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DNA-directed RNA polymerase subunit epsilon

A non-essential component of RNA polymerase (RNAP).

AlphaFold DB (Q2FZG8), UniProt , Accession Q99V08, Species STAAN (Staphylococcus aureus (strain N315)), Gene rpoY, Length 72 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
1M87.7Confident94.5Very high159 Ų15944.8 Ų44.878%0.78322%0.219SC*.  0155.60-79.3106.571.500109E27 Q29M1-E27 HydrophobicContact CB-CG 3.69Å; M1-E27 WeakPolarHBondContact CB-OE1 3.22Å; M1-E27 VanDerWaalsContact CE-OE1 3.22Å; M1-E27 WeakPolarHBondContact CE-OE1 3.16Å; M1-E27 HydrophobicContact CG-CG 4.25Å; M1-Q29 HydrophobicContact CG-CG 4.35Å
2A93.2Very high94Very high18 Ų1853.8 Ų53.815%0.14925%0.249CC..EExtended strand (participates in β ladder)trans-130.4153.5175.400000109.6F4 E27 A28 K50A2-F4 HydrophobicContact CB-CE2 4.07Å; A2-F4 HydrophobicContact CB-CZ 4.46Å; A2-F4 WeakPolarHBondContact O-CD2 2.94Å; A2-E27 WeakPolarHBondContact O-CA 3.45Å; A2-A28 PolarHBondContact N-O 2.93Å; A2-A28 PolarHBondContact O-N 3.4Å; A2-A28 VanDerWaalsContact O-O 3.11Å; A2-K50 HydrophobicContact CB-CD 4.35Å; A2-K50 HydrophobicContact CB-CG 4.1Å
3V96.4Very high93.8Very high21 Ų2159.3 Ų59.313%0.12728%0.282CS..EExtended strand (participates in β ladder)trans-88.7133.6173.2-177.20000108.7Y25 V26 L51 L56 F66 V68V3-Y25 HydrophobicContact CG1-CD1 4.44Å; V3-V26 CarbonylContact C-O 3.59Å; V3-L51 HydrophobicContact CG1-CD1 4.18Å; V3-L51 PolarHBondContact O-N 2.97Å; V3-L56 HydrophobicContact CB-CD1 4.02Å; V3-L56 HydrophobicContact CG1-CD1 4.36Å; V3-L56 HydrophobicContact CG2-CD1 4.25Å; V3-F66 HydrophobicContact CG1-CZ 4.19Å; V3-V68 HydrophobicContact CG1-CG1 4.35Å; V3-V68 HydrophobicContact CG1-CG2 4.29Å; V3-V68 HydrophobicContact CG2-CG1 4.36Å
4F97.6Very high93.5Very high12 Ų1262.9 Ų62.95%0.05330%0.298CS..EExtended strand (participates in β ladder)trans-115.3132.9175.3-65.7-95.6000109A2 Y25 V26 A28 E31 V34 I48 T49 K50A2-F4 HydrophobicContact CB-CE2 4.07Å; A2-F4 HydrophobicContact CB-CZ 4.46Å; A2-F4 WeakPolarHBondContact O-CD2 2.94Å; F4-Y25 CarbonylContact O-C 3.55Å; F4-Y25 VanDerWaalsContact O-CA 3.32Å; F4-Y25 WeakPolarHBondContact O-CA 3.36Å; F4-V26 PolarHBondContact N-O 3.47Å; F4-V26 PolarHBondContact O-N 3.32Å; F4-A28 HydrophobicContact CD2-CB 4.03Å; F4-A28 HydrophobicContact CE2-CB 3.97Å; F4-E31 HydrophobicContact CE1-CB 4.44Å; F4-V34 HydrophobicContact CB-CG2 3.99Å; F4-V34 HydrophobicContact CD2-CG2 3.69Å; F4-V34 HydrophobicContact CE2-CG2 4.29Å; F4-V34 HydrophobicContact CG-CG2 3.82Å; F4-I48 HydrophobicContact CB-CG2 3.89Å; F4-I48 HydrophobicContact CD1-CG2 3.74Å; F4-I48 HydrophobicContact CG-CG2 4.17Å; F4-T49 CarbonylContact C-O 3.54Å; F4-T49 VanDerWaalsContact CA-O 3.28Å; F4-T49 WeakPolarHBondContact CA-O 3.44Å; F4-K50 HydrophobicContact CD1-CB 3.92Å; F4-K50 HydrophobicContact CD1-CG 4.23Å; F4-K50 HydrophobicContact CE1-CB 3.72Å; F4-K50 HydrophobicContact CE1-CD 4.46Å; F4-K50 HydrophobicContact CE1-CG 3.82Å; F4-K50 HydrophobicContact CZ-CB 4.49Å; F4-K50 HydrophobicContact CZ-CG 4.1Å
5K97.4Very high93.4Very high22 Ų2267.2 Ų67.210%0.09633%0.33CS..EExtended strand (participates in β ladder)trans-88.6126.3166.3-170.1168-173.2159.40108.4F7 Y25 I48 T49 L51 E59K5-F7 HydrophobicContact CD-CE1 4.46Å; K5-F7 HydrophobicContact CD-CE2 4.15Å; K5-F7 HydrophobicContact CD-CZ 3.76Å; K5-F7 HydrophobicContact CG-CE2 4.07Å; K5-F7 HydrophobicContact CG-CZ 4.09Å; K5-Y25 HydrophobicContact CB-CD1 4.17Å; K5-Y25 HydrophobicContact CB-CE1 4.15Å; K5-Y25 HydrophobicContact CD-CE1 3.78Å; K5-Y25 HydrophobicContact CG-CD1 4.19Å; K5-Y25 HydrophobicContact CG-CE1 3.81Å; K5-Y25 PolarHBondContact NZ-OH 3.34Å; K5-I48 WeakPolarHBondContact O-CA 3.37Å; K5-T49 PolarHBondContact N-O 2.6Å; K5-T49 PolarHBondContact O-N 3.18Å; K5-L51 HydrophobicContact CB-CD1 4.06Å; K5-L51 HydrophobicContact CB-CD2 3.98Å; K5-L51 HydrophobicContact CB-CG 4.04Å; K5-E59 WeakPolarHBondContact CD-OE1 3.3Å; K5-E59 IonicContact NZ-OE1 2.88Å; K5-E59 PolarHBondContact NZ-OE1 2.97Å; K5-E59 IonicContact NZ-OE2 2.74Å; K5-E59 PolarHBondContact NZ-OE2 3.46Å
6V97.3Very high93.3Very high0 Ų069 Ų690%034%0.34CS..EExtended strand (participates in β ladder)trans-112.9120.9-179.2-175.70000108.3S23 L24 V26 V34 L38 I45 F47 I48V6-S23 CarbonylContact O-C 3.47Å; V6-S23 WeakPolarHBondContact O-CA 3.42Å; V6-L24 HydrophobicContact CB-CD1 3.69Å; V6-L24 HydrophobicContact CB-CG 4.12Å; V6-L24 HydrophobicContact CG1-CD1 4.5Å; V6-L24 HydrophobicContact CG2-CD1 3.82Å; V6-L24 PolarHBondContact N-O 2.84Å; V6-L24 PolarHBondContact O-N 3.16Å; V6-V26 HydrophobicContact CG2-CG2 4.08Å; V6-V34 HydrophobicContact CG2-CG1 3.54Å; V6-L38 HydrophobicContact CB-CD1 4.28Å; V6-L38 HydrophobicContact CG1-CD1 3.79Å; V6-L38 HydrophobicContact CG2-CD1 4.01Å; V6-I45 HydrophobicContact CG1-CG1 4.39Å; V6-I45 HydrophobicContact CG1-CG2 3.92Å; V6-F47 WeakPolarHBondContact CA-O 3.47Å; V6-I48 HydrophobicContact CG1-CG1 4.13Å; V6-I48 HydrophobicContact CG2-CG1 4.23Å; V6-I48 HydrophobicContact CG2-CG2 4.3Å
7F96.6Very high93.3Very high70 Ų7068.3 Ų68.331%0.30734%0.34SS..EExtended strand (participates in β ladder)trans-93.4126170.2-62.9-84.4000108.8K5 T21 Q22 E46 F47K5-F7 HydrophobicContact CD-CE1 4.46Å; K5-F7 HydrophobicContact CD-CE2 4.15Å; K5-F7 HydrophobicContact CD-CZ 3.76Å; K5-F7 HydrophobicContact CG-CE2 4.07Å; K5-F7 HydrophobicContact CG-CZ 4.09Å; F7-T21 HydrophobicContact CB-CG2 3.95Å; F7-T21 HydrophobicContact CD1-CG2 4.21Å; F7-Q22 CarbonylContact C-O 3.55Å; F7-Q22 VanDerWaalsContact CA-O 3.29Å; F7-Q22 WeakPolarHBondContact CA-O 3.26Å; F7-E46 HydrophobicContact CB-CB 4.48Å; F7-E46 PolarHBondContact O-N 3.44Å; F7-F47 HydrophobicContact CB-CB 4.35Å; F7-F47 HydrophobicContact CD2-CB 4.05Å; F7-F47 PolarHBondContact N-O 2.92Å; F7-F47 PolarHBondContact O-N 2.83Å
