G4VBP6_SCHMA Loading...

Sm protein F

AlphaFold DB , UniProt , Accession G4VBP6, 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
1M43.4Very low71.2Confident235 Ų235126.7 Ų126.7100%1.15867%0.673SS**  0100.10-89.4175.9154.400107V3M1-V3 PolarHBondContact O-N 2.7Å
2E50.1Low73Confident199 Ų199117.7 Ų117.793%0.9362%0.624SS**  trans-65.5105.9165.1-125.9177.8136.200105.8A4E2-A4 PolarHBondContact O-N 2.73Å
3V55.7Low74.3Confident111 Ų111115.3 Ų115.367%0.67362%0.623SS**  trans-66.898.4167.1178.80000104.1M1 M5M1-V3 PolarHBondContact O-N 2.7Å; V3-M5 PolarHBondContact O-N 2.72Å
4A59.7Low75.6Confident87 Ų87110.5 Ų110.572%0.71961%0.614SS**  trans-49113.5-178.100000108.3E2 N6E2-A4 PolarHBondContact O-N 2.73Å; A4-N6 PolarHBondContact O-N 2.92Å
5M55.8Low76.8Confident132 Ų132103.4 Ų103.465%0.6557%0.574SS**  trans-20.3114.2-177.7-161-175.8-62.700113.4V3 N7V3-M5 PolarHBondContact O-N 2.72Å; M5-N7 WeakPolarHBondContact CG-ND2 3.37Å; M5-N7 PolarHBondContact O-N 3.31Å; M5-N7 PolarHBondContact SD-ND2 3.15Å
6N72.6Confident77.9Confident142 Ų142100.6 Ų100.676%0.75956%0.561SS**  trans-58.818.2-175.3-63.2-12.2000116.2A4A4-N6 PolarHBondContact O-N 2.92Å
7N86.1Confident79Confident84 Ų8498 Ų9845%0.44956%0.562SS.*  trans-90.6129.9-175.4-71.3-30.4000110.3M5 K9 P10 F11M5-N7 WeakPolarHBondContact CG-ND2 3.37Å; M5-N7 PolarHBondContact O-N 3.31Å; M5-N7 PolarHBondContact SD-ND2 3.15Å; N7-K9 VanDerWaalsContact C-N 3.28Å; N7-K9 PolarHBondContact O-N 3.4Å; N7-P10 HydrophobicContact CB-CG 3.8Å; N7-P10 WeakPolarHBondContact O-CD 3.3Å; N7-F11 PolarHBondContact O-N 2.81Å; N7-F11 VanDerWaalsContact O-N 3.11Å
8P88.9Confident79.9Confident78 Ų7897.2 Ų97.251%0.50655%0.551SS.*Hα-helixtrans-58.9-34.5-179.1-28.335000114.5F11 L12 M41P8-F11 PolarHBondContact O-N 3.02Å; P8-L12 WeakPolarHBondContact O-CB 3.41Å; P8-L12 VanDerWaalsContact O-CG 3.27Å; P8-L12 WeakPolarHBondContact O-CG 3.38Å; P8-L12 PolarHBondContact O-N 3.3Å; P8-M41 HydrophobicContact CB-CE 4.15Å
9K88.2Confident80.8Confident167 Ų16794.4 Ų94.473%0.72653%0.533SS*.Hα-helixtrans-68.8-52.1-178.4-72.1-179.4-177.8176.80112.7N7 F11 L12 S13N7-K9 VanDerWaalsContact C-N 3.28Å; N7-K9 PolarHBondContact O-N 3.4Å; K9-F11 VanDerWaalsContact C-N 3.27Å; K9-F11 PolarHBondContact O-N 3.04Å; K9-L12 PolarHBondContact O-N 3.47Å; K9-S13 PolarHBondContact O-N 3.4Å; K9-S13 PolarHBondContact O-OG 3.07Å
10P90.7Very high81.6Confident62 Ų6289.7 Ų89.740%0.40351%0.507SS..Hα-helixtrans-55.1-41.1169.2-3036.3000113.3N7 S13 G14N7-P10 HydrophobicContact CB-CG 3.8Å; N7-P10 WeakPolarHBondContact O-CD 3.3Å; P10-S13 PolarHBondContact O-N 3.49Å; P10-G14 PolarHBondContact O-N 3.15Å
11F91.9Very high82.3Confident97 Ų9786.1 Ų86.143%0.42549%0.486SS..Hα-helixtrans-58.3-54.3176.9174.3-99000111.9N7 P8 K9 S13 G14 I15 I73N7-F11 PolarHBondContact O-N 2.81Å; N7-F11 VanDerWaalsContact O-N 3.11Å; P8-F11 PolarHBondContact O-N 3.02Å; K9-F11 VanDerWaalsContact C-N 3.27Å; K9-F11 PolarHBondContact O-N 3.04Å; F11-S13 VanDerWaalsContact C-N 3.26Å; F11-S13 PolarHBondContact O-N 3.42Å; F11-G14 PolarHBondContact O-N 2.76Å; F11-I15 HydrophobicContact CD1-CD1 4.27Å; F11-I15 HydrophobicContact CE1-CD1 3.62Å; F11-I15 HydrophobicContact CE1-CG1 4.46Å; F11-I15 HydrophobicContact CE2-CG2 4.26Å; F11-I15 HydrophobicContact CZ-CD1 3.97Å; F11-I15 HydrophobicContact CZ-CG2 4.26Å; F11-I15 PolarHBondContact O-N 2.91Å; F11-I15 VanDerWaalsContact O-N 3.15Å; F11-I73 HydrophobicContact CE1-CG2 4.33Å
12L92.4Very high84.9Confident18 Ų1875 Ų759%0.09443%0.431CS..Hα-helixtrans-58.9-39.2178.4-71.5168.5000112P8 K9 G14 I15 T16 V37 M41 I73P8-L12 WeakPolarHBondContact O-CB 3.41Å; P8-L12 VanDerWaalsContact O-CG 3.27Å; P8-L12 WeakPolarHBondContact O-CG 3.38Å; P8-L12 PolarHBondContact O-N 3.3Å; K9-L12 PolarHBondContact O-N 3.47Å; L12-G14 VanDerWaalsContact C-N 3.31Å; L12-G14 PolarHBondContact O-N 3.49Å; L12-I15 HydrophobicContact CD2-CD1 4.37Å; L12-I15 WeakPolarHBondContact O-CG1 3.47Å; L12-I15 PolarHBondContact O-N 2.83Å; L12-T16 PolarHBondContact O-N 2.83Å; L12-T16 VanDerWaalsContact O-N 3.07Å; L12-T16 PolarHBondContact O-OG1 2.98Å; L12-V37 HydrophobicContact CD1-CG1 4.16Å; L12-M41 HydrophobicContact CD1-CE 4.05Å; L12-M41 HydrophobicContact CD1-CG 4.17Å; L12-M41 HydrophobicContact CD1-SD 4.34Å; L12-I73 HydrophobicContact CD2-CD1 4.41Å; L12-I73 HydrophobicContact CD2-CG2 4.03Å
13S90.6Very high87.2Confident87 Ų8767.2 Ų67.261%0.60839%0.394SS*.Hα-helixtrans-64.2-37.8176.6-530000111.7K9 P10 F11 T16K9-S13 PolarHBondContact O-N 3.4Å; K9-S13 PolarHBondContact O-OG 3.07Å; P10-S13 PolarHBondContact O-N 3.49Å; F11-S13 VanDerWaalsContact C-N 3.26Å; F11-S13 PolarHBondContact O-N 3.42Å; S13-T16 PolarHBondContact O-N 2.72Å
14G92Very high89.2Confident48 Ų4862.9 Ų62.950%0.49537%0.367SS..Hα-helixtrans-72.3-25.3179.600000114.7P10 F11 L12 K18P10-G14 PolarHBondContact O-N 3.15Å; F11-G14 PolarHBondContact O-N 2.76Å; L12-G14 VanDerWaalsContact C-N 3.31Å; L12-G14 PolarHBondContact O-N 3.49Å; G14-K18 VanDerWaalsContact O-CE 3.3Å; G14-K18 WeakPolarHBondContact O-CE 3.47Å
