9Confident92 Ų9281.6 Ų81.660%0.59744%0.443SS*.PPolyproline II helixtrans-63152.4174.828.1-34.3000110.8
355K94.9Very high84.6Confident141 Ų14187 Ų8761%0.61347%0.467SS*.PPolyproline II helixtrans-66.4159.9168.9-65.4-167176.3-169.50110.4E101 E357E101-K355 HydrophobicContact CG-CB 4.36Å; E101-K355 HydrophobicContact CG-CG 4.03Å; E101-K355 WeakPolarHBondContact OE1-CA 3.25Å; E101-K355 WeakPolarHBondContact OE1-CB 3.48Å; K355-E357 PolarHBondContact O-N 3.31Å
356R92.9Very high81.8Confident49 Ų4994.6 Ų94.619%0.18550%0.503CS..PPolyproline II helixtrans-64.5135.2175.2-60-174.1-173.6-100-5.1110.2V27 Y99 A100 E101 H102 D103V27-R356 HydrophobicContact CB-CB 4.36Å; V27-R356 HydrophobicContact CG1-CB 4.23Å; Y99-R356 WeakPolarHBondContact OH-CD 3.39Å; A100-R356 PolarHBondContact O-NE 3.11Å; E101-R356 WeakPolarHBondContact O-CG 3.14Å; E101-R356 PolarHBondContact O-NE 3.14Å; E101-R356 PolarHBondContact OE1-N 2.94Å; H102-R356 PolarHBondContact O-NH2 3.04Å; D103-R356 IonicContact OD2-CZ 3.09Å; D103-R356 IonicContact OD2-NH1 2.84Å; D103-R356 PolarHBondContact OD2-NH1 3.31Å; D103-R356 IonicContact OD2-NH2 3.18Å; D103-R356 PolarHBondContact OD2-NH2 3.45Å
357E91.4Very high78.9Confident166 Ų16699.9 Ų99.978%0.77653%0.526SS*.PPolyproline II helixtrans-79.3149.4171.8-65.6178.6178.800110.3K355K355-E357 PolarHBondContact O-N 3.31Å
358F92.6Very high76.2Confident104 Ų10498.2 Ų98.246%0.45651%0.509SS..PPolyproline II helixtrans-79.5141.3173.5-61.4-50.6000111C25 K26 V27 K37C25-F358 HydrophobicContact CB-CD1 4.29Å; C25-F358 HydrophobicContact CB-CE1 3.9Å; C25-F358 HydrophobicContact CB-CZ 4.29Å; K26-F358 CarbonylContact O-C 2.98Å; K26-F358 VanDerWaalsContact O-CA 3.27Å; K26-F358 WeakPolarHBondContact O-CA 3.22Å; V27-F358 HydrophobicContact CG1-CD1 3.71Å; V27-F358 HydrophobicContact CG1-CE1 3.83Å; K37-F358 HydrophobicContact CB-CE1 4.01Å; K37-F358 HydrophobicContact CD-CE1 4.11Å; K37-F358 HydrophobicContact CD-CZ 4.27Å
359L88.7Confident73.3Confident69 Ų69101 Ų10136%0.36151%0.51SS..PPolyproline II helixtrans-91.9126.2175.8-57.2177.6000108.9K26 R29K26-L359 HydrophobicContact CB-CB 4.4Å; K26-L359 HydrophobicContact CD-CB 4.43Å; K26-L359 HydrophobicContact CG-CB 4.35Å; K26-L359 PolarHBondContact O-N 3.21Å; R29-L359 HydrophobicContact CB-CD1 4.48Å
360N81.5Confident70.4Confident125 Ų125103 Ų10367%0.66851%0.509SS*.PPolyproline II helixtrans-68.2138.3174.7-65.7-24.5000110.5D362 E363N360-D362 VanDerWaalsContact C-N 3.3Å; N360-D362 PolarHBondContact O-N 2.79Å; N360-E363 HydrophobicContact CB-CG 4.5Å
361E64.6Low67.4Low108 Ų10897 Ų9751%0.50548%0.483SS..THydrogen-bonded Turntrans-74.6-20.8-177.4-53.7-154.1118.100113.5K26K26-E361 VanDerWaalsContact CE-OE1 3.27Å; K26-E361 WeakPolarHBondContact CE-OE1 3.29Å; K26-E361 IonicContact NZ-OE1 2.88Å; K26-E361 PolarHBondContact NZ-OE1 3.26Å
