A0A093HK90_STRCA Loading...

Scrapie-responsive protein 1

AlphaFold DB , UniProt , Accession A0A093HK90, Species STRCA (Struthio camelus australis), Gene n/a, Length 96 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
1M58.4Low70.4Confident214 Ų214110.2 Ų110.2100%1.05461%0.605SS**  0-31.90-57.8-173.391.200113.7T3M1-T3 PolarHBondContact O-N 3.46Å
2K62.8Low69.9Low191 Ų191113.5 Ų113.583%0.8362%0.616SS**Hα-helixtrans-64.8-36.8179.3-72.4177.7170.5176.10115S5 A6K2-S5 PolarHBondContact O-N 3.27Å; K2-A6 PolarHBondContact O-N 3.37Å; K2-A6 VanDerWaalsContact O-N 3.12Å
3T69.6Low69.4Low101 Ų101114.8 Ų114.862%0.6262%0.621SS**Hα-helixtrans-67.2-40.3-17848.30000112.8M1 S5 A6 L7M1-T3 PolarHBondContact O-N 3.46Å; T3-S5 VanDerWaalsContact C-N 3.32Å; T3-S5 PolarHBondContact O-N 3.42Å; T3-A6 PolarHBondContact O-N 3.5Å; T3-L7 WeakPolarHBondContact O-CD1 3.36Å; T3-L7 PolarHBondContact O-N 3Å
4V73.3Confident68.8Low87 Ų87116.9 Ų116.953%0.52763%0.631SS.*Hα-helixtrans-61.6-42.6176177.20000110.7A6 L7 L8V4-A6 PolarHBondContact O-N 3.28Å; V4-L7 PolarHBondContact O-N 3.12Å; V4-L8 HydrophobicContact CG1-CD1 3.87Å; V4-L8 WeakPolarHBondContact O-CD1 3.42Å; V4-L8 PolarHBondContact O-N 3.13Å
5S73.8Confident67.8Low70 Ų70112.3 Ų112.349%0.4962%0.622SS.*Hα-helixtrans-65.1-39.4177.9-167.40000112.1K2 T3 L8 L9K2-S5 PolarHBondContact O-N 3.27Å; T3-S5 VanDerWaalsContact C-N 3.32Å; T3-S5 PolarHBondContact O-N 3.42Å; S5-L8 PolarHBondContact O-N 3.05Å; S5-L9 WeakPolarHBondContact O-CD1 3.43Å; S5-L9 PolarHBondContact O-N 3.46Å; S5-L9 VanDerWaalsContact O-N 3.13Å
6A74.6Confident67Low47 Ų47112.5 Ų112.539%0.38863%0.627SS.*Hα-helixtrans-64.5-41.617500000112.3K2 T3 V4 L8 L9 L10K2-A6 PolarHBondContact O-N 3.37Å; K2-A6 VanDerWaalsContact O-N 3.12Å; T3-A6 PolarHBondContact O-N 3.5Å; V4-A6 PolarHBondContact O-N 3.28Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-L8 PolarHBondContact O-N 3.32Å; A6-L9 PolarHBondContact O-N 2.98Å; A6-L10 WeakPolarHBondContact O-CD1 3.41Å; A6-L10 PolarHBondContact O-N 3.49Å
7L77.1Confident66.2Low117 Ų117115.4 Ų115.461%0.61363%0.634SS**Hα-helixtrans-63.3-38.1176.8-80150.5000112.5T3 V4 L10 S11T3-L7 WeakPolarHBondContact O-CD1 3.36Å; T3-L7 PolarHBondContact O-N 3Å; V4-L7 PolarHBondContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 3.35Å; L7-S11 PolarHBondContact O-N 3.2Å; L7-S11 VanDerWaalsContact O-N 3.08Å; L7-S11 PolarHBondContact O-OG 3.45Å
8L76.4Confident65.5Low100 Ų100116.2 Ų116.252%0.52464%0.644SS.*Hα-helixtrans-67.3-35.3174.7-97131000113.2V4 S5 A6 S11 M12V4-L8 HydrophobicContact CG1-CD1 3.87Å; V4-L8 WeakPolarHBondContact O-CD1 3.42Å; V4-L8 PolarHBondContact O-N 3.13Å; S5-L8 PolarHBondContact O-N 3.05Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-L8 PolarHBondContact O-N 3.32Å; L8-S11 WeakPolarHBondContact CA-OG 3.43Å; L8-S11 PolarHBondContact O-OG 3.02Å; L8-M12 WeakPolarHBondContact O-CG 3.49Å; L8-M12 PolarHBondContact O-N 3.48Å
9L71.1Confident64.6Low114 Ų114116.5 Ų116.560%0.59765%0.649SS**Hα-helixtrans-69.1-41.6174.5-80.7151.1000111.3S5 A6 M12 L13S5-L9 WeakPolarHBondContact O-CD1 3.43Å; S5-L9 PolarHBondContact O-N 3.46Å; S5-L9 VanDerWaalsContact O-N 3.13Å; A6-L9 PolarHBondContact O-N 2.98Å; L9-M12 PolarHBondContact O-N 3.43Å; L9-L13 PolarHBondContact O-N 3.42Å
10L69.6Low63.7Low103 Ų103115.9 Ų115.954%0.53965%0.65SS.*Hα-helixtrans-63.8-40.2177.5-84.5150.3000112.6A6 L7 M12 L13 L14A6-L10 WeakPolarHBondContact O-CD1 3.41Å; A6-L10 PolarHBondContact O-N 3.49Å; L7-L10 PolarHBondContact O-N 3.35Å; L10-M12 VanDerWaalsContact C-N 3.3Å; L10-M12 PolarHBondContact O-N 3.2Å; L10-L13 WeakPolarHBondContact O-CB 3.45Å; L10-L13 PolarHBondContact O-N 3.08Å; L10-L14 WeakPolarHBondContact O-CD1 3.47Å; L10-L14 PolarHBondContact O-N 3.36Å
11S68.1Low63.2Low68 Ų68113.4 Ų113.448%0.47664%0.64SS.*Hα-helixtrans-68-27.8178.152.10000113.4L7 L8 L14L7-S11 PolarHBondContact O-N 3.2Å; L7-S11 VanDerWaalsContact O-N 3.08Å; L7-S11 PolarHBondContact O-OG 3.45Å; L8-S11 WeakPolarHBondContact CA-OG 3.43Å; L8-S11 PolarHBondContact O-OG 3.02Å; S11-L14 PolarHBondContact O-N 3.36Å
12M64Low63Low150 Ų150108.1 Ų108.174%0.73962%0.622SS**Hα-helixtrans-69.4-32.8172.1-65.8-135.8-15000112.7L8 L9 L10 L14 G15L8-M12 WeakPolarHBondContact O-CG 3.49Å; L8-M12 PolarHBondContact O-N 3.48Å; L9-M12 PolarHBondContact O-N 3.43Å; L10-M12 VanDerWaalsContact C-N 3.3Å; L10-M12 PolarHBondContact O-N 3.2Å; M12-L14 VanDerWaalsContact C-N 3.33Å; M12-G15 PolarHBondContact O-N 3.49Å
13L63Low62.8Low130 Ų130107.9 Ų107.968%0.68162%0.616SS**Hα-helixtrans-70.3-28.7177.2-79143.9000112.9L9 L10 G15L9-L13 PolarHBondContact O-N 3.42Å; L10-L13 WeakPolarHBondContact O-CB 3.45Å; L10-L13 PolarHBondContact O-N 3.08Å; L13-G15 VanDerWaalsContact C-N 3.25Å; L13-G15 PolarHBondContact O-N 3.44Å
14L62.2Low62.7Low145 Ų145107.8 Ų107.876%0.75961%0.611SS**THydrogen-bonded Turntrans-77.4-9.5177.4-77.9143.7000113.3L10 S11 M12L10-L14 WeakPolarHBondContact O-CD1 3.47Å; L10-L14 PolarHBondContact O-N 3.36Å; S11-L14 PolarHBondContact O-N 3.36Å; M12-L14 VanDerWaalsContact C-N 3.33Å
15G53.2Low63.1Low48 Ų48108.3 Ų108.350%0.49562%0.619SS.*THydrogen-bonded Turntrans-88.71.6-173.400000115.9M12 L13 H17M12-G15 PolarHBondContact O-N 3.49Å; L13-G15 VanDerWaalsContact C-N 3.25Å; L13-G15 PolarHBondContact O-N 3.44Å; G15-H17 PolarHBondContact O-N 2.89Å