8Y96.5Very high93.3Very high25 Ų2576.5 Ų76.510%0.09837%0.367CS..EExtended strand (participates in β ladder)trans-150.7162.1-173.474.7-81.4000113.3H10 Q22 L24 F43 N44Y8-H10 AromaticContact CE2-NE2 3.96Å; Y8-Q22 HydrophobicContact CD1-CB 4.35Å; Y8-Q22 HydrophobicContact CE1-CB 3.87Å; Y8-Q22 HydrophobicContact CE2-CB 4.29Å; Y8-Q22 PolarHBondContact N-O 3.36Å; Y8-Q22 PolarHBondContact O-N 3.14Å; Y8-L24 HydrophobicContact CD1-CD2 3.89Å; Y8-L24 HydrophobicContact CD1-CG 3.91Å; Y8-L24 HydrophobicContact CE1-CB 3.93Å; Y8-L24 HydrophobicContact CE1-CD2 3.4Å; Y8-L24 HydrophobicContact CE1-CG 3.56Å; Y8-F43 HydrophobicContact CD2-CB 3.83Å; Y8-F43 AromaticContact CD2-CD1 3.69Å; Y8-F43 HydrophobicContact CD2-CD1 3.69Å; Y8-F43 AromaticContact CD2-CD2 3.49Å; Y8-F43 HydrophobicContact CD2-CD2 3.49Å; Y8-F43 VanDerWaalsContact CD2-CD2 3.49Å; Y8-F43 HydrophobicContact CD2-CE1 4.05Å; Y8-F43 AromaticContact CD2-CE2 3.88Å; Y8-F43 HydrophobicContact CD2-CE2 3.88Å; Y8-F43 AromaticContact CD2-CG 3.39Å; Y8-F43 HydrophobicContact CD2-CG 3.39Å; Y8-F43 HydrophobicContact CD2-CZ 4.13Å; Y8-F43 AromaticContact CE2-CD1 3.76Å; Y8-F43 HydrophobicContact CE2-CD1 3.76Å; Y8-F43 AromaticContact CE2-CD2 3.71Å; Y8-F43 HydrophobicContact CE2-CD2 3.71Å; Y8-F43 AromaticContact CE2-CE1 3.61Å; Y8-F43 HydrophobicContact CE2-CE1 3.61Å; Y8-F43 AromaticContact CE2-CE2 3.57Å; Y8-F43 HydrophobicContact CE2-CE2 3.57Å; Y8-F43 AromaticContact CE2-CG 3.81Å; Y8-F43 HydrophobicContact CE2-CG 3.81Å; Y8-F43 AromaticContact CE2-CZ 3.51Å; Y8-F43 HydrophobicContact CE2-CZ 3.51Å; Y8-F43 HydrophobicContact CG-CB 4.31Å; Y8-F43 AromaticContact CG-CD2 3.97Å; Y8-F43 HydrophobicContact CG-CD2 3.97Å; Y8-F43 HydrophobicContact CG-CE2 4.49Å; Y8-F43 HydrophobicContact CG-CG 4.15Å; Y8-F43 AromaticContact CZ-CE2 3.93Å; Y8-N44 CarbonylContact C-O 3.5Å; Y8-N44 WeakPolarHBondContact CA-O 3.47Å; Y8-N44 WeakPolarHBondContact CB-O 3.24Å
9Q96.2Very high93.3Very high8 Ų880.4 Ų80.44%0.03738%0.384CS..EExtended strand (participates in β ladder)trans-118.8149.4167.2-51.4-164.4-4.900109.8N11 V17 T21 F43 N44 E46Q9-N11 VanDerWaalsContact C-N 3.34Å; Q9-N11 PolarHBondContact O-N 2.95Å; Q9-V17 PolarHBondContact NE2-O 2.76Å; Q9-T21 PolarHBondContact NE2-OG1 3.12Å; Q9-F43 CarbonylContact O-C 3.56Å; Q9-F43 WeakPolarHBondContact O-CA 3.48Å; Q9-N44 HydrophobicContact CB-CB 4.21Å; Q9-N44 PolarHBondContact N-O 3.16Å; Q9-N44 PolarHBondContact O-N 2.74Å; Q9-E46 VanDerWaalsContact CG-OE1 3.24Å; Q9-E46 WeakPolarHBondContact CG-OE1 3.35Å; Q9-E46 PolarHBondContact NE2-OE1 3.08Å
10H92Very high93.3Very high113 Ų11380.7 Ų80.752%0.52339%0.388SS..SBendtrans-67.3-31.7-171-73.793.1000114.1Y8 N42 F43Y8-H10 AromaticContact CE2-NE2 3.96Å; H10-N42 VanDerWaalsContact O-O 3.09Å; H10-F43 AromaticContact CD2-CE1 3.79Å
11N89Confident93.4Very high45 Ų4578.5 Ų78.524%0.24138%0.38CS..  trans-120.1114.9-176.5-169.9-3.6000110.7Q9 D13 E14Q9-N11 VanDerWaalsContact C-N 3.34Å; Q9-N11 PolarHBondContact O-N 2.95Å; N11-D13 VanDerWaalsContact C-N 3.25Å; N11-D13 PolarHBondContact O-N 3.08Å; N11-D13 WeakPolarHBondContact OD1-CB 3.26Å; N11-D13 PolarHBondContact OD1-N 3.44Å; N11-E14 HydrophobicContact CB-CB 4.16Å; N11-E14 HydrophobicContact CB-CG 4.01Å; N11-E14 WeakPolarHBondContact ND2-CG 3.42Å; N11-E14 PolarHBondContact ND2-OE1 2.65Å; N11-E14 PolarHBondContact O-N 2.99Å
12R88.7Confident93.8Very high152 Ų15275.3 Ų75.357%0.57436%0.363SS*.THydrogen-bonded Turntrans-70.2-18.8175.273.1179.4-173.4-164.7-7.9114.9E14 N42 N44R12-E14 VanDerWaalsContact C-N 3.33Å; R12-N42 VanDerWaalsContact CD-OD1 3.22Å; R12-N42 WeakPolarHBondContact CD-OD1 3.34Å; R12-N42 WeakPolarHBondContact CG-OD1 2.99Å; R12-N42 PolarHBondContact N-O 2.98Å; R12-N42 PolarHBondContact NE-OD1 2.88Å; R12-N44 HydrophobicContact CB-CB 4.19Å
13D91.2Very high93.8Very high126 Ų12677 Ų7767%0.67437%0.373SS*.THydrogen-bonded Turntrans-89.8-4.7-178.7-56.2-42.1000111.7N11N11-D13 VanDerWaalsContact C-N 3.25Å; N11-D13 PolarHBondContact O-N 3.08Å; N11-D13 WeakPolarHBondContact OD1-CB 3.26Å; N11-D13 PolarHBondContact OD1-N 3.44Å
14E89.5Confident93.8Very high110 Ų11076.8 Ų76.851%0.51437%0.372SS..SBendtrans-90.9153.1174.5-80.6168.7-14900112.1N11 R12 I16N11-E14 HydrophobicContact CB-CB 4.16Å; N11-E14 HydrophobicContact CB-CG 4.01Å; N11-E14 WeakPolarHBondContact ND2-CG 3.42Å; N11-E14 PolarHBondContact ND2-OE1 2.65Å; N11-E14 PolarHBondContact O-N 2.99Å; R12-E14 VanDerWaalsContact C-N 3.33Å; E14-I16 PolarHBondContact O-N 3.23Å
15V91.7Very high93.8Very high127 Ų12776.3 Ų76.377%0.7737%0.37SS*.PPolyproline II helixtrans-63.6135.6171.8-178.20000108.9V17V15-V17 PolarHBondContact O-N 3.4Å
16I91.4Very high93.7Very high96 Ų9675.3 Ų75.349%0.49237%0.365SS..PPolyproline II helixtrans-64.6117.3178.9-57.7175.6000109.3E14 N44E14-I16 PolarHBondContact O-N 3.23Å; I16-N44 VanDerWaalsContact CG1-ND2 3.33Å; I16-N44 WeakPolarHBondContact CG1-ND2 3.17Å
17V94Very high93.7Very high57 Ų5777.9 Ų77.935%0.34538%0.377SS..  trans-114.4116.3174.6175.70000107.7Q9 V15 E19 N20Q9-V17 PolarHBondContact NE2-O 2.76Å; V15-V17 PolarHBondContact O-N 3.4Å; V17-E19 HydrophobicContact CG1-CB 4.31Å; V17-E19 WeakPolarHBondContact CG1-OE2 3.33Å; V17-E19 PolarHBondContact O-N 3.39Å; V17-E19 VanDerWaalsContact O-N 3.12Å; V17-N20 HydrophobicContact CB-CB 4.3Å; V17-N20 WeakPolarHBondContact O-CB 3.36Å; V17-N20 PolarHBondContact O-N 3.04Å