362D57.8Low64.7Low157 Ų157101.5 Ų101.584%0.8450%0.503SS*.THydrogen-bonded Turntrans-89.33.1-176.3-62.2-42.7000114.7N360 P364N360-D362 VanDerWaalsContact C-N 3.3Å; N360-D362 PolarHBondContact O-N 2.79Å; D362-P364 VanDerWaalsContact O-CD 3.32Å; D362-P364 WeakPolarHBondContact O-CD 3.47Å
363E52.3Low62Low86 Ų86100.8 Ų100.840%0.40250%0.498SS..SBendtrans-73.8118.3175-78.5-121.9138.700110.4N360N360-E363 HydrophobicContact CB-CG 4.5Å
364P44.8Very low59.2Low80 Ų80103.5 Ų103.552%0.51951%0.511SS..  trans-62.1144-176.322-31000112.1D362 E366 K367D362-P364 VanDerWaalsContact O-CD 3.32Å; D362-P364 WeakPolarHBondContact O-CD 3.47Å; P364-E366 PolarHBondContact O-N 2.68Å; P364-K367 PolarHBondContact O-N 2.62Å
365E50.8Low56.5Low137 Ų137103.8 Ų103.864%0.6450%0.504SS*.Hα-helixtrans-50-30.1-173.6-55.5-170.1126.200114.1R29 K367R29-E365 IonicContact NH2-OE1 2.72Å; R29-E365 PolarHBondContact NH2-OE1 2.58Å; R29-E365 VanDerWaalsContact NH2-OE1 3.09Å; E365-K367 PolarHBondContact O-N 3.19Å
366E39.4Very low53.9Low162 Ų16299.8 Ų99.876%0.75749%0.488SS*.Hα-helixtrans-72.4-22.4-179.4-70.9-169149.100115P364P364-E366 PolarHBondContact O-N 2.68Å
367K37.3Very low51.4Low125 Ų125103 Ų10354%0.54351%0.505SS..Hα-helixtrans-86.7-23.8178.5-79.7-173.9178.9177.90112.7P364 E365 N371P364-K367 PolarHBondContact O-N 2.62Å; E365-K367 PolarHBondContact O-N 3.19Å; K367-N371 VanDerWaalsContact O-CB 3.27Å; K367-N371 WeakPolarHBondContact O-CB 3.49Å; K367-N371 VanDerWaalsContact O-CG 3.25Å; K367-N371 PolarHBondContact O-N 3.21Å; K367-N371 PolarHBondContact O-ND2 3.17Å
368T40Very low48.5Very low28 Ų28102.7 Ų102.717%0.17250%0.504CS..Hα-helixtrans-84.5-33.4-178.16.90000113.3K370 N371 Q372T368-K370 VanDerWaalsContact C-N 3.3Å; T368-N371 CarbonylContact O-C 3.59Å; T368-N371 PolarHBondContact O-N 3.33Å; T368-Q372 PolarHBondContact O-N 2.79Å
369D35.3Very low45.8Very low120 Ų120103.7 Ų103.764%0.64252%0.518SS*.Hα-helixtrans-66.3-37.4169.2-85.5-19.5000111.2T373D369-T373 VanDerWaalsContact O-CB 3.26Å; D369-T373 WeakPolarHBondContact O-CB 3.32Å; D369-T373 PolarHBondContact O-N 3.25Å; D369-T373 PolarHBondContact O-OG1 2.97Å
370K34.6Very low43.3Very low125 Ų125107 Ų10754%0.54354%0.541SS..Hα-helixtrans-67.2-36.2166.4-75.3-179.5-176.3169.90111.4T368 T373 Q374T368-K370 VanDerWaalsContact C-N 3.3Å; K370-T373 CarbonylContact O-C 3.53Å; K370-T373 PolarHBondContact O-N 3.42Å; K370-Q374 HydrophobicContact CB-CG 4.39Å; K370-Q374 WeakPolarHBondContact O-CA 3.37Å; K370-Q374 WeakPolarHBondContact O-CB 3.41Å; K370-Q374 WeakPolarHBondContact O-CG 3.38Å; K370-Q374 PolarHBondContact O-N 2.89Å
