A0A3Q0KUE3_SCHMA Loading...

Selenoprotein W, putative

AlphaFold DB , UniProt , Accession A0A3Q0KUE3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 84 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
1M73.2Confident90Very high232 Ų23252.5 Ų52.5100%1.14328%0.277SS*.  0133.20-73.5172.3176.600107.3
2T86.5Confident89.7Confident77 Ų7753.3 Ų53.347%0.47230%0.297SS..PPolyproline II helixtrans-99.5127.7175.930.10000109.3K33T2-K33 CarbonylContact C-O 3.4Å; T2-K33 VanDerWaalsContact CA-O 3.31Å; T2-K33 WeakPolarHBondContact CA-O 3.18Å
3L90.5Very high89.1Confident21 Ų2152.4 Ų52.411%0.1130%0.296CS..EExtended strand (participates in β ladder)trans-82.9120.1-179.7-136.7144.1000108.8I5 K33 L34 E35 V52 L83 L84L3-I5 HydrophobicContact CD2-CD1 3.94Å; L3-K33 PolarHBondContact N-O 3.07Å; L3-L34 HydrophobicContact CB-CD2 3.6Å; L3-L34 WeakPolarHBondContact O-CA 3.48Å; L3-E35 PolarHBondContact O-N 3.18Å; L3-V52 HydrophobicContact CD2-CB 4.27Å; L3-V52 HydrophobicContact CD2-CG1 3.49Å; L3-V52 VanDerWaalsContact CD2-CG1 3.49Å; L3-V52 HydrophobicContact CD2-CG2 3.82Å; L3-L83 VanDerWaalsContact CD1-C 3.42Å; L3-L83 HydrophobicContact CD1-CB 3.6Å; L3-L83 VanDerWaalsContact CD1-O 3.22Å; L3-L83 WeakPolarHBondContact CD1-O 3.33Å; L3-L84 HydrophobicContact CB-CD2 4.14Å; L3-L84 HydrophobicContact CD1-CB 4.39Å; L3-L84 HydrophobicContact CD1-CD2 4.04Å; L3-L84 HydrophobicContact CD1-CG 3.79Å
4K93.4Very high88.9Confident102 Ų10252 Ų5244%0.44331%0.309SS..EExtended strand (participates in β ladder)trans-86.9120.4-178.6-68.3176.4-171-99.80109.6E35 V53K4-E35 CarbonylContact C-O 3.58Å; K4-E35 VanDerWaalsContact CA-O 3.29Å; K4-E35 WeakPolarHBondContact CA-O 3.4Å; K4-E35 WeakPolarHBondContact CE-OE1 3.41Å; K4-E35 HydrophobicContact CG-CB 4.15Å; K4-E35 IonicContact NZ-OE1 2.7Å; K4-E35 PolarHBondContact NZ-OE1 3.13Å; K4-V53 HydrophobicContact CB-CB 3.73Å; K4-V53 HydrophobicContact CB-CG2 3.64Å; K4-V53 PolarHBondContact O-N 3.22Å
5I94.1Very high88.8Confident0 Ų050.9 Ų50.90%030%0.298CS..EExtended strand (participates in β ladder)trans-107.9126.8175.3-56.6-64.2000108L3 V7 L34 E35 I36 S37 V50 Q51 V52 L58 I80L3-I5 HydrophobicContact CD2-CD1 3.94Å; I5-V7 HydrophobicContact CG2-CG2 4.02Å; I5-L34 HydrophobicContact CG1-CD2 4.49Å; I5-E35 PolarHBondContact N-O 3.46Å; I5-I36 HydrophobicContact CB-CG1 4.26Å; I5-I36 CarbonylContact O-C 3.58Å; I5-I36 WeakPolarHBondContact O-CA 3.26Å; I5-S37 PolarHBondContact O-N 3.15Å; I5-V50 HydrophobicContact CG2-CG1 3.79Å; I5-Q51 CarbonylContact C-O 3.58Å; I5-Q51 WeakPolarHBondContact CA-O 3.4Å; I5-V52 HydrophobicContact CD1-CB 4.49Å; I5-V52 HydrophobicContact CD1-CG2 3.72Å; I5-L58 HydrophobicContact CD1-CD1 4.02Å; I5-I80 HydrophobicContact CD1-CD1 3.97Å; I5-I80 HydrophobicContact CD1-CG1 4.04Å; I5-I80 HydrophobicContact CG1-CD1 4.3Å
6H94.8Very high88.8Confident49 Ų4955.4 Ų55.423%0.22732%0.315CS..EExtended strand (participates in β ladder)trans-109127.1173.1-169.5104.4000109.2S37 Q51 V53H6-S37 CarbonylContact C-O 3.5Å; H6-Q51 PolarHBondContact N-O 2.7Å; H6-Q51 PolarHBondContact O-N 3.21Å; H6-V53 HydrophobicContact CB-CG2 3.83Å
7V94.1Very high88.9Confident0 Ų057.4 Ų57.40%033%0.331CS..EExtended strand (participates in β ladder)trans-117.5115.5179.9-172.70000110I5 Y19 F22 I36 S37 G38 E39 F48 E49 V50I5-V7 HydrophobicContact CG2-CG2 4.02Å; V7-Y19 HydrophobicContact CB-CD2 3.78Å; V7-Y19 HydrophobicContact CB-CE2 3.74Å; V7-Y19 HydrophobicContact CG1-CD2 3.81Å; V7-Y19 HydrophobicContact CG1-CE2 4.31Å; V7-Y19 HydrophobicContact CG2-CD2 4.2Å; V7-Y19 HydrophobicContact CG2-CE2 3.94Å; V7-F22 HydrophobicContact CG2-CD1 4.31Å; V7-F22 HydrophobicContact CG2-CE1 3.96Å; V7-I36 HydrophobicContact CG2-CG2 4.3Å; V7-S37 PolarHBondContact N-O 2.98Å; V7-G38 CarbonylContact O-C 3.51Å; V7-G38 VanDerWaalsContact O-CA 3.27Å; V7-G38 WeakPolarHBondContact O-CA 3.49Å; V7-E39 PolarHBondContact O-N 3.46Å; V7-F48 HydrophobicContact CG1-CE1 4.29Å; V7-F48 HydrophobicContact CG1-CZ 4.19Å; V7-E49 CarbonylContact C-O 3.51Å; V7-E49 WeakPolarHBondContact CA-O 3.25Å; V7-V50 HydrophobicContact CG1-CG2 4.2Å; V7-V50 HydrophobicContact CG2-CG1 4.33Å; V7-V50 HydrophobicContact CG2-CG2 4.32Å
8I93Very high89Confident38 Ų3859.6 Ų59.620%0.19534%0.336CS..EExtended strand (participates in β ladder)trans-94.8122.1173.4-55.1177.3000107.9E39 T41 W47 F48 E49I8-E39 WeakPolarHBondContact CA-O 3.31Å; I8-T41 HydrophobicContact CG2-CG2 3.52Å; I8-W47 HydrophobicContact CG2-CE3 4.2Å; I8-F48 CarbonylContact O-C 3.56Å; I8-F48 VanDerWaalsContact O-CA 3.23Å; I8-F48 WeakPolarHBondContact O-CA 3.36Å; I8-E49 HydrophobicContact CB-CB 4.27Å; I8-E49 PolarHBondContact N-O 2.55Å; I8-E49 PolarHBondContact O-N 2.91Å
9Y92.9Very high89.1Confident22 Ų2257.7 Ų57.79%0.08632%0.323CS..EExtended strand (participates in β ladder)trans-129.6152.2178.662.4-88.2000111.9G11 E16 Y19 E39 G40 T41 W47Y9-G11 PolarHBondContact O-N 3.05Å; Y9-E16 HydrophobicContact CE2-CB 4.06Å; Y9-E16 HydrophobicContact CE2-CG 4.47Å; Y9-Y19 HydrophobicContact CD1-CD1 4.35Å; Y9-Y19 HydrophobicContact CD1-CD2 4.12Å; Y9-Y19 AromaticContact CD1-CG 3.82Å; Y9-Y19 HydrophobicContact CD1-CG 3.82Å; Y9-Y19 AromaticContact CE1-CD1 3.72Å; Y9-Y19 HydrophobicContact CE1-CD1 3.72Å; Y9-Y19 HydrophobicContact CE1-CD2 4.19Å; Y9-Y19 HydrophobicContact CE1-CE1 4.27Å; Y9-Y19 AromaticContact CE1-CG 3.67Å; Y9-Y19 HydrophobicContact CE1-CG 3.67Å; Y9-E39 PolarHBondContact N-O 3.16Å; Y9-G40 CarbonylContact O-C 3.54Å; Y9-G40 WeakPolarHBondContact O-CA 3.29Å; Y9-T41 PolarHBondContact O-N 3.12Å; Y9-W47 CarbonylContact C-O 3.5Å; Y9-W47 WeakPolarHBondContact CA-O 3.31Å
10C89.9Confident89.3Confident0 Ų058.9 Ų58.90%033%0.329CS..EExtended strand (participates in β ladder)trans-67.9101.1174.2-177.30000111C13 Y15 T45 W47C10-C13 HydrophobicContact CB-CB 3.59Å; C10-C13 WeakPolarHBondContact CB-SG 3.47Å; C10-C13 PolarHBondContact O-N 3.27Å; C10-C13 WeakPolarHBondContact SG-CB 3.22Å; C10-C13 PolarHBondContact SG-N 3.49Å; C10-C13 CovalentContact SG-SG 2.04Å; C10-C13 PolarHBondContact SG-SG 2.88Å; C10-Y15 HydrophobicContact CB-CD2 3.72Å; C10-Y15 HydrophobicContact CB-CE2 3.85Å; C10-Y15 HydrophobicContact CB-CG 4.37Å; C10-Y15 PolarHBondContact O-N 3.37Å; C10-T45 PolarHBondContact SG-N 3.22Å; C10-W47 PolarHBondContact N-O 3.25Å