18R92.4Very high93.8Very high216 Ų21674.6 Ų74.682%0.81536%0.363SS*.G310 helixtrans-58.7-31.6-170-175.6175.9176.2114.7-0.1112.9N20 T21R18-N20 PolarHBondContact O-N 2.8Å; R18-T21 PolarHBondContact O-N 2.61Å; R18-T21 PolarHBondContact O-OG1 3.23Å
19E94.1Very high93.7Very high151 Ų15180.3 Ų80.371%0.70639%0.39SS*.G310 helixtrans-69.7-21.1178.5-61.573-161.500112.5V17V17-E19 HydrophobicContact CG1-CB 4.31Å; V17-E19 WeakPolarHBondContact CG1-OE2 3.33Å; V17-E19 PolarHBondContact O-N 3.39Å; V17-E19 VanDerWaalsContact O-N 3.12Å
20N93.6Very high93.7Very high85 Ų8583.2 Ų83.246%0.45541%0.409SS..G310 helixtrans-91-4.1180-66.8-11.6000113.1V17 R18 Q22V17-N20 HydrophobicContact CB-CB 4.3Å; V17-N20 WeakPolarHBondContact O-CB 3.36Å; V17-N20 PolarHBondContact O-N 3.04Å; R18-N20 PolarHBondContact O-N 2.8Å; N20-Q22 PolarHBondContact O-N 3.23Å
21T95.3Very high93.9Very high36 Ų3681.7 Ų81.722%0.22140%0.402CS..  trans-62.1125.4177.8-550000110.2F7 Q9 R18 E46F7-T21 HydrophobicContact CB-CG2 3.95Å; F7-T21 HydrophobicContact CD1-CG2 4.21Å; Q9-T21 PolarHBondContact NE2-OG1 3.12Å; R18-T21 PolarHBondContact O-N 2.61Å; R18-T21 PolarHBondContact O-OG1 3.23Å; T21-E46 WeakPolarHBondContact CB-OE1 3.5Å; T21-E46 VanDerWaalsContact CG2-OE1 3.31Å; T21-E46 WeakPolarHBondContact CG2-OE1 3.48Å; T21-E46 PolarHBondContact OG1-OE1 2.82Å
22Q94.7Very high94.2Very high92 Ų9284.8 Ų84.843%0.4342%0.415SS..EExtended strand (participates in β ladder)trans-107.7167174.2-60.6-62.5-77.100110F7 Y8 N20F7-Q22 CarbonylContact C-O 3.55Å; F7-Q22 VanDerWaalsContact CA-O 3.29Å; F7-Q22 WeakPolarHBondContact CA-O 3.26Å; Y8-Q22 HydrophobicContact CD1-CB 4.35Å; Y8-Q22 HydrophobicContact CE1-CB 3.87Å; Y8-Q22 HydrophobicContact CE2-CB 4.29Å; Y8-Q22 PolarHBondContact N-O 3.36Å; Y8-Q22 PolarHBondContact O-N 3.14Å; N20-Q22 PolarHBondContact O-N 3.23Å
23S95Very high94.6Very high52 Ų5279.7 Ų79.736%0.36440%0.398SS..EExtended strand (participates in β ladder)trans-133.1142.9173.565.40000112.5V6V6-S23 CarbonylContact O-C 3.47Å; V6-S23 WeakPolarHBondContact O-CA 3.42Å
24L95.6Very high94.8Very high17 Ų1773.7 Ų73.79%0.08937%0.366CS..EExtended strand (participates in β ladder)trans-133.9166.5170.261.777.5000110.5V6 Y8 V26 L38 F43V6-L24 HydrophobicContact CB-CD1 3.69Å; V6-L24 HydrophobicContact CB-CG 4.12Å; V6-L24 HydrophobicContact CG1-CD1 4.5Å; V6-L24 HydrophobicContact CG2-CD1 3.82Å; V6-L24 PolarHBondContact N-O 2.84Å; V6-L24 PolarHBondContact O-N 3.16Å; Y8-L24 HydrophobicContact CD1-CD2 3.89Å; Y8-L24 HydrophobicContact CD1-CG 3.91Å; Y8-L24 HydrophobicContact CE1-CB 3.93Å; Y8-L24 HydrophobicContact CE1-CD2 3.4Å; Y8-L24 HydrophobicContact CE1-CG 3.56Å; L24-V26 HydrophobicContact CD1-CG2 3.26Å; L24-L38 HydrophobicContact CD1-CD1 4.21Å; L24-L38 HydrophobicContact CD1-CD2 4.37Å; L24-L38 HydrophobicContact CD2-CD2 4.19Å; L24-F43 HydrophobicContact CD2-CD2 4.37Å; L24-F43 HydrophobicContact CD2-CE2 3.81Å
25Y97.1Very high95.1Very high3 Ų373.5 Ų73.51%0.01236%0.36CS..EExtended strand (participates in β ladder)trans-115.9132.4178.7-53.8-84.5000110.5V3 F4 K5 L51 E59 S63 F66 E69V3-Y25 HydrophobicContact CG1-CD1 4.44Å; F4-Y25 CarbonylContact O-C 3.55Å; F4-Y25 VanDerWaalsContact O-CA 3.32Å; F4-Y25 WeakPolarHBondContact O-CA 3.36Å; K5-Y25 HydrophobicContact CB-CD1 4.17Å; K5-Y25 HydrophobicContact CB-CE1 4.15Å; K5-Y25 HydrophobicContact CD-CE1 3.78Å; K5-Y25 HydrophobicContact CG-CD1 4.19Å; K5-Y25 HydrophobicContact CG-CE1 3.81Å; K5-Y25 PolarHBondContact NZ-OH 3.34Å; Y25-L51 HydrophobicContact CD1-CD1 3.85Å; Y25-L51 HydrophobicContact CE1-CD1 3.92Å; Y25-E59 HydrophobicContact CE1-CB 4.3Å; Y25-E59 HydrophobicContact CE1-CG 4.46Å; Y25-E59 PolarHBondContact OH-OE2 2.94Å; Y25-S63 WeakPolarHBondContact OH-CB 3.32Å; Y25-S63 PolarHBondContact OH-OG 3.27Å; Y25-F66 AromaticContact CD1-CD2 3.96Å; Y25-F66 HydrophobicContact CD1-CD2 3.96Å; Y25-F66 AromaticContact CD1-CE2 3.55Å; Y25-F66 HydrophobicContact CD1-CE2 3.55Å; Y25-F66 HydrophobicContact CD1-CZ 4.41Å; Y25-F66 AromaticContact CD2-CD2 3.91Å; Y25-F66 HydrophobicContact CD2-CD2 3.91Å; Y25-F66 HydrophobicContact CD2-CE2 4.26Å; Y25-F66 HydrophobicContact CD2-CG 4.49Å; Y25-F66 AromaticContact CE1-CD2 3.76Å; Y25-F66 HydrophobicContact CE1-CD2 3.76Å; Y25-F66 AromaticContact CE1-CE2 3.62Å; Y25-F66 HydrophobicContact CE1-CE2 3.62Å; Y25-F66 AromaticContact CE2-CD2 3.72Å; Y25-F66 HydrophobicContact CE2-CD2 3.72Å; Y25-F66 HydrophobicContact CE2-CE2 4.32Å; Y25-F66 HydrophobicContact CE2-CG 4.44Å; Y25-F66 HydrophobicContact CG-CD2 4.03Å; Y25-F66 AromaticContact CG-CE2 3.89Å; Y25-F66 HydrophobicContact CG-CE2 3.89Å; Y25-F66 AromaticContact CZ-CD2 3.65Å; Y25-E69 PolarHBondContact O-N 3.39Å
26V96.9Very high95.3Very high0 Ų075.3 Ų75.30%035%0.353CS..EExtended strand (participates in β ladder)trans-128126.1178.7-1730000110.1V3 F4 V6 L24 V34 Y37 L38 E69 A71V3-V26 CarbonylContact C-O 3.59Å; F4-V26 PolarHBondContact N-O 3.47Å; F4-V26 PolarHBondContact O-N 3.32Å; V6-V26 HydrophobicContact CG2-CG2 4.08Å; L24-V26 HydrophobicContact CD1-CG2 3.26Å; V26-V34 HydrophobicContact CB-CG1 4.07Å; V26-V34 HydrophobicContact CB-CG2 4.23Å; V26-V34 HydrophobicContact CG1-CG1 4.29Å; V26-V34 HydrophobicContact CG1-CG2 4.11Å; V26-V34 HydrophobicContact CG2-CG1 4.08Å; V26-Y37 HydrophobicContact CG1-CD1 4.01Å; V26-Y37 HydrophobicContact CG1-CE1 4.4Å; V26-L38 HydrophobicContact CG2-CD1 4.38Å; V26-L38 HydrophobicContact CG2-CD2 4.48Å; V26-E69 CarbonylContact C-O 3.48Å; V26-E69 VanDerWaalsContact CA-O 3.3Å; V26-E69 WeakPolarHBondContact CA-O 3.14Å; V26-A71 HydrophobicContact CG1-CB 3.71Å