371N34.5Very low41.1Very low54 Ų54104.7 Ų104.729%0.28955%0.547SS..Hα-helixtrans-78.1-30.2-179.6-82.2-23.6000115K367 T368 T373 Q375K367-N371 VanDerWaalsContact O-CB 3.27Å; K367-N371 WeakPolarHBondContact O-CB 3.49Å; K367-N371 VanDerWaalsContact O-CG 3.25Å; K367-N371 PolarHBondContact O-N 3.21Å; K367-N371 PolarHBondContact O-ND2 3.17Å; T368-N371 CarbonylContact O-C 3.59Å; T368-N371 PolarHBondContact O-N 3.33Å; N371-T373 VanDerWaalsContact C-N 3.29Å; N371-Q375 HydrophobicContact CB-CG 4.2Å; N371-Q375 WeakPolarHBondContact O-CA 3.29Å; N371-Q375 WeakPolarHBondContact O-CB 3.36Å; N371-Q375 WeakPolarHBondContact O-CG 3.29Å; N371-Q375 PolarHBondContact O-N 2.9Å
372Q39.4Very low39.6Very low116 Ų116108.5 Ų108.554%0.54257%0.565SS.*Hα-helixtrans-71.6-30.4170.4-75.6-172.98.800111.7R29 T368R29-Q372 PolarHBondContact O-NE2 3Å; T368-Q372 PolarHBondContact O-N 2.79Å
373T37Very low38.4Very low52 Ų52107.6 Ų107.632%0.31957%0.565SS.*Hα-helixtrans-88.1-29.2178.4-400000113.2Q238 D369 K370 N371Q238-T373 VanDerWaalsContact OE1-CG2 3.24Å; D369-T373 VanDerWaalsContact O-CB 3.26Å; D369-T373 WeakPolarHBondContact O-CB 3.32Å; D369-T373 PolarHBondContact O-N 3.25Å; D369-T373 PolarHBondContact O-OG1 2.97Å; K370-T373 CarbonylContact O-C 3.53Å; K370-T373 PolarHBondContact O-N 3.42Å; N371-T373 VanDerWaalsContact C-N 3.29Å
374Q37.1Very low37.4Very low77 Ų77113.3 Ų113.336%0.3659%0.592SS.*Hα-helixtrans-103.8-19.4-178.9-63.5-179.5-17.800114.3K370 H376 Q377 Q378K370-Q374 HydrophobicContact CB-CG 4.39Å; K370-Q374 WeakPolarHBondContact O-CA 3.37Å; K370-Q374 WeakPolarHBondContact O-CB 3.41Å; K370-Q374 WeakPolarHBondContact O-CG 3.38Å; K370-Q374 PolarHBondContact O-N 2.89Å; Q374-H376 PolarHBondContact O-N 3.17Å; Q374-Q377 HydrophobicContact CB-CB 4.35Å; Q374-Q377 CarbonylContact O-C 3.44Å; Q374-Q377 VanDerWaalsContact O-CA 3.32Å; Q374-Q377 WeakPolarHBondContact O-CA 3.27Å; Q374-Q377 WeakPolarHBondContact O-CB 3.24Å; Q374-Q377 PolarHBondContact O-N 3.17Å; Q374-Q378 PolarHBondContact O-N 3.04Å; Q374-Q378 VanDerWaalsContact O-N 3.11Å
375Q38.8Very low36.7Very low98 Ų98113 Ų11346%0.45860%0.603SS.*THydrogen-bonded Turntrans-70.2-12.6164.6-73.5-175.17.700111.7N371 Q377N371-Q375 HydrophobicContact CB-CG 4.2Å; N371-Q375 WeakPolarHBondContact O-CA 3.29Å; N371-Q375 WeakPolarHBondContact O-CB 3.36Å; N371-Q375 WeakPolarHBondContact O-CG 3.29Å; N371-Q375 PolarHBondContact O-N 2.9Å; Q375-Q377 VanDerWaalsContact C-N 3.28Å