11G87.6Confident89.4Confident36 Ų3659 Ų5937%0.37133%0.334SS..G310 helixtrans-63.7-42.217700000112Y9 C13 G14 T41Y9-G11 PolarHBondContact O-N 3.05Å; G11-C13 PolarHBondContact O-N 3.39Å; G11-G14 PolarHBondContact O-N 2.96Å; G11-T41 PolarHBondContact N-O 3.31Å
12A86.2Confident90.3Very high62 Ų6248.2 Ų48.251%0.51228%0.28SS..G310 helixtrans-67.9-14.3177.400000114.5
13C82.6Confident90.6Very high42 Ų4246.8 Ų46.828%0.28427%0.268SS..G310 helixtrans-97.22-178.4-52.10000113.5C10 G11 Y15 S44C10-C13 HydrophobicContact CB-CB 3.59Å; C10-C13 WeakPolarHBondContact CB-SG 3.47Å; C10-C13 PolarHBondContact O-N 3.27Å; C10-C13 WeakPolarHBondContact SG-CB 3.22Å; C10-C13 PolarHBondContact SG-N 3.49Å; C10-C13 CovalentContact SG-SG 2.04Å; C10-C13 PolarHBondContact SG-SG 2.88Å; G11-C13 PolarHBondContact O-N 3.39Å; C13-Y15 HydrophobicContact CB-CD1 3.81Å; C13-Y15 HydrophobicContact CB-CD2 4.42Å; C13-Y15 HydrophobicContact CB-CE1 3.51Å; C13-Y15 HydrophobicContact CB-CE2 4.21Å; C13-Y15 HydrophobicContact CB-CG 4.23Å; C13-Y15 WeakPolarHBondContact O-CD1 3.48Å; C13-S44 PolarHBondContact SG-OG 3.22Å; C13-S44 VanDerWaalsContact SG-OG 3.36Å
14G85.1Confident90.7Very high47 Ų4750.2 Ų50.249%0.48528%0.283SS..THydrogen-bonded Turntrans70.233.5-176.200000113.8G11 E16 P17G11-G14 PolarHBondContact O-N 2.96Å; G14-E16 VanDerWaalsContact C-N 3.3Å; G14-P17 WeakPolarHBondContact O-CD 3.14Å
15Y88.6Confident90.7Very high35 Ų3549.2 Ų49.214%0.13728%0.28CS..  trans-84.7-4.8178.2-66.9-1.4000113.8C10 C13 K18 Y19 W47 F48 K61 F67C10-Y15 HydrophobicContact CB-CD2 3.72Å; C10-Y15 HydrophobicContact CB-CE2 3.85Å; C10-Y15 HydrophobicContact CB-CG 4.37Å; C10-Y15 PolarHBondContact O-N 3.37Å; C13-Y15 HydrophobicContact CB-CD1 3.81Å; C13-Y15 HydrophobicContact CB-CD2 4.42Å; C13-Y15 HydrophobicContact CB-CE1 3.51Å; C13-Y15 HydrophobicContact CB-CE2 4.21Å; C13-Y15 HydrophobicContact CB-CG 4.23Å; C13-Y15 WeakPolarHBondContact O-CD1 3.48Å; Y15-K18 WeakPolarHBondContact O-CA 3.49Å; Y15-K18 WeakPolarHBondContact O-CB 3.32Å; Y15-K18 PolarHBondContact O-N 2.92Å; Y15-Y19 PolarHBondContact O-N 3.03Å; Y15-W47 WeakPolarHBondContact CD2-O 3.37Å; Y15-F48 HydrophobicContact CD2-CD2 4.34Å; Y15-K61 PolarHBondContact OH-NZ 2.81Å; Y15-F67 HydrophobicContact CD1-CE1 4.05Å; Y15-F67 HydrophobicContact CD1-CZ 4.03Å; Y15-F67 HydrophobicContact CD2-CE1 4.06Å; Y15-F67 HydrophobicContact CD2-CZ 4.47Å; Y15-F67 AromaticContact CE1-CE1 3.91Å; Y15-F67 HydrophobicContact CE1-CE1 3.91Å; Y15-F67 AromaticContact CE1-CZ 3.45Å; Y15-F67 HydrophobicContact CE1-CZ 3.45Å; Y15-F67 VanDerWaalsContact CE1-CZ 3.45Å; Y15-F67 AromaticContact CE2-CE1 3.87Å; Y15-F67 HydrophobicContact CE2-CE1 3.87Å; Y15-F67 AromaticContact CE2-CZ 3.92Å; Y15-F67 HydrophobicContact CE2-CZ 3.92Å; Y15-F67 HydrophobicContact CG-CE1 4.16Å; Y15-F67 AromaticContact CZ-CE1 3.81Å; Y15-F67 AromaticContact CZ-CZ 3.39Å
16E88.1Confident90.5Very high124 Ų12449.2 Ų49.258%0.57928%0.28SS*.Hα-helixtrans-49.5-50.2175.1-168.8-179.796.600113.8Y9 G14 K18 Y19 N20Y9-E16 HydrophobicContact CE2-CB 4.06Å; Y9-E16 HydrophobicContact CE2-CG 4.47Å; G14-E16 VanDerWaalsContact C-N 3.3Å; E16-K18 VanDerWaalsContact C-N 3.27Å; E16-K18 PolarHBondContact O-N 3.23Å; E16-Y19 PolarHBondContact O-N 3.45Å; E16-N20 PolarHBondContact O-N 3.23Å
17P91.1Very high90.3Very high89 Ų8950.6 Ų50.658%0.57829%0.286SS*.Hα-helixtrans-61.7-33.1176.621.9-34.3000113.2G14 N20 S21G14-P17 WeakPolarHBondContact O-CD 3.14Å; P17-N20 PolarHBondContact O-N 3.48Å; P17-S21 WeakPolarHBondContact O-CB 3.4Å; P17-S21 PolarHBondContact O-N 3.46Å
18K89.4Confident90.2Very high97 Ų9759.7 Ų59.742%0.42232%0.321SS..Hα-helixtrans-70.5-42.4176.3-68.9-170.6179.8-163.30111.5Y15 E16 N20 S21 F22 F48 F67Y15-K18 WeakPolarHBondContact O-CA 3.49Å; Y15-K18 WeakPolarHBondContact O-CB 3.32Å; Y15-K18 PolarHBondContact O-N 2.92Å; E16-K18 VanDerWaalsContact C-N 3.27Å; E16-K18 PolarHBondContact O-N 3.23Å; K18-N20 VanDerWaalsContact C-N 3.33Å; K18-S21 PolarHBondContact O-N 3.48Å; K18-F22 VanDerWaalsContact O-CB 3.29Å; K18-F22 WeakPolarHBondContact O-CB 3.41Å; K18-F22 PolarHBondContact O-N 3.43Å; K18-F48 HydrophobicContact CB-CE2 4.32Å; K18-F67 HydrophobicContact CD-CD1 3.56Å; K18-F67 HydrophobicContact CD-CE1 3.38Å; K18-F67 HydrophobicContact CD-CG 4.37Å; K18-F67 HydrophobicContact CD-CZ 4.04Å; K18-F67 VanDerWaalsContact NZ-CE1 3.31Å; K18-F67 VanDerWaalsContact NZ-CE2 3.25Å
19Y92.2Very high90.1Very high23 Ų2362.9 Ų62.99%0.0933%0.33CS..Hα-helixtrans-58.8-46.1172.6164.4-107.1000111V7 Y9 Y15 E16 S21 F22 K23 I36 S37 G38V7-Y19 HydrophobicContact CB-CD2 3.78Å; V7-Y19 HydrophobicContact CB-CE2 3.74Å; V7-Y19 HydrophobicContact CG1-CD2 3.81Å; V7-Y19 HydrophobicContact CG1-CE2 4.31Å; V7-Y19 HydrophobicContact CG2-CD2 4.2Å; V7-Y19 HydrophobicContact CG2-CE2 3.94Å; Y9-Y19 HydrophobicContact CD1-CD1 4.35Å; Y9-Y19 HydrophobicContact CD1-CD2 4.12Å; Y9-Y19 AromaticContact CD1-CG 3.82Å; Y9-Y19 HydrophobicContact CD1-CG 3.82Å; Y9-Y19 AromaticContact CE1-CD1 3.72Å; Y9-Y19 HydrophobicContact CE1-CD1 3.72Å; Y9-Y19 HydrophobicContact CE1-CD2 4.19Å; Y9-Y19 HydrophobicContact CE1-CE1 4.27Å; Y9-Y19 AromaticContact CE1-CG 3.67Å; Y9-Y19 HydrophobicContact CE1-CG 3.67Å; Y15-Y19 PolarHBondContact O-N 3.03Å; E16-Y19 PolarHBondContact O-N 3.45Å; Y19-S21 PolarHBondContact O-N 3.11Å; Y19-F22 WeakPolarHBondContact O-CB 3.36Å; Y19-F22 PolarHBondContact O-N 2.82Å; Y19-K23 HydrophobicContact CE1-CD 4.32Å; Y19-K23 HydrophobicContact CE2-CB 4.47Å; Y19-K23 WeakPolarHBondContact O-CB 3.37Å; Y19-K23 PolarHBondContact O-N 3.3Å; Y19-I36 HydrophobicContact CE2-CG2 4.06Å; Y19-S37 VanDerWaalsContact OH-C 3.26Å; Y19-G38 VanDerWaalsContact CZ-CA 3.42Å; Y19-G38 WeakPolarHBondContact OH-CA 3.25Å; Y19-G38 PolarHBondContact OH-N 2.91Å
20N92.7Very high90.1Very high82 Ų8262.4 Ų62.444%0.43933%0.329SS..Hα-helixtrans-65.8-40.1-177.4-141.8-10.7000112E16 P17 K18 K23 Q24E16-N20 PolarHBondContact O-N 3.23Å; P17-N20 PolarHBondContact O-N 3.48Å; K18-N20 VanDerWaalsContact C-N 3.33Å; N20-K23 PolarHBondContact O-N 3.4Å; N20-Q24 PolarHBondContact O-N 3.05Å