16T55.6Low63.7Low115 Ų115107.8 Ų107.871%0.70661%0.614SS**  trans-78.374.6172.359.10000109.3T18T16-T18 PolarHBondContact O-N 3.02Å
17H51.9Low64.3Low162 Ų162110 Ų11075%0.7561%0.613SS**  trans-59.6110.1160-73.7-74.4000106.8G15 V19G15-H17 PolarHBondContact O-N 2.89Å; H17-V19 PolarHBondContact O-N 3.15Å
18T55.1Low64.8Low130 Ų130111 Ų11180%0.79861%0.613SS**  trans-64.189.4166.2540000106.3T16 P20T16-T18 PolarHBondContact O-N 3.02Å; T18-P20 WeakPolarHBondContact O-CD 3.33Å; T18-P20 VanDerWaalsContact O-N 3.09Å
19V47.8Very low65.2Low122 Ų122111.1 Ų111.174%0.73961%0.606SS**PPolyproline II helixtrans-53.3119.9169.2179.40000104.9H17 S21H17-V19 PolarHBondContact O-N 3.15Å; V19-S21 PolarHBondContact O-N 3.09Å
20P47.4Very low65.9Low103 Ų103109 Ų10967%0.66961%0.605SS**PPolyproline II helixtrans-54.6119.7175.5-20.230.6000106.4T18 P22T18-P20 WeakPolarHBondContact O-CD 3.33Å; T18-P20 VanDerWaalsContact O-N 3.09Å; P20-P22 VanDerWaalsContact O-N 3.14Å
21S52.6Low66.4Low64 Ų64104.3 Ų104.345%0.44858%0.58SS.*PPolyproline II helixtrans-48.1128.2169.4177.60000106.1V19 R23V19-S21 PolarHBondContact O-N 3.09Å; S21-R23 PolarHBondContact O-N 3.29Å
22P54.8Low66.7Low104 Ų104111.3 Ų111.368%0.67560%0.596SS**  trans-49.9112.8-178.518.8-29.9000106.2P20 L24P20-P22 VanDerWaalsContact O-N 3.14Å; P22-L24 PolarHBondContact O-N 2.79Å
23R56.7Low67.1Low185 Ų185111.1 Ų111.170%0.69860%0.598SS**  trans-6490.8-174.6-70.5-172.6-172.9-109.31.3106.5S21 S25 D80S21-R23 PolarHBondContact O-N 3.29Å; R23-S25 PolarHBondContact O-N 3.24Å; R23-S25 VanDerWaalsContact O-N 3.14Å; R23-D80 IonicContact CZ-OD2 3.81Å; R23-D80 IonicContact NH1-OD2 2.82Å; R23-D80 PolarHBondContact NH1-OD2 3.32Å
24L68.8Low67.6Low100 Ų100108.3 Ų108.352%0.52458%0.582SS.*PPolyproline II helixtrans-57.6122176.4-76.4161.6000105.5P22 I65 P78P22-L24 PolarHBondContact O-N 2.79Å; L24-I65 HydrophobicContact CB-CD1 4.28Å; L24-I65 HydrophobicContact CD1-CD1 4.1Å; L24-P78 HydrophobicContact CB-CG 4.38Å; L24-P78 WeakPolarHBondContact O-CD 3.4Å; L24-P78 WeakPolarHBondContact O-CG 3.33Å
25S81.4Confident68.1Low98 Ų98105 Ų10569%0.68557%0.565SS**PPolyproline II helixtrans-62.4156.6174.852.50000109.9R23 Y27R23-S25 PolarHBondContact O-N 3.24Å; R23-S25 VanDerWaalsContact O-N 3.14Å; S25-Y27 PolarHBondContact O-N 2.66Å
26C87.6Confident69Low59 Ų59103 Ų10340%0.39954%0.543SS..PPolyproline II helixtrans-56.4142.4170-66.90000110.9L75 C76 C77C26-L75 HydrophobicContact CB-CD1 4.39Å; C26-C76 CarbonylContact C-O 3.54Å; C26-C76 WeakPolarHBondContact CA-O 3.43Å; C26-C77 HydrophobicContact CB-CB 4.13Å; C26-C77 WeakPolarHBondContact CB-SG 3.03Å; C26-C77 WeakPolarHBondContact SG-CB 3.49Å; C26-C77 CovalentContact SG-SG 2.03Å; C26-C77 PolarHBondContact SG-SG 3.03Å
27Y86Confident69.8Low94 Ų94104.6 Ų104.637%0.36954%0.542SS..EExtended strand (participates in β ladder)trans-137.9153.8175.566.2-88.6000111.1S25 C76S25-Y27 PolarHBondContact O-N 2.66Å; Y27-C76 HydrophobicContact CD1-CB 4.07Å; Y27-C76 HydrophobicContact CD2-CB 4.19Å; Y27-C76 HydrophobicContact CE1-CB 3.55Å; Y27-C76 HydrophobicContact CE2-CB 3.68Å; Y27-C76 HydrophobicContact CG-CB 4.37Å; Y27-C76 PolarHBondContact N-O 2.96Å; Y27-C76 PolarHBondContact O-N 3.16Å
28K87.8Confident70.6Confident138 Ų138100.4 Ų100.460%0.653%0.531SS*.EExtended strand (participates in β ladder)trans-104.3146.7175.1-70.8-178.5168-137.20110.7E73 L74 L75K28-E73 WeakPolarHBondContact CD-OE1 2.8Å; K28-E73 WeakPolarHBondContact CE-OE1 2.95Å; K28-E73 IonicContact NZ-OE1 2.77Å; K28-E73 PolarHBondContact NZ-OE1 2.65Å; K28-L74 CarbonylContact C-O 3.58Å; K28-L74 VanDerWaalsContact CA-O 3.26Å; K28-L74 WeakPolarHBondContact CA-O 3.45Å; K28-L75 HydrophobicContact CG-CD1 4.07Å
29R84.8Confident71.4Confident101 Ų10194.7 Ų94.738%0.38150%0.496SS..EExtended strand (participates in β ladder)trans-144.3127.8175.9-175.2177.6-171.7161.72.7111L74R29-L74 HydrophobicContact CB-CB 4.39Å; R29-L74 PolarHBondContact N-O 2.77Å; R29-L74 PolarHBondContact O-N 3.24Å
30A84.9Confident72.3Confident69 Ų6991.3 Ų91.357%0.5748%0.476SS*.EExtended strand (participates in β ladder)trans-77.8138.817100000111.2T72A30-T72 CarbonylContact C-O 3.58Å; A30-T72 WeakPolarHBondContact CA-O 3.01Å
31L80.9Confident72.9Confident5 Ų595.8 Ų95.83%0.02649%0.488CS..  trans-89.20.3177.4-70.6176.9000113.6D33 H34 I39 L43 C69 T72 L74L31-D33 PolarHBondContact O-N 3.24Å; L31-H34 HydrophobicContact CB-CB 4.29Å; L31-H34 WeakPolarHBondContact CB-O 3.18Å; L31-H34 PolarHBondContact O-N 2Å; L31-I39 HydrophobicContact CD1-CD1 3.95Å; L31-I39 HydrophobicContact CD1-CG1 4.05Å; L31-I39 HydrophobicContact CD2-CD1 4.29Å; L31-I39 HydrophobicContact CD2-CG1 4.4Å; L31-I39 HydrophobicContact CD2-CG2 4.33Å; L31-L43 HydrophobicContact CD2-CD2 3.49Å; L31-L43 VanDerWaalsContact CD2-CD2 3.49Å; L31-C69 VanDerWaalsContact CD1-SG 3.57Å; L31-T72 WeakPolarHBondContact CB-O 2.95Å; L31-T72 PolarHBondContact N-O 3.18Å; L31-L74 HydrophobicContact CD1-CD2 4.43Å; L31-L74 HydrophobicContact CD1-CG 4.07Å; L31-L74 HydrophobicContact CD2-CD1 3.64Å; L31-L74 HydrophobicContact CD2-CG 4.05Å; L31-L74 HydrophobicContact CG-CD1 4.21Å; L31-L74 HydrophobicContact CG-CG 4.05Å