15I93.6Very high91Very high4 Ų464.3 Ų64.32%0.02136%0.357CS..Hα-helixtrans-98.7-3.8176.564.7168.8000113.4F11 L12 G17 K18 V20 L34 I73 E75F11-I15 HydrophobicContact CD1-CD1 4.27Å; F11-I15 HydrophobicContact CE1-CD1 3.62Å; F11-I15 HydrophobicContact CE1-CG1 4.46Å; F11-I15 HydrophobicContact CE2-CG2 4.26Å; F11-I15 HydrophobicContact CZ-CD1 3.97Å; F11-I15 HydrophobicContact CZ-CG2 4.26Å; F11-I15 PolarHBondContact O-N 2.91Å; F11-I15 VanDerWaalsContact O-N 3.15Å; L12-I15 HydrophobicContact CD2-CD1 4.37Å; L12-I15 WeakPolarHBondContact O-CG1 3.47Å; L12-I15 PolarHBondContact O-N 2.83Å; I15-G17 PolarHBondContact O-N 3.19Å; I15-K18 WeakPolarHBondContact O-CB 3.43Å; I15-K18 PolarHBondContact O-N 2.94Å; I15-K18 VanDerWaalsContact O-N 3.15Å; I15-V20 HydrophobicContact CB-CG1 4.33Å; I15-V20 HydrophobicContact CD1-CG1 4.08Å; I15-V20 HydrophobicContact CG1-CG1 4.49Å; I15-L34 HydrophobicContact CD1-CD2 4.16Å; I15-L34 HydrophobicContact CG1-CD2 3.88Å; I15-I73 HydrophobicContact CD1-CD1 3.75Å; I15-I73 HydrophobicContact CD1-CG1 3.92Å; I15-E75 HydrophobicContact CG2-CB 4.2Å
16T95.4Very high92.7Very high58 Ų5867.2 Ų67.236%0.35636%0.361SS..THydrogen-bonded Turntrans-66.6133.3174-59.90000109.7L12 S13 K18L12-T16 PolarHBondContact O-N 2.83Å; L12-T16 VanDerWaalsContact O-N 3.07Å; L12-T16 PolarHBondContact O-OG1 2.98Å; S13-T16 PolarHBondContact O-N 2.72Å; T16-K18 VanDerWaalsContact C-N 3.31Å
17G95.3Very high93.7Very high57 Ų5761.7 Ų61.759%0.58834%0.337SS*.THydrogen-bonded Turntrans86.2-5.7-172.900000114.5I15 L34I15-G17 PolarHBondContact O-N 3.19Å; G17-L34 WeakPolarHBondContact CA-O 3.27Å; G17-L34 PolarHBondContact N-O 2.75Å
18K96Very high94.2Very high83 Ų8360.6 Ų60.636%0.36133%0.33SS..SBendtrans-100.7164.3177.7-55-168.6-176.3179.70111.9G14 I15 T16 Y33 L34 E75G14-K18 VanDerWaalsContact O-CE 3.3Å; G14-K18 WeakPolarHBondContact O-CE 3.47Å; I15-K18 WeakPolarHBondContact O-CB 3.43Å; I15-K18 PolarHBondContact O-N 2.94Å; I15-K18 VanDerWaalsContact O-N 3.15Å; T16-K18 VanDerWaalsContact C-N 3.31Å; K18-Y33 WeakPolarHBondContact O-CA 3.32Å; K18-L34 PolarHBondContact O-N 3.36Å; K18-E75 HydrophobicContact CD-CG 4.2Å; K18-E75 WeakPolarHBondContact CD-OE1 3.4Å; K18-E75 WeakPolarHBondContact CE-OE1 3.25Å; K18-E75 IonicContact NZ-OE1 2.68Å; K18-E75 PolarHBondContact NZ-OE1 2.74Å; K18-E75 IonicContact NZ-OE2 2.97Å; K18-E75 PolarHBondContact NZ-OE2 3.03Å
19Q96.5Very high94.6Very high45 Ų4558.3 Ų58.321%0.2131%0.313CS..EExtended strand (participates in β ladder)trans-71.8133.2169-161.8169.915.700109.8K31 G32 Y33 C76 D78Q19-K31 HydrophobicContact CG-CG 4.34Å; Q19-G32 CarbonylContact C-O 3.54Å; Q19-G32 WeakPolarHBondContact CA-O 3.45Å; Q19-Y33 HydrophobicContact CB-CE1 4.36Å; Q19-C76 HydrophobicContact CB-CB 4.02Å; Q19-C76 HydrophobicContact CG-CB 3.9Å; Q19-C76 WeakPolarHBondContact O-CB 3.47Å; Q19-C76 PolarHBondContact O-N 2.89Å; Q19-D78 PolarHBondContact OE1-OD2 2.84Å
20V97.2Very high95Very high0 Ų051.7 Ų51.70%028%0.283CS..EExtended strand (participates in β ladder)trans-131.9157-177.1-61.60000110.3I15 V22 K31 G32 L34 L45 I73 R74I15-V20 HydrophobicContact CB-CG1 4.33Å; I15-V20 HydrophobicContact CD1-CG1 4.08Å; I15-V20 HydrophobicContact CG1-CG1 4.49Å; V20-V22 HydrophobicContact CG2-CG2 4.16Å; V20-K31 WeakPolarHBondContact O-CA 3.27Å; V20-G32 WeakPolarHBondContact CG2-O 3.07Å; V20-G32 PolarHBondContact N-O 2.91Å; V20-G32 PolarHBondContact O-N 3.35Å; V20-G32 VanDerWaalsContact O-N 3.08Å; V20-L34 HydrophobicContact CG1-CB 3.9Å; V20-L34 HydrophobicContact CG1-CD2 4.37Å; V20-L34 HydrophobicContact CG2-CB 3.87Å; V20-L45 HydrophobicContact CG2-CD2 3.61Å; V20-I73 HydrophobicContact CB-CD1 4.25Å; V20-I73 HydrophobicContact CB-CG1 4.17Å; V20-I73 HydrophobicContact CG1-CD1 4.32Å; V20-I73 HydrophobicContact CG1-CG1 4.49Å; V20-I73 HydrophobicContact CG2-CD1 4.19Å; V20-I73 HydrophobicContact CG2-CG1 4.5Å; V20-R74 CarbonylContact C-O 3.5Å; V20-R74 VanDerWaalsContact CA-O 3.23Å; V20-R74 WeakPolarHBondContact CA-O 3.38Å; V20-R74 WeakPolarHBondContact CB-O 3.17Å
21I97.1Very high95.3Very high15 Ų1550.5 Ų50.58%0.07727%0.272CS..EExtended strand (participates in β ladder)trans-113.7125.8167.6-67166.8000108.2Y30 K31 I73 R74 C76I21-Y30 CarbonylContact C-O 3.55Å; I21-Y30 WeakPolarHBondContact CA-O 3.3Å; I21-K31 HydrophobicContact CG1-CB 4.22Å; I21-K31 HydrophobicContact CG1-CD 4.44Å; I21-K31 HydrophobicContact CG1-CG 4.11Å; I21-I73 WeakPolarHBondContact O-CA 3.45Å; I21-R74 HydrophobicContact CB-CG 4Å; I21-R74 VanDerWaalsContact CD1-CZ 3.47Å; I21-R74 PolarHBondContact N-O 2.68Å; I21-R74 PolarHBondContact O-N 2.88Å; I21-C76 HydrophobicContact CD1-CB 4.27Å; I21-C76 VanDerWaalsContact CD1-SG 3.57Å; I21-C76 HydrophobicContact CG1-CB 4.16Å
22V97.8Very high95.6Very high0 Ų045.9 Ų45.90%025%0.252CS..EExtended strand (participates in β ladder)trans-114116.9178.6-176.70000108.7V20 L24 E29 Y30 L43 L45 I65 V70 I73V20-V22 HydrophobicContact CG2-CG2 4.16Å; V22-L24 HydrophobicContact CG1-CD2 4.35Å; V22-E29 WeakPolarHBondContact O-CA 3.46Å; V22-Y30 PolarHBondContact N-O 2.84Å; V22-Y30 PolarHBondContact O-N 2.92Å; V22-L43 HydrophobicContact CB-CD1 4.42Å; V22-L43 HydrophobicContact CG1-CD1 3.78Å; V22-L43 HydrophobicContact CG2-CD1 3.69Å; V22-L45 HydrophobicContact CG2-CD1 4.03Å; V22-L45 HydrophobicContact CG2-CD2 4.44Å; V22-I65 HydrophobicContact CB-CD1 4.11Å; V22-I65 HydrophobicContact CG1-CD1 3.89Å; V22-I65 HydrophobicContact CG2-CD1 4.45Å; V22-V70 HydrophobicContact CG1-CG1 4Å; V22-V70 HydrophobicContact CG1-CG2 4.05Å; V22-I73 HydrophobicContact CG2-CB 4.47Å; V22-I73 HydrophobicContact CG2-CD1 4.15Å; V22-I73 HydrophobicContact CG2-CG1 4.06Å