21S92.3Very high90Very high62 Ų6267.1 Ų67.143%0.43436%0.359SS..Hα-helixtrans-63-44172.1-176.40000112.3P17 K18 Y19 Q24 Q25P17-S21 WeakPolarHBondContact O-CB 3.4Å; P17-S21 PolarHBondContact O-N 3.46Å; K18-S21 PolarHBondContact O-N 3.48Å; Y19-S21 PolarHBondContact O-N 3.11Å; S21-Q24 PolarHBondContact O-N 2.87Å; S21-Q25 WeakPolarHBondContact O-CG 3.23Å; S21-Q25 PolarHBondContact O-N 3.39Å; S21-Q25 VanDerWaalsContact O-N 3.08Å; S21-Q25 PolarHBondContact O-NE2 3.1Å; S21-Q25 PolarHBondContact OG-NE2 3.49Å
22F91.8Very high90.1Very high5 Ų569 Ų692%0.02238%0.379CS..Hα-helixtrans-61.8-45.8176.8174.8-101.4000111.8V7 K18 Y19 Q25 L26 F48 V50 V68 L73 I76V7-F22 HydrophobicContact CG2-CD1 4.31Å; V7-F22 HydrophobicContact CG2-CE1 3.96Å; K18-F22 VanDerWaalsContact O-CB 3.29Å; K18-F22 WeakPolarHBondContact O-CB 3.41Å; K18-F22 PolarHBondContact O-N 3.43Å; Y19-F22 WeakPolarHBondContact O-CB 3.36Å; Y19-F22 PolarHBondContact O-N 2.82Å; F22-Q25 PolarHBondContact O-N 2.93Å; F22-L26 HydrophobicContact CD1-CD1 4.1Å; F22-L26 HydrophobicContact CE1-CD1 3.36Å; F22-L26 HydrophobicContact CE1-CG 4.33Å; F22-L26 HydrophobicContact CE2-CD1 4.19Å; F22-L26 HydrophobicContact CE2-CG 4.44Å; F22-L26 HydrophobicContact CZ-CD1 3.42Å; F22-L26 VanDerWaalsContact CZ-CD1 3.42Å; F22-L26 HydrophobicContact CZ-CG 4.13Å; F22-L26 PolarHBondContact O-N 3.1Å; F22-F48 HydrophobicContact CB-CZ 4.33Å; F22-F48 HydrophobicContact CG-CZ 4.44Å; F22-V50 HydrophobicContact CE1-CG1 4Å; F22-V50 HydrophobicContact CE1-CG2 3.87Å; F22-V50 HydrophobicContact CZ-CB 4.44Å; F22-V50 HydrophobicContact CZ-CG1 3.83Å; F22-V50 HydrophobicContact CZ-CG2 3.77Å; F22-V68 HydrophobicContact CD2-CB 4.34Å; F22-V68 HydrophobicContact CD2-CG1 3.96Å; F22-V68 HydrophobicContact CD2-CG2 4.32Å; F22-V68 HydrophobicContact CE2-CG1 3.96Å; F22-V68 HydrophobicContact CE2-CG2 4.27Å; F22-L73 HydrophobicContact CD2-CD1 3.74Å; F22-L73 HydrophobicContact CE2-CD1 3.99Å; F22-I76 HydrophobicContact CE2-CD1 3.84Å; F22-I76 HydrophobicContact CE2-CG2 4.5Å; F22-I76 HydrophobicContact CZ-CD1 4.13Å; F22-I76 HydrophobicContact CZ-CG2 4.12Å
23K92.7Very high90.3Very high47 Ų4771.5 Ų71.520%0.20438%0.378CS..Hα-helixtrans-56.3-52175.9-176.4-177.8-177-76.20111.1Y19 N20 Q25 L26 E27 I36Y19-K23 HydrophobicContact CE1-CD 4.32Å; Y19-K23 HydrophobicContact CE2-CB 4.47Å; Y19-K23 WeakPolarHBondContact O-CB 3.37Å; Y19-K23 PolarHBondContact O-N 3.3Å; N20-K23 PolarHBondContact O-N 3.4Å; K23-Q25 VanDerWaalsContact C-N 3.31Å; K23-Q25 PolarHBondContact O-N 3.35Å; K23-L26 PolarHBondContact O-N 2.78Å; K23-E27 HydrophobicContact CG-CG 4.48Å; K23-E27 WeakPolarHBondContact CG-OE2 3.12Å; K23-E27 IonicContact NZ-OE1 3.02Å; K23-E27 PolarHBondContact NZ-OE1 2.72Å; K23-E27 IonicContact NZ-OE2 2.76Å; K23-E27 PolarHBondContact NZ-OE2 3.13Å; K23-E27 WeakPolarHBondContact O-CG 3.33Å; K23-E27 PolarHBondContact O-N 2.85Å; K23-I36 HydrophobicContact CB-CG2 4.38Å; K23-I36 HydrophobicContact CD-CG2 4.49Å; K23-I36 HydrophobicContact CG-CB 4.05Å; K23-I36 HydrophobicContact CG-CD1 3.9Å; K23-I36 HydrophobicContact CG-CG2 3.97Å
24Q92.6Very high90.7Very high93 Ų9370.3 Ų70.344%0.43537%0.369SS..Hα-helixtrans-58.7-40.2178-89.5-174.356.300113N20 S21 E27 R28N20-Q24 PolarHBondContact O-N 3.05Å; S21-Q24 PolarHBondContact O-N 2.87Å; Q24-E27 PolarHBondContact O-N 3.11Å; Q24-R28 WeakPolarHBondContact O-CB 3.48Å; Q24-R28 VanDerWaalsContact O-CG 3.25Å; Q24-R28 WeakPolarHBondContact O-CG 3.5Å; Q24-R28 PolarHBondContact O-N 3.16Å
25Q91.9Very high91.1Very high80 Ų8072.4 Ų72.437%0.37437%0.366SS..Hα-helixtrans-64.8-40.8178.6-73.7-179.976.100111.9S21 F22 K23 R29 L73S21-Q25 WeakPolarHBondContact O-CG 3.23Å; S21-Q25 PolarHBondContact O-N 3.39Å; S21-Q25 VanDerWaalsContact O-N 3.08Å; S21-Q25 PolarHBondContact O-NE2 3.1Å; S21-Q25 PolarHBondContact OG-NE2 3.49Å; F22-Q25 PolarHBondContact O-N 2.93Å; K23-Q25 VanDerWaalsContact C-N 3.31Å; K23-Q25 PolarHBondContact O-N 3.35Å; Q25-R29 WeakPolarHBondContact O-CG 3.48Å; Q25-R29 PolarHBondContact O-N 2.88Å; Q25-R29 VanDerWaalsContact O-N 3.13Å; Q25-L73 HydrophobicContact CB-CD1 4.02Å; Q25-L73 HydrophobicContact CB-CD2 4.4Å
26L91.2Very high91.3Very high1 Ų171.5 Ų71.51%0.00536%0.363CS..Hα-helixtrans-66.5-45.9174.6-80.7177.6000112.3F22 K23 R28 R29 F30 L34 I36 I80F22-L26 HydrophobicContact CD1-CD1 4.1Å; F22-L26 HydrophobicContact CE1-CD1 3.36Å; F22-L26 HydrophobicContact CE1-CG 4.33Å; F22-L26 HydrophobicContact CE2-CD1 4.19Å; F22-L26 HydrophobicContact CE2-CG 4.44Å; F22-L26 HydrophobicContact CZ-CD1 3.42Å; F22-L26 VanDerWaalsContact CZ-CD1 3.42Å; F22-L26 HydrophobicContact CZ-CG 4.13Å; F22-L26 PolarHBondContact O-N 3.1Å; K23-L26 PolarHBondContact O-N 2.78Å; L26-R28 VanDerWaalsContact C-N 3.27Å; L26-R28 PolarHBondContact O-N 3.08Å; L26-R29 PolarHBondContact O-N 3.43Å; L26-R29 VanDerWaalsContact O-N 3.12Å; L26-F30 HydrophobicContact CD2-CD2 4.28Å; L26-F30 HydrophobicContact CD2-CE2 4.26Å; L26-F30 PolarHBondContact O-N 2.84Å; L26-L34 HydrophobicContact CB-CD1 4.11Å; L26-L34 HydrophobicContact CD2-CD1 4.18Å; L26-I36 HydrophobicContact CB-CD1 3.58Å; L26-I36 HydrophobicContact CD1-CD1 4.03Å; L26-I36 HydrophobicContact CG-CD1 4.49Å; L26-I80 HydrophobicContact CD1-CD1 4.23Å; L26-I80 HydrophobicContact CD2-CD1 3.56Å
27E91.2Very high91.6Very high78 Ų7868.4 Ų68.436%0.36436%0.356SS..Hα-helixtrans-60.8-37.6178.2-70.6-178.4116.800111.7K23 Q24 F30 P31 I36K23-E27 HydrophobicContact CG-CG 4.48Å; K23-E27 WeakPolarHBondContact CG-OE2 3.12Å; K23-E27 IonicContact NZ-OE1 3.02Å; K23-E27 PolarHBondContact NZ-OE1 2.72Å; K23-E27 IonicContact NZ-OE2 2.76Å; K23-E27 PolarHBondContact NZ-OE2 3.13Å; K23-E27 WeakPolarHBondContact O-CG 3.33Å; K23-E27 PolarHBondContact O-N 2.85Å; Q24-E27 PolarHBondContact O-N 3.11Å; E27-F30 CarbonylContact O-C 3.54Å; E27-P31 WeakPolarHBondContact O-CA 3.47Å; E27-I36 HydrophobicContact CG-CD1 3.81Å
28R92.1Very high91.7Very high190 Ų19065.8 Ų65.872%0.71735%0.345SS*.Hα-helixtrans-66.5-37.7174.7-74.8178.5-172.7-156.84.8112.9Q24 L26Q24-R28 WeakPolarHBondContact O-CB 3.48Å; Q24-R28 VanDerWaalsContact O-CG 3.25Å; Q24-R28 WeakPolarHBondContact O-CG 3.5Å; Q24-R28 PolarHBondContact O-N 3.16Å; L26-R28 VanDerWaalsContact C-N 3.27Å; L26-R28 PolarHBondContact O-N 3.08Å