376H41Very low35.5Very low57 Ų57115.5 Ų115.526%0.26462%0.615SS.*THydrogen-bonded Turntrans-81.2-4.5162-116.4101.2000113.7W105 W198 Q374W105-H376 AromaticContact NE1-CE1 3.39Å; W105-H376 PolarHBondContact NE1-CE1 2.85Å; W105-H376 AromaticContact NE1-ND1 3.88Å; W198-H376 AromaticContact CH2-CD2 3.39Å; W198-H376 WeakPolarHBondContact CH2-CD2 3.3Å; W198-H376 AromaticContact CH2-CE1 3.77Å; W198-H376 AromaticContact CH2-CG 3.83Å; W198-H376 AromaticContact CH2-NE2 3.38Å; W198-H376 WeakPolarHBondContact CH2-NE2 3.33Å; W198-H376 AromaticContact CZ3-CD2 3.81Å; W198-H376 AromaticContact CZ3-CE1 3.57Å; W198-H376 AromaticContact CZ3-NE2 3.26Å; W198-H376 VanDerWaalsContact CZ3-NE2 3.26Å; W198-H376 WeakPolarHBondContact CZ3-NE2 3.38Å; Q374-H376 PolarHBondContact O-N 3.17Å
377Q40.4Very low35Very low117 Ų117114.6 Ų114.655%0.54762%0.621SS.*THydrogen-bonded Turntrans-127.4-11-161.7-13617354.300114.9Q374 Q375Q374-Q377 HydrophobicContact CB-CB 4.35Å; Q374-Q377 CarbonylContact O-C 3.44Å; Q374-Q377 VanDerWaalsContact O-CA 3.32Å; Q374-Q377 WeakPolarHBondContact O-CA 3.27Å; Q374-Q377 WeakPolarHBondContact O-CB 3.24Å; Q374-Q377 PolarHBondContact O-N 3.17Å; Q375-Q377 VanDerWaalsContact C-N 3.28Å
378Q31Very low34.5Very low160 Ų160118.1 Ų118.175%0.74864%0.639SS**SBendtrans-114.483.9172.5-79.2-173.83.100113Q374Q374-Q378 PolarHBondContact O-N 3.04Å; Q374-Q378 VanDerWaalsContact O-N 3.11Å
379T35.3Very low33.9Very low124 Ų124126 Ų12676%0.76167%0.674SS**SBendtrans-176.36714419.90000110.2
380T37.2Very low33.6Very low138 Ų138129.7 Ų129.785%0.84769%0.687SS**  trans-158.326.7159.113.80000114.2
381G34.1Very low33.3Very low77 Ų77128.8 Ų128.879%0.79470%0.703SS**  trans-102.165.9176.400000112.6
382Q33.7Very low32.9Very low188 Ų188131.2 Ų131.288%0.87973%0.73SS**  trans-168.880.4159.7-109174.530.600111
383T33.4Very low32.4Very low138 Ų138130 Ų13085%0.84774%0.74SS**  trans-160.877.2153.1-5.80000109.4
384Q30.3Very low32.1Very low207 Ų207136.9 Ų136.997%0.96777%0.769SS**  trans-155104.4155.3-109.917612.400108
385G29.1Very low31.6Very low73 Ų73142.7 Ų142.775%0.75380%0.796SS**  trans169.165.4-179.900000110.6
386Q26.9Very low31.2Very low190 Ų190142.7 Ų142.789%0.88881%0.813SS**  trans-174.693.3152.8-105.7169.715.100110.2
387T27.7Very low30.8Very low142 Ų142145.8 Ų145.887%0.87184%0.838SS**  trans-160.489.5147.7-6.50000108.3
388Q28.2Very low30.2Very low200 Ų200145.6 Ų145.694%0.93585%0.849SS**  trans-175.799.6141.9-105.2170.313.100108.8
389Q27.4Very low30.1Very low192 Ų192146.6 Ų146.690%0.89785%0.854SS**  trans-144.8101.5157.5-137.717626.500106.8
390Q28.8Very low29.8Very low199 Ų199147.8 Ų147.893%0.9385%0.851SS**  trans-162.2138.5147.9-112.1170.71000110.8
391A28.2Very low29.3Very low106 Ų106148 Ų14888%0.87685%0.847SS**  trans81.785.916800000117.9
392A26.6Very low29Very low104 Ų104149.1 Ų149.186%0.8684%0.843SS**  trans-104.9123.1143.700000108.2
393A28.6Very low28.8Very low91 Ų91144.1 Ų144.175%0.75283%0.833SS**  trans169.4111.4141.200000109.3