23K97.6Very high95.8Very high37 Ų3750.2 Ų50.216%0.16127%0.267CS..EExtended strand (participates in β ladder)trans-91.1128.7173.9-174.868.1168.8-173.70109.6G27 E29 L71 Y72K23-G27 WeakPolarHBondContact CE-O 3.31Å; K23-G27 PolarHBondContact NZ-O 2.82Å; K23-E29 HydrophobicContact CB-CG 4.38Å; K23-E29 HydrophobicContact CD-CG 3.21Å; K23-E29 VanDerWaalsContact CD-OE1 3.25Å; K23-E29 WeakPolarHBondContact CD-OE1 3.37Å; K23-E29 WeakPolarHBondContact CE-OE1 3.48Å; K23-E29 HydrophobicContact CG-CG 4.41Å; K23-E29 IonicContact NZ-OE1 2.74Å; K23-E29 PolarHBondContact NZ-OE1 2.85Å; K23-L71 HydrophobicContact CB-CB 4.39Å; K23-L71 HydrophobicContact CG-CB 4.25Å; K23-L71 HydrophobicContact CG-CD2 3.94Å; K23-L71 WeakPolarHBondContact O-CB 3.3Å; K23-L71 PolarHBondContact O-N 2.81Å; K23-Y72 HydrophobicContact CB-CD1 3.7Å; K23-Y72 HydrophobicContact CB-CD2 4.24Å; K23-Y72 HydrophobicContact CB-CE1 3.34Å; K23-Y72 HydrophobicContact CB-CE2 3.91Å; K23-Y72 HydrophobicContact CB-CG 4.13Å; K23-Y72 VanDerWaalsContact CB-CZ 3.45Å; K23-Y72 HydrophobicContact CG-CD1 4.18Å; K23-Y72 HydrophobicContact CG-CE1 3.62Å; K23-Y72 PolarHBondContact N-O 2.77Å; K23-Y72 PolarHBondContact O-N 3.32Å
24L97.7Very high96.2Very high19 Ų1946.1 Ų46.110%0.09924%0.239CC..EExtended strand (participates in β ladder)trans-86.8154.4168.9-59.6-160.9000111.5V22 W26 G27 M28 Y30 I65 N69V22-L24 HydrophobicContact CG1-CD2 4.35Å; L24-W26 PolarHBondContact O-N 2.93Å; L24-G27 PolarHBondContact O-N 3.04Å; L24-G27 VanDerWaalsContact O-N 3.15Å; L24-M28 PolarHBondContact N-O 3.09Å; L24-Y30 HydrophobicContact CD1-CD2 4.28Å; L24-Y30 HydrophobicContact CD1-CE2 3.52Å; L24-Y30 HydrophobicContact CD2-CD2 4.39Å; L24-Y30 HydrophobicContact CD2-CE2 4.41Å; L24-Y30 HydrophobicContact CG-CD2 4.03Å; L24-Y30 HydrophobicContact CG-CE2 3.72Å; L24-I65 HydrophobicContact CD2-CG2 3.72Å; L24-N69 CarbonylContact C-O 3.53Å; L24-N69 VanDerWaalsContact CA-O 3.27Å; L24-N69 WeakPolarHBondContact CA-O 3.44Å; L24-N69 HydrophobicContact CD2-CB 4.37Å
25K96.7Very high96.4Very high117 Ų11747 Ų4751%0.50924%0.235SC..THydrogen-bonded Turntrans-55.9-22.3176.8-71.1176.8178.6175.70114.2N68 N69 L71K25-N68 WeakPolarHBondContact CD-O 3.26Å; K25-N68 VanDerWaalsContact CE-O 3.23Å; K25-N68 WeakPolarHBondContact CE-O 3.24Å; K25-N68 PolarHBondContact NZ-O 2.84Å; K25-N69 PolarHBondContact N-O 2.93Å; K25-L71 HydrophobicContact CG-CB 4.31Å
26W93.3Very high96.6Very high194 Ų19449.2 Ų49.274%0.73525%0.25SS*.THydrogen-bonded Turntrans-99.87.7-174.6-50.2111.4000113.8L24 M28L24-W26 PolarHBondContact O-N 2.93Å; W26-M28 HydrophobicContact CB-CE 4.43Å; W26-M28 HydrophobicContact CB-SD 3.76Å
27G92.4Very high96.6Very high25 Ų2548.4 Ų48.426%0.25825%0.245SC..SBendtrans101.7-17.4173.400000115.2K23 L24K23-G27 WeakPolarHBondContact CE-O 3.31Å; K23-G27 PolarHBondContact NZ-O 2.82Å; L24-G27 PolarHBondContact O-N 3.04Å; L24-G27 VanDerWaalsContact O-N 3.15Å
28M96.3Very high96.6Very high62 Ų6249 Ų4931%0.30524%0.235SC..  trans-68.9144.2175-53.484.6176.100111.7L24 W26 Y30 I52L24-M28 PolarHBondContact N-O 3.09Å; W26-M28 HydrophobicContact CB-CE 4.43Å; W26-M28 HydrophobicContact CB-SD 3.76Å; M28-Y30 HydrophobicContact CB-CE2 4.02Å; M28-I52 HydrophobicContact CG-CG1 4.21Å
29E97.2Very high96.4Very high30 Ų3057 Ų5714%0.1426%0.263CS..EExtended strand (participates in β ladder)trans-119.2140172.4-76.5178.3-155.900110.1V22 K23 Y51V22-E29 WeakPolarHBondContact O-CA 3.46Å; K23-E29 HydrophobicContact CB-CG 4.38Å; K23-E29 HydrophobicContact CD-CG 3.21Å; K23-E29 VanDerWaalsContact CD-OE1 3.25Å; K23-E29 WeakPolarHBondContact CD-OE1 3.37Å; K23-E29 WeakPolarHBondContact CE-OE1 3.48Å; K23-E29 HydrophobicContact CG-CG 4.41Å; K23-E29 IonicContact NZ-OE1 2.74Å; K23-E29 PolarHBondContact NZ-OE1 2.85Å; E29-Y51 PolarHBondContact N-O 3.24Å; E29-Y51 PolarHBondContact O-N 3.5Å
30Y97.9Very high96.4Very high27 Ų2763.5 Ų63.511%0.10629%0.287CS..EExtended strand (participates in β ladder)trans-120.4126.9174.3-65.2-77.7000109.2I21 V22 L24 M28 T48 D49 E50 L60 I65I21-Y30 CarbonylContact C-O 3.55Å; I21-Y30 WeakPolarHBondContact CA-O 3.3Å; V22-Y30 PolarHBondContact N-O 2.84Å; V22-Y30 PolarHBondContact O-N 2.92Å; L24-Y30 HydrophobicContact CD1-CD2 4.28Å; L24-Y30 HydrophobicContact CD1-CE2 3.52Å; L24-Y30 HydrophobicContact CD2-CD2 4.39Å; L24-Y30 HydrophobicContact CD2-CE2 4.41Å; L24-Y30 HydrophobicContact CG-CD2 4.03Å; L24-Y30 HydrophobicContact CG-CE2 3.72Å; M28-Y30 HydrophobicContact CB-CE2 4.02Å; Y30-T48 HydrophobicContact CD1-CG2 3.91Å; Y30-T48 HydrophobicContact CG-CG2 4.28Å; Y30-D49 WeakPolarHBondContact CA-O 3.27Å; Y30-E50 HydrophobicContact CD1-CB 4.09Å; Y30-E50 HydrophobicContact CD1-CG 4.24Å; Y30-E50 HydrophobicContact CE1-CB 3.74Å; Y30-E50 HydrophobicContact CE1-CG 3.56Å; Y30-E50 WeakPolarHBondContact CE1-OE1 3.5Å; Y30-E50 PolarHBondContact OH-OE1 3.24Å; Y30-L60 HydrophobicContact CD1-CD1 3.98Å; Y30-L60 HydrophobicContact CE1-CD1 3.46Å; Y30-L60 VanDerWaalsContact CE1-CD1 3.46Å; Y30-I65 HydrophobicContact CD2-CD1 3.87Å; Y30-I65 HydrophobicContact CG-CD1 4.09Å