32R75.1Confident73.2Confident215 Ų21595.3 Ų95.381%0.81149%0.494SS*.THydrogen-bonded Turntrans47.2-90.7-178.8-73.5-167.7174.3-152.3-0.2113.5
33D71.9Confident73.6Confident147 Ų14792.7 Ų92.779%0.78647%0.474SS*.THydrogen-bonded Turntrans-95.91.3-171.1-52.7-51.3000112.8L31L31-D33 PolarHBondContact O-N 3.24Å
34H72.4Confident73.8Confident71 Ų7185.6 Ų85.633%0.32945%0.454SS..  trans-116.6153.8-178.2-54.1-68.2000111.8L31 P40L31-H34 HydrophobicContact CB-CB 4.29Å; L31-H34 WeakPolarHBondContact CB-O 3.18Å; L31-H34 PolarHBondContact O-N 2Å; H34-P40 VanDerWaalsContact CE1-CG 3.44Å; H34-P40 WeakPolarHBondContact CE1-CG 3.2Å
35N72.8Confident74.1Confident76 Ų7684.4 Ų84.441%0.40645%0.449SS..  trans-118.8170173.867.238.6000110.1H37 S38 F71N35-H37 PolarHBondContact O-N 3.36Å; N35-H37 WeakPolarHBondContact OD1-CB 3.43Å; N35-H37 PolarHBondContact OD1-N 2.83Å; N35-S38 CarbonylContact O-C 3.51Å; N35-S38 PolarHBondContact O-N 3.06Å; N35-S38 VanDerWaalsContact O-N 3.16Å; N35-F71 WeakPolarHBondContact CA-O 3.03Å
36C72.5Confident74Confident6 Ų680.2 Ų80.24%0.04142%0.418CS..THydrogen-bonded Turntrans-60.5-11.1-176-53.60000115.7C69 F71C36-C69 WeakPolarHBondContact CA-SG 3.25Å; C36-C69 HydrophobicContact CB-CB 3.65Å; C36-C69 WeakPolarHBondContact CB-SG 3.29Å; C36-C69 WeakPolarHBondContact SG-CB 3.07Å; C36-C69 PolarHBondContact SG-O 3Å; C36-C69 VanDerWaalsContact SG-O 3.41Å; C36-C69 CovalentContact SG-SG 2.02Å; C36-C69 PolarHBondContact SG-SG 2.04Å; C36-F71 PolarHBondContact N-O 3.48Å; C36-F71 PolarHBondContact SG-N 2.98Å; C36-F71 VanDerWaalsContact SG-N 3.44Å; C36-F71 PolarHBondContact SG-O 2.75Å
37H72.5Confident73.7Confident147 Ų14782.9 Ų82.968%0.68142%0.42SS*.THydrogen-bonded Turntrans-82.5-19.7-179.8-63.161.7000112.4N35N35-H37 PolarHBondContact O-N 3.36Å; N35-H37 WeakPolarHBondContact OD1-CB 3.43Å; N35-H37 PolarHBondContact OD1-N 2.83Å
38S69Low73.4Confident75 Ų7582.2 Ų82.252%0.52442%0.42SS..  trans-155.486.3178.252.60000110.8N35 P40N35-S38 CarbonylContact O-C 3.51Å; N35-S38 PolarHBondContact O-N 3.06Å; N35-S38 VanDerWaalsContact O-N 3.16Å; S38-P40 WeakPolarHBondContact O-CD 3.05Å
39I71.3Confident72.8Confident10 Ų1075.7 Ų75.75%0.05139%0.392CS..PPolyproline II helixtrans-78.4121.3165.7-56.1-176.6000106.8L31 E41 L43 W58 L74L31-I39 HydrophobicContact CD1-CD1 3.95Å; L31-I39 HydrophobicContact CD1-CG1 4.05Å; L31-I39 HydrophobicContact CD2-CD1 4.29Å; L31-I39 HydrophobicContact CD2-CG1 4.4Å; L31-I39 HydrophobicContact CD2-CG2 4.33Å; I39-E41 PolarHBondContact O-N 3.11Å; I39-L43 HydrophobicContact CG2-CB 3.94Å; I39-L43 HydrophobicContact CG2-CD2 3.92Å; I39-W58 HydrophobicContact CB-CD2 4.47Å; I39-W58 HydrophobicContact CB-CE3 4.2Å; I39-W58 HydrophobicContact CB-CH2 3.68Å; I39-W58 HydrophobicContact CB-CZ2 3.95Å; I39-W58 HydrophobicContact CB-CZ3 3.81Å; I39-W58 HydrophobicContact CD1-CD2 3.62Å; I39-W58 VanDerWaalsContact CD1-CE2 3.45Å; I39-W58 HydrophobicContact CD1-CE3 4.13Å; I39-W58 HydrophobicContact CD1-CG 3.96Å; I39-W58 HydrophobicContact CD1-CH2 4.39Å; I39-W58 HydrophobicContact CD1-CZ2 3.89Å; I39-W58 HydrophobicContact CD1-CZ3 4.49Å; I39-W58 HydrophobicContact CG1-CD2 4.24Å; I39-W58 HydrophobicContact CG1-CE3 4.47Å; I39-W58 HydrophobicContact CG1-CH2 3.94Å; I39-W58 HydrophobicContact CG1-CZ2 3.64Å; I39-W58 HydrophobicContact CG1-CZ3 4.33Å; I39-L74 HydrophobicContact CD1-CD1 4.18Å; I39-L74 HydrophobicContact CD1-CD2 3.78Å; I39-L74 HydrophobicContact CD1-CG 4.38Å
40P67.4Low71.9Confident50 Ų5075.5 Ų75.533%0.32540%0.398SS..PPolyproline II helixtrans-56.7134.7-178.2-22.330.4000111.3H34 S38 G42 L43H34-P40 VanDerWaalsContact CE1-CG 3.44Å; H34-P40 WeakPolarHBondContact CE1-CG 3.2Å; S38-P40 WeakPolarHBondContact O-CD 3.05Å; P40-G42 PolarHBondContact O-N 3.1Å; P40-L43 WeakPolarHBondContact O-CB 2.97Å; P40-L43 PolarHBondContact O-N 3.05Å
41E60.3Low70.8Confident197 Ų19780.8 Ų80.892%0.92141%0.412SS*.THydrogen-bonded Turntrans-52.7125.5171.4-70-171.6168.500109.5I39I39-E41 PolarHBondContact O-N 3.11Å
42G57.7Low69.9Low55 Ų5585 Ų8557%0.56744%0.441SS*.THydrogen-bonded Turntrans100.4-15.4-177.100000115.1P40 A44P40-G42 PolarHBondContact O-N 3.1Å; G42-A44 PolarHBondContact O-N 3.16Å
43L63.3Low69.3Low49 Ų4976.5 Ų76.526%0.25741%0.412SS..SBendtrans-70100165.9-15780000108.2L31 I39 P40 N45 L46L31-L43 HydrophobicContact CD2-CD2 3.49Å; L31-L43 VanDerWaalsContact CD2-CD2 3.49Å; I39-L43 HydrophobicContact CG2-CB 3.94Å; I39-L43 HydrophobicContact CG2-CD2 3.92Å; P40-L43 WeakPolarHBondContact O-CB 2.97Å; P40-L43 PolarHBondContact O-N 3.05Å; L43-N45 VanDerWaalsContact C-N 3.28Å; L43-N45 PolarHBondContact O-N 2.81Å; L43-L46 PolarHBondContact O-N 2.87Å
44A62.3Low69Low35 Ų3576.5 Ų76.529%0.28941%0.407SS..THydrogen-bonded Turntrans65.412.7-177.700000117.2G42 L46G42-A44 PolarHBondContact O-N 3.16Å; A44-L46 HydrophobicContact CB-CD1 3.95Å; A44-L46 HydrophobicContact CB-CG 3.82Å; A44-L46 PolarHBondContact O-N 3.01Å
45N73.9Confident68.8Low75 Ų7577.2 Ų77.240%0.40141%0.413SS..THydrogen-bonded Turntrans53.838.7-172.4-51.2-71.4000112L43 R61L43-N45 VanDerWaalsContact C-N 3.28Å; L43-N45 PolarHBondContact O-N 2.81Å; N45-R61 HydrophobicContact CB-CG 4.27Å; N45-R61 PolarHBondContact ND2-NH2 2.82Å; N45-R61 VanDerWaalsContact ND2-NH2 3.16Å