394Q29.6Very low28.6Very low197 Ų197145.7 Ų145.792%0.92183%0.831SS**  179.4131112.4-94.71697.700110.5
395Q28.3Very low28.5Very low199 Ų199141.3 Ų141.393%0.9382%0.819SS**  trans-71.4148.9178-67.8161-38.800111
396A29.5Very low28.4Very low97 Ų97145.7 Ų145.780%0.80283%0.825SS**  trans-146.3150149.500000109.7
397P33.4Very low28.5Very low123 Ų123139.7 Ų139.780%0.79981%0.814SS**  trans-100.5165.6-143.437-33.1000115.3
398S26Very low28.5Very low112 Ų112138.9 Ų138.978%0.78381%0.809SS**  trans-48.5141167.249.60000116.4
399Q29Very low28.5Very low182 Ų182135.7 Ų135.785%0.8580%0.803SS**  trans-159146.7140.1-92.5-173.70.700106.1
400Q29.4Very low28.5Very low149 Ų149129.7 Ų129.770%0.69679%0.794SS**  cis-175.4144.7-20.3-157.3176.3-6.400103.7
401N27.5Very low28.4Very low143 Ų143126.3 Ų126.377%0.76579%0.786SS**  trans66.8143.6161.7-70.1-9.9000117.7
402S27.7Very low28.4Very low100 Ų100127.7 Ų127.770%0.69978%0.784SS**  cis-176.7150.7-4.442.30000107.3
403A28.2Very low28.4Very low82 Ų82126.6 Ų126.668%0.67878%0.783SS**  trans80.2127.4143.800000120.7
404Q30.3Very low28.3Very low171 Ų171127 Ų12780%0.79979%0.786SS**  trans80.3100.6136.6-75.2173.9-14.900117.5
405T27.2Very low28.2Very low116 Ų116122.8 Ų122.871%0.71279%0.785SS**  80.6133.875.859.80000114.5
406N28.5Very low28.2Very low164 Ų164117.4 Ų117.488%0.87778%0.783SS**  trans88.8123.9158.9-69.2-7.9000119.2
407G28.3Very low28.1Very low65 Ų65116.6 Ų116.667%0.6778%0.784SS**  129.186.1105.200000117
408T28.1Very low27.9Very low125 Ų125115 Ų11577%0.76779%0.79SS**  23.1121.2127.322.20000121.2
409T28.5Very low28Very low132 Ų132113.1 Ų113.181%0.8179%0.788SS**  55.8136.5124.957.70000123.4
410G26.7Very low28.1Very low67 Ų67112.7 Ų112.769%0.69179%0.788SS**  trans89.1148.9152.900000114
411T27.3Very low28.2Very low127 Ų127113.4 Ų113.478%0.77979%0.792SS**  cis179.5149.50.36.10000105.6
412T27.6Very low28.3Very low136 Ų136114.4 Ų114.483%0.83479%0.791SS**  trans63.4130.8142.558.40000123.7
413G26.2Very low28.4Very low80 Ų80115.2 Ų115.283%0.82579%0.792SS**  trans93.4148.1139.600000116
414A27.5Very low28.5Very low100 Ų100118.4 Ų118.483%0.82679%0.793SS**  cis-173.2164.4-11.100000106.8
415A27.5Very low28.4Very low109 Ų109116 Ų11690%0.90179%0.785SS**  trans90.2132.1146.500000122.2
416G27.8Very low28.5Very low85 Ų85119 Ų11988%0.87679%0.792SS**  trans107114.7152.300000113.9
417G27.2Very low28.5Very low80 Ų80114.6 Ų114.683%0.82578%0.784SS**  cis147.4134.19.800000108.9
418G28.8Very low29.6Very low89 Ų89117.5 Ų117.592%0.91879%0.791SS**  trans88.3128.9163.700000116.1
419G28.6Very low30.5Very low73 Ų73117.2 Ų117.275%0.75379%0.791SS**  cis177.11624.500000111.7