31K97.1Very high96.2Very high37 Ų3767.7 Ų67.716%0.16131%0.308CS..EExtended strand (participates in β ladder)trans-111.4123174.9-178.6172.8168.3168.50108.3Q19 V20 I21 T48 D49 Y51 C76 D78Q19-K31 HydrophobicContact CG-CG 4.34Å; V20-K31 WeakPolarHBondContact O-CA 3.27Å; I21-K31 HydrophobicContact CG1-CB 4.22Å; I21-K31 HydrophobicContact CG1-CD 4.44Å; I21-K31 HydrophobicContact CG1-CG 4.11Å; K31-T48 CarbonylContact O-C 3.58Å; K31-T48 VanDerWaalsContact O-CA 3.28Å; K31-T48 WeakPolarHBondContact O-CA 3.39Å; K31-D49 PolarHBondContact N-O 2.82Å; K31-D49 PolarHBondContact O-N 3.02Å; K31-Y51 HydrophobicContact CB-CD2 4.33Å; K31-Y51 HydrophobicContact CB-CE2 3.77Å; K31-Y51 HydrophobicContact CD-CE2 4.34Å; K31-C76 WeakPolarHBondContact CE-SG 3.42Å; K31-D78 WeakPolarHBondContact CE-OD2 3.39Å; K31-D78 IonicContact NZ-OD1 2.93Å; K31-D78 PolarHBondContact NZ-OD1 2.7Å; K31-D78 IonicContact NZ-OD2 2.62Å; K31-D78 PolarHBondContact NZ-OD2 2.92Å
32G97.4Very high96.2Very high0 Ų068.2 Ų68.20%031%0.31CS..EExtended strand (participates in β ladder)trans-172.8176.3-177.900000112.2Q19 V20Q19-G32 CarbonylContact C-O 3.54Å; Q19-G32 WeakPolarHBondContact CA-O 3.45Å; V20-G32 WeakPolarHBondContact CG2-O 3.07Å; V20-G32 PolarHBondContact N-O 2.91Å; V20-G32 PolarHBondContact O-N 3.35Å; V20-G32 VanDerWaalsContact O-N 3.08Å
33Y97.4Very high96.2Very high109 Ų10968.4 Ų68.443%0.42731%0.311SS..EExtended strand (participates in β ladder)trans-81125.7176.2-71.7-89.7000110.6K18 Q19 V35 L45 H46K18-Y33 WeakPolarHBondContact O-CA 3.32Å; Q19-Y33 HydrophobicContact CB-CE1 4.36Å; Y33-V35 PolarHBondContact O-N 2.9Å; Y33-L45 CarbonylContact O-C 3.58Å; Y33-L45 VanDerWaalsContact O-CA 3.27Å; Y33-L45 WeakPolarHBondContact O-CA 3.33Å; Y33-H46 PolarHBondContact N-O 3.38Å; Y33-H46 PolarHBondContact O-N 2.62Å
34L97.8Very high96.2Very high1 Ų169.2 Ų69.21%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-74107.1175.8-17562.6000110.3I15 G17 K18 V20 V37 L43 L45 I73I15-L34 HydrophobicContact CD1-CD2 4.16Å; I15-L34 HydrophobicContact CG1-CD2 3.88Å; G17-L34 WeakPolarHBondContact CA-O 3.27Å; G17-L34 PolarHBondContact N-O 2.75Å; K18-L34 PolarHBondContact O-N 3.36Å; V20-L34 HydrophobicContact CG1-CB 3.9Å; V20-L34 HydrophobicContact CG1-CD2 4.37Å; V20-L34 HydrophobicContact CG2-CB 3.87Å; L34-V37 HydrophobicContact CD1-CG2 3.76Å; L34-V37 HydrophobicContact CD2-CG2 3.85Å; L34-V37 HydrophobicContact CG-CG2 4.08Å; L34-L43 HydrophobicContact CD1-CB 4.23Å; L34-L43 HydrophobicContact CD1-CD2 4.21Å; L34-L45 HydrophobicContact CB-CD2 4.37Å; L34-L45 HydrophobicContact CD1-CD2 3.88Å; L34-I73 HydrophobicContact CD1-CD1 4.39Å; L34-I73 HydrophobicContact CD2-CD1 4.03Å
35V97.7Very high96.2Very high67 Ų6768.3 Ų68.341%0.40631%0.311SS..EExtended strand (participates in β ladder)trans-83.2-49.7-178.8-179.70000111.2Y33 Q44 H46Y33-V35 PolarHBondContact O-N 2.9Å; V35-Q44 HydrophobicContact CB-CB 4.17Å; V35-Q44 HydrophobicContact CB-CG 3.94Å; V35-Q44 HydrophobicContact CG1-CG 4.35Å; V35-Q44 HydrophobicContact CG2-CG 4.4Å; V35-Q44 PolarHBondContact N-O 3.08Å; V35-H46 HydrophobicContact CG2-CB 3.51Å
36S96.3Very high96.3Very high50 Ų5067.3 Ų67.335%0.3531%0.308SS..EExtended strand (participates in β ladder)trans-155.4156.6-176750000111.7Q44S36-Q44 PolarHBondContact O-N 2.93Å; S36-Q44 WeakPolarHBondContact OG-CB 3.34Å; S36-Q44 PolarHBondContact OG-OE1 2.93Å
37V96Very high96.4Very high42 Ų4261 Ų6126%0.25529%0.293SS..EExtended strand (participates in β ladder)trans-135.6133.5175.3-1740000109L12 L34 M41 N42 L43L12-V37 HydrophobicContact CD1-CG1 4.16Å; L34-V37 HydrophobicContact CD1-CG2 3.76Å; L34-V37 HydrophobicContact CD2-CG2 3.85Å; L34-V37 HydrophobicContact CG-CG2 4.08Å; V37-M41 HydrophobicContact CG1-CB 4.44Å; V37-N42 WeakPolarHBondContact CA-O 3.43Å; V37-L43 HydrophobicContact CB-CD2 4.37Å; V37-L43 HydrophobicContact CG1-CD2 3.88Å; V37-L43 HydrophobicContact CG2-CD2 3.67Å
38D94.6Very high96.7Very high69 Ų6959.8 Ų59.837%0.36928%0.281SS..  trans-93.2-179176.779.44.7000113.2Y40 M41 N42D38-Y40 PolarHBondContact O-N 2.68Å; D38-Y40 VanDerWaalsContact OD1-C 3.32Å; D38-Y40 VanDerWaalsContact OD1-CA 3.3Å; D38-Y40 WeakPolarHBondContact OD1-CA 3.38Å; D38-Y40 WeakPolarHBondContact OD1-CB 3.44Å; D38-Y40 PolarHBondContact OD1-N 2.9Å; D38-M41 PolarHBondContact O-N 2.92Å; D38-M41 PolarHBondContact OD1-N 3.44Å; D38-N42 PolarHBondContact N-O 3.11Å; D38-N42 PolarHBondContact OD1-N 3.47Å; D38-N42 PolarHBondContact OD1-ND2 2.7Å; D38-N42 PolarHBondContact OD2-ND2 2.97Å
39R93.4Very high96.7Very high252 Ų25258.7 Ų58.795%0.95128%0.276SS*.THydrogen-bonded Turntrans-65.5-20.7179.3-66.3-178.2-177.1176.92114