46L79.8Confident69.2Low10 Ų1076.5 Ų76.55%0.05241%0.407CS..  trans-85140.4176.3-65.2172.7000109.8L43 A44 W58 E59 C67 L74L43-L46 PolarHBondContact O-N 2.87Å; A44-L46 HydrophobicContact CB-CD1 3.95Å; A44-L46 HydrophobicContact CB-CG 3.82Å; A44-L46 PolarHBondContact O-N 3.01Å; L46-W58 HydrophobicContact CB-CB 4.28Å; L46-W58 HydrophobicContact CB-CE3 4.13Å; L46-E59 CarbonylContact C-O 3.49Å; L46-E59 VanDerWaalsContact CA-O 3.25Å; L46-E59 WeakPolarHBondContact CA-O 3.17Å; L46-C67 HydrophobicContact CD2-CB 4.47Å; L46-C67 VanDerWaalsContact CD2-SG 3.53Å; L46-L74 HydrophobicContact CD1-CD1 3.6Å
47R81.1Confident69.7Low116 Ų11678 Ų7844%0.43841%0.413SS..EExtended strand (participates in β ladder)trans-126149.9173.8-66.1178.2173.5179.7-5.1108.5I49 W58 E59R47-I49 PolarHBondContact O-N 3.1Å; R47-W58 VanDerWaalsContact C-CE3 3.5Å; R47-W58 CarbonylContact O-C 3.58Å; R47-W58 WeakPolarHBondContact O-CA 3.12Å; R47-E59 HydrophobicContact CB-CG 4Å; R47-E59 PolarHBondContact N-O 2.99Å; R47-E59 PolarHBondContact O-N 3.47Å
48Q79.2Confident70.2Confident79 Ų7971.8 Ų71.837%0.36938%0.384SS..EExtended strand (participates in β ladder)trans-69.1133.7175.5-165.1173.4-12.800109.2D55 W58Q48-D55 PolarHBondContact NE2-OD1 2.74Å; Q48-W58 HydrophobicContact CB-CE3 4.4Å; Q48-W58 HydrophobicContact CB-CH2 4.49Å; Q48-W58 HydrophobicContact CB-CZ3 4.32Å
49I75.9Confident70.9Confident2 Ų268.4 Ų68.41%0.0136%0.36CS..  trans-72.1137.9172.1-55.5-176.7000107.1R47 L53 F57 E59 I66 I91 P92R47-I49 PolarHBondContact O-N 3.1Å; I49-L53 HydrophobicContact CB-CD1 4.42Å; I49-L53 HydrophobicContact CG2-CD1 3.7Å; I49-F57 HydrophobicContact CB-CB 4.37Å; I49-F57 HydrophobicContact CD1-CB 4.08Å; I49-F57 HydrophobicContact CG1-CB 4.38Å; I49-F57 PolarHBondContact N-O 3.47Å; I49-F57 VanDerWaalsContact N-O 3.1Å; I49-E59 HydrophobicContact CD1-CB 4.13Å; I49-E59 HydrophobicContact CG1-CB 3.78Å; I49-E59 HydrophobicContact CG1-CG 4.08Å; I49-I66 HydrophobicContact CD1-CD1 3.76Å; I49-I66 HydrophobicContact CD1-CG2 4.05Å; I49-I91 HydrophobicContact CG2-CG2 4.33Å; I49-P92 WeakPolarHBondContact CG2-O 3.44Å
50D66.5Low71.3Confident96 Ų9668.4 Ų68.451%0.51336%0.362SS..  trans-33.5146.7-176-1660.6000114.7S52 L53D50-S52 PolarHBondContact O-N 2.85Å; D50-L53 PolarHBondContact O-N 2.73Å
51Q60.8Low71.7Confident181 Ų18175.1 Ų75.185%0.84638%0.381SS*.THydrogen-bonded Turntrans-52.8-12-168.4-62.6177.9-6.400115.8L53Q51-L53 PolarHBondContact O-N 2.86Å
52S62.3Low72.4Confident93 Ų9369.1 Ų69.165%0.6537%0.372SS*.THydrogen-bonded Turntrans-66.2-25.3172.670.10000113.5D50D50-S52 PolarHBondContact O-N 2.85Å
53L63Low73.4Confident37 Ų3767.4 Ų67.419%0.19435%0.351CS..SBendtrans-103.1133.5173.3-77.3162000108.3I49 D50 Q51 F57 I91I49-L53 HydrophobicContact CB-CD1 4.42Å; I49-L53 HydrophobicContact CG2-CD1 3.7Å; D50-L53 PolarHBondContact O-N 2.73Å; Q51-L53 PolarHBondContact O-N 2.86Å; L53-F57 HydrophobicContact CB-CB 4.43Å; L53-F57 HydrophobicContact CB-CD2 4.01Å; L53-F57 HydrophobicContact CD2-CD2 4.1Å; L53-F57 HydrophobicContact CD2-CE2 4.19Å; L53-I91 HydrophobicContact CD1-CD1 4.49Å; L53-I91 HydrophobicContact CD1-CG2 3.62Å
54Q65.3Low74.3Confident146 Ų14670.6 Ų70.668%0.68237%0.365SS*.  trans-54.1157.4179.4-61.9-178.47.100111.3H56 F57Q54-H56 PolarHBondContact O-N 2.94Å; Q54-F57 PolarHBondContact O-N 2.81Å
55D68.4Low75.3Confident87 Ų8770 Ų7047%0.46536%0.356SS..THydrogen-bonded Turntrans-57.812.1-173.7-54.5-38.1000116.4Q48Q48-D55 PolarHBondContact NE2-OD1 2.74Å
56H80.4Confident75.9Confident60 Ų6066.4 Ų66.428%0.27834%0.337SS..THydrogen-bonded Turntrans-92.6-16.6177.5-62.4-73.9000113.6Q54 Y68 C69Q54-H56 PolarHBondContact O-N 2.94Å; H56-Y68 HydrophobicContact CB-CD2 3.88Å; H56-Y68 HydrophobicContact CB-CE2 3.63Å; H56-Y68 CarbonylContact O-C 3.55Å; H56-Y68 WeakPolarHBondContact O-CA 3.18Å; H56-C69 PolarHBondContact ND1-O 2.88Å; H56-C69 VanDerWaalsContact ND1-O 3.1Å; H56-C69 PolarHBondContact O-N 2.66Å
57F83.3Confident76.2Confident38 Ų3865.9 Ų65.917%0.16734%0.335CS..EExtended strand (participates in β ladder)trans-105.2131.3-173.4-63.9-81000113.2I49 L53 Q54 C67 Y68 F82 F83I49-F57 HydrophobicContact CB-CB 4.37Å; I49-F57 HydrophobicContact CD1-CB 4.08Å; I49-F57 HydrophobicContact CG1-CB 4.38Å; I49-F57 PolarHBondContact N-O 3.47Å; I49-F57 VanDerWaalsContact N-O 3.1Å; L53-F57 HydrophobicContact CB-CB 4.43Å; L53-F57 HydrophobicContact CB-CD2 4.01Å; L53-F57 HydrophobicContact CD2-CD2 4.1Å; L53-F57 HydrophobicContact CD2-CE2 4.19Å; Q54-F57 PolarHBondContact O-N 2.81Å; F57-C67 WeakPolarHBondContact CA-O 3.45Å; F57-Y68 HydrophobicContact CD1-CD2 4.23Å; F57-Y68 AromaticContact CE1-CD2 3.7Å; F57-Y68 HydrophobicContact CE1-CD2 3.7Å; F57-Y68 HydrophobicContact CE1-CG 4.43Å; F57-Y68 HydrophobicContact CE2-CD2 4.43Å; F57-Y68 AromaticContact CZ-CD2 3.82Å; F57-Y68 HydrophobicContact CZ-CD2 3.82Å; F57-Y68 HydrophobicContact CZ-CE2 4.28Å; F57-F82 HydrophobicContact CD1-CE1 4.32Å; F57-F82 AromaticContact CE1-CE1 3.78Å; F57-F82 HydrophobicContact CE1-CE1 3.78Å; F57-F82 HydrophobicContact CE1-CZ 4.07Å; F57-F83 HydrophobicContact CD1-CZ 4.36Å; F57-F83 HydrophobicContact CE1-CE1 4.36Å