420M32.1Very low30.8Very low174 Ų174118.2 Ų118.286%0.85779%0.792SS**  trans67.898.8160.6-73.1163.9162.900118
421Q31.3Very low31Very low163 Ų163124.9 Ų124.976%0.76280%0.802SS**  94.2105.681.3-90.9179.8-22.900111.2
422H29.4Very low31.3Very low164 Ų164128.3 Ų128.376%0.75981%0.806SS**  66122.992-103.2-64.9000111.4
423V30Very low31.8Very low118 Ų118127.8 Ų127.872%0.71581%0.805SS**  -171.6123.961.1167.70000105.6
424Q28.9Very low31.8Very low149 Ų149135.4 Ų135.470%0.69681%0.809SS**  76.4122.585.2-134.1179.8-11.100115.7
425D29.2Very low32Very low119 Ų119138.6 Ų138.664%0.63681%0.81SS**  trans101.5146.3130.8-110.2-23.3000123.6
426Q29.5Very low32Very low181 Ų181136.5 Ų136.585%0.84680%0.799SS**  trans-72.6160.3-161-63156.148.300115.9
427G28.8Very low32.9Very low70 Ų70138.1 Ų138.172%0.72279%0.794SS**  trans134.3145.2136.600000117.4
428P51.6Low33Very low126 Ų126140 Ų14082%0.81880%0.795SS**  trans-97.5-171.6-160.646.3-38.6000111.5
429P46.9Very low32.9Very low119 Ų119139.8 Ų139.877%0.77379%0.792SS**  cis-154.6176.244.740.4-15000119.9
430N34Very low33Very low153 Ų153141.4 Ų141.482%0.81880%0.798SS**  trans22.1135.8150.1-101.3-18.4000122
431K31.1Very low32.9Very low207 Ų207138.2 Ų138.290%0.979%0.793SS**  trans-172.2131.4131.3-103.5161.6-170.6-178.40114
432K34.3Very low32.9Very low200 Ų200136.1 Ų136.187%0.8780%0.797SS**  trans-65.9162.1157.6-68.6177.7174.3177.70110.6
433P37.1Very low32.8Very low125 Ų125131.1 Ų131.181%0.81279%0.789SS**  -150.9-178.4100.133.7-13.7000112.4
434R27.1Very low32.8Very low239 Ų239133 Ų13390%0.90280%0.801SS**  cis-176.5149.8-27.2175.5175.5178.6173.80.4105.4
435I31.6Very low32.8Very low168 Ų168129.5 Ų129.586%0.86281%0.806SS**  trans-86147178.8-68.9168000112.8
436G27.1Very low32.8Very low64 Ų64129.8 Ų129.866%0.6681%0.812SS**  trans110.8169.2142.800000117.3
437P45.7Very low32.8Very low120 Ų120129.6 Ų129.678%0.77982%0.815SS**  cis-140.2-177-33.836.9-17.1000114.5
438S30.3Very low32.8Very low120 Ų120134.3 Ų134.384%0.83982%0.819SS**  trans85.3135.4148.4-49.20000121.7
439G27Very low31.8Very low83 Ų83133.3 Ų133.386%0.85682%0.815SS**  trans150.3104.3149.300000116
440A29.8Very low30.8Very low107 Ų107135.2 Ų135.288%0.88481%0.813SS**  trans-82.1152.5178.700000114.1
441S30.2Very low30.5Very low108 Ų108138.7 Ų138.776%0.75582%0.816SS**  trans-164.213013474.40000112.3
442S31.1Very low30.4Very low118 Ų118136.3 Ų136.383%0.82581%0.809SS**  trans-8.9149.3144.650.60000117.6
443G27.7Very low30.1Very low59 Ų59135.8 Ų135.861%0.60881%0.809SS**  cis158.9165.114.300000108.9
444T29.6Very low29.6Very low157 Ų157135.3 Ų135.396%0.96381%0.808SS**  trans69.2137.2172.268.50000116.4
445G28.4Very low29.7Very low77 Ų77129.5 Ų129.579%0.79480%0.804SS**  cis-151.2153.112.200000112.4