27E97.2Very high95.5Very high55 Ų5574.3 Ų74.326%0.25734%0.344SS..EExtended strand (participates in β ladder)trans-83.9121.6167.1-174.2174.1-176.700110.2M1 A2 V68 E69 A71M1-E27 HydrophobicContact CB-CG 3.69Å; M1-E27 WeakPolarHBondContact CB-OE1 3.22Å; M1-E27 VanDerWaalsContact CE-OE1 3.22Å; M1-E27 WeakPolarHBondContact CE-OE1 3.16Å; M1-E27 HydrophobicContact CG-CG 4.25Å; A2-E27 WeakPolarHBondContact O-CA 3.45Å; E27-V68 HydrophobicContact CB-CG1 3.66Å; E27-E69 PolarHBondContact N-O 2.9Å; E27-A71 PolarHBondContact O-N 3.12Å
28A97Very high95.6Very high1 Ų171.7 Ų71.71%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-150.9172-178.300000111.8A2 F4 Q33 V34 A71A2-A28 PolarHBondContact N-O 2.93Å; A2-A28 PolarHBondContact O-N 3.4Å; A2-A28 VanDerWaalsContact O-O 3.11Å; F4-A28 HydrophobicContact CD2-CB 4.03Å; F4-A28 HydrophobicContact CE2-CB 3.97Å; A28-Q33 HydrophobicContact CB-CB 4.19Å; A28-Q33 HydrophobicContact CB-CG 4.31Å; A28-V34 HydrophobicContact CB-CG2 3.46Å; A28-V34 VanDerWaalsContact CB-CG2 3.46Å; A28-A71 HydrophobicContact CB-CB 4.05Å
29Q95.5Very high95.6Very high144 Ų14469.1 Ų69.167%0.67332%0.323SS*.SBendtrans-84.2-38171.9-63.1-175.4-10.500111.9M1M1-Q29 HydrophobicContact CG-CG 4.35Å
30T95.8Very high95.4Very high70 Ų7069.1 Ų69.143%0.42933%0.327SS..SBendtrans-141160.1-176.566.40000111.1E32 Q33 V34T30-E32 PolarHBondContact O-N 3.26Å; T30-Q33 WeakPolarHBondContact O-CB 3.28Å; T30-Q33 PolarHBondContact O-N 3.12Å; T30-Q33 VanDerWaalsContact O-N 3.16Å; T30-Q33 PolarHBondContact OG1-N 3.45Å; T30-V34 PolarHBondContact O-N 3.25Å
31E95.6Very high95.3Very high81 Ų8171.3 Ų71.338%0.37933%0.329SS..Hα-helixtrans-57.5-37.8171.5-176.1-17315100111.7F4 Q33 V34 R35 I48F4-E31 HydrophobicContact CE1-CB 4.44Å; E31-Q33 VanDerWaalsContact C-N 3.29Å; E31-Q33 PolarHBondContact O-N 2.84Å; E31-V34 WeakPolarHBondContact O-CB 3.45Å; E31-V34 PolarHBondContact O-N 3.45Å; E31-V34 VanDerWaalsContact O-N 3.12Å; E31-R35 PolarHBondContact O-N 3.01Å; E31-R35 IonicContact OE1-CZ 3.57Å; E31-R35 VanDerWaalsContact OE1-CZ 3.24Å; E31-R35 IonicContact OE1-NE 3.95Å; E31-R35 PolarHBondContact OE1-NE 2.84Å; E31-R35 IonicContact OE1-NH2 2.65Å; E31-R35 PolarHBondContact OE1-NH2 3.42Å; E31-I48 HydrophobicContact CG-CB 3.89Å; E31-I48 HydrophobicContact CG-CD1 3.71Å; E31-I48 HydrophobicContact CG-CG1 4.39Å; E31-I48 HydrophobicContact CG-CG2 3.88Å
32E95.6Very high95.1Very high109 Ų10972.4 Ų72.451%0.50933%0.334SS..Hα-helixtrans-59.1-41.8177.6-171.9-174-173.600111.7T30 V34 R35 R36T30-E32 PolarHBondContact O-N 3.26Å; E32-V34 VanDerWaalsContact C-N 3.31Å; E32-V34 PolarHBondContact O-N 3.45Å; E32-R35 PolarHBondContact O-N 3.3Å; E32-R36 WeakPolarHBondContact O-CG 3.43Å; E32-R36 PolarHBondContact O-N 2.8Å; E32-R36 IonicContact OE1-CZ 2.6Å; E32-R36 IonicContact OE1-NE 2.61Å; E32-R36 PolarHBondContact OE1-NE 2.8Å; E32-R36 IonicContact OE1-NH2 3.84Å; E32-R36 PolarHBondContact OE1-NH2 2.75Å; E32-R36 IonicContact OE2-NH2 3.2Å
33Q96.6Very high95.1Very high46 Ų4670 Ų7022%0.21532%0.322CS..Hα-helixtrans-63.4-38.9176.8-172-179.118.600111.5A28 T30 E31 R36 Y37 A71A28-Q33 HydrophobicContact CB-CB 4.19Å; A28-Q33 HydrophobicContact CB-CG 4.31Å; T30-Q33 WeakPolarHBondContact O-CB 3.28Å; T30-Q33 PolarHBondContact O-N 3.12Å; T30-Q33 VanDerWaalsContact O-N 3.16Å; T30-Q33 PolarHBondContact OG1-N 3.45Å; E31-Q33 VanDerWaalsContact C-N 3.29Å; E31-Q33 PolarHBondContact O-N 2.84Å; Q33-R36 PolarHBondContact O-N 3.11Å; Q33-Y37 WeakPolarHBondContact O-CB 3.32Å; Q33-Y37 PolarHBondContact O-N 2.91Å; Q33-A71 HydrophobicContact CG-CB 4.09Å; Q33-A71 PolarHBondContact NE2-O 3.48Å
34V97.3Very high95.1Very high0 Ų069.3 Ų69.30%032%0.315CS..Hα-helixtrans-60.2-48.2173.4179.60000111F4 V6 V26 A28 T30 E31 E32 R36 Y37 L38 I48F4-V34 HydrophobicContact CB-CG2 3.99Å; F4-V34 HydrophobicContact CD2-CG2 3.69Å; F4-V34 HydrophobicContact CE2-CG2 4.29Å; F4-V34 HydrophobicContact CG-CG2 3.82Å; V6-V34 HydrophobicContact CG2-CG1 3.54Å; V26-V34 HydrophobicContact CB-CG1 4.07Å; V26-V34 HydrophobicContact CB-CG2 4.23Å; V26-V34 HydrophobicContact CG1-CG1 4.29Å; V26-V34 HydrophobicContact CG1-CG2 4.11Å; V26-V34 HydrophobicContact CG2-CG1 4.08Å; A28-V34 HydrophobicContact CB-CG2 3.46Å; A28-V34 VanDerWaalsContact CB-CG2 3.46Å; T30-V34 PolarHBondContact O-N 3.25Å; E31-V34 WeakPolarHBondContact O-CB 3.45Å; E31-V34 PolarHBondContact O-N 3.45Å; E31-V34 VanDerWaalsContact O-N 3.12Å; E32-V34 VanDerWaalsContact C-N 3.31Å; E32-V34 PolarHBondContact O-N 3.45Å; V34-R36 VanDerWaalsContact C-N 3.34Å; V34-R36 PolarHBondContact O-N 2.96Å; V34-Y37 PolarHBondContact O-N 3.27Å; V34-L38 HydrophobicContact CG1-CD1 3.89Å; V34-L38 HydrophobicContact CG1-CG 4.49Å; V34-L38 WeakPolarHBondContact O-CG 3.23Å; V34-L38 PolarHBondContact O-N 3.26Å; V34-I48 HydrophobicContact CB-CD1 4.29Å; V34-I48 HydrophobicContact CG1-CD1 3.97Å; V34-I48 HydrophobicContact CG1-CG2 4.35Å
35R95.5Very high95.1Very high106 Ų10670.1 Ų70.140%0.432%0.319SS..Hα-helixtrans-62-41179.1-69.3-177.8-179.7-80.5-1.3112.4E31 E32 K39 I48E31-R35 PolarHBondContact O-N 3.01Å; E31-R35 IonicContact OE1-CZ 3.57Å; E31-R35 VanDerWaalsContact OE1-CZ 3.24Å; E31-R35 IonicContact OE1-NE 3.95Å; E31-R35 PolarHBondContact OE1-NE 2.84Å; E31-R35 IonicContact OE1-NH2 2.65Å; E31-R35 PolarHBondContact OE1-NH2 3.42Å; E32-R35 PolarHBondContact O-N 3.3Å; R35-K39 PolarHBondContact O-N 2.75Å; R35-I48 HydrophobicContact CG-CD1 3.42Å; R35-I48 VanDerWaalsContact CG-CD1 3.42Å