29R90.9Very high91.8Very high106 Ų10666.1 Ų66.140%0.435%0.348SS..Hα-helixtrans-77.7-28.2178.9-74.3-168.9-179.5-166.6-2.9113Q25 L26 C77Q25-R29 WeakPolarHBondContact O-CG 3.48Å; Q25-R29 PolarHBondContact O-N 2.88Å; Q25-R29 VanDerWaalsContact O-N 3.13Å; L26-R29 PolarHBondContact O-N 3.43Å; L26-R29 VanDerWaalsContact O-N 3.12Å; R29-C77 WeakPolarHBondContact CD-SG 3.42Å; R29-C77 PolarHBondContact NH1-SG 3.37Å
30F91.4Very high91.7Very high11 Ų1166.6 Ų66.65%0.04836%0.36CS..SBendtrans-132.764.6-175.9-60.4-78.9000112.1L26 E27 G32 K33 L34 C77 I80 R81 L84L26-F30 HydrophobicContact CD2-CD2 4.28Å; L26-F30 HydrophobicContact CD2-CE2 4.26Å; L26-F30 PolarHBondContact O-N 2.84Å; E27-F30 CarbonylContact O-C 3.54Å; F30-G32 PolarHBondContact O-N 2.86Å; F30-K33 HydrophobicContact CB-CB 4.23Å; F30-K33 PolarHBondContact O-N 2.9Å; F30-L34 HydrophobicContact CB-CD1 3.55Å; F30-L34 HydrophobicContact CB-CG 3.61Å; F30-L34 HydrophobicContact CD2-CD1 3.48Å; F30-L34 VanDerWaalsContact CD2-CD1 3.48Å; F30-L34 HydrophobicContact CD2-CG 4.34Å; F30-L34 HydrophobicContact CE2-CD1 4.35Å; F30-L34 HydrophobicContact CG-CD1 3.76Å; F30-L34 HydrophobicContact CG-CG 4.13Å; F30-C77 HydrophobicContact CE2-CB 4.2Å; F30-C77 WeakPolarHBondContact CE2-SG 3.49Å; F30-C77 VanDerWaalsContact CZ-O 3.32Å; F30-C77 WeakPolarHBondContact CZ-O 3.27Å; F30-C77 WeakPolarHBondContact CZ-SG 3.49Å; F30-I80 HydrophobicContact CD2-CG2 4.26Å; F30-I80 HydrophobicContact CE1-CG2 4.27Å; F30-I80 HydrophobicContact CE2-CB 4.27Å; F30-I80 HydrophobicContact CE2-CG2 3.9Å; F30-I80 HydrophobicContact CZ-CB 4.25Å; F30-I80 HydrophobicContact CZ-CG2 3.92Å; F30-R81 HydrophobicContact CE1-CB 4.11Å; F30-R81 HydrophobicContact CZ-CB 4.12Å; F30-L84 HydrophobicContact CD1-CD1 3.35Å; F30-L84 HydrophobicContact CE1-CD1 3.58Å; F30-L84 HydrophobicContact CG-CD1 4.16Å
31P89.1Confident91.6Very high99 Ų9963.3 Ų63.364%0.64334%0.343SS*.THydrogen-bonded Turntrans-62.9122.7-175.725.9-34.1000110.9E27 K33E27-P31 WeakPolarHBondContact O-CA 3.47Å; P31-K33 PolarHBondContact O-N 2.92Å
32G88.2Confident91.2Very high76 Ų7666.4 Ų66.478%0.78436%0.361SS*.THydrogen-bonded Turntrans71.16.2178.100000115.6F30F30-G32 PolarHBondContact O-N 2.86Å
33K90.9Very high90.8Very high114 Ų11473.2 Ų73.250%0.49639%0.393SS..THydrogen-bonded Turntrans-105.4-20.8-179.2-65.1-170177.8-170.30113.8T2 L3 F30 P31 L84T2-K33 CarbonylContact C-O 3.4Å; T2-K33 VanDerWaalsContact CA-O 3.31Å; T2-K33 WeakPolarHBondContact CA-O 3.18Å; L3-K33 PolarHBondContact N-O 3.07Å; F30-K33 HydrophobicContact CB-CB 4.23Å; F30-K33 PolarHBondContact O-N 2.9Å; P31-K33 PolarHBondContact O-N 2.92Å; K33-L84 HydrophobicContact CB-CD1 4.23Å; K33-L84 HydrophobicContact CB-CD2 3.88Å; K33-L84 HydrophobicContact CD-CD1 4.17Å; K33-L84 HydrophobicContact CD-CD2 4.31Å
34L92Very high90.2Very high18 Ų1875.5 Ų75.59%0.09442%0.415CS..EExtended strand (participates in β ladder)trans-116.8143.4-177.4-58.8179.3000111.9L3 I5 L26 F30 I36 I80 L84L3-L34 HydrophobicContact CB-CD2 3.6Å; L3-L34 WeakPolarHBondContact O-CA 3.48Å; I5-L34 HydrophobicContact CG1-CD2 4.49Å; L26-L34 HydrophobicContact CB-CD1 4.11Å; L26-L34 HydrophobicContact CD2-CD1 4.18Å; F30-L34 HydrophobicContact CB-CD1 3.55Å; F30-L34 HydrophobicContact CB-CG 3.61Å; F30-L34 HydrophobicContact CD2-CD1 3.48Å; F30-L34 VanDerWaalsContact CD2-CD1 3.48Å; F30-L34 HydrophobicContact CD2-CG 4.34Å; F30-L34 HydrophobicContact CE2-CD1 4.35Å; F30-L34 HydrophobicContact CG-CD1 3.76Å; F30-L34 HydrophobicContact CG-CG 4.13Å; L34-I36 HydrophobicContact CB-CG1 4.23Å; L34-I80 HydrophobicContact CD1-CD1 4.29Å; L34-I80 HydrophobicContact CD1-CG2 4.01Å; L34-I80 HydrophobicContact CD2-CG2 3.49Å; L34-I80 VanDerWaalsContact CD2-CG2 3.49Å; L34-I80 HydrophobicContact CG-CG2 4.32Å; L34-L84 HydrophobicContact CD2-CD1 4.3Å
35E92.6Very high89.8Confident90 Ų9073 Ų7342%0.42141%0.406SS..EExtended strand (participates in β ladder)trans-117.1107.3169.2-176167.491.300108.3L3 K4 I5L3-E35 PolarHBondContact O-N 3.18Å; K4-E35 CarbonylContact C-O 3.58Å; K4-E35 VanDerWaalsContact CA-O 3.29Å; K4-E35 WeakPolarHBondContact CA-O 3.4Å; K4-E35 WeakPolarHBondContact CE-OE1 3.41Å; K4-E35 HydrophobicContact CG-CB 4.15Å; K4-E35 IonicContact NZ-OE1 2.7Å; K4-E35 PolarHBondContact NZ-OE1 3.13Å; I5-E35 PolarHBondContact N-O 3.46Å
36I93.3Very high89.5Confident16 Ų1670.3 Ų70.38%0.08240%0.4CS..EExtended strand (participates in β ladder)trans-105.8120.1-171.5-54.1159.9000109.1I5 V7 Y19 K23 L26 E27 L34I5-I36 HydrophobicContact CB-CG1 4.26Å; I5-I36 CarbonylContact O-C 3.58Å; I5-I36 WeakPolarHBondContact O-CA 3.26Å; V7-I36 HydrophobicContact CG2-CG2 4.3Å; Y19-I36 HydrophobicContact CE2-CG2 4.06Å; K23-I36 HydrophobicContact CB-CG2 4.38Å; K23-I36 HydrophobicContact CD-CG2 4.49Å; K23-I36 HydrophobicContact CG-CB 4.05Å; K23-I36 HydrophobicContact CG-CD1 3.9Å; K23-I36 HydrophobicContact CG-CG2 3.97Å; L26-I36 HydrophobicContact CB-CD1 3.58Å; L26-I36 HydrophobicContact CD1-CD1 4.03Å; L26-I36 HydrophobicContact CG-CD1 4.49Å; E27-I36 HydrophobicContact CG-CD1 3.81Å; L34-I36 HydrophobicContact CB-CG1 4.23Å
37S93.6Very high89.4Confident60 Ų6074.5 Ų74.542%0.4242%0.416SS..EExtended strand (participates in β ladder)trans-110.3146172.9-67.20000110.5I5 H6 V7 Y19I5-S37 PolarHBondContact O-N 3.15Å; H6-S37 CarbonylContact C-O 3.5Å; V7-S37 PolarHBondContact N-O 2.98Å; Y19-S37 VanDerWaalsContact OH-C 3.26Å
38G92.9Very high89.4Confident34 Ų3471 Ų7135%0.35140%0.399SS..EExtended strand (participates in β ladder)trans-129.1128.3-17900000110.6V7 Y19V7-G38 CarbonylContact O-C 3.51Å; V7-G38 VanDerWaalsContact O-CA 3.27Å; V7-G38 WeakPolarHBondContact O-CA 3.49Å; Y19-G38 VanDerWaalsContact CZ-CA 3.42Å; Y19-G38 WeakPolarHBondContact OH-CA 3.25Å; Y19-G38 PolarHBondContact OH-N 2.91Å
39E92.2Very high89.5Confident103 Ų10363.2 Ų63.248%0.48137%0.371SS..EExtended strand (participates in β ladder)trans-113.9116.5175.7-173.5176.292.300110V7 I8 Y9V7-E39 PolarHBondContact O-N 3.46Å; I8-E39 WeakPolarHBondContact CA-O 3.31Å; Y9-E39 PolarHBondContact N-O 3.16Å
40G90.8Very high89.6Confident33 Ų3358.2 Ų58.234%0.3435%0.352SS..EExtended strand (participates in β ladder)trans-86.2113174.200000110.6Y9Y9-G40 CarbonylContact O-C 3.54Å; Y9-G40 WeakPolarHBondContact O-CA 3.29Å