40Y94.6Very high96.8Very high180 Ų18059.1 Ų59.171%0.70628%0.278SS*.THydrogen-bonded Turntrans-91.5-1.9176-66.8-73.4000112.2D38 N42 C67D38-Y40 PolarHBondContact O-N 2.68Å; D38-Y40 VanDerWaalsContact OD1-C 3.32Å; D38-Y40 VanDerWaalsContact OD1-CA 3.3Å; D38-Y40 WeakPolarHBondContact OD1-CA 3.38Å; D38-Y40 WeakPolarHBondContact OD1-CB 3.44Å; D38-Y40 PolarHBondContact OD1-N 2.9Å; Y40-N42 VanDerWaalsContact C-N 3.34Å; Y40-C67 WeakPolarHBondContact O-CB 3.23Å; Y40-C67 PolarHBondContact O-SG 3Å
41M93.5Very high96.7Very high89 Ų8960.6 Ų60.644%0.43828%0.284SS..  trans65.531.6-171.5-54.7179.2176.200113.7P8 L12 V37 D38 C67P8-M41 HydrophobicContact CB-CE 4.15Å; L12-M41 HydrophobicContact CD1-CE 4.05Å; L12-M41 HydrophobicContact CD1-CG 4.17Å; L12-M41 HydrophobicContact CD1-SD 4.34Å; V37-M41 HydrophobicContact CG1-CB 4.44Å; D38-M41 PolarHBondContact O-N 2.92Å; D38-M41 PolarHBondContact OD1-N 3.44Å; M41-C67 VanDerWaalsContact C-CB 3.47Å; M41-C67 HydrophobicContact CB-CB 4.15Å; M41-C67 VanDerWaalsContact O-CB 3.27Å; M41-C67 WeakPolarHBondContact O-CB 3.41Å
42N96.8Very high96.7Very high26 Ų2661.8 Ų61.814%0.13929%0.292CS..  trans-69.4137.7161.3-58.6-50.2000108.2V37 D38 Y40 L64 I65 R66 C67V37-N42 WeakPolarHBondContact CA-O 3.43Å; D38-N42 PolarHBondContact N-O 3.11Å; D38-N42 PolarHBondContact OD1-N 3.47Å; D38-N42 PolarHBondContact OD1-ND2 2.7Å; D38-N42 PolarHBondContact OD2-ND2 2.97Å; Y40-N42 VanDerWaalsContact C-N 3.34Å; N42-L64 HydrophobicContact CB-CD1 4.46Å; N42-I65 CarbonylContact C-O 3.56Å; N42-I65 VanDerWaalsContact CA-O 3.31Å; N42-I65 WeakPolarHBondContact CA-O 3.42Å; N42-R66 VanDerWaalsContact OD1-CA 3.3Å; N42-R66 WeakPolarHBondContact OD1-CA 3.37Å; N42-R66 WeakPolarHBondContact OD1-CG 3.28Å; N42-C67 PolarHBondContact OD1-N 3.22Å
43L98Very high96.4Very high4 Ų468.1 Ų68.12%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-113.3127.5-171.8-50174.6000109.4V22 L34 V37 L64 I65 V70 I73V22-L43 HydrophobicContact CB-CD1 4.42Å; V22-L43 HydrophobicContact CG1-CD1 3.78Å; V22-L43 HydrophobicContact CG2-CD1 3.69Å; L34-L43 HydrophobicContact CD1-CB 4.23Å; L34-L43 HydrophobicContact CD1-CD2 4.21Å; V37-L43 HydrophobicContact CB-CD2 4.37Å; V37-L43 HydrophobicContact CG1-CD2 3.88Å; V37-L43 HydrophobicContact CG2-CD2 3.67Å; L43-L64 WeakPolarHBondContact O-CA 3.27Å; L43-I65 HydrophobicContact CB-CB 4.32Å; L43-I65 PolarHBondContact N-O 2.81Å; L43-I65 PolarHBondContact O-N 3.5Å; L43-V70 HydrophobicContact CD1-CG2 4.02Å; L43-I73 HydrophobicContact CD1-CD1 4.05Å; L43-I73 HydrophobicContact CD2-CD1 4.32Å
44Q98.2Very high96Very high53 Ų5369 Ų6925%0.24834%0.338CS..EExtended strand (participates in β ladder)trans-96.3118.5166.9-173.8-175.87.700108.3V35 S36 E62V35-Q44 HydrophobicContact CB-CB 4.17Å; V35-Q44 HydrophobicContact CB-CG 3.94Å; V35-Q44 HydrophobicContact CG1-CG 4.35Å; V35-Q44 HydrophobicContact CG2-CG 4.4Å; V35-Q44 PolarHBondContact N-O 3.08Å; S36-Q44 PolarHBondContact O-N 2.93Å; S36-Q44 WeakPolarHBondContact OG-CB 3.34Å; S36-Q44 PolarHBondContact OG-OE1 2.93Å; Q44-E62 PolarHBondContact NE2-OE1 2.88Å
45L98.3Very high95.9Very high0 Ų072.9 Ų72.90%036%0.364CS..EExtended strand (participates in β ladder)trans-109.3143.2175-60.1-175.6000110.4V20 V22 Y33 L34 T48 E62 V63 I65V20-L45 HydrophobicContact CG2-CD2 3.61Å; V22-L45 HydrophobicContact CG2-CD1 4.03Å; V22-L45 HydrophobicContact CG2-CD2 4.44Å; Y33-L45 CarbonylContact O-C 3.58Å; Y33-L45 VanDerWaalsContact O-CA 3.27Å; Y33-L45 WeakPolarHBondContact O-CA 3.33Å; L34-L45 HydrophobicContact CB-CD2 4.37Å; L34-L45 HydrophobicContact CD1-CD2 3.88Å; L45-T48 HydrophobicContact CB-CG2 4.25Å; L45-T48 WeakPolarHBondContact CB-OG1 2.84Å; L45-T48 HydrophobicContact CD1-CG2 3.93Å; L45-E62 WeakPolarHBondContact O-CA 3.45Å; L45-V63 PolarHBondContact N-O 2.8Å; L45-V63 PolarHBondContact O-N 2.83Å; L45-I65 HydrophobicContact CD1-CD1 3.67Å; L45-I65 HydrophobicContact CG-CD1 4.37Å
46H97.7Very high95.8Very high96 Ų9674.6 Ų74.644%0.44437%0.367SS..EExtended strand (participates in β ladder)trans-119.5153.2171.8-174.950.4000111.1Y33 V35 T48 G61Y33-H46 PolarHBondContact N-O 3.38Å; Y33-H46 PolarHBondContact O-N 2.62Å; V35-H46 HydrophobicContact CG2-CB 3.51Å; H46-T48 VanDerWaalsContact C-N 3.27Å; H46-T48 PolarHBondContact O-N 3.09Å; H46-G61 CarbonylContact C-O 3.59Å
47S96.9Very high95.7Very high61 Ų6175.6 Ų75.643%0.42737%0.371SS..EExtended strand (participates in β ladder)trans46.752-172.8-58.20000111.8G61S47-G61 PolarHBondContact N-O 2.94Å; S47-G61 VanDerWaalsContact N-O 3.09Å
48T97.8Very high95.7Very high0 Ų074.6 Ų74.60%037%0.37CS..EExtended strand (participates in β ladder)trans-87127.7-171.3-45.10000111Y30 K31 L45 H46 L60 G61 V63Y30-T48 HydrophobicContact CD1-CG2 3.91Å; Y30-T48 HydrophobicContact CG-CG2 4.28Å; K31-T48 CarbonylContact O-C 3.58Å; K31-T48 VanDerWaalsContact O-CA 3.28Å; K31-T48 WeakPolarHBondContact O-CA 3.39Å; L45-T48 HydrophobicContact CB-CG2 4.25Å; L45-T48 WeakPolarHBondContact CB-OG1 2.84Å; L45-T48 HydrophobicContact CD1-CG2 3.93Å; H46-T48 VanDerWaalsContact C-N 3.27Å; H46-T48 PolarHBondContact O-N 3.09Å; T48-L60 PolarHBondContact O-N 2.89Å; T48-G61 WeakPolarHBondContact CB-O 3.37Å; T48-G61 PolarHBondContact N-O 2.89Å; T48-G61 PolarHBondContact O-N 2.97Å; T48-G61 PolarHBondContact OG1-O 3.18Å; T48-V63 HydrophobicContact CG2-CB 4.43Å; T48-V63 HydrophobicContact CG2-CG2 4.06Å