36R95.3Very high95Very high165 Ų16572.7 Ų72.762%0.62333%0.331SS*.Hα-helixtrans-64.5-44.4176.5-71.9176.3-176.7-173.20.4111.3E32 Q33 V34 L38 K39E32-R36 WeakPolarHBondContact O-CG 3.43Å; E32-R36 PolarHBondContact O-N 2.8Å; E32-R36 IonicContact OE1-CZ 2.6Å; E32-R36 IonicContact OE1-NE 2.61Å; E32-R36 PolarHBondContact OE1-NE 2.8Å; E32-R36 IonicContact OE1-NH2 3.84Å; E32-R36 PolarHBondContact OE1-NH2 2.75Å; E32-R36 IonicContact OE2-NH2 3.2Å; Q33-R36 PolarHBondContact O-N 3.11Å; V34-R36 VanDerWaalsContact C-N 3.34Å; V34-R36 PolarHBondContact O-N 2.96Å; R36-L38 VanDerWaalsContact C-N 3.35Å; R36-L38 PolarHBondContact O-N 3.32Å; R36-K39 VanDerWaalsContact O-CB 3.26Å; R36-K39 WeakPolarHBondContact O-CB 3.28Å; R36-K39 PolarHBondContact O-N 2.91Å
37Y96.1Very high94.9Very high74 Ų7479.6 Ų79.629%0.2936%0.361SS..Hα-helixtrans-62.3-39.8178.8173.7-106.3000112.7V26 Q33 V34 K39 E69 A71V26-Y37 HydrophobicContact CG1-CD1 4.01Å; V26-Y37 HydrophobicContact CG1-CE1 4.4Å; Q33-Y37 WeakPolarHBondContact O-CB 3.32Å; Q33-Y37 PolarHBondContact O-N 2.91Å; V34-Y37 PolarHBondContact O-N 3.27Å; Y37-K39 VanDerWaalsContact C-N 3.34Å; Y37-E69 HydrophobicContact CE1-CB 4.06Å; Y37-E69 VanDerWaalsContact CE1-OE2 3.26Å; Y37-E69 WeakPolarHBondContact CE1-OE2 3.32Å; Y37-E69 PolarHBondContact OH-OE2 2.89Å; Y37-A71 HydrophobicContact CD1-CB 4.14Å; Y37-A71 HydrophobicContact CD2-CB 4.13Å; Y37-A71 HydrophobicContact CG-CB 3.72Å
38L95.4Very high94.9Very high3 Ų377.8 Ų77.82%0.01635%0.353CS..Hα-helixtrans-84.8-4.9-179.1-64.1177.1000114.3V6 L24 V26 V34 R36 D40 R41 I45V6-L38 HydrophobicContact CB-CD1 4.28Å; V6-L38 HydrophobicContact CG1-CD1 3.79Å; V6-L38 HydrophobicContact CG2-CD1 4.01Å; L24-L38 HydrophobicContact CD1-CD1 4.21Å; L24-L38 HydrophobicContact CD1-CD2 4.37Å; L24-L38 HydrophobicContact CD2-CD2 4.19Å; V26-L38 HydrophobicContact CG2-CD1 4.38Å; V26-L38 HydrophobicContact CG2-CD2 4.48Å; V34-L38 HydrophobicContact CG1-CD1 3.89Å; V34-L38 HydrophobicContact CG1-CG 4.49Å; V34-L38 WeakPolarHBondContact O-CG 3.23Å; V34-L38 PolarHBondContact O-N 3.26Å; R36-L38 VanDerWaalsContact C-N 3.35Å; R36-L38 PolarHBondContact O-N 3.32Å; L38-D40 PolarHBondContact O-N 3.18Å; L38-D40 VanDerWaalsContact O-N 3.16Å; L38-R41 HydrophobicContact CD2-CG 4.43Å; L38-R41 WeakPolarHBondContact O-CB 3.23Å; L38-R41 PolarHBondContact O-N 3.05Å; L38-I45 HydrophobicContact CB-CD1 4.01Å; L38-I45 HydrophobicContact CD1-CD1 4.02Å
39K92Very high94.8Very high161 Ų16180.2 Ų80.270%0.737%0.367SS*.G310 helixtrans-55.4-37.9-171.8-175.2178.3175.8-1750113.4R35 R36 Y37 R41R35-K39 PolarHBondContact O-N 2.75Å; R36-K39 VanDerWaalsContact O-CB 3.26Å; R36-K39 WeakPolarHBondContact O-CB 3.28Å; R36-K39 PolarHBondContact O-N 2.91Å; Y37-K39 VanDerWaalsContact C-N 3.34Å; K39-R41 VanDerWaalsContact C-N 3.29Å; K39-R41 PolarHBondContact O-N 3Å
40D90.5Very high94.9Very high151 Ų15178.1 Ų78.181%0.80736%0.356SS*.G310 helixtrans-83.7-3.4-175-60.8-31.7000113.5L38 N42L38-D40 PolarHBondContact O-N 3.18Å; L38-D40 VanDerWaalsContact O-N 3.16Å; D40-N42 VanDerWaalsContact C-N 3.33Å
41R91.5Very high94.9Very high131 Ų13174.9 Ų74.949%0.49434%0.336SS..G310 helixtrans-83.5-5.2-179.8-59.9-68.4-164.5-157.41.8114L38 K39 F43 E69L38-R41 HydrophobicContact CD2-CG 4.43Å; L38-R41 WeakPolarHBondContact O-CB 3.23Å; L38-R41 PolarHBondContact O-N 3.05Å; K39-R41 VanDerWaalsContact C-N 3.29Å; K39-R41 PolarHBondContact O-N 3Å; R41-F43 HydrophobicContact CB-CD1 3.82Å; R41-F43 HydrophobicContact CB-CD2 3.56Å; R41-F43 HydrophobicContact CB-CE1 3.81Å; R41-F43 HydrophobicContact CB-CE2 3.56Å; R41-F43 HydrophobicContact CB-CG 3.7Å; R41-F43 HydrophobicContact CB-CZ 3.69Å; R41-F43 HydrophobicContact CG-CD2 4.17Å; R41-F43 HydrophobicContact CG-CE2 3.83Å; R41-F43 HydrophobicContact CG-CZ 4.14Å; R41-F43 VanDerWaalsContact O-CD1 3.24Å; R41-F43 WeakPolarHBondContact O-CD1 3.39Å; R41-F43 PolarHBondContact O-N 2.88Å; R41-E69 IonicContact NH2-OE2 3.23Å
42N90.8Very high94.8Very high59 Ų5976.6 Ų76.632%0.31634%0.344SS..THydrogen-bonded Turntrans57.421.1-173-161.848.1000114.9H10 R12 D40H10-N42 VanDerWaalsContact O-O 3.09Å; R12-N42 VanDerWaalsContact CD-OD1 3.22Å; R12-N42 WeakPolarHBondContact CD-OD1 3.34Å; R12-N42 WeakPolarHBondContact CG-OD1 2.99Å; R12-N42 PolarHBondContact N-O 2.98Å; R12-N42 PolarHBondContact NE-OD1 2.88Å; D40-N42 VanDerWaalsContact C-N 3.33Å
43F95Very high94.7Very high42 Ų4273.8 Ų73.818%0.18434%0.344CS..  trans-72.5140.8-179.7-64.6-18.4000112.1Y8 Q9 H10 L24 R41 I45Y8-F43 HydrophobicContact CD2-CB 3.83Å; Y8-F43 AromaticContact CD2-CD1 3.69Å; Y8-F43 HydrophobicContact CD2-CD1 3.69Å; Y8-F43 AromaticContact CD2-CD2 3.49Å; Y8-F43 HydrophobicContact CD2-CD2 3.49Å; Y8-F43 VanDerWaalsContact CD2-CD2 3.49Å; Y8-F43 HydrophobicContact CD2-CE1 4.05Å; Y8-F43 AromaticContact CD2-CE2 3.88Å; Y8-F43 HydrophobicContact CD2-CE2 3.88Å; Y8-F43 AromaticContact CD2-CG 3.39Å; Y8-F43 HydrophobicContact CD2-CG 3.39Å; Y8-F43 HydrophobicContact CD2-CZ 4.13Å; Y8-F43 AromaticContact CE2-CD1 3.76Å; Y8-F43 HydrophobicContact CE2-CD1 3.76Å; Y8-F43 AromaticContact CE2-CD2 3.71Å; Y8-F43 HydrophobicContact CE2-CD2 3.71Å; Y8-F43 AromaticContact CE2-CE1 3.61Å; Y8-F43 HydrophobicContact CE2-CE1 3.61Å; Y8-F43 AromaticContact CE2-CE2 3.57Å; Y8-F43 HydrophobicContact CE2-CE2 3.57Å; Y8-F43 AromaticContact CE2-CG 3.81Å; Y8-F43 HydrophobicContact