41T89Confident89.7Confident13 Ų1361.2 Ų61.28%0.0837%0.367CS..EExtended strand (participates in β ladder)trans-68134.9176.963.50000110.4I8 Y9 G11 Q43 T45 W47I8-T41 HydrophobicContact CG2-CG2 3.52Å; Y9-T41 PolarHBondContact O-N 3.12Å; G11-T41 PolarHBondContact N-O 3.31Å; T41-Q43 PolarHBondContact O-N 3.2Å; T41-Q43 PolarHBondContact OG1-O 3.35Å; T41-T45 HydrophobicContact CG2-CG2 4.47Å; T41-T45 PolarHBondContact OG1-OG1 3.12Å; T41-W47 HydrophobicContact CG2-CE3 4.26Å
42P85Confident89.9Confident127 Ų12757.1 Ų57.183%0.82534%0.34SS*.SBendtrans-68.4-22.2-17826.6-34.2000112.7
43Q83.9Confident90.1Very high148 Ų14857.4 Ų57.469%0.69233%0.326SS*.SBendtrans-94.9156.2179-65.3-178.7-38.600111.7T41 T45T41-Q43 PolarHBondContact O-N 3.2Å; T41-Q43 PolarHBondContact OG1-O 3.35Å; Q43-T45 VanDerWaalsContact C-N 3.28Å; Q43-T45 HydrophobicContact CB-CG2 4.22Å; Q43-T45 PolarHBondContact O-N 2.96Å
44S79.8Confident89.9Confident96 Ų9656.2 Ų56.267%0.67135%0.346SS*.  trans-74.981.4172.4-160.50000110.1C13C13-S44 PolarHBondContact SG-OG 3.22Å; C13-S44 VanDerWaalsContact SG-OG 3.36Å
45T84.1Confident89.8Confident39 Ų3956.8 Ų56.824%0.23936%0.356CS..  trans-89.4-25.9-177.156.60000112.9C10 T41 Q43 W47C10-T45 PolarHBondContact SG-N 3.22Å; T41-T45 HydrophobicContact CG2-CG2 4.47Å; T41-T45 PolarHBondContact OG1-OG1 3.12Å; Q43-T45 VanDerWaalsContact C-N 3.28Å; Q43-T45 HydrophobicContact CB-CG2 4.22Å; Q43-T45 PolarHBondContact O-N 2.96Å; T45-W47 HydrophobicContact CG2-CD2 4.15Å; T45-W47 HydrophobicContact CG2-CE3 4.35Å; T45-W47 HydrophobicContact CG2-CZ2 4.39Å; T45-W47 PolarHBondContact O-N 3.27Å; T45-W47 PolarHBondContact O-NE1 3.33Å; T45-W47 PolarHBondContact OG1-N 3.13Å
46G84.8Confident89.7Confident24 Ų2455.8 Ų55.825%0.24736%0.358CS..  trans71.711.9-170.100000114.4K61G46-K61 WeakPolarHBondContact O-CD 3.2Å
47W89.8Confident89.6Confident90 Ų9059.5 Ų59.534%0.34138%0.377SS..  trans-78.3148.9-175.2-62.3-4.4000113I8 Y9 C10 Y15 T41 T45 E49I8-W47 HydrophobicContact CG2-CE3 4.2Å; Y9-W47 CarbonylContact C-O 3.5Å; Y9-W47 WeakPolarHBondContact CA-O 3.31Å; C10-W47 PolarHBondContact N-O 3.25Å; Y15-W47 WeakPolarHBondContact CD2-O 3.37Å; T41-W47 HydrophobicContact CG2-CE3 4.26Å; T45-W47 HydrophobicContact CG2-CD2 4.15Å; T45-W47 HydrophobicContact CG2-CE3 4.35Å; T45-W47 HydrophobicContact CG2-CZ2 4.39Å; T45-W47 PolarHBondContact O-N 3.27Å; T45-W47 PolarHBondContact O-NE1 3.33Å; T45-W47 PolarHBondContact OG1-N 3.13Å; W47-E49 HydrophobicContact CB-CG 4.41Å
48F91.9Very high89.5Confident4 Ų458.2 Ų58.22%0.01837%0.365CS..EExtended strand (participates in β ladder)trans-153.882.2167.8-161.7-85.5000107V7 I8 Y15 K18 F22 V50 K61 V68V7-F48 HydrophobicContact CG1-CE1 4.29Å; V7-F48 HydrophobicContact CG1-CZ 4.19Å; I8-F48 CarbonylContact O-C 3.56Å; I8-F48 VanDerWaalsContact O-CA 3.23Å; I8-F48 WeakPolarHBondContact O-CA 3.36Å; Y15-F48 HydrophobicContact CD2-CD2 4.34Å; K18-F48 HydrophobicContact CB-CE2 4.32Å; F22-F48 HydrophobicContact CB-CZ 4.33Å; F22-F48 HydrophobicContact CG-CZ 4.44Å; F48-V50 HydrophobicContact CD1-CG2 4.35Å; F48-V50 HydrophobicContact CE1-CG2 4.06Å; F48-K61 HydrophobicContact CB-CB 3.79Å; F48-K61 HydrophobicContact CB-CD 3.99Å; F48-K61 PolarHBondContact O-N 2.91Å; F48-K61 VanDerWaalsContact O-N 3.12Å; F48-V68 HydrophobicContact CD1-CG2 3.99Å; F48-V68 HydrophobicContact CE1-CG2 3.69Å
49E92.7Very high89.5Confident27 Ų2756.9 Ų56.913%0.12635%0.35CS..EExtended strand (participates in β ladder)trans-104.2125.4-174-55.7-64.4107.800108.8V7 I8 W47 L57 H59 S60 K61 K62V7-E49 CarbonylContact C-O 3.51Å; V7-E49 WeakPolarHBondContact CA-O 3.25Å; I8-E49 HydrophobicContact CB-CB 4.27Å; I8-E49 PolarHBondContact N-O 2.55Å; I8-E49 PolarHBondContact O-N 2.91Å; W47-E49 HydrophobicContact CB-CG 4.41Å; E49-L57 HydrophobicContact CB-CD1 4.4Å; E49-H59 CarbonylContact C-O 3.54Å; E49-H59 WeakPolarHBondContact CA-O 3.05Å; E49-S60 WeakPolarHBondContact OE1-CA 3.3Å; E49-S60 PolarHBondContact OE1-OG 2.89Å; E49-S60 WeakPolarHBondContact OE2-CB 3.21Å; E49-S60 PolarHBondContact OE2-OG 2.78Å; E49-K61 PolarHBondContact OE1-N 2.82Å; E49-K62 WeakPolarHBondContact OE1-CB 3.4Å; E49-K62 PolarHBondContact OE1-N 2.7Å
50V93.8Very high89.4Confident0 Ų052.5 Ų52.50%033%0.331CS..EExtended strand (participates in β ladder)trans-111.6117.7175.8-177.10000107.7I5 V7 F22 F48 L58 H59 I76I5-V50 HydrophobicContact CG2-CG1 3.79Å; V7-V50 HydrophobicContact CG1-CG2 4.2Å; V7-V50 HydrophobicContact CG2-CG1 4.33Å; V7-V50 HydrophobicContact CG2-CG2 4.32Å; F22-V50 HydrophobicContact CE1-CG1 4Å; F22-V50 HydrophobicContact CE1-CG2 3.87Å; F22-V50 HydrophobicContact CZ-CB 4.44Å; F22-V50 HydrophobicContact CZ-CG1 3.83Å; F22-V50 HydrophobicContact CZ-CG2 3.77Å; F48-V50 HydrophobicContact CD1-CG2 4.35Å; F48-V50 HydrophobicContact CE1-CG2 4.06Å; V50-L58 HydrophobicContact CB-CB 4.5Å; V50-L58 HydrophobicContact CG1-CB 4.24Å; V50-L58 HydrophobicContact CG1-CD1 4.35Å; V50-L58 WeakPolarHBondContact O-CA 3.39Å; V50-L58 PolarHBondContact O-N 2.83Å; V50-H59 HydrophobicContact CB-CB 3.81Å; V50-H59 HydrophobicContact CG2-CB 3.91Å; V50-H59 PolarHBondContact N-O 2.97Å; V50-H59 PolarHBondContact O-N 3.08Å; V50-H59 VanDerWaalsContact O-N 3.1Å; V50-I76 HydrophobicContact CG1-CG2 4.29Å
51Q93.5Very high89.3Confident75 Ų7552.8 Ų52.835%0.3532%0.323SS..EExtended strand (participates in β ladder)trans-130.3145.8-176.2162.9168.627.800110.6I5 H6 L57I5-Q51 CarbonylContact C-O 3.58Å; I5-Q51 WeakPolarHBondContact CA-O 3.4Å; H6-Q51 PolarHBondContact N-O 2.7Å; H6-Q51 PolarHBondContact O-N 3.21Å; Q51-L57 HydrophobicContact CB-CD1 4.03Å
52V94.1Very high89.2Confident13 Ų1359 Ų598%0.07935%0.348CS..EExtended strand (participates in β ladder)trans-78.7130.3162.4177.30000109.2L3 I5 G54 G55 P56 L58 L83L3-V52 HydrophobicContact CD2-CB 4.27Å; L3-V52 HydrophobicContact CD2-CG1 3.49Å; L3-V52 VanDerWaalsContact CD2-CG1 3.49Å; L3-V52 HydrophobicContact CD2-CG2 3.82Å; I5-V52 HydrophobicContact CD1-CB 4.49Å; I5-V52 HydrophobicContact CD1-CG2 3.72Å; V52-G54 PolarHBondContact O-N 3.41Å; V52-G54 VanDerWaalsContact O-N 3.11Å; V52-G55 CarbonylContact O-C 3.6Å; V52-G55 WeakPolarHBondContact O-CA 3.37Å; V52-G55 PolarHBondContact O-N 3Å; V52-P56 PolarHBondContact N-O 3.12Å; V52-P56 VanDerWaalsContact N-O 3.08Å; V52-L58 HydrophobicContact CG2-CD1 3.79Å; V52-L58 HydrophobicContact CG2-CD2 4.18Å; V52-L58 HydrophobicContact CG2-CG 4Å; V52-L83 HydrophobicContact CG2-CD1 3.8Å