49D97.3Very high95.7Very high39 Ų3975.7 Ų75.721%0.20938%0.383CS..EExtended strand (participates in β ladder)trans-102.1141.4167-73.7-55.8000110.6Y30 K31 Y51 H56 S59Y30-D49 WeakPolarHBondContact CA-O 3.27Å; K31-D49 PolarHBondContact N-O 2.82Å; K31-D49 PolarHBondContact O-N 3.02Å; D49-Y51 HydrophobicContact CB-CE2 3.78Å; D49-H56 IonicContact OD1-CD2 3.88Å; D49-H56 IonicContact OD1-CE1 3.91Å; D49-H56 IonicContact OD1-NE2 2.94Å; D49-H56 PolarHBondContact OD1-NE2 3.09Å; D49-S59 WeakPolarHBondContact OD1-CA 3.41Å; D49-S59 WeakPolarHBondContact OD1-CB 3.14Å; D49-S59 PolarHBondContact OD1-OG 3.21Å
50E97.7Very high95.9Very high40 Ų4067.8 Ų67.819%0.18736%0.359CS..EExtended strand (participates in β ladder)trans-97.8140.1174.6-175.6-179.1-10800111Y30 I52 T57 G58 L60Y30-E50 HydrophobicContact CD1-CB 4.09Å; Y30-E50 HydrophobicContact CD1-CG 4.24Å; Y30-E50 HydrophobicContact CE1-CB 3.74Å; Y30-E50 HydrophobicContact CE1-CG 3.56Å; Y30-E50 WeakPolarHBondContact CE1-OE1 3.5Å; Y30-E50 PolarHBondContact OH-OE1 3.24Å; E50-I52 HydrophobicContact CG-CG1 4.33Å; E50-T57 VanDerWaalsContact CB-OG1 3.3Å; E50-T57 WeakPolarHBondContact CB-OG1 2.97Å; E50-T57 VanDerWaalsContact CG-OG1 3.24Å; E50-T57 WeakPolarHBondContact CG-OG1 3.04Å; E50-T57 PolarHBondContact O-N 2.75Å; E50-T57 PolarHBondContact O-OG1 3.07Å; E50-T57 PolarHBondContact OE2-OG1 2.93Å; E50-G58 PolarHBondContact N-O 3.1Å; E50-L60 HydrophobicContact CB-CD1 4.05Å; E50-L60 HydrophobicContact CB-CG 4.36Å
51Y97.3Very high96Very high58 Ų5860.5 Ų60.523%0.22734%0.339CS..EExtended strand (participates in β ladder)trans-128.5127.5174.3-64.8-100.6000109.8E29 K31 D49 C55 H56E29-Y51 PolarHBondContact N-O 3.24Å; E29-Y51 PolarHBondContact O-N 3.5Å; K31-Y51 HydrophobicContact CB-CD2 4.33Å; K31-Y51 HydrophobicContact CB-CE2 3.77Å; K31-Y51 HydrophobicContact CD-CE2 4.34Å; D49-Y51 HydrophobicContact CB-CE2 3.78Å; Y51-C55 VanDerWaalsContact CA-O 3.26Å; Y51-C55 WeakPolarHBondContact CA-O 3.45Å; Y51-H56 HydrophobicContact CD1-CB 4.15Å; Y51-H56 HydrophobicContact CE1-CB 3.84Å; Y51-H56 AromaticContact CZ-CD2 3.94Å
52I95.5Very high96.1Very high61 Ų6162.4 Ų62.431%0.31335%0.347SS..EExtended strand (participates in β ladder)trans-120.6127.2172.5-57-177.8000106.9M28 E50 N54 C55 T57M28-I52 HydrophobicContact CG-CG1 4.21Å; E50-I52 HydrophobicContact CG-CG1 4.33Å; I52-N54 PolarHBondContact O-N 3.33Å; I52-C55 PolarHBondContact N-O 2.91Å; I52-C55 WeakPolarHBondContact O-CB 3.46Å; I52-C55 PolarHBondContact O-N 3.01Å; I52-T57 HydrophobicContact CB-CG2 3.83Å; I52-T57 HydrophobicContact CD1-CG2 3.98Å; I52-T57 HydrophobicContact CG1-CG2 3.75Å
53D91.5Very high96.2Very high134 Ų13462.5 Ų62.572%0.71735%0.348SS*.THydrogen-bonded Turntrans51.739.5-176.3-58.5-38.4000113.5C55D53-C55 PolarHBondContact O-N 3.27Å; D53-C55 VanDerWaalsContact O-N 3.16Å
54N90Very high96.2Very high127 Ų12768.7 Ų68.768%0.67938%0.381SS*.THydrogen-bonded Turntrans64.26.1-175.4-54.9-27.6000115.3I52I52-N54 PolarHBondContact O-N 3.33Å
55C94.7Very high96.2Very high83 Ų8366.6 Ų66.656%0.56137%0.371SS*.EExtended strand (participates in β ladder)trans-93.2129.8172.3-670000109.8Y51 I52 D53 T57Y51-C55 VanDerWaalsContact CA-O 3.26Å; Y51-C55 WeakPolarHBondContact CA-O 3.45Å; I52-C55 PolarHBondContact N-O 2.91Å; I52-C55 WeakPolarHBondContact O-CB 3.46Å; I52-C55 PolarHBondContact O-N 3.01Å; D53-C55 PolarHBondContact O-N 3.27Å; D53-C55 VanDerWaalsContact O-N 3.16Å; C55-T57 PolarHBondContact O-N 2.62Å
56H95.5Very high96.1Very high103 Ų10373.8 Ų73.848%0.47740%0.398SS..EExtended strand (participates in β ladder)trans-63.1122.6170.4179.6-105.3000109.5D49 Y51D49-H56 IonicContact OD1-CD2 3.88Å; D49-H56 IonicContact OD1-CE1 3.91Å; D49-H56 IonicContact OD1-NE2 2.94Å; D49-H56 PolarHBondContact OD1-NE2 3.09Å; Y51-H56 HydrophobicContact CD1-CB 4.15Å; Y51-H56 HydrophobicContact CE1-CB 3.84Å; Y51-H56 AromaticContact CZ-CD2 3.94Å
57T95.2Very high96.1Very high70 Ų7070.9 Ų70.943%0.42939%0.388SS..EExtended strand (participates in β ladder)trans-103.3-25.1-178.355.10000112.8E50 I52 C55E50-T57 VanDerWaalsContact CB-OG1 3.3Å; E50-T57 WeakPolarHBondContact CB-OG1 2.97Å; E50-T57 VanDerWaalsContact CG-OG1 3.24Å; E50-T57 WeakPolarHBondContact CG-OG1 3.04Å; E50-T57 PolarHBondContact O-N 2.75Å; E50-T57 PolarHBondContact O-OG1 3.07Å; E50-T57 PolarHBondContact OE2-OG1 2.93Å; I52-T57 HydrophobicContact CB-CG2 3.83Å; I52-T57 HydrophobicContact CD1-CG2 3.98Å; I52-T57 HydrophobicContact CG1-CG2 3.75Å; C55-T57 PolarHBondContact O-N 2.62Å
58G94.8Very high96.1Very high22 Ų2271.5 Ų71.523%0.22739%0.387CS..EExtended strand (participates in β ladder)trans158.1172.5174.600000113.9E50E50-G58 PolarHBondContact N-O 3.1Å
59S96.2Very high96.1Very high92 Ų9274 Ų7464%0.64340%0.4SS*.EExtended strand (participates in β ladder)trans-96.1126.9177.1-50.40000110.6D49D49-S59 WeakPolarHBondContact OD1-CA 3.41Å; D49-S59 WeakPolarHBondContact OD1-CB 3.14Å; D49-S59 PolarHBondContact OD1-OG 3.21Å