CE2-CG 3.81Å; Y8-F43 AromaticContact CE2-CZ 3.51Å; Y8-F43 HydrophobicContact CE2-CZ 3.51Å; Y8-F43 HydrophobicContact CG-CB 4.31Å; Y8-F43 AromaticContact CG-CD2 3.97Å; Y8-F43 HydrophobicContact CG-CD2 3.97Å; Y8-F43 HydrophobicContact CG-CE2 4.49Å; Y8-F43 HydrophobicContact CG-CG 4.15Å; Y8-F43 AromaticContact CZ-CE2 3.93Å; Q9-F43 CarbonylContact O-C 3.56Å; Q9-F43 WeakPolarHBondContact O-CA 3.48Å; H10-F43 AromaticContact CD2-CE1 3.79Å; L24-F43 HydrophobicContact CD2-CD2 4.37Å; L24-F43 HydrophobicContact CD2-CE2 3.81Å; R41-F43 HydrophobicContact CB-CD1 3.82Å; R41-F43 HydrophobicContact CB-CD2 3.56Å; R41-F43 HydrophobicContact CB-CE1 3.81Å; R41-F43 HydrophobicContact CB-CE2 3.56Å; R41-F43 HydrophobicContact CB-CG 3.7Å; R41-F43 HydrophobicContact CB-CZ 3.69Å; R41-F43 HydrophobicContact CG-CD2 4.17Å; R41-F43 HydrophobicContact CG-CE2 3.83Å; R41-F43 HydrophobicContact CG-CZ 4.14Å; R41-F43 VanDerWaalsContact O-CD1 3.24Å; R41-F43 WeakPolarHBondContact O-CD1 3.39Å; R41-F43 PolarHBondContact O-N 2.88Å; F43-I45 HydrophobicContact CB-CG1 4.41Å; F43-I45 PolarHBondContact O-N 2.85Å
44N94.6Very high94.6Very high38 Ų3875.6 Ų75.620%0.20337%0.367CS..EExtended strand (participates in β ladder)trans-81.598.8161-1646.8000108.9Y8 Q9 R12 I16 E46Y8-N44 CarbonylContact C-O 3.5Å; Y8-N44 WeakPolarHBondContact CA-O 3.47Å; Y8-N44 WeakPolarHBondContact CB-O 3.24Å; Q9-N44 HydrophobicContact CB-CB 4.21Å; Q9-N44 PolarHBondContact N-O 3.16Å; Q9-N44 PolarHBondContact O-N 2.74Å; R12-N44 HydrophobicContact CB-CB 4.19Å; I16-N44 VanDerWaalsContact CG1-ND2 3.33Å; I16-N44 WeakPolarHBondContact CG1-ND2 3.17Å; N44-E46 PolarHBondContact O-N 3.06Å
45I95.4Very high94.4Very high34 Ų3479.5 Ų79.517%0.17439%0.385CS..EExtended strand (participates in β ladder)trans-79.7112.7179.1-60.9174.2000108.8V6 L38 F43 I48V6-I45 HydrophobicContact CG1-CG1 4.39Å; V6-I45 HydrophobicContact CG1-CG2 3.92Å; L38-I45 HydrophobicContact CB-CD1 4.01Å; L38-I45 HydrophobicContact CD1-CD1 4.02Å; F43-I45 HydrophobicContact CB-CG1 4.41Å; F43-I45 PolarHBondContact O-N 2.85Å; I45-I48 HydrophobicContact CG2-CD1 3.96Å; I45-I48 HydrophobicContact CG2-CG1 3.66Å
46E94.7Very high94.4Very high57 Ų5775.8 Ų75.827%0.26637%0.373SS..EExtended strand (participates in β ladder)trans-81.8-51.3178.3-63.9-172.9-12100111.1F7 Q9 T21 N44F7-E46 HydrophobicContact CB-CB 4.48Å; F7-E46 PolarHBondContact O-N 3.44Å; Q9-E46 VanDerWaalsContact CG-OE1 3.24Å; Q9-E46 WeakPolarHBondContact CG-OE1 3.35Å; Q9-E46 PolarHBondContact NE2-OE1 3.08Å; T21-E46 WeakPolarHBondContact CB-OE1 3.5Å; T21-E46 VanDerWaalsContact CG2-OE1 3.31Å; T21-E46 WeakPolarHBondContact CG2-OE1 3.48Å; T21-E46 PolarHBondContact OG1-OE1 2.82Å; N44-E46 PolarHBondContact O-N 3.06Å
47F95.4Very high94.3Very high144 Ų14471.8 Ų71.863%0.63236%0.364SS*.EExtended strand (participates in β ladder)trans-147144.8-178.2-84-83.4000112.1V6 F7V6-F47 WeakPolarHBondContact CA-O 3.47Å; F7-F47 HydrophobicContact CB-CB 4.35Å; F7-F47 HydrophobicContact CD2-CB 4.05Å; F7-F47 PolarHBondContact N-O 2.92Å; F7-F47 PolarHBondContact O-N 2.83Å
48I97.4Very high94.2Very high18 Ų1874.6 Ų74.69%0.09238%0.375CS..EExtended strand (participates in β ladder)trans-122.5122.6170-57.6174000107.6F4 K5 V6 E31 V34 R35 I45F4-I48 HydrophobicContact CB-CG2 3.89Å; F4-I48 HydrophobicContact CD1-CG2 3.74Å; F4-I48 HydrophobicContact CG-CG2 4.17Å; K5-I48 WeakPolarHBondContact O-CA 3.37Å; V6-I48 HydrophobicContact CG1-CG1 4.13Å; V6-I48 HydrophobicContact CG2-CG1 4.23Å; V6-I48 HydrophobicContact CG2-CG2 4.3Å; E31-I48 HydrophobicContact CG-CB 3.89Å; E31-I48 HydrophobicContact CG-CD1 3.71Å; E31-I48 HydrophobicContact CG-CG1 4.39Å; E31-I48 HydrophobicContact CG-CG2 3.88Å; V34-I48 HydrophobicContact CB-CD1 4.29Å; V34-I48 HydrophobicContact CG1-CD1 3.97Å; V34-I48 HydrophobicContact CG1-CG2 4.35Å; R35-I48 HydrophobicContact CG-CD1 3.42Å; R35-I48 VanDerWaalsContact CG-CD1 3.42Å; I45-I48 HydrophobicContact CG2-CD1 3.96Å; I45-I48 HydrophobicContact CG2-CG1 3.66Å
49T96.1Very high94.1Very high51 Ų5175.2 Ų75.231%0.31338%0.378SS..EExtended strand (participates in β ladder)trans-121.2123.8-177.6-58.30000109.3F4 K5 L51F4-T49 CarbonylContact C-O 3.54Å; F4-T49 VanDerWaalsContact CA-O 3.28Å; F4-T49 WeakPolarHBondContact CA-O 3.44Å; K5-T49 PolarHBondContact N-O 2.6Å; K5-T49 PolarHBondContact O-N 3.18Å; T49-L51 PolarHBondContact O-N 2.65Å
50K96.9Very high94.1Very high100 Ų10072.6 Ų72.644%0.43537%0.366SS..EExtended strand (participates in β ladder)trans-68.5127.8170.7-164.3-173.1-170.7-167.60109.3A2 F4 E52A2-K50 HydrophobicContact CB-CD 4.35Å; A2-K50 HydrophobicContact CB-CG 4.1Å; F4-K50 HydrophobicContact CD1-CB 3.92Å; F4-K50 HydrophobicContact CD1-CG 4.23Å; F4-K50 HydrophobicContact CE1-CB 3.72Å; F4-K50 HydrophobicContact CE1-CD 4.46Å; F4-K50 HydrophobicContact CE1-CG 3.82Å; F4-K50 HydrophobicContact CZ-CB 4.49Å; F4-K50 HydrophobicContact CZ-CG 4.1Å; K50-E52 HydrophobicContact CD-CG 4.11Å; K50-E52 WeakPolarHBondContact CD-OE1 3.45Å; K50-E52 WeakPolarHBondContact CE-OE1 3.13Å; K50-E52 HydrophobicContact CG-CG 4.15Å; K50-E52 IonicContact NZ-OE1 3.24Å; K50-E52 PolarHBondContact NZ-OE1 2.86Å