53V91.3Very high89.1Confident82 Ų8259.9 Ų59.950%0.49735%0.346SS..THydrogen-bonded Turntrans-61.2117.3177.3177.60000109.4K4 H6 G55K4-V53 HydrophobicContact CB-CB 3.73Å; K4-V53 HydrophobicContact CB-CG2 3.64Å; K4-V53 PolarHBondContact O-N 3.22Å; H6-V53 HydrophobicContact CB-CG2 3.83Å; V53-G55 PolarHBondContact O-N 3.01Å
54G87.2Confident89Confident88 Ų8856.1 Ų56.191%0.90735%0.347SS*.THydrogen-bonded Turntrans72.912.3-174.800000114.4V52V52-G54 PolarHBondContact O-N 3.41Å; V52-G54 VanDerWaalsContact O-N 3.11Å
55G88.8Confident89.1Confident30 Ų3054.3 Ų54.331%0.30933%0.33SS..SBendtrans-132.7-163.7-17700000113.3V52 V53V52-G55 CarbonylContact O-C 3.6Å; V52-G55 WeakPolarHBondContact O-CA 3.37Å; V52-G55 PolarHBondContact O-N 3Å; V53-G55 PolarHBondContact O-N 3.01Å
56P91.8Very high89.1Confident70 Ų7053.6 Ų53.646%0.45533%0.33SS..  trans-71.7155.2-174.529-34.5000112.9V52 L58 L83V52-P56 PolarHBondContact N-O 3.12Å; V52-P56 VanDerWaalsContact N-O 3.08Å; P56-L58 HydrophobicContact CG-CD2 4.42Å; P56-L83 HydrophobicContact CG-CD1 4.04Å
57L91.5Very high88.9Confident93 Ų9355 Ų5549%0.48733%0.33SS..EExtended strand (participates in β ladder)trans-74.6121.6167.4-170.271.8000108.6E49 Q51E49-L57 HydrophobicContact CB-CD1 4.4Å; Q51-L57 HydrophobicContact CB-CD1 4.03Å
58L91.5Very high88.7Confident33 Ų3352.3 Ų52.317%0.17332%0.323CS..EExtended strand (participates in β ladder)trans-92.2-32.9-177.5-58-178.4000112.4I5 V50 V52 P56 I76 A79 I80I5-L58 HydrophobicContact CD1-CD1 4.02Å; V50-L58 HydrophobicContact CB-CB 4.5Å; V50-L58 HydrophobicContact CG1-CB 4.24Å; V50-L58 HydrophobicContact CG1-CD1 4.35Å; V50-L58 WeakPolarHBondContact O-CA 3.39Å; V50-L58 PolarHBondContact O-N 2.83Å; V52-L58 HydrophobicContact CG2-CD1 3.79Å; V52-L58 HydrophobicContact CG2-CD2 4.18Å; V52-L58 HydrophobicContact CG2-CG 4Å; P56-L58 HydrophobicContact CG-CD2 4.42Å; L58-I76 HydrophobicContact CB-CG1 4.34Å; L58-I76 HydrophobicContact CB-CG2 4.17Å; L58-I76 HydrophobicContact CD1-CG2 3.9Å; L58-A79 HydrophobicContact CD2-CB 3.72Å; L58-I80 HydrophobicContact CD1-CD1 3.98Å; L58-I80 HydrophobicContact CD1-CG1 3.57Å
59H91.4Very high88.5Confident6 Ų656.4 Ų56.43%0.02835%0.345CS..EExtended strand (participates in β ladder)trans-150139.8179.7-169.378.1000110.2E49 V50 D65 G66 I76E49-H59 CarbonylContact C-O 3.54Å; E49-H59 WeakPolarHBondContact CA-O 3.05Å; V50-H59 HydrophobicContact CB-CB 3.81Å; V50-H59 HydrophobicContact CG2-CB 3.91Å; V50-H59 PolarHBondContact N-O 2.97Å; V50-H59 PolarHBondContact O-N 3.08Å; V50-H59 VanDerWaalsContact O-N 3.1Å; H59-D65 VanDerWaalsContact CE1-CB 3.48Å; H59-D65 WeakPolarHBondContact CE1-CB 3.49Å; H59-D65 IonicContact CE1-OD1 3.49Å; H59-D65 PolarHBondContact CE1-OD1 3.2Å; H59-D65 IonicContact ND1-OD1 2.72Å; H59-D65 PolarHBondContact ND1-OD1 2.8Å; H59-G66 PolarHBondContact NE2-O 3.02Å; H59-I76 HydrophobicContact CB-CD1 3.68Å; H59-I76 HydrophobicContact CB-CG1 4.07Å
60S91Very high88.1Confident11 Ų1159.7 Ų59.78%0.07737%0.371CS..EExtended strand (participates in β ladder)trans-140.4104.7178.2-176.30000110.8E49 K62 N63 D65E49-S60 WeakPolarHBondContact OE1-CA 3.3Å; E49-S60 PolarHBondContact OE1-OG 2.89Å; E49-S60 WeakPolarHBondContact OE2-CB 3.21Å; E49-S60 PolarHBondContact OE2-OG 2.78Å; S60-K62 PolarHBondContact O-N 3.48Å; S60-N63 PolarHBondContact O-N 3.47Å; S60-N63 WeakPolarHBondContact OG-CB 3.39Å; S60-N63 PolarHBondContact OG-N 3.24Å; S60-N63 VanDerWaalsContact OG-N 3.13Å; S60-D65 WeakPolarHBondContact O-CB 3.46Å; S60-D65 PolarHBondContact O-N 3.02Å
61K88.5Confident87.9Confident40 Ų4066 Ų6617%0.17441%0.405CS..Iπ-helixtrans-63.8-34.3171.1-178.2168.7177.5-1730111.1Y15 G46 F48 E49 N63 G64 G66 F67Y15-K61 PolarHBondContact OH-NZ 2.81Å; G46-K61 WeakPolarHBondContact O-CD 3.2Å; F48-K61 HydrophobicContact CB-CB 3.79Å; F48-K61 HydrophobicContact CB-CD 3.99Å; F48-K61 PolarHBondContact O-N 2.91Å; F48-K61 VanDerWaalsContact O-N 3.12Å; E49-K61 PolarHBondContact OE1-N 2.82Å; K61-N63 PolarHBondContact O-N 3.08Å; K61-G64 PolarHBondContact O-N 3.33Å; K61-G64 VanDerWaalsContact O-N 3.12Å; K61-G66 VanDerWaalsContact CB-O 3.3Å; K61-G66 WeakPolarHBondContact CB-O 3.21Å; K61-G66 WeakPolarHBondContact CG-O 3.43Å; K61-F67 HydrophobicContact CD-CD1 4.36Å; K61-F67 HydrophobicContact CD-CE1 4.36Å
62K86.2Confident87.7Confident143 Ų14364.8 Ų64.862%0.62240%0.398SS*.Iπ-helixtrans-59.6-35.7177.1-176.4-178.3175.8-1770111.6E49 S60 G64E49-K62 WeakPolarHBondContact OE1-CB 3.4Å; E49-K62 PolarHBondContact OE1-N 2.7Å; S60-K62 PolarHBondContact O-N 3.48Å; K62-G64 PolarHBondContact O-N 3.45Å
63N83.3Confident87.5Confident145 Ų14564.4 Ų64.478%0.77540%0.396SS*.Iπ-helixtrans-82.713.3179.9-148.242.5000114.1S60 K61S60-N63 PolarHBondContact O-N 3.47Å; S60-N63 WeakPolarHBondContact OG-CB 3.39Å; S60-N63 PolarHBondContact OG-N 3.24Å; S60-N63 VanDerWaalsContact OG-N 3.13Å; K61-N63 PolarHBondContact O-N 3.08Å
64G82Confident87.5Confident69 Ų6965.7 Ų65.771%0.71140%0.397SS*.Iπ-helixtrans89.74.2177.500000114.9K61 K62 G66K61-G64 PolarHBondContact O-N 3.33Å; K61-G64 VanDerWaalsContact O-N 3.12Å; K62-G64 PolarHBondContact O-N 3.45Å; G64-G66 PolarHBondContact O-N 2.76Å
65D81.8Confident87.7Confident58 Ų5870.4 Ų70.431%0.3139%0.387SS..Iπ-helixtrans-73.5-8.8179.1-137-69.5000112.2H59 S60 K72H59-D65 VanDerWaalsContact CE1-CB 3.48Å; H59-D65 WeakPolarHBondContact CE1-CB 3.49Å; H59-D65 IonicContact CE1-OD1 3.49Å; H59-D65 PolarHBondContact CE1-OD1 3.2Å; H59-D65 IonicContact ND1-OD1 2.72Å; H59-D65 PolarHBondContact ND1-OD1 2.8Å; S60-D65 WeakPolarHBondContact O-CB 3.46Å; S60-D65 PolarHBondContact O-N 3.02Å; D65-K72 WeakPolarHBondContact O-CE 3.29Å; D65-K72 PolarHBondContact O-NZ 3.48Å; D65-K72 WeakPolarHBondContact OD1-CE 3.46Å
66G84.5Confident87.8Confident24 Ų2469 Ų6925%0.24737%0.373CS..  trans66.5-154.5177.900000112.4H59 K61 G64H59-G66 PolarHBondContact NE2-O 3.02Å; K61-G66 VanDerWaalsContact CB-O 3.3Å; K61-G66 WeakPolarHBondContact CB-O 3.21Å; K61-G66 WeakPolarHBondContact CG-O 3.43Å; G64-G66 PolarHBondContact O-N 2.76Å