446V29.9Very low29.6Very low125 Ų125126.7 Ų126.776%0.75880%0.8SS**  trans-78.2132.8172.91710000108.5Q448V446-Q448 HydrophobicContact CG1-CG 4.46Å
447L30.4Very low29.7Very low176 Ų176135.5 Ų135.592%0.92181%0.813SS**  trans-128.2103.1154.9-91.8165000108.1
448Q27.2Very low28.9Very low170 Ų170137.3 Ų137.379%0.79482%0.815SS**  trans-62.8131.6160-85.4166.2-47.900108.7V446V446-Q448 HydrophobicContact CG1-CG 4.46Å
449S30.9Very low28.7Very low105 Ų105135 Ų13573%0.73481%0.81SS**  trans-105.3101.5157.160.40000108.3
450E26.1Very low28.7Very low159 Ų159141.8 Ų141.874%0.74381%0.812SS**  trans-59.2128.6158.9-66.3178.1131.400108.9
451Y28.6Very low28.6Very low225 Ų225145.5 Ų145.588%0.88281%0.811SS**  trans-117.199155-99.6-82.2000107.5
452Q28Very low28.5Very low158 Ų158145.2 Ų145.274%0.73881%0.809SS**  trans-68.5142.6171.4-79178.3-20.900110.9
453H28.2Very low28.3Very low189 Ų189148 Ų14888%0.87581%0.814SS**  trans-52.6131.8161.7-80.2-81.5000111.9
454S27.8Very low28.3Very low114 Ų114151.2 Ų151.280%0.79782%0.822SS**  trans-130.1102.9155.447.70000109
455S27.3Very low28.3Very low118 Ų118153.2 Ų153.283%0.82582%0.82SS**  trans-72121.4166.1-57.50000109.5
456S29.6Very low28.1Very low109 Ų109152.9 Ų152.976%0.76282%0.817SS**  trans-121.599.7163.747.20000108.8L458S456-L458 PolarHBondContact O-N 3.49Å
457R29.3Very low28Very low249 Ų249152.2 Ų152.294%0.9482%0.818SS**  trans-64.8121162.4-76.2178.5174.4178.8-1.8108
458L30Very low28Very low157 Ų157149.5 Ų149.582%0.82281%0.809SS**  trans-116.3110158-90.2159.7000107S456S456-L458 PolarHBondContact O-N 3.49Å
459G26.6Very low28.2Very low71 Ų71150.3 Ų150.373%0.73281%0.813SS**  trans-75.3139.7166.900000109.5
460Y27Very low28.1Very low227 Ų227150.8 Ų150.889%0.8982%0.816SS**  trans-117.9115157.3-108.6-88.5000108
461Q27.7Very low28.3Very low185 Ų185151.6 Ų151.686%0.86482%0.819SS**  trans-67.1140.9168.1-91.9172.1-38.300110.2
462S27.3Very low28.5Very low102 Ų102147.1 Ų147.171%0.71382%0.821SS**  trans-48.5141.7158.149.50000113.2
463N26.2Very low28.6Very low175 Ų175145.2 Ų145.294%0.93682%0.82SS**  trans-137.3134144.4-115.5-5.2000110.8
464V28.8Very low28.8Very low128 Ų128145.5 Ų145.578%0.77683%0.825SS**  trans-101.4138.2-177.3168.50000108.4
465Q28.4Very low28.8Very low198 Ų198142.8 Ų142.893%0.92582%0.815SS**  trans-174.7124151.4-101.8170.64.500105.4
466G26.2Very low28.9Very low70 Ų70148 Ų14872%0.72282%0.818SS**  cis115.891.313.200000110.5
467S27.8Very low28.9Very low112 Ų112147.6 Ų147.678%0.78382%0.815SS**  trans162.1140.9156.654.80000110.8
468T30Very low28.9Very low118 Ų118141.1 Ų141.172%0.72481%0.808SS**  cis-178.2140.9-21.512.50000106.5
469Q31.1Very low28.9Very low188 Ų188139.6 Ų139.688%0.87981%0.81SS**  trans65.9147.7151.1-71.2178.7-300119.3