60L96.5Very high96.1Very high85 Ų8573.4 Ų73.445%0.44540%0.398SS..EExtended strand (participates in β ladder)trans-100.4-18.5-178.9-61.3179.7000113.3Y30 T48 E50 E62 V63Y30-L60 HydrophobicContact CD1-CD1 3.98Å; Y30-L60 HydrophobicContact CE1-CD1 3.46Å; Y30-L60 VanDerWaalsContact CE1-CD1 3.46Å; T48-L60 PolarHBondContact O-N 2.89Å; E50-L60 HydrophobicContact CB-CD1 4.05Å; E50-L60 HydrophobicContact CB-CG 4.36Å; L60-E62 PolarHBondContact O-N 3.02Å; L60-V63 HydrophobicContact CB-CG2 3.59Å; L60-V63 HydrophobicContact CD1-CG2 3.98Å; L60-V63 HydrophobicContact CG-CG2 4.47Å
61G96.2Very high96.1Very high28 Ų2876.6 Ų76.629%0.28942%0.416SS..EExtended strand (participates in β ladder)trans76.6-113.5-177.100000111.9H46 S47 T48H46-G61 CarbonylContact C-O 3.59Å; S47-G61 PolarHBondContact N-O 2.94Å; S47-G61 VanDerWaalsContact N-O 3.09Å; T48-G61 WeakPolarHBondContact CB-O 3.37Å; T48-G61 PolarHBondContact N-O 2.89Å; T48-G61 PolarHBondContact O-N 2.97Å; T48-G61 PolarHBondContact OG1-O 3.18Å
62E97.3Very high96Very high128 Ų12878.3 Ų78.360%0.59842%0.422SS*.EExtended strand (participates in β ladder)trans-92.7126179.8-171.4173.4-172.200111.5Q44 L45 L60Q44-E62 PolarHBondContact NE2-OE1 2.88Å; L45-E62 WeakPolarHBondContact O-CA 3.45Å; L60-E62 PolarHBondContact O-N 3.02Å
63V97.6Very high96Very high28 Ų2877 Ų7717%0.1742%0.415CS..EExtended strand (participates in β ladder)trans-132.1137.5-175.2-178.60000110.4L45 T48 L60 I65L45-V63 PolarHBondContact N-O 2.8Å; L45-V63 PolarHBondContact O-N 2.83Å; T48-V63 HydrophobicContact CG2-CB 4.43Å; T48-V63 HydrophobicContact CG2-CG2 4.06Å; L60-V63 HydrophobicContact CB-CG2 3.59Å; L60-V63 HydrophobicContact CD1-CG2 3.98Å; L60-V63 HydrophobicContact CG-CG2 4.47Å; V63-I65 HydrophobicContact CG1-CG1 3.9Å
64L97.7Very high96.2Very high135 Ų13575.7 Ų75.771%0.70740%0.401SS*.EExtended strand (participates in β ladder)trans-105.9114.9167.7-179.670.1000109.6N42 L43N42-L64 HydrophobicContact CB-CD1 4.46Å; L43-L64 WeakPolarHBondContact O-CA 3.27Å
65I97.8Very high96.4Very high9 Ų972.9 Ų72.95%0.04638%0.383CS..EExtended strand (participates in β ladder)trans-99.2124.3177.1-56.2178.7000109.5V22 L24 Y30 N42 L43 L45 V63 V70V22-I65 HydrophobicContact CB-CD1 4.11Å; V22-I65 HydrophobicContact CG1-CD1 3.89Å; V22-I65 HydrophobicContact CG2-CD1 4.45Å; L24-I65 HydrophobicContact CD2-CG2 3.72Å; Y30-I65 HydrophobicContact CD2-CD1 3.87Å; Y30-I65 HydrophobicContact CG-CD1 4.09Å; N42-I65 CarbonylContact C-O 3.56Å; N42-I65 VanDerWaalsContact CA-O 3.31Å; N42-I65 WeakPolarHBondContact CA-O 3.42Å; L43-I65 HydrophobicContact CB-CB 4.32Å; L43-I65 PolarHBondContact N-O 2.81Å; L43-I65 PolarHBondContact O-N 3.5Å; L45-I65 HydrophobicContact CD1-CD1 3.67Å; L45-I65 HydrophobicContact CG-CD1 4.37Å; V63-I65 HydrophobicContact CG1-CG1 3.9Å; I65-V70 HydrophobicContact CG2-CG2 3.62Å
66R98.1Very high96.2Very high151 Ų15169.5 Ų69.557%0.5736%0.361SS*.  trans-74.4134173.7-166.6178.8163.576.61.9111.3N42 N68 N69N42-R66 VanDerWaalsContact OD1-CA 3.3Å; N42-R66 WeakPolarHBondContact OD1-CA 3.37Å; N42-R66 WeakPolarHBondContact OD1-CG 3.28Å; R66-N68 VanDerWaalsContact C-N 3.32Å; R66-N68 WeakPolarHBondContact CD-OD1 3.3Å; R66-N68 WeakPolarHBondContact CG-OD1 3.41Å; R66-N68 PolarHBondContact NE-OD1 3.18Å; R66-N68 PolarHBondContact O-N 2.8Å; R66-N69 PolarHBondContact O-N 2.79Å; R66-N69 VanDerWaalsContact O-N 3.1Å
67C96.8Very high95.5Very high34 Ų3469.5 Ų69.523%0.2336%0.364CS..G310 helixtrans-54.2-39.9-173.963.10000115.2Y40 M41 N42 N69 V70Y40-C67 WeakPolarHBondContact O-CB 3.23Å; Y40-C67 PolarHBondContact O-SG 3Å; M41-C67 VanDerWaalsContact C-CB 3.47Å; M41-C67 HydrophobicContact CB-CB 4.15Å; M41-C67 VanDerWaalsContact O-CB 3.27Å; M41-C67 WeakPolarHBondContact O-CB 3.41Å; N42-C67 PolarHBondContact OD1-N 3.22Å; C67-N69 PolarHBondContact O-N 2.83Å; C67-N69 VanDerWaalsContact O-N 3.09Å; C67-V70 WeakPolarHBondContact O-CB 3.23Å; C67-V70 PolarHBondContact O-N 2.9Å
68N97.6Very high94Very high74 Ų7469.5 Ų69.540%0.39636%0.362SS..G310 helixtrans-69.3-11.4-175.272-79.6000113.3K25 R66K25-N68 WeakPolarHBondContact CD-O 3.26Å; K25-N68 VanDerWaalsContact CE-O 3.23Å; K25-N68 WeakPolarHBondContact CE-O 3.24Å; K25-N68 PolarHBondContact NZ-O 2.84Å; R66-N68 VanDerWaalsContact C-N 3.32Å; R66-N68 WeakPolarHBondContact CD-OD1 3.3Å; R66-N68 WeakPolarHBondContact CG-OD1 3.41Å; R66-N68 PolarHBondContact NE-OD1 3.18Å; R66-N68 PolarHBondContact O-N 2.8Å
69N97.4Very high92.1Very high52 Ų5276.7 Ų76.728%0.27840%0.395SS..G310 helixtrans-94.2-16.1175-64.1-35.5000112.5L24 K25 R66 C67L24-N69 CarbonylContact C-O 3.53Å; L24-N69 VanDerWaalsContact CA-O 3.27Å; L24-N69 WeakPolarHBondContact CA-O 3.44Å; L24-N69 HydrophobicContact CD2-CB 4.37Å; K25-N69 PolarHBondContact N-O 2.93Å; R66-N69 PolarHBondContact O-N 2.79Å; R66-N69 VanDerWaalsContact O-N 3.1Å; C67-N69 PolarHBondContact O-N 2.83Å; C67-N69 VanDerWaalsContact O-N 3.09Å
70V97.1Very high89.9Confident27 Ų2782.2 Ų82.216%0.16440%0.402CS..EExtended strand (participates in β ladder)trans-73.2131.7179.5-178.70000109.4V22 L43 I65 C67V22-V70 HydrophobicContact CG1-CG1 4Å; V22-V70 HydrophobicContact CG1-CG2 4.05Å; L43-V70 HydrophobicContact CD1-CG2 4.02Å; I65-V70 HydrophobicContact CG2-CG2 3.62Å; C67-V70 WeakPolarHBondContact O-CB 3.23Å; C67-V70 PolarHBondContact O-N 2.9Å
