A0A060Y082_ONCMY Loading...

Cysteine-rich protein 2-like

AlphaFold DB , UniProt , Accession A0A060Y082, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110522544, Length 207 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
1M64.4Low85.6Confident242 Ų24287.1 Ų87.1100%1.19246%0.462SS*.  0154.80-65.2173.6179.500108.4
2A75.3Confident86Confident65 Ų6580.4 Ų80.454%0.53743%0.427SS..  trans-96127.6175.100000110.2T11A2-T11 HydrophobicContact CB-CG2 4.19Å
3S85.8Confident86.2Confident47 Ų4786 Ų8633%0.32944%0.44SS..  trans-70.3152.1176.6-49.20000111.2T11 V12 D24S3-T11 WeakPolarHBondContact O-CA 3.33Å; S3-V12 PolarHBondContact O-N 2.61Å; S3-D24 WeakPolarHBondContact CB-OD2 3.3Å; S3-D24 PolarHBondContact OG-OD2 2.88Å
4K90.1Very high86.1Confident146 Ų14692.4 Ų92.464%0.63546%0.464SS*.BIsolated β-bridgetrans-107.1141.7174.2-60.9-176.9-178-177.60110.3
5C90.8Very high86.1Confident0 Ų093.3 Ų93.30%049%0.491CS..  trans-80.8120.8177178.90000110.7K7 C8 D9 K10 V12 D24 H26 C29C5-K7 PolarHBondContact O-N 3.46Å; C5-C8 PolarHBondContact O-N 3.17Å; C5-C8 VanDerWaalsContact O-N 3.17Å; C5-D9 WeakPolarHBondContact O-CA 3.4Å; C5-D9 PolarHBondContact O-N 2.84Å; C5-K10 PolarHBondContact N-O 2.64Å; C5-V12 HydrophobicContact CB-CG2 3.68Å; C5-D24 WeakPolarHBondContact CA-O 3.4Å; C5-H26 WeakPolarHBondContact CB-CE1 3.16Å; C5-H26 WeakPolarHBondContact CB-ND1 3.43Å; C5-H26 PolarHBondContact SG-ND1 2.97Å; C5-C29 VanDerWaalsContact SG-CB 3.51Å
6P88Confident86.1Confident40 Ų4093 Ų9326%0.2649%0.486SS..THydrogen-bonded Turntrans-69.9-4.2-174.828.9-36.2000115K23 W25P6-K23 HydrophobicContact CG-CD 4.28Å; P6-W25 HydrophobicContact CG-CD2 3.99Å; P6-W25 HydrophobicContact CG-CE3 3.92Å; P6-W25 HydrophobicContact CG-CH2 3.59Å; P6-W25 HydrophobicContact CG-CZ2 3.64Å; P6-W25 HydrophobicContact CG-CZ3 3.71Å
7K88.4Confident86.2Confident55 Ų5592.1 Ų92.124%0.23948%0.478CS..THydrogen-bonded Turntrans-97.9-11174.3-160.1173.6-175.899.10114.2C5 W25 C29 E33C5-K7 PolarHBondContact O-N 3.46Å; K7-W25 HydrophobicContact CB-CE3 4.41Å; K7-W25 HydrophobicContact CB-CZ3 4.08Å; K7-C29 HydrophobicContact CB-CB 4.3Å; K7-C29 VanDerWaalsContact CD-O 3.24Å; K7-C29 WeakPolarHBondContact CD-O 3.19Å; K7-E33 IonicContact NZ-OE2 2.67Å; K7-E33 PolarHBondContact NZ-OE2 2.97Å
8C89.3Confident86.4Confident40 Ų4088.4 Ų88.427%0.2746%0.46SS..THydrogen-bonded Turntrans-152.24.3-175.570.20000115.4C5 K10C5-C8 PolarHBondContact O-N 3.17Å; C5-C8 VanDerWaalsContact O-N 3.17Å; C8-K10 WeakPolarHBondContact O-CG 3.48Å; C8-K10 PolarHBondContact O-N 2.85Å