58W83.4Confident76.5Confident16 Ų1664.2 Ų64.26%0.06133%0.329CS..EExtended strand (participates in β ladder)trans-130.2137.6-177.8-62.374.9000110.4I39 L46 R47 Q48 I66 C67I39-W58 HydrophobicContact CB-CD2 4.47Å; I39-W58 HydrophobicContact CB-CE3 4.2Å; I39-W58 HydrophobicContact CB-CH2 3.68Å; I39-W58 HydrophobicContact CB-CZ2 3.95Å; I39-W58 HydrophobicContact CB-CZ3 3.81Å; I39-W58 HydrophobicContact CD1-CD2 3.62Å; I39-W58 VanDerWaalsContact CD1-CE2 3.45Å; I39-W58 HydrophobicContact CD1-CE3 4.13Å; I39-W58 HydrophobicContact CD1-CG 3.96Å; I39-W58 HydrophobicContact CD1-CH2 4.39Å; I39-W58 HydrophobicContact CD1-CZ2 3.89Å; I39-W58 HydrophobicContact CD1-CZ3 4.49Å; I39-W58 HydrophobicContact CG1-CD2 4.24Å; I39-W58 HydrophobicContact CG1-CE3 4.47Å; I39-W58 HydrophobicContact CG1-CH2 3.94Å; I39-W58 HydrophobicContact CG1-CZ2 3.64Å; I39-W58 HydrophobicContact CG1-CZ3 4.33Å; L46-W58 HydrophobicContact CB-CB 4.28Å; L46-W58 HydrophobicContact CB-CE3 4.13Å; R47-W58 VanDerWaalsContact C-CE3 3.5Å; R47-W58 CarbonylContact O-C 3.58Å; R47-W58 WeakPolarHBondContact O-CA 3.12Å; Q48-W58 HydrophobicContact CB-CE3 4.4Å; Q48-W58 HydrophobicContact CB-CH2 4.49Å; Q48-W58 HydrophobicContact CB-CZ3 4.32Å; W58-I66 CarbonylContact O-C 3.58Å; W58-I66 WeakPolarHBondContact O-CA 3.25Å; W58-C67 HydrophobicContact CB-CB 4.26Å; W58-C67 PolarHBondContact N-O 3.47Å; W58-C67 PolarHBondContact O-N 3Å
59E84.2Confident76.7Confident5 Ų560.5 Ų60.52%0.02331%0.312CS..EExtended strand (participates in β ladder)trans-101.3139.2173.359.2179-164.100111.2L46 R47 I49 I66 C93 S94L46-E59 CarbonylContact C-O 3.49Å; L46-E59 VanDerWaalsContact CA-O 3.25Å; L46-E59 WeakPolarHBondContact CA-O 3.17Å; R47-E59 HydrophobicContact CB-CG 4Å; R47-E59 PolarHBondContact N-O 2.99Å; R47-E59 PolarHBondContact O-N 3.47Å; I49-E59 HydrophobicContact CD1-CB 4.13Å; I49-E59 HydrophobicContact CG1-CB 3.78Å; I49-E59 HydrophobicContact CG1-CG 4.08Å; E59-I66 HydrophobicContact CB-CD1 4.31Å; E59-C93 WeakPolarHBondContact OE2-CA 3.45Å; E59-C93 WeakPolarHBondContact OE2-CB 3.49Å; E59-C93 PolarHBondContact OE2-SG 3.23Å; E59-S94 WeakPolarHBondContact OE1-CB 3.43Å; E59-S94 PolarHBondContact OE1-N 2.78Å; E59-S94 PolarHBondContact OE1-OG 2.84Å; E59-S94 PolarHBondContact OE2-N 2.85Å
60G79.7Confident77.2Confident10 Ų1064 Ų6410%0.10333%0.33CS..  trans-83.2-180166.400000112.4G62 C63 I65G60-G62 PolarHBondContact O-N 3.18Å; G60-C63 PolarHBondContact O-N 3.43Å; G60-I65 PolarHBondContact N-O 3.27Å
61R75.3Confident78Confident190 Ų19067 Ų6772%0.71734%0.339SS*.G310 helixtrans-50.4130175.6-105-169.6-67.3-151.10.7111.6N45 C63N45-R61 HydrophobicContact CB-CG 4.27Å; N45-R61 PolarHBondContact ND2-NH2 2.82Å; N45-R61 VanDerWaalsContact ND2-NH2 3.16Å; R61-C63 PolarHBondContact O-N 3.16Å
62G75.5Confident79.2Confident71 Ų7162 Ų6273%0.73232%0.321SS*.G310 helixtrans68.610.4178.100000114.8G60 E64G60-G62 PolarHBondContact O-N 3.18Å; G62-E64 PolarHBondContact O-N 3.35Å
63C78.4Confident80.3Confident19 Ų1961 Ų6113%0.12831%0.306CS..G310 helixtrans5816.5-179.1164.70000114G60 R61 I65 K79 C93G60-C63 PolarHBondContact O-N 3.43Å; R61-C63 PolarHBondContact O-N 3.16Å; C63-I65 VanDerWaalsContact C-N 3.29Å; C63-I65 PolarHBondContact O-N 3.2Å; C63-K79 PolarHBondContact SG-NZ 3.36Å; C63-K79 VanDerWaalsContact SG-NZ 3.36Å; C63-C93 HydrophobicContact CB-CB 3.28Å; C63-C93 WeakPolarHBondContact CB-SG 3.41Å; C63-C93 WeakPolarHBondContact SG-CB 3.45Å; C63-C93 CovalentContact SG-SG 2Å; C63-C93 PolarHBondContact SG-SG 2.99Å
64E80.9Confident81.5Confident116 Ų11659.3 Ų59.354%0.54230%0.297SS..  trans-70.1-32.6175.9-60.8-171164.300111.2G62 P78 K79G62-E64 PolarHBondContact O-N 3.35Å; E64-P78 CarbonylContact O-C 3.38Å; E64-P78 VanDerWaalsContact O-CA 3.29Å; E64-P78 WeakPolarHBondContact O-CA 3.29Å; E64-K79 PolarHBondContact O-N 3.2Å
65I84.3Confident82.6Confident22 Ų2255.2 Ų55.211%0.11328%0.28CS..EExtended strand (participates in β ladder)trans-113.1133.8179.6-62.4-62.6000110L24 G60 C63 C76 C77 P78L24-I65 HydrophobicContact CB-CD1 4.28Å; L24-I65 HydrophobicContact CD1-CD1 4.1Å; G60-I65 PolarHBondContact N-O 3.27Å; C63-I65 VanDerWaalsContact C-N 3.29Å; C63-I65 PolarHBondContact O-N 3.2Å; I65-C76 HydrophobicContact CG2-CB 3.96Å; I65-C77 WeakPolarHBondContact CA-O 3.17Å; I65-P78 HydrophobicContact CD1-CG 4.41Å
66I86.4Confident83.5Confident0 Ų051.1 Ų51.10%026%0.258CS..EExtended strand (participates in β ladder)trans-116.6135171.2-54.2-56.9000108.4I49 W58 E59 C76 C77 K79 F82 F83I49-I66 HydrophobicContact CD1-CD1 3.76Å; I49-I66 HydrophobicContact CD1-CG2 4.05Å; W58-I66 CarbonylContact O-C 3.58Å; W58-I66 WeakPolarHBondContact O-CA 3.25Å; E59-I66 HydrophobicContact CB-CD1 4.31Å; I66-C76 CarbonylContact O-C 3.23Å; I66-C76 VanDerWaalsContact O-CA 3.29Å; I66-C76 WeakPolarHBondContact O-CA 3.36Å; I66-C77 PolarHBondContact N-O 2.95Å; I66-C77 PolarHBondContact O-N 3.47Å; I66-K79 HydrophobicContact CD1-CB 4.44Å; I66-K79 HydrophobicContact CD1-CG 4.18Å; I66-K79 HydrophobicContact CG1-CB 3.83Å; I66-K79 HydrophobicContact CG1-CG 3.77Å; I66-F82 HydrophobicContact CB-CB 4.33Å; I66-F82 HydrophobicContact CB-CG 4.24Å; I66-F82 HydrophobicContact CG2-CD1 4.02Å; I66-F82 HydrophobicContact CG2-CE1 4.39Å; I66-F82 HydrophobicContact CG2-CG 4.18Å; I66-F83 HydrophobicContact CB-CE2 4.2Å; I66-F83 HydrophobicContact CD1-CE2 4.37Å; I66-F83 HydrophobicContact CG1-CD2 4.32Å; I66-F83 HydrophobicContact CG1-CE2 3.77Å; I66-F83 HydrophobicContact CG2-CE2 3.71Å; I66-F83 HydrophobicContact CG2-CZ 3.84Å