71L97.2Very high87.7Confident108 Ų10885.4 Ų85.457%0.56542%0.418SS*.EExtended strand (participates in β ladder)trans-91.7-50.5169.1-177.664.6000110.2K23 K25K23-L71 HydrophobicContact CB-CB 4.39Å; K23-L71 HydrophobicContact CG-CB 4.25Å; K23-L71 HydrophobicContact CG-CD2 3.94Å; K23-L71 WeakPolarHBondContact O-CB 3.3Å; K23-L71 PolarHBondContact O-N 2.81Å; K25-L71 HydrophobicContact CG-CB 4.31Å
72Y95.7Very high85.5Confident93 Ų9391.9 Ų91.937%0.36545%0.446SS..EExtended strand (participates in β ladder)trans-154.8164.4172.968.4-101.7000111.5K23 R74K23-Y72 HydrophobicContact CB-CD1 3.7Å; K23-Y72 HydrophobicContact CB-CD2 4.24Å; K23-Y72 HydrophobicContact CB-CE1 3.34Å; K23-Y72 HydrophobicContact CB-CE2 3.91Å; K23-Y72 HydrophobicContact CB-CG 4.13Å; K23-Y72 VanDerWaalsContact CB-CZ 3.45Å; K23-Y72 HydrophobicContact CG-CD1 4.18Å; K23-Y72 HydrophobicContact CG-CE1 3.62Å; K23-Y72 PolarHBondContact N-O 2.77Å; K23-Y72 PolarHBondContact O-N 3.32Å; Y72-R74 HydrophobicContact CE2-CG 4.19Å
73I96Very high82.7Confident33 Ų3392.3 Ų92.317%0.16946%0.458CS..EExtended strand (participates in β ladder)trans-127.4140.1169.3-178.6170.6000108.9F11 L12 I15 V20 I21 V22 L34 L43F11-I73 HydrophobicContact CE1-CG2 4.33Å; L12-I73 HydrophobicContact CD2-CD1 4.41Å; L12-I73 HydrophobicContact CD2-CG2 4.03Å; I15-I73 HydrophobicContact CD1-CD1 3.75Å; I15-I73 HydrophobicContact CD1-CG1 3.92Å; V20-I73 HydrophobicContact CB-CD1 4.25Å; V20-I73 HydrophobicContact CB-CG1 4.17Å; V20-I73 HydrophobicContact CG1-CD1 4.32Å; V20-I73 HydrophobicContact CG1-CG1 4.49Å; V20-I73 HydrophobicContact CG2-CD1 4.19Å; V20-I73 HydrophobicContact CG2-CG1 4.5Å; I21-I73 WeakPolarHBondContact O-CA 3.45Å; V22-I73 HydrophobicContact CG2-CB 4.47Å; V22-I73 HydrophobicContact CG2-CD1 4.15Å; V22-I73 HydrophobicContact CG2-CG1 4.06Å; L34-I73 HydrophobicContact CD1-CD1 4.39Å; L34-I73 HydrophobicContact CD2-CD1 4.03Å; L43-I73 HydrophobicContact CD1-CD1 4.05Å; L43-I73 HydrophobicContact CD2-CD1 4.32Å
74R94.9Very high80.2Confident108 Ų108102.8 Ų102.841%0.40851%0.512SS..EExtended strand (participates in β ladder)trans-139156.1173.967.3179.4-176.297.7-10.2111.3V20 I21 Y72V20-R74 CarbonylContact C-O 3.5Å; V20-R74 VanDerWaalsContact CA-O 3.23Å; V20-R74 WeakPolarHBondContact CA-O 3.38Å; V20-R74 WeakPolarHBondContact CB-O 3.17Å; I21-R74 HydrophobicContact CB-CG 4Å; I21-R74 VanDerWaalsContact CD1-CZ 3.47Å; I21-R74 PolarHBondContact N-O 2.68Å; I21-R74 PolarHBondContact O-N 2.88Å; Y72-R74 HydrophobicContact CE2-CG 4.19Å
75E94.5Very high79.3Confident67 Ų67101.2 Ų101.231%0.31350%0.502SS..EExtended strand (participates in β ladder)trans-64.5141.6167.1-168.4166.517000109.8I15 K18I15-E75 HydrophobicContact CG2-CB 4.2Å; K18-E75 HydrophobicContact CD-CG 4.2Å; K18-E75 WeakPolarHBondContact CD-OE1 3.4Å; K18-E75 WeakPolarHBondContact CE-OE1 3.25Å; K18-E75 IonicContact NZ-OE1 2.68Å; K18-E75 PolarHBondContact NZ-OE1 2.74Å; K18-E75 IonicContact NZ-OE2 2.97Å; K18-E75 PolarHBondContact NZ-OE2 3.03Å
76C91Very high78.3Confident13 Ų13106.1 Ų106.19%0.08853%0.526CS..  trans-95.1100.7172.3-161.80000108Q19 I21 K31 D78Q19-C76 HydrophobicContact CB-CB 4.02Å; Q19-C76 HydrophobicContact CG-CB 3.9Å; Q19-C76 WeakPolarHBondContact O-CB 3.47Å; Q19-C76 PolarHBondContact O-N 2.89Å; I21-C76 HydrophobicContact CD1-CB 4.27Å; I21-C76 VanDerWaalsContact CD1-SG 3.57Å; I21-C76 HydrophobicContact CG1-CB 4.16Å; K31-C76 WeakPolarHBondContact CE-SG 3.42Å; C76-D78 PolarHBondContact O-N 3.15Å; C76-D78 PolarHBondContact SG-OD1 3.2Å
77D80.3Confident77.2Confident103 Ų103103.6 Ų103.655%0.55152%0.523SS*.  trans-76.166.8175.9-63.6-29.8000110.3D79D77-D79 PolarHBondContact O-N 2.99Å
78D64Low76.1Confident70 Ų70107.6 Ų107.637%0.37454%0.541SS..G310 helixtrans-73.2-9.1179.4-87.6-2.8000113.2Q19 K31 C76 R80Q19-D78 PolarHBondContact OE1-OD2 2.84Å; K31-D78 WeakPolarHBondContact CE-OD2 3.39Å; K31-D78 IonicContact NZ-OD1 2.93Å; K31-D78 PolarHBondContact NZ-OD1 2.7Å; K31-D78 IonicContact NZ-OD2 2.62Å; K31-D78 PolarHBondContact NZ-OD2 2.92Å; C76-D78 PolarHBondContact O-N 3.15Å; C76-D78 PolarHBondContact SG-OD1 3.2Å; D78-R80 PolarHBondContact O-N 3.16Å
79D54.3Low74.8Confident172 Ų172109.8 Ų109.892%0.9255%0.55SS*.G310 helixtrans-67.4-0.9172.7-73.2-31.2000113.9D77D77-D79 PolarHBondContact O-N 2.99Å
80R49Very low73.3Confident209 Ų209113.6 Ų113.679%0.78957%0.568SS**G310 helixtrans-106.3-1.8-174.3-66.6-171.370.61051.7116D78D78-R80 PolarHBondContact O-N 3.16Å
81L50.7Low71.5Confident152 Ų152119.8 Ų119.880%0.79660%0.597SS**SBendtrans-134.229-170.3-138.286000118.4
82D51Low69.6Low163 Ų163120.7 Ų120.787%0.87260%0.599SS**SBendtrans-13133167.8-71.4-32.5000113.8
83T38.6Very low67.4Low138 Ų138123 Ų12385%0.84762%0.619SS**  trans-126.245.1167.4-42.70000113.2
84L44.5Very low64.8Low248 Ų248131.2 Ų131.2100%1.29866%0.66SS**  trans-1240157.2-70.4178.8000110.3

Retrieved 84 of 84 residues in 54.8 ms (Link to these results)

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