67F80.9Confident87.8Confident55 Ų5566.2 Ų66.224%0.24135%0.354CS..SBendtrans-77.9157.5174.7-75.7-74.8000111.6Y15 K18 K61 D69 K72Y15-F67 HydrophobicContact CD1-CE1 4.05Å; Y15-F67 HydrophobicContact CD1-CZ 4.03Å; Y15-F67 HydrophobicContact CD2-CE1 4.06Å; Y15-F67 HydrophobicContact CD2-CZ 4.47Å; Y15-F67 AromaticContact CE1-CE1 3.91Å; Y15-F67 HydrophobicContact CE1-CE1 3.91Å; Y15-F67 AromaticContact CE1-CZ 3.45Å; Y15-F67 HydrophobicContact CE1-CZ 3.45Å; Y15-F67 VanDerWaalsContact CE1-CZ 3.45Å; Y15-F67 AromaticContact CE2-CE1 3.87Å; Y15-F67 HydrophobicContact CE2-CE1 3.87Å; Y15-F67 AromaticContact CE2-CZ 3.92Å; Y15-F67 HydrophobicContact CE2-CZ 3.92Å; Y15-F67 HydrophobicContact CG-CE1 4.16Å; Y15-F67 AromaticContact CZ-CE1 3.81Å; Y15-F67 AromaticContact CZ-CZ 3.39Å; K18-F67 HydrophobicContact CD-CD1 3.56Å; K18-F67 HydrophobicContact CD-CE1 3.38Å; K18-F67 HydrophobicContact CD-CG 4.37Å; K18-F67 HydrophobicContact CD-CZ 4.04Å; K18-F67 VanDerWaalsContact NZ-CE1 3.31Å; K18-F67 VanDerWaalsContact NZ-CE2 3.25Å; K61-F67 HydrophobicContact CD-CD1 4.36Å; K61-F67 HydrophobicContact CD-CE1 4.36Å; F67-D69 PolarHBondContact O-N 3.43Å; F67-D69 VanDerWaalsContact O-N 3.08Å; F67-K72 WeakPolarHBondContact O-CD 3.39Å; F67-K72 PolarHBondContact O-NZ 3.2Å; F67-K72 VanDerWaalsContact O-NZ 3.13Å
68V84.9Confident87.9Confident33 Ų3366.9 Ų66.920%0.236%0.358CS..  trans-71.9101.2174.6-176.60000109.2F22 F48 K72 L73 I76F22-V68 HydrophobicContact CD2-CB 4.34Å; F22-V68 HydrophobicContact CD2-CG1 3.96Å; F22-V68 HydrophobicContact CD2-CG2 4.32Å; F22-V68 HydrophobicContact CE2-CG1 3.96Å; F22-V68 HydrophobicContact CE2-CG2 4.27Å; F48-V68 HydrophobicContact CD1-CG2 3.99Å; F48-V68 HydrophobicContact CE1-CG2 3.69Å; V68-K72 HydrophobicContact CG1-CB 4.21Å; V68-L73 HydrophobicContact CG1-CB 3.82Å; V68-L73 HydrophobicContact CG1-CD1 4.09Å; V68-I76 HydrophobicContact CG1-CD1 3.91Å; V68-I76 HydrophobicContact CG2-CD1 3.97Å
69D87Confident87.9Confident90 Ų9067 Ų6748%0.48136%0.364SS..  trans-85173.1167.7-52.8-71.4000110.6F67 N71 K72 L73F67-D69 PolarHBondContact O-N 3.43Å; F67-D69 VanDerWaalsContact O-N 3.08Å; D69-N71 VanDerWaalsContact C-N 3.31Å; D69-N71 PolarHBondContact O-N 2.94Å; D69-K72 HydrophobicContact CB-CD 4.31Å; D69-K72 PolarHBondContact O-N 2.88Å; D69-K72 WeakPolarHBondContact OD2-CE 3.41Å; D69-K72 IonicContact OD2-NZ 3.1Å; D69-K72 PolarHBondContact OD2-NZ 3.46Å; D69-L73 PolarHBondContact O-N 2.82Å
70S86Confident87.9Confident96 Ų9666.7 Ų66.767%0.67136%0.363SS*.Hα-helixtrans-52.6-44.4179.6-52.60000113.3K72 L73 E74S70-K72 PolarHBondContact O-N 2.82Å; S70-L73 WeakPolarHBondContact O-CB 3.45Å; S70-L73 PolarHBondContact O-N 2.85Å; S70-E74 WeakPolarHBondContact O-CG 3.37Å; S70-E74 PolarHBondContact O-N 3.03Å
71N88.2Confident87.9Confident132 Ų13274.1 Ų74.171%0.70639%0.389SS*.Hα-helixtrans-63.2-39.6177.5-85.5-51.9000112.9D69 E74 R75D69-N71 VanDerWaalsContact C-N 3.31Å; D69-N71 PolarHBondContact O-N 2.94Å; N71-E74 PolarHBondContact O-N 3.28Å; N71-R75 PolarHBondContact O-N 3.45Å; N71-R75 VanDerWaalsContact O-N 3.11Å
72K89.4Confident87.9Confident49 Ų4979 Ų7921%0.21342%0.417CS..Hα-helixtrans-73-38.6179.8-69.4155.2-179.4168.30110.8D65 F67 V68 D69 S70 E74 R75 I76D65-K72 WeakPolarHBondContact O-CE 3.29Å; D65-K72 PolarHBondContact O-NZ 3.48Å; D65-K72 WeakPolarHBondContact OD1-CE 3.46Å; F67-K72 WeakPolarHBondContact O-CD 3.39Å; F67-K72 PolarHBondContact O-NZ 3.2Å; F67-K72 VanDerWaalsContact O-NZ 3.13Å; V68-K72 HydrophobicContact CG1-CB 4.21Å; D69-K72 HydrophobicContact CB-CD 4.31Å; D69-K72 PolarHBondContact O-N 2.88Å; D69-K72 WeakPolarHBondContact OD2-CE 3.41Å; D69-K72 IonicContact OD2-NZ 3.1Å; D69-K72 PolarHBondContact OD2-NZ 3.46Å; S70-K72 PolarHBondContact O-N 2.82Å; K72-E74 VanDerWaalsContact C-N 3.26Å; K72-E74 PolarHBondContact O-N 2.82Å; K72-R75 PolarHBondContact O-N 2.92Å; K72-R75 VanDerWaalsContact O-N 3.16Å; K72-I76 VanDerWaalsContact O-CG1 3.25Å; K72-I76 WeakPolarHBondContact O-CG1 3.34Å; K72-I76 PolarHBondContact O-N 3.43Å
73L90.1Very high88Confident5 Ų575.9 Ų75.93%0.02641%0.407CS..Hα-helixtrans-57.2-42.4172.5-169.4111000110.9F22 Q25 V68 D69 S70 I76 C77F22-L73 HydrophobicContact CD2-CD1 3.74Å; F22-L73 HydrophobicContact CE2-CD1 3.99Å; Q25-L73 HydrophobicContact CB-CD1 4.02Å; Q25-L73 HydrophobicContact CB-CD2 4.4Å; V68-L73 HydrophobicContact CG1-CB 3.82Å; V68-L73 HydrophobicContact CG1-CD1 4.09Å; D69-L73 PolarHBondContact O-N 2.82Å; S70-L73 WeakPolarHBondContact O-CB 3.45Å; S70-L73 PolarHBondContact O-N 2.85Å; L73-I76 PolarHBondContact O-N 2.97Å; L73-C77 WeakPolarHBondContact O-CB 3.41Å; L73-C77 PolarHBondContact O-N 2.92Å
74E91.3Very high88Confident110 Ų11073.5 Ų73.551%0.51439%0.393SS..Hα-helixtrans-64.6-42.5174.7-69.7-156.29000113S70 N71 K72 I76 C77 N78S70-E74 WeakPolarHBondContact O-CG 3.37Å; S70-E74 PolarHBondContact O-N 3.03Å; N71-E74 PolarHBondContact O-N 3.28Å; K72-E74 VanDerWaalsContact C-N 3.26Å; K72-E74 PolarHBondContact O-N 2.82Å; E74-I76 PolarHBondContact O-N 2.92Å; E74-C77 WeakPolarHBondContact O-CB 3.23Å; E74-C77 PolarHBondContact O-N 3Å; E74-N78 WeakPolarHBondContact O-CB 3.41Å; E74-N78 PolarHBondContact O-N 3.48Å
75R91.7Very high88.3Confident186 Ų18673.7 Ų73.770%0.70238%0.378SS*.Hα-helixtrans-58.3-48173.6-86.9-178.775178.62.2112.3N71 K72 C77 N78 A79N71-R75 PolarHBondContact O-N 3.45Å; N71-R75 VanDerWaalsContact O-N 3.11Å; K72-R75 PolarHBondContact O-N 2.92Å; K72-R75 VanDerWaalsContact O-N 3.16Å; R75-C77 VanDerWaalsContact C-N 3.33Å; R75-C77 PolarHBondContact O-N 2.91Å; R75-N78 PolarHBondContact O-N 3.29Å; R75-A79 PolarHBondContact O-N 2.86Å
76I91.6Very high88.6Confident2 Ų274.5 Ų74.51%0.0138%0.381CS..Hα-helixtrans-60.5-47178-64.4162.4000109.7F22 V50 L58 H59 V68 K72 L73 E74 N78 A79 I80F22-I76 HydrophobicContact CE2-CD1 3.84Å; F22-I76 HydrophobicContact CE2-CG2 4.5Å; F22-I76 HydrophobicContact CZ-CD1 4.13Å; F22-I76 HydrophobicContact CZ-CG2 4.12Å; V50-I76 HydrophobicContact CG1-CG2 4.29Å; L58-I76 HydrophobicContact CB-CG1 4.34Å; L58-I76 HydrophobicContact CB-CG2 4.17Å; L58-I76 HydrophobicContact CD1-CG2 3.9Å; H59-I76 HydrophobicContact CB-CD1 3.68Å; H59-I76 HydrophobicContact CB-CG1 4.07Å; V68-I76 HydrophobicContact CG1-CD1 3.91Å; V68-I76 HydrophobicContact CG2-CD1 3.97Å; K72-I76 VanDerWaalsContact O-CG1 3.25Å; K72-I76 WeakPolarHBondContact O-CG1 3.34Å; K72-I76 PolarHBondContact O-N 3.43Å; L73-I76 PolarHBondContact O-N 2.97Å; E74-I76 PolarHBondContact O-N 2.92Å; I76-N78 VanDerWaalsContact C-N 3.3Å; I76-N78 PolarHBondContact O-N 3.47Å; I76-A79 PolarHBondContact O-N 2.99Å; I76-I80 HydrophobicContact CG2-CD1 3.78Å; I76-I80 HydrophobicContact CG2-CG1 4.42Å; I76-I80 WeakPolarHBondContact O-CB 3.36Å; I76-I80 VanDerWaalsContact O-CG1 3.26Å; I76-I80 WeakPolarHBondContact O-CG1 3.43Å; I76-I80 PolarHBondContact O-N 3.15Å