67C86.9Confident83.9Confident0 Ų048.5 Ų48.50%025%0.246CC..EExtended strand (participates in β ladder)trans-117.3133.1174.7-55.60000110.7L46 F57 W58 L74 L75 C76L46-C67 HydrophobicContact CD2-CB 4.47Å; L46-C67 VanDerWaalsContact CD2-SG 3.53Å; F57-C67 WeakPolarHBondContact CA-O 3.45Å; W58-C67 HydrophobicContact CB-CB 4.26Å; W58-C67 PolarHBondContact N-O 3.47Å; W58-C67 PolarHBondContact O-N 3Å; C67-L74 HydrophobicContact CB-CD2 3.99Å; C67-L75 CarbonylContact C-O 3.51Å; C67-L75 VanDerWaalsContact CA-O 3.25Å; C67-L75 WeakPolarHBondContact CA-O 3.08Å; C67-C76 HydrophobicContact CB-CB 4.1Å; C67-C76 WeakPolarHBondContact CB-SG 3.48Å; C67-C76 WeakPolarHBondContact SG-CB 3.48Å; C67-C76 CovalentContact SG-SG 2.04Å; C67-C76 PolarHBondContact SG-SG 3.35Å
68Y87.3Confident84Confident81 Ų8147.3 Ų47.332%0.31824%0.242SC..EExtended strand (participates in β ladder)trans-100.1127.3165172-101.5000109.6H56 F57 N70 L74 L75 F82H56-Y68 HydrophobicContact CB-CD2 3.88Å; H56-Y68 HydrophobicContact CB-CE2 3.63Å; H56-Y68 CarbonylContact O-C 3.55Å; H56-Y68 WeakPolarHBondContact O-CA 3.18Å; F57-Y68 HydrophobicContact CD1-CD2 4.23Å; F57-Y68 AromaticContact CE1-CD2 3.7Å; F57-Y68 HydrophobicContact CE1-CD2 3.7Å; F57-Y68 HydrophobicContact CE1-CG 4.43Å; F57-Y68 HydrophobicContact CE2-CD2 4.43Å; F57-Y68 AromaticContact CZ-CD2 3.82Å; F57-Y68 HydrophobicContact CZ-CD2 3.82Å; F57-Y68 HydrophobicContact CZ-CE2 4.28Å; Y68-N70 HydrophobicContact CD1-CB 4.35Å; Y68-N70 HydrophobicContact CE1-CB 3.76Å; Y68-L74 WeakPolarHBondContact O-CA 3.49Å; Y68-L75 PolarHBondContact N-O 2.77Å; Y68-L75 PolarHBondContact O-N 2.84Å; Y68-F82 HydrophobicContact CG-CZ 4.44Å
69C83.6Confident84Confident0 Ų048.4 Ų48.40%025%0.247CC..EExtended strand (participates in β ladder)trans-98.5122.1178.5-169.50000110.7L31 C36 H56 E73 L74L31-C69 VanDerWaalsContact CD1-SG 3.57Å; C36-C69 WeakPolarHBondContact CA-SG 3.25Å; C36-C69 HydrophobicContact CB-CB 3.65Å; C36-C69 WeakPolarHBondContact CB-SG 3.29Å; C36-C69 WeakPolarHBondContact SG-CB 3.07Å; C36-C69 PolarHBondContact SG-O 3Å; C36-C69 VanDerWaalsContact SG-O 3.41Å; C36-C69 CovalentContact SG-SG 2.02Å; C36-C69 PolarHBondContact SG-SG 2.04Å; H56-C69 PolarHBondContact ND1-O 2.88Å; H56-C69 VanDerWaalsContact ND1-O 3.1Å; H56-C69 PolarHBondContact O-N 2.66Å; C69-E73 WeakPolarHBondContact CA-O 3.05Å; C69-L74 HydrophobicContact CB-CD2 3.61Å
70N84.7Confident83.9Confident76 Ų7651 Ų5141%0.40626%0.262SS..EExtended strand (participates in β ladder)trans-119.8104.6173.9-170.218.6000109.7Y68 T72 E73Y68-N70 HydrophobicContact CD1-CB 4.35Å; Y68-N70 HydrophobicContact CE1-CB 3.76Å; N70-T72 PolarHBondContact O-N 2.87Å; N70-E73 PolarHBondContact N-O 3.28Å; N70-E73 PolarHBondContact O-N 3.14Å
71F84Confident84.1Confident160 Ų16054.1 Ų54.170%0.70228%0.278SS*.THydrogen-bonded Turntrans56-89.4-174.2-59.4-80.4000113.8N35 C36N35-F71 WeakPolarHBondContact CA-O 3.03Å; C36-F71 PolarHBondContact N-O 3.48Å; C36-F71 PolarHBondContact SG-N 2.98Å; C36-F71 VanDerWaalsContact SG-N 3.44Å; C36-F71 PolarHBondContact SG-O 2.75Å
72T85.3Confident84.5Confident74 Ų7447.6 Ų47.645%0.45426%0.256SS..THydrogen-bonded Turntrans-125.813.7-177.360.20000112.1A30 L31 N70A30-T72 CarbonylContact C-O 3.58Å; A30-T72 WeakPolarHBondContact CA-O 3.01Å; L31-T72 WeakPolarHBondContact CB-O 2.95Å; L31-T72 PolarHBondContact N-O 3.18Å; N70-T72 PolarHBondContact O-N 2.87Å
73E86.6Confident84.7Confident73 Ų7345.9 Ų45.934%0.34123%0.228SC..EExtended strand (participates in β ladder)trans-122.4136.6176.7-174.5175.198.800110.9K28 C69 N70K28-E73 WeakPolarHBondContact CD-OE1 2.8Å; K28-E73 WeakPolarHBondContact CE-OE1 2.95Å; K28-E73 IonicContact NZ-OE1 2.77Å; K28-E73 PolarHBondContact NZ-OE1 2.65Å; C69-E73 WeakPolarHBondContact CA-O 3.05Å; N70-E73 PolarHBondContact N-O 3.28Å; N70-E73 PolarHBondContact O-N 3.14Å
74L87.3Confident84.6Confident1 Ų146 Ų461%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-101.6131.6168.6-69.7170.5000110.2K28 R29 L31 I39 L46 C67 Y68 C69K28-L74 CarbonylContact C-O 3.58Å; K28-L74 VanDerWaalsContact CA-O 3.26Å; K28-L74 WeakPolarHBondContact CA-O 3.45Å; R29-L74 HydrophobicContact CB-CB 4.39Å; R29-L74 PolarHBondContact N-O 2.77Å; R29-L74 PolarHBondContact O-N 3.24Å; L31-L74 HydrophobicContact CD1-CD2 4.43Å; L31-L74 HydrophobicContact CD1-CG 4.07Å; L31-L74 HydrophobicContact CD2-CD1 3.64Å; L31-L74 HydrophobicContact CD2-CG 4.05Å; L31-L74 HydrophobicContact CG-CD1 4.21Å; L31-L74 HydrophobicContact CG-CG 4.05Å; I39-L74 HydrophobicContact CD1-CD1 4.18Å; I39-L74 HydrophobicContact CD1-CD2 3.78Å; I39-L74 HydrophobicContact CD1-CG 4.38Å; L46-L74 HydrophobicContact CD1-CD1 3.6Å; C67-L74 HydrophobicContact CB-CD2 3.99Å; Y68-L74 WeakPolarHBondContact O-CA 3.49Å; C69-L74 HydrophobicContact CB-CD2 3.61Å
75L89.3Confident84Confident61 Ų6145.8 Ų45.832%0.31924%0.241SC..EExtended strand (participates in β ladder)trans-105.1109.9161.9175.464000108.5C26 K28 C67 Y68C26-L75 HydrophobicContact CB-CD1 4.39Å; K28-L75 HydrophobicContact CG-CD1 4.07Å; C67-L75 CarbonylContact C-O 3.51Å; C67-L75 VanDerWaalsContact CA-O 3.25Å; C67-L75 WeakPolarHBondContact CA-O 3.08Å; Y68-L75 PolarHBondContact N-O 2.77Å; Y68-L75 PolarHBondContact O-N 2.84Å