51L95.5Very high94.2Very high3 Ų373.1 Ų73.12%0.01636%0.364CS..EExtended strand (participates in β ladder)trans-95.3122.8176.2-60.5-176000109.8V3 K5 Y25 T49 H55 L56 E59 F66V3-L51 HydrophobicContact CG1-CD1 4.18Å; V3-L51 PolarHBondContact O-N 2.97Å; K5-L51 HydrophobicContact CB-CD1 4.06Å; K5-L51 HydrophobicContact CB-CD2 3.98Å; K5-L51 HydrophobicContact CB-CG 4.04Å; Y25-L51 HydrophobicContact CD1-CD1 3.85Å; Y25-L51 HydrophobicContact CE1-CD1 3.92Å; T49-L51 PolarHBondContact O-N 2.65Å; L51-H55 WeakPolarHBondContact CD2-CE1 3.32Å; L51-H55 WeakPolarHBondContact CD2-ND1 3.45Å; L51-L56 HydrophobicContact CB-CB 4.01Å; L51-L56 HydrophobicContact CB-CD1 3.9Å; L51-L56 HydrophobicContact CD1-CD1 4.12Å; L51-E59 HydrophobicContact CD1-CB 4.12Å; L51-E59 HydrophobicContact CD1-CG 3.91Å; L51-E59 HydrophobicContact CD2-CG 4.27Å; L51-F66 HydrophobicContact CD1-CE2 4.36Å
52E93.7Very high94.2Very high117 Ų11771.1 Ų71.155%0.54736%0.363SS..  trans-141.3152178.7-63.3-170.3146.900111.3K50 A54 H55K50-E52 HydrophobicContact CD-CG 4.11Å; K50-E52 WeakPolarHBondContact CD-OE1 3.45Å; K50-E52 WeakPolarHBondContact CE-OE1 3.13Å; K50-E52 HydrophobicContact CG-CG 4.15Å; K50-E52 IonicContact NZ-OE1 3.24Å; K50-E52 PolarHBondContact NZ-OE1 2.86Å; E52-A54 PolarHBondContact O-N 3.37Å; E52-H55 PolarHBondContact O-N 3.34Å
53G93.5Very high94.1Very high49 Ų4969.8 Ų69.851%0.50536%0.358SS..Hα-helixtrans51.8-13417700000113H55 L56 D57G53-H55 PolarHBondContact O-N 3.31Å; G53-H55 VanDerWaalsContact O-N 3.08Å; G53-L56 WeakPolarHBondContact O-CB 3.22Å; G53-L56 PolarHBondContact O-N 2.8Å; G53-D57 PolarHBondContact O-N 2.79Å; G53-D57 VanDerWaalsContact O-N 3.12Å
54A94.2Very high93.5Very high84 Ų8476.4 Ų76.469%0.69439%0.39SS*.Hα-helixtrans-56.1-28.7-177.200000114.2E52 Y58E52-A54 PolarHBondContact O-N 3.37Å; A54-Y58 VanDerWaalsContact O-CB 3.28Å; A54-Y58 WeakPolarHBondContact O-CB 3.29Å; A54-Y58 PolarHBondContact O-N 3.42Å
55H93Very high93Very high82 Ų8281.1 Ų81.138%0.3841%0.411SS..Hα-helixtrans-70.9-41.2177.4-171.4-168.5000111.3L51 E52 G53 E59L51-H55 WeakPolarHBondContact CD2-CE1 3.32Å; L51-H55 WeakPolarHBondContact CD2-ND1 3.45Å; E52-H55 PolarHBondContact O-N 3.34Å; G53-H55 PolarHBondContact O-N 3.31Å; G53-H55 VanDerWaalsContact O-N 3.08Å; H55-E59 IonicContact NE2-OE1 2.75Å; H55-E59 VanDerWaalsContact O-CG 3.23Å; H55-E59 WeakPolarHBondContact O-CG 3.31Å; H55-E59 PolarHBondContact O-N 3.38Å; H55-E59 VanDerWaalsContact O-N 3.11Å
56L94.5Very high92.8Very high29 Ų2981.6 Ų81.615%0.15241%0.412CS..Hα-helixtrans-65.8-41.1175.517860000111.6V3 L51 G53 E59 K60 F66V3-L56 HydrophobicContact CB-CD1 4.02Å; V3-L56 HydrophobicContact CG1-CD1 4.36Å; V3-L56 HydrophobicContact CG2-CD1 4.25Å; L51-L56 HydrophobicContact CB-CB 4.01Å; L51-L56 HydrophobicContact CB-CD1 3.9Å; L51-L56 HydrophobicContact CD1-CD1 4.12Å; G53-L56 WeakPolarHBondContact O-CB 3.22Å; G53-L56 PolarHBondContact O-N 2.8Å; L56-E59 PolarHBondContact O-N 2.88Å; L56-K60 HydrophobicContact CG-CD 4.34Å; L56-K60 WeakPolarHBondContact O-CG 3.43Å; L56-K60 PolarHBondContact O-N 2.77Å; L56-K60 VanDerWaalsContact O-N 3.08Å; L56-F66 HydrophobicContact CD1-CE2 4.45Å; L56-F66 HydrophobicContact CD1-CZ 3.85Å
57D93.8Very high92.6Very high80 Ų8084.7 Ų84.743%0.42843%0.43SS..Hα-helixtrans-65.8-43.6179.4-61.8-29.3000110.8G53 E59 K60 E61G53-D57 PolarHBondContact O-N 2.79Å; G53-D57 VanDerWaalsContact O-N 3.12Å; D57-E59 VanDerWaalsContact C-N 3.35Å; D57-E59 PolarHBondContact O-N 2.89Å; D57-K60 PolarHBondContact O-N 2.91Å; D57-E61 WeakPolarHBondContact O-CG 3.33Å; D57-E61 PolarHBondContact O-N 3.28Å
58Y94.9Very high92.6Very high134 Ų13480.3 Ų80.353%0.52542%0.415SS..Hα-helixtrans-56.2-47.4173.9178-96.9000112.2A54 K60 E61 N62A54-Y58 VanDerWaalsContact O-CB 3.28Å; A54-Y58 WeakPolarHBondContact O-CB 3.29Å; A54-Y58 PolarHBondContact O-N 3.42Å; Y58-K60 VanDerWaalsContact C-N 3.33Å; Y58-K60 PolarHBondContact O-N 3.21Å; Y58-E61 PolarHBondContact O-N 3.05Å; Y58-N62 HydrophobicContact CD2-CB 4.49Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.24Å; Y58-N62 HydrophobicContact CE1-CB 4.29Å; Y58-N62 HydrophobicContact CE2-CB 4.09Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.42Å; Y58-N62 VanDerWaalsContact O-CB 3.32Å; Y58-N62 WeakPolarHBondContact O-CB 3.49Å; Y58-N62 PolarHBondContact O-N 2.97Å; Y58-N62 PolarHBondContact O-ND2 3.43Å
59E93.4Very high92.5Very high16 Ų1682.4 Ų82.48%0.07542%0.424CS..Hα-helixtrans-64.6-37.4-179.4-67.9-73.9-179.200112.1K5 Y25 L51 H55 L56 D57 S63 F66K5-E59 WeakPolarHBondContact CD-OE1 3.3Å; K5-E59 IonicContact NZ-OE1 2.88Å; K5-E59 PolarHBondContact NZ-OE1 2.97Å; K5-E59 IonicContact NZ-OE2 2.74Å; K5-E59 PolarHBondContact NZ-OE2 3.46Å; Y25-E59 HydrophobicContact CE1-CB 4.3Å; Y25-E59 HydrophobicContact CE1-CG 4.46Å; Y25-E59 PolarHBondContact OH-OE2 2.94Å; L51-E59 HydrophobicContact CD1-CB 4.12Å; L51-E59 HydrophobicContact CD1-CG 3.91Å; L51-E59 HydrophobicContact CD2-CG 4.27Å; H55-E59 IonicContact NE2-OE1 2.75Å; H55-E59 VanDerWaalsContact O-CG 3.23Å; H55-E59 WeakPolarHBondContact O-CG 3.31Å; H55-E59 PolarHBondContact O-N 3.38Å; H55-E59 VanDerWaalsContact O-N 3.11Å; L56-E59 PolarHBondContact O-N 2.88Å; D57-E59 VanDerWaalsContact C-N 3.35Å; D57-E59 PolarHBondContact O-N 2.89Å; E59-S63 WeakPolarHBondContact O-CB 3.41Å; E59-S63 PolarHBondContact O-N 2.61Å; E59-F66 HydrophobicContact CB-CD2 4.04Å; E59-F66 HydrophobicContact CB-CE2 3.79Å
60K91.7Very high92.4Very high105 Ų10584 Ų8446%0.45743%0.43SS..Hα-helixtrans-65.7-37.8175.5-73.6169.2-179.71700112.9L56 D57 Y58 F66L56-K60 HydrophobicContact CG-CD 4.34Å; L56-K60 WeakPolarHBondContact O-CG 3.43Å; L56-K60 PolarHBondContact O-N 2.77Å; L56-K60 VanDerWaalsContact O-N 3.08Å; D57-K60 PolarHBondContact O-N 2.91Å; Y58-K60 VanDerWaalsContact C-N 3.33Å; Y58-K60 PolarHBondContact O-N 3.21Å; K60-F66 HydrophobicContact CG-CD1 3.88Å; K60-F66 HydrophobicContact CG-CE1 3.52Å; K60-F66 HydrophobicContact CG-CE2 4.26Å; K60-F66 HydrophobicContact CG-CG 4.4Å; K60-F66 HydrophobicContact CG-CZ 3.73Å