77C91.2Very high88.8Confident10 Ų1077.3 Ų77.37%0.06839%0.389CS..Hα-helixtrans-59.8-40.7177.7-175.50000111.8R29 F30 L73 E74 R75 I80 R81R29-C77 WeakPolarHBondContact CD-SG 3.42Å; R29-C77 PolarHBondContact NH1-SG 3.37Å; F30-C77 HydrophobicContact CE2-CB 4.2Å; F30-C77 WeakPolarHBondContact CE2-SG 3.49Å; F30-C77 VanDerWaalsContact CZ-O 3.32Å; F30-C77 WeakPolarHBondContact CZ-O 3.27Å; F30-C77 WeakPolarHBondContact CZ-SG 3.49Å; L73-C77 WeakPolarHBondContact O-CB 3.41Å; L73-C77 PolarHBondContact O-N 2.92Å; E74-C77 WeakPolarHBondContact O-CB 3.23Å; E74-C77 PolarHBondContact O-N 3Å; R75-C77 VanDerWaalsContact C-N 3.33Å; R75-C77 PolarHBondContact O-N 2.91Å; C77-I80 PolarHBondContact O-N 3.19Å; C77-R81 WeakPolarHBondContact O-CB 3.05Å; C77-R81 PolarHBondContact O-N 2.04Å
78N93.3Very high89.3Confident107 Ų10778.6 Ų78.657%0.57240%0.397SS*.Hα-helixtrans-69-42.1179.5-152.322.1000111.3E74 R75 I76 I80 R81 D82E74-N78 WeakPolarHBondContact O-CB 3.41Å; E74-N78 PolarHBondContact O-N 3.48Å; R75-N78 PolarHBondContact O-N 3.29Å; I76-N78 VanDerWaalsContact C-N 3.3Å; I76-N78 PolarHBondContact O-N 3.47Å; N78-I80 VanDerWaalsContact C-N 3.34Å; N78-I80 PolarHBondContact O-N 3.25Å; N78-R81 WeakPolarHBondContact O-CB 3.43Å; N78-R81 PolarHBondContact O-N 3.28Å; N78-R81 VanDerWaalsContact O-N 3.15Å; N78-D82 PolarHBondContact O-N 3.45Å
79A91.7Very high89.6Confident36 Ų3681.5 Ų81.530%0.29841%0.41SS..Hα-helixtrans-62.5-39.617400000112.3L58 R75 I76 R81 D82 L83L58-A79 HydrophobicContact CD2-CB 3.72Å; R75-A79 PolarHBondContact O-N 2.86Å; I76-A79 PolarHBondContact O-N 2.99Å; A79-R81 VanDerWaalsContact C-N 3.33Å; A79-D82 PolarHBondContact O-N 3.02Å; A79-L83 VanDerWaalsContact O-CG 3.31Å; A79-L83 WeakPolarHBondContact O-CG 3.35Å; A79-L83 PolarHBondContact O-N 3.27Å; A79-L83 VanDerWaalsContact O-N 3.16Å
80I91.1Very high89.8Confident0 Ų080.9 Ų80.90%041%0.405CS..Hα-helixtrans-64-39.9173.5-70.9170.2000111.1I5 L26 F30 L34 L58 I76 C77 N78 D82 L83 L84I5-I80 HydrophobicContact CD1-CD1 3.97Å; I5-I80 HydrophobicContact CD1-CG1 4.04Å; I5-I80 HydrophobicContact CG1-CD1 4.3Å; L26-I80 HydrophobicContact CD1-CD1 4.23Å; L26-I80 HydrophobicContact CD2-CD1 3.56Å; F30-I80 HydrophobicContact CD2-CG2 4.26Å; F30-I80 HydrophobicContact CE1-CG2 4.27Å; F30-I80 HydrophobicContact CE2-CB 4.27Å; F30-I80 HydrophobicContact CE2-CG2 3.9Å; F30-I80 HydrophobicContact CZ-CB 4.25Å; F30-I80 HydrophobicContact CZ-CG2 3.92Å; L34-I80 HydrophobicContact CD1-CD1 4.29Å; L34-I80 HydrophobicContact CD1-CG2 4.01Å; L34-I80 HydrophobicContact CD2-CG2 3.49Å; L34-I80 VanDerWaalsContact CD2-CG2 3.49Å; L34-I80 HydrophobicContact CG-CG2 4.32Å; L58-I80 HydrophobicContact CD1-CD1 3.98Å; L58-I80 HydrophobicContact CD1-CG1 3.57Å; I76-I80 HydrophobicContact CG2-CD1 3.78Å; I76-I80 HydrophobicContact CG2-CG1 4.42Å; I76-I80 WeakPolarHBondContact O-CB 3.36Å; I76-I80 VanDerWaalsContact O-CG1 3.26Å; I76-I80 WeakPolarHBondContact O-CG1 3.43Å; I76-I80 PolarHBondContact O-N 3.15Å; C77-I80 PolarHBondContact O-N 3.19Å; N78-I80 VanDerWaalsContact C-N 3.34Å; N78-I80 PolarHBondContact O-N 3.25Å; I80-D82 VanDerWaalsContact C-N 3.31Å; I80-D82 PolarHBondContact O-N 3.36Å; I80-L83 PolarHBondContact O-N 3.2Å; I80-L84 HydrophobicContact CG2-CD1 3.84Å; I80-L84 HydrophobicContact CG2-CG 4.28Å; I80-L84 WeakPolarHBondContact O-CB 3.46Å; I80-L84 WeakPolarHBondContact O-CG 3.09Å; I80-L84 PolarHBondContact O-N 3.36Å
81R90.4Very high90Very high166 Ų16679.9 Ų79.963%0.62639%0.386SS*.Hα-helixtrans-65.8-34.9178.6-176.7179.5-89.5173-7.9112F30 C77 N78 A79 L83F30-R81 HydrophobicContact CE1-CB 4.11Å; F30-R81 HydrophobicContact CZ-CB 4.12Å; C77-R81 WeakPolarHBondContact O-CB 3.05Å; C77-R81 PolarHBondContact O-N 2.04Å; N78-R81 WeakPolarHBondContact O-CB 3.43Å; N78-R81 PolarHBondContact O-N 3.28Å; N78-R81 VanDerWaalsContact O-N 3.15Å; A79-R81 VanDerWaalsContact C-N 3.33Å; R81-L83 VanDerWaalsContact C-N 3.33Å
82D90Very high90.2Very high143 Ų14375.8 Ų75.877%0.76536%0.361SS*.Hα-helixtrans-69.6-31.3175.4-166.5-109000112.4N78 A79 I80N78-D82 PolarHBondContact O-N 3.45Å; A79-D82 PolarHBondContact O-N 3.02Å; I80-D82 VanDerWaalsContact C-N 3.31Å; I80-D82 PolarHBondContact O-N 3.36Å
83L86.8Confident90.2Very high77 Ų7778.1 Ų78.140%0.40337%0.373SS..Hα-helixtrans-86-13.6178.4-67.5167.7000114.3L3 V52 P56 A79 I80 R81L3-L83 VanDerWaalsContact CD1-C 3.42Å; L3-L83 HydrophobicContact CD1-CB 3.6Å; L3-L83 VanDerWaalsContact CD1-O 3.22Å; L3-L83 WeakPolarHBondContact CD1-O 3.33Å; V52-L83 HydrophobicContact CG2-CD1 3.8Å; P56-L83 HydrophobicContact CG-CD1 4.04Å; A79-L83 VanDerWaalsContact O-CG 3.31Å; A79-L83 WeakPolarHBondContact O-CG 3.35Å; A79-L83 PolarHBondContact O-N 3.27Å; A79-L83 VanDerWaalsContact O-N 3.16Å; I80-L83 PolarHBondContact O-N 3.2Å; R81-L83 VanDerWaalsContact C-N 3.33Å
84L83.6Confident90.3Very high95 Ų9584.7 Ų84.750%0.49741%0.405SS..  trans-85.10-178-94.1170.8000112.6L3 F30 K33 L34 I80L3-L84 HydrophobicContact CB-CD2 4.14Å; L3-L84 HydrophobicContact CD1-CB 4.39Å; L3-L84 HydrophobicContact CD1-CD2 4.04Å; L3-L84 HydrophobicContact CD1-CG 3.79Å; F30-L84 HydrophobicContact CD1-CD1 3.35Å; F30-L84 HydrophobicContact CE1-CD1 3.58Å; F30-L84 HydrophobicContact CG-CD1 4.16Å; K33-L84 HydrophobicContact CB-CD1 4.23Å; K33-L84 HydrophobicContact CB-CD2 3.88Å; K33-L84 HydrophobicContact CD-CD1 4.17Å; K33-L84 HydrophobicContact CD-CD2 4.31Å; L34-L84 HydrophobicContact CD2-CD1 4.3Å; I80-L84 HydrophobicContact CG2-CD1 3.84Å; I80-L84 HydrophobicContact CG2-CG 4.28Å; I80-L84 WeakPolarHBondContact O-CB 3.46Å; I80-L84 WeakPolarHBondContact O-CG 3.09Å; I80-L84 PolarHBondContact O-N 3.36Å

Retrieved 84 of 84 residues in 30.5 ms (Link to these results)

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