76C87.5Confident83.5Confident1 Ų153.3 Ų53.31%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-109.8132.3-177.6-62.20000110.8C26 Y27 I65 I66 C67C26-C76 CarbonylContact C-O 3.54Å; C26-C76 WeakPolarHBondContact CA-O 3.43Å; Y27-C76 HydrophobicContact CD1-CB 4.07Å; Y27-C76 HydrophobicContact CD2-CB 4.19Å; Y27-C76 HydrophobicContact CE1-CB 3.55Å; Y27-C76 HydrophobicContact CE2-CB 3.68Å; Y27-C76 HydrophobicContact CG-CB 4.37Å; Y27-C76 PolarHBondContact N-O 2.96Å; Y27-C76 PolarHBondContact O-N 3.16Å; I65-C76 HydrophobicContact CG2-CB 3.96Å; I66-C76 CarbonylContact O-C 3.23Å; I66-C76 VanDerWaalsContact O-CA 3.29Å; I66-C76 WeakPolarHBondContact O-CA 3.36Å; C67-C76 HydrophobicContact CB-CB 4.1Å; C67-C76 WeakPolarHBondContact CB-SG 3.48Å; C67-C76 WeakPolarHBondContact SG-CB 3.48Å; C67-C76 CovalentContact SG-SG 2.04Å; C67-C76 PolarHBondContact SG-SG 3.35Å
77C87.4Confident82.8Confident5 Ų557.6 Ų57.63%0.03430%0.295CS..EExtended strand (participates in β ladder)trans-142.4162.4179-59.10000110.6C26 I65 I66 F82C26-C77 HydrophobicContact CB-CB 4.13Å; C26-C77 WeakPolarHBondContact CB-SG 3.03Å; C26-C77 WeakPolarHBondContact SG-CB 3.49Å; C26-C77 CovalentContact SG-SG 2.03Å; C26-C77 PolarHBondContact SG-SG 3.03Å; I65-C77 WeakPolarHBondContact CA-O 3.17Å; I66-C77 PolarHBondContact N-O 2.95Å; I66-C77 PolarHBondContact O-N 3.47Å; C77-F82 HydrophobicContact CB-CB 3.99Å; C77-F82 HydrophobicContact CB-CD2 3.92Å; C77-F82 HydrophobicContact CB-CG 4.46Å
78P86.9Confident81.9Confident12 Ų1258.5 Ų58.58%0.07830%0.301CS..EExtended strand (participates in β ladder)trans-54.5141.3163.6-25.635.6000111.4L24 E64 I65 D80 T81 F82L24-P78 HydrophobicContact CB-CG 4.38Å; L24-P78 WeakPolarHBondContact O-CD 3.4Å; L24-P78 WeakPolarHBondContact O-CG 3.33Å; E64-P78 CarbonylContact O-C 3.38Å; E64-P78 VanDerWaalsContact O-CA 3.29Å; E64-P78 WeakPolarHBondContact O-CA 3.29Å; I65-P78 HydrophobicContact CD1-CG 4.41Å; P78-D80 VanDerWaalsContact C-N 3.27Å; P78-D80 WeakPolarHBondContact CB-OD1 3.47Å; P78-D80 PolarHBondContact O-N 3.41Å; P78-T81 WeakPolarHBondContact O-CA 3.44Å; P78-T81 WeakPolarHBondContact O-CB 3.33Å; P78-T81 PolarHBondContact O-N 2.89Å; P78-F82 PolarHBondContact O-N 2.87Å
79K83.4Confident80.9Confident39 Ų3962.4 Ų62.417%0.1732%0.32CS..Hα-helixtrans-53.3-42.8-177-170.6-176.1-164-173.40113.3C63 E64 I66 T81 F82 F83 S88 I91C63-K79 PolarHBondContact SG-NZ 3.36Å; C63-K79 VanDerWaalsContact SG-NZ 3.36Å; E64-K79 PolarHBondContact O-N 3.2Å; I66-K79 HydrophobicContact CD1-CB 4.44Å; I66-K79 HydrophobicContact CD1-CG 4.18Å; I66-K79 HydrophobicContact CG1-CB 3.83Å; I66-K79 HydrophobicContact CG1-CG 3.77Å; K79-T81 VanDerWaalsContact C-N 3.3Å; K79-T81 PolarHBondContact O-N 2.88Å; K79-F82 PolarHBondContact O-N 2.02Å; K79-F83 HydrophobicContact CG-CD2 4.12Å; K79-F83 PolarHBondContact O-N 3.18Å; K79-F83 VanDerWaalsContact O-N 3.16Å; K79-S88 WeakPolarHBondContact CE-O 2.99Å; K79-S88 PolarHBondContact NZ-O 3.44Å; K79-I91 PolarHBondContact NZ-O 2.75Å
80D81.3Confident80.1Confident61 Ų6166.5 Ų66.533%0.32635%0.345SS..Hα-helixtrans-67-31.9179.670.7-37.4000112.7R23 P78 G84R23-D80 IonicContact CZ-OD2 3.81Å; R23-D80 IonicContact NH1-OD2 2.82Å; R23-D80 PolarHBondContact NH1-OD2 3.32Å; P78-D80 VanDerWaalsContact C-N 3.27Å; P78-D80 WeakPolarHBondContact CB-OD1 3.47Å; P78-D80 PolarHBondContact O-N 3.41Å; D80-G84 CarbonylContact O-C 3.59Å; D80-G84 VanDerWaalsContact O-C 3.23Å; D80-G84 WeakPolarHBondContact O-CA 3Å; D80-G84 PolarHBondContact O-N 2.85Å
81T84.1Confident79.4Confident74 Ų7463.8 Ų63.845%0.45433%0.33SS..Hα-helixtrans-79.4-39.7177.1-57.30000111P78 K79P78-T81 WeakPolarHBondContact O-CA 3.44Å; P78-T81 WeakPolarHBondContact O-CB 3.33Å; P78-T81 PolarHBondContact O-N 2.89Å; K79-T81 VanDerWaalsContact C-N 3.3Å; K79-T81 PolarHBondContact O-N 2.88Å
82F84.1Confident78.5Confident54 Ų5459.2 Ų59.224%0.23732%0.317CS..Hα-helixtrans-68.7-53.4-175.8-165.9-84.4000112.4F57 I66 Y68 C77 P78 K79F57-F82 HydrophobicContact CD1-CE1 4.32Å; F57-F82 AromaticContact CE1-CE1 3.78Å; F57-F82 HydrophobicContact CE1-CE1 3.78Å; F57-F82 HydrophobicContact CE1-CZ 4.07Å; I66-F82 HydrophobicContact CB-CB 4.33Å; I66-F82 HydrophobicContact CB-CG 4.24Å; I66-F82 HydrophobicContact CG2-CD1 4.02Å; I66-F82 HydrophobicContact CG2-CE1 4.39Å; I66-F82 HydrophobicContact CG2-CG 4.18Å; Y68-F82 HydrophobicContact CG-CZ 4.44Å; C77-F82 HydrophobicContact CB-CB 3.99Å; C77-F82 HydrophobicContact CB-CD2 3.92Å; C77-F82 HydrophobicContact CB-CG 4.46Å; P78-F82 PolarHBondContact O-N 2.87Å; K79-F82 PolarHBondContact O-N 2.02Å
83F79.4Confident77.8Confident34 Ų3457.3 Ų57.315%0.14931%0.306CS..SBendtrans-92.8-8.9-177.6-65.6-63.8000113.1F57 I66 K79 I87 I91F57-F83 HydrophobicContact CD1-CZ 4.36Å; F57-F83 HydrophobicContact CE1-CE1 4.36Å; I66-F83 HydrophobicContact CB-CE2 4.2Å; I66-F83 HydrophobicContact CD1-CE2 4.37Å; I66-F83 HydrophobicContact CG1-CD2 4.32Å; I66-F83 HydrophobicContact CG1-CE2 3.77Å; I66-F83 HydrophobicContact CG2-CE2 3.71Å; I66-F83 HydrophobicContact CG2-CZ 3.84Å; K79-F83 HydrophobicContact CG-CD2 4.12Å; K79-F83 PolarHBondContact O-N 3.18Å; K79-F83 VanDerWaalsContact O-N 3.16Å; F83-I87 HydrophobicContact CB-CB 4.08Å; F83-I87 HydrophobicContact CB-CG2 4.18Å; F83-I87 WeakPolarHBondContact O-CB 3.43Å; F83-I91 HydrophobicContact CB-CD1 4.45Å; F83-I91 HydrophobicContact CD1-CD1 3.33Å; F83-I91 HydrophobicContact CD2-CD1 3.66Å; F83-I91 HydrophobicContact CE1-CD1 3.22Å; F83-I91 HydrophobicContact CE2-CB 4.41Å; F83-I91 HydrophobicContact CE2-CD1 3.5Å; F83-I91 VanDerWaalsContact CE2-CD1 3.5Å; F83-I91 HydrophobicContact CE2-CG2 4.13Å; F83-I91 HydrophobicContact CG-CD1 3.56Å; F83-I91 HydrophobicContact CZ-CD1 3.3Å; F83-I91 HydrophobicContact CZ-CG2 4.34Å