61E92.5Very high92.1Very high162 Ų16279.6 Ų79.676%0.75741%0.412SS*.Hα-helixtrans-82.5-32.8-176.3-71.4178.5179.200112.8D57 Y58D57-E61 WeakPolarHBondContact O-CG 3.33Å; D57-E61 PolarHBondContact O-N 3.28Å; Y58-E61 PolarHBondContact O-N 3.05Å
62N92.1Very high91.5Very high89 Ų8990.5 Ų90.548%0.47646%0.459SS..Hα-helixtrans-111.5-13.2-168.2-62.8-92000113.7Y58Y58-N62 HydrophobicContact CD2-CB 4.49Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.24Å; Y58-N62 HydrophobicContact CE1-CB 4.29Å; Y58-N62 HydrophobicContact CE2-CB 4.09Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.42Å; Y58-N62 VanDerWaalsContact O-CB 3.32Å; Y58-N62 WeakPolarHBondContact O-CB 3.49Å; Y58-N62 PolarHBondContact O-N 2.97Å; Y58-N62 PolarHBondContact O-ND2 3.43Å
63S87.2Confident91.4Very high31 Ų3189.2 Ų89.222%0.21746%0.455CS..  trans-90.4110.9177.2-160.90000110.5Y25 E59 H65 F66Y25-S63 WeakPolarHBondContact OH-CB 3.32Å; Y25-S63 PolarHBondContact OH-OG 3.27Å; E59-S63 WeakPolarHBondContact O-CB 3.41Å; E59-S63 PolarHBondContact O-N 2.61Å; S63-H65 PolarHBondContact O-N 3.18Å; S63-F66 PolarHBondContact O-N 2.8Å
64E83.2Confident91.3Very high181 Ų18191.3 Ų91.385%0.84645%0.452SS*.THydrogen-bonded Turntrans-56-24.2175.8-64.5-176.3172.400113
65H84.3Confident91.1Very high138 Ų13891.7 Ų91.764%0.63944%0.439SS*.THydrogen-bonded Turntrans-123.245.6-177.5-60-42.7000111.9S63 N67S63-H65 PolarHBondContact O-N 3.18Å; H65-N67 PolarHBondContact O-N 3.39Å
66F90.2Very high91Very high44 Ų4492.3 Ų92.319%0.19344%0.443CS..  trans-71.668.9171.4-162.2-97.3000111.9V3 Y25 L51 L56 E59 K60 S63 V68V3-F66 HydrophobicContact CG1-CZ 4.19Å; Y25-F66 AromaticContact CD1-CD2 3.96Å; Y25-F66 HydrophobicContact CD1-CD2 3.96Å; Y25-F66 AromaticContact CD1-CE2 3.55Å; Y25-F66 HydrophobicContact CD1-CE2 3.55Å; Y25-F66 HydrophobicContact CD1-CZ 4.41Å; Y25-F66 AromaticContact CD2-CD2 3.91Å; Y25-F66 HydrophobicContact CD2-CD2 3.91Å; Y25-F66 HydrophobicContact CD2-CE2 4.26Å; Y25-F66 HydrophobicContact CD2-CG 4.49Å; Y25-F66 AromaticContact CE1-CD2 3.76Å; Y25-F66 HydrophobicContact CE1-CD2 3.76Å; Y25-F66 AromaticContact CE1-CE2 3.62Å; Y25-F66 HydrophobicContact CE1-CE2 3.62Å; Y25-F66 AromaticContact CE2-CD2 3.72Å; Y25-F66 HydrophobicContact CE2-CD2 3.72Å; Y25-F66 HydrophobicContact CE2-CE2 4.32Å; Y25-F66 HydrophobicContact CE2-CG 4.44Å; Y25-F66 HydrophobicContact CG-CD2 4.03Å; Y25-F66 AromaticContact CG-CE2 3.89Å; Y25-F66 HydrophobicContact CG-CE2 3.89Å; Y25-F66 AromaticContact CZ-CD2 3.65Å; L51-F66 HydrophobicContact CD1-CE2 4.36Å; L56-F66 HydrophobicContact CD1-CE2 4.45Å; L56-F66 HydrophobicContact CD1-CZ 3.85Å; E59-F66 HydrophobicContact CB-CD2 4.04Å; E59-F66 HydrophobicContact CB-CE2 3.79Å; K60-F66 HydrophobicContact CG-CD1 3.88Å; K60-F66 HydrophobicContact CG-CE1 3.52Å; K60-F66 HydrophobicContact CG-CE2 4.26Å; K60-F66 HydrophobicContact CG-CG 4.4Å; K60-F66 HydrophobicContact CG-CZ 3.73Å; S63-F66 PolarHBondContact O-N 2.8Å; F66-V68 HydrophobicContact CD1-CG2 4.01Å; F66-V68 HydrophobicContact CE1-CG2 3.43Å; F66-V68 VanDerWaalsContact CE1-CG2 3.43Å; F66-V68 HydrophobicContact CZ-CG2 3.83Å
67N92Very high90.8Very high122 Ų12296.3 Ų96.365%0.65246%0.461SS*.  trans-101.9115.4174.5-69.7-42.1000109.3H65H65-N67 PolarHBondContact O-N 3.39Å
68V94.2Very high90.6Very high52 Ų5297.3 Ų97.332%0.31546%0.463SS..EExtended strand (participates in β ladder)trans-95.5118.1-177.7-174.20000109.9V3 E27 F66V3-V68 HydrophobicContact CG1-CG1 4.35Å; V3-V68 HydrophobicContact CG1-CG2 4.29Å; V3-V68 HydrophobicContact CG2-CG1 4.36Å; E27-V68 HydrophobicContact CB-CG1 3.66Å; F66-V68 HydrophobicContact CD1-CG2 4.01Å; F66-V68 HydrophobicContact CE1-CG2 3.43Å; F66-V68 VanDerWaalsContact CE1-CG2 3.43Å; F66-V68 HydrophobicContact CZ-CG2 3.83Å
69E95Very high90.3Very high62 Ų6294.7 Ų94.729%0.2946%0.458SS..EExtended strand (participates in β ladder)trans-82.4143.4169.6-64.3-171.6-149.300110.3Y25 V26 E27 Y37 R41Y25-E69 PolarHBondContact O-N 3.39Å; V26-E69 CarbonylContact C-O 3.48Å; V26-E69 VanDerWaalsContact CA-O 3.3Å; V26-E69 WeakPolarHBondContact CA-O 3.14Å; E27-E69 PolarHBondContact N-O 2.9Å; Y37-E69 HydrophobicContact CE1-CB 4.06Å; Y37-E69 VanDerWaalsContact CE1-OE2 3.26Å; Y37-E69 WeakPolarHBondContact CE1-OE2 3.32Å; Y37-E69 PolarHBondContact OH-OE2 2.89Å; R41-E69 IonicContact NH2-OE2 3.23Å
70I94.4Very high90.1Very high85 Ų85100.8 Ų100.844%0.43649%0.488SS..EExtended strand (participates in β ladder)trans-100.6114.7179.8-55.5173.7000108.9K72I70-K72 HydrophobicContact CG2-CG 3.88Å; I70-K72 PolarHBondContact O-N 3.18Å; I70-K72 VanDerWaalsContact O-N 3.14Å
71A91.6Very high89.9Confident7 Ų7100.4 Ų100.46%0.05849%0.491CS..  trans-75.799.5171.400000109.5V26 E27 A28 Q33 Y37V26-A71 HydrophobicContact CG1-CB 3.71Å; E27-A71 PolarHBondContact O-N 3.12Å; A28-A71 HydrophobicContact CB-CB 4.05Å; Q33-A71 HydrophobicContact CG-CB 4.09Å; Q33-A71 PolarHBondContact NE2-O 3.48Å; Y37-A71 HydrophobicContact CD1-CB 4.14Å; Y37-A71 HydrophobicContact CD2-CB 4.13Å; Y37-A71 HydrophobicContact CG-CB 3.72Å
72K82.6Confident89.7Confident232 Ų23294.8 Ų94.8100%1.00947%0.466SS*.  trans-92.10176.2-68.7-176.7-180176.30111.5I70I70-K72 HydrophobicContact CG2-CG 3.88Å; I70-K72 PolarHBondContact O-N 3.18Å; I70-K72 VanDerWaalsContact O-N 3.14Å

Retrieved 72 of 72 residues in 243.8 ms (Link to these results)

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