470S29.3Very low29.1Very low115 Ų115141.2 Ų141.280%0.80481%0.81SS**  cis-155.2156.11539.80000113.4
471Q30.5Very low29.3Very low175 Ų175140 Ų14082%0.81881%0.813SS**  trans-45.6154.1174.4-66.2163.7-19.100118.3
472S31Very low29.5Very low131 Ų131140 Ų14092%0.91681%0.813SS**  -150.6141.3125.546.80000111.5
473T30Very low29.6Very low118 Ų118139.9 Ų139.972%0.72481%0.812SS**  trans-121.1141.9-162.8-38.80000108.3
474M32.3Very low29.7Very low196 Ų196137 Ų13797%0.96681%0.806SS**  trans-152.7125.8144.2-89.9-152.9-163.900110.6
475G28.1Very low29.7Very low57 Ų57139.1 Ų139.159%0.58881%0.807SS**  trans-74172165.700000111.6
476Y30.5Very low29.7Very low228 Ų228140.3 Ų140.389%0.89481%0.805SS**  -165.1136.476.7-105.5-83.4000113.3
477S28.3Very low29.8Very low99 Ų99142 Ų14269%0.69281%0.805SS**  trans59.1112.9138.546.50000124.4
478S29.8Very low29.9Very low113 Ų113144.8 Ų144.879%0.7981%0.805SS**  trans-27.4153.4141.556.80000120.8
479S29.6Very low29.8Very low126 Ų126147.4 Ų147.488%0.88181%0.81SS**  -137.3144128.964.70000110.9
480S31.7Very low29.7Very low104 Ų104144.5 Ų144.573%0.72781%0.805SS**  trans-117.4149-163.4480000111.1
481Q31.3Very low29.8Very low202 Ų202147.1 Ų147.194%0.94480%0.804SS**  trans-139.9125.4142.7-91.6-171.9300111.5
482Q31.1Very low29.7Very low186 Ų186149.9 Ų149.987%0.86981%0.807SS**  trans-56.2170.3168.5-79167.6-3400112.8
483S29.2Very low30.1Very low99 Ų99158.2 Ų158.269%0.69282%0.82SS**  cis-173.2154.30.235.80000104.9
484S29.8Very low30.1Very low115 Ų115160.2 Ų160.280%0.80483%0.825SS**  178.7141.676.2-53.80000109.5
485Q28.6Very low30Very low172 Ų172158.3 Ų158.380%0.80482%0.818SS**  trans-78153.9172-69.3171.8-34.700111.7
486Y28Very low30.1Very low223 Ų223163.9 Ų163.988%0.87583%0.83SS**  -175.5136.1112.7-105.5-75.9000113.7
487S27.1Very low30Very low105 Ų105160.2 Ų160.273%0.73483%0.827SS**  trans78.4111.5141.4-166.10000123.1
488H30.2Very low30.2Very low170 Ų170164 Ų16479%0.78784%0.835SS**  trans-16.4139.2148-75.3-80.7000119.1
489Q27.8Very low30.2Very low174 Ų174167.4 Ų167.481%0.81384%0.838SS**  -163.5120.8117.5-111.7174.56.100112
490T30.5Very low30.2Very low127 Ų127170.4 Ų170.478%0.77984%0.835SS**  trans-80.3125.1165.638.30000109.8
491H30.3Very low30.1Very low170 Ų170175.5 Ų175.579%0.78784%0.843SS**  trans-126.7120.6158.8-93.2-65.9000110.5
492R29.4Very low30Very low233 Ų233173.3 Ų173.388%0.87984%0.835SS**  trans-58.9134.5159.5-75.3175.4172.1162.4-2.9109.2
493Y38.2Very low29.9Very low305 Ų305172.1 Ų172.1100%1.19683%0.832SS**  -157.50117-101.7-73.6000109.4

Retrieved 493 of 493 residues in 240.4 ms (Link to these results)

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