84G75.6Confident76.7Confident22 Ų2257 Ų5723%0.22731%0.312CS..  trans74.1163.9-16600000112.4D80 K86 I87 S88D80-G84 CarbonylContact O-C 3.59Å; D80-G84 VanDerWaalsContact O-C 3.23Å; D80-G84 WeakPolarHBondContact O-CA 3Å; D80-G84 PolarHBondContact O-N 2.85Å; G84-K86 PolarHBondContact O-N 3.5Å; G84-I87 PolarHBondContact O-N 3.1Å; G84-S88 WeakPolarHBondContact O-CB 3.26Å; G84-S88 PolarHBondContact O-N 2.87Å; G84-S88 VanDerWaalsContact O-N 3.11Å; G84-S88 PolarHBondContact O-OG 2.03Å
85P69.6Low75.2Confident112 Ų11262.8 Ų62.873%0.72735%0.353SS*.THydrogen-bonded Turntrans-67.3-21.2-172.425-34.2000113.8
86K72.9Confident73.3Confident180 Ų18069.9 Ų69.978%0.78338%0.384SS*.THydrogen-bonded Turntrans-83.5-25.6-178.6-68-174.5179.2-178.60114G84 F89G84-K86 PolarHBondContact O-N 3.5Å; K86-F89 WeakPolarHBondContact O-CD1 3.21Å; K86-F89 WeakPolarHBondContact O-CE1 3Å
87I71.1Confident72.6Confident90 Ų9073.3 Ų73.346%0.46240%0.403SS..THydrogen-bonded Turntrans-109.6-27-172.6-57.2170.9000110.9F83 G84 F89 V90 I91F83-I87 HydrophobicContact CB-CB 4.08Å; F83-I87 HydrophobicContact CB-CG2 4.18Å; F83-I87 WeakPolarHBondContact O-CB 3.43Å; G84-I87 PolarHBondContact O-N 3.1Å; I87-F89 PolarHBondContact O-N 2.82Å; I87-V90 HydrophobicContact CG2-CG2 4.07Å; I87-V90 WeakPolarHBondContact O-CG2 3.46Å; I87-V90 PolarHBondContact O-N 3.03Å; I87-V90 VanDerWaalsContact O-N 3.1Å; I87-I91 HydrophobicContact CG2-CD1 3.92Å; I87-I91 HydrophobicContact CG2-CG1 4.27Å
88S68.8Low71.8Confident19 Ų1976.9 Ų76.913%0.13342%0.422CS..THydrogen-bonded Turntrans-56.3-24.7178.748.10000114.9K79 G84K79-S88 WeakPolarHBondContact CE-O 2.99Å; K79-S88 PolarHBondContact NZ-O 3.44Å; G84-S88 WeakPolarHBondContact O-CB 3.26Å; G84-S88 PolarHBondContact O-N 2.87Å; G84-S88 VanDerWaalsContact O-N 3.11Å; G84-S88 PolarHBondContact O-OG 2.03Å
89F65.4Low70.9Confident163 Ų16380.5 Ų80.572%0.71544%0.441SS*.THydrogen-bonded Turntrans-79.2-27.6178.588.9-91.8000114.2K86 I87K86-F89 WeakPolarHBondContact O-CD1 3.21Å; K86-F89 WeakPolarHBondContact O-CE1 3Å; I87-F89 PolarHBondContact O-N 2.82Å
90V67.5Low70.2Confident85 Ų8582.9 Ų82.952%0.51546%0.457SS..THydrogen-bonded Turntrans-88.4-19.2-175.7-72.10000113.4I87 P92I87-V90 HydrophobicContact CG2-CG2 4.07Å; I87-V90 WeakPolarHBondContact O-CG2 3.46Å; I87-V90 PolarHBondContact O-N 3.03Å; I87-V90 VanDerWaalsContact O-N 3.1Å; V90-P92 WeakPolarHBondContact O-CD 3.38Å
91I69.7Low69.5Low19 Ų1984.3 Ų84.310%0.09747%0.466CS..SBendtrans-78.4111.2-177.1-67.6-177.9000108.7I49 L53 K79 F83 I87I49-I91 HydrophobicContact CG2-CG2 4.33Å; L53-I91 HydrophobicContact CD1-CD1 4.49Å; L53-I91 HydrophobicContact CD1-CG2 3.62Å; K79-I91 PolarHBondContact NZ-O 2.75Å; F83-I91 HydrophobicContact CB-CD1 4.45Å; F83-I91 HydrophobicContact CD1-CD1 3.33Å; F83-I91 HydrophobicContact CD2-CD1 3.66Å; F83-I91 HydrophobicContact CE1-CD1 3.22Å; F83-I91 HydrophobicContact CE2-CB 4.41Å; F83-I91 HydrophobicContact CE2-CD1 3.5Å; F83-I91 VanDerWaalsContact CE2-CD1 3.5Å; F83-I91 HydrophobicContact CE2-CG2 4.13Å; F83-I91 HydrophobicContact CG-CD1 3.56Å; F83-I91 HydrophobicContact CZ-CD1 3.3Å; F83-I91 HydrophobicContact CZ-CG2 4.34Å; I87-I91 HydrophobicContact CG2-CD1 3.92Å; I87-I91 HydrophobicContact CG2-CG1 4.27Å
92P66.4Low68.5Low65 Ų6585 Ų8542%0.42247%0.466SS..  trans-67.1142.7-178.429.9-33.2000109.1I49 V90I49-P92 WeakPolarHBondContact CG2-O 3.44Å; V90-P92 WeakPolarHBondContact O-CD 3.38Å
93C69.3Low67.4Low34 Ų3487.2 Ų87.223%0.2348%0.483CS..  trans-121.2147.7173.2-770000107.9E59 C63 S95E59-C93 WeakPolarHBondContact OE2-CA 3.45Å; E59-C93 WeakPolarHBondContact OE2-CB 3.49Å; E59-C93 PolarHBondContact OE2-SG 3.23Å; C63-C93 HydrophobicContact CB-CB 3.28Å; C63-C93 WeakPolarHBondContact CB-SG 3.41Å; C63-C93 WeakPolarHBondContact SG-CB 3.45Å; C63-C93 CovalentContact SG-SG 2Å; C63-C93 PolarHBondContact SG-SG 2.99Å; C93-S95 PolarHBondContact O-N 2.99Å; C93-S95 VanDerWaalsContact O-N 3.09Å
94S64.9Low66.5Low66 Ų6691.3 Ų91.346%0.46251%0.508SS..  trans-70.9113.4179.179.60000108.8E59 Q96E59-S94 WeakPolarHBondContact OE1-CB 3.43Å; E59-S94 PolarHBondContact OE1-N 2.78Å; E59-S94 PolarHBondContact OE1-OG 2.84Å; E59-S94 PolarHBondContact OE2-N 2.85Å; S94-Q96 PolarHBondContact O-N 2.77Å; S94-Q96 VanDerWaalsContact O-N 3.15Å
95S54.6Low65.8Low123 Ų12397.1 Ų97.186%0.8653%0.532SS*.  trans-80.688.6171.1590000107.8C93C93-S95 PolarHBondContact O-N 2.99Å; C93-S95 VanDerWaalsContact O-N 3.09Å
96Q49.1Very low65.4Low209 Ų20995.7 Ų95.798%0.97751%0.514SS*.  trans-98.80163.5-166.1178.779.500109.7S94S94-Q96 PolarHBondContact O-N 2.77Å; S94-Q96 VanDerWaalsContact O-N 3.15Å

Retrieved 96 of 96 residues in 664.4 ms (Link to these results)