9D88.3Confident86.5Confident123 Ų12387.9 Ų87.966%0.65846%0.461SS*.  trans56.1-5.7178.4-62.4-67.7000117.6C5C5-D9 WeakPolarHBondContact O-CA 3.4Å; C5-D9 PolarHBondContact O-N 2.84Å
10K90.5Very high86.3Confident148 Ų14883.9 Ų83.964%0.64344%0.44SS*.  trans-66.2147.3174.3-68.3166.2-172.5-178.60110.8C5 C8C5-K10 PolarHBondContact N-O 2.64Å; C8-K10 WeakPolarHBondContact O-CG 3.48Å; C8-K10 PolarHBondContact O-N 2.85Å
11T91Very high86.2Confident52 Ų5284.9 Ų84.932%0.31945%0.446SS..BIsolated β-bridgetrans-60.1141.4172.240.70000111.2A2 S3 Y13 H26A2-T11 HydrophobicContact CB-CG2 4.19Å; S3-T11 WeakPolarHBondContact O-CA 3.33Å; T11-Y13 WeakPolarHBondContact OG1-CE2 3.32Å; T11-Y13 PolarHBondContact OG1-OH 3.29Å; T11-H26 PolarHBondContact O-NE2 2.93Å
12V90.6Very high87.1Confident7 Ų777.1 Ų77.14%0.04243%0.427CS..  trans-104.5111.7177.6-158.80000108.7S3 C5 K17 D24S3-V12 PolarHBondContact O-N 2.61Å; C5-V12 HydrophobicContact CB-CG2 3.68Å; V12-K17 HydrophobicContact CB-CB 4.41Å; V12-K17 VanDerWaalsContact CG1-CA 3.49Å; V12-K17 HydrophobicContact CG1-CB 3.51Å; V12-D24 HydrophobicContact CB-CB 4.31Å; V12-D24 HydrophobicContact CG2-CB 4.29Å
13Y88.3Confident87.7Confident153 Ų15378.2 Ų78.260%0.642%0.42SS*.  trans-84.5154.2178.6-63.9-83.6000111.1T11 A15 E16 K17T11-Y13 WeakPolarHBondContact OG1-CE2 3.32Å; T11-Y13 PolarHBondContact OG1-OH 3.29Å; Y13-A15 PolarHBondContact O-N 2.59Å; Y13-E16 PolarHBondContact O-N 2.85Å; Y13-K17 PolarHBondContact O-N 3.19Å; Y13-K17 VanDerWaalsContact O-N 3.14Å
14F84.6Confident88Confident176 Ų17677 Ų7777%0.77241%0.41SS*.THydrogen-bonded Turntrans-56.2-25.2-173.3-85.2-103.2000114.8K17F14-K17 HydrophobicContact CD1-CD 4.44Å
15A86.3Confident88Confident105 Ų10570 Ų7087%0.86838%0.379SS*.THydrogen-bonded Turntrans-74.2-26178.500000114.4Y13Y13-A15 PolarHBondContact O-N 2.59Å
16E85.7Confident88.1Confident89 Ų8970.9 Ų70.942%0.41638%0.383SS..THydrogen-bonded Turntrans-117.1-4-175.3-66-159.7118.700114.2Y13 H26 K27Y13-E16 PolarHBondContact O-N 2.85Å; E16-H26 IonicContact OE2-CD2 3.74Å; E16-K27 PolarHBondContact O-N 3.23Å
17K88.1Confident88.1Confident78 Ų7875.8 Ų75.834%0.33940%0.401SS..EExtended strand (participates in β ladder)trans-69.5134.5-173.677.1174.5-170.8168.20112.5V12 Y13 F14V12-K17 HydrophobicContact CB-CB 4.41Å; V12-K17 VanDerWaalsContact CG1-CA 3.49Å; V12-K17 HydrophobicContact CG1-CB 3.51Å; Y13-K17 PolarHBondContact O-N 3.19Å; Y13-K17 VanDerWaalsContact O-N 3.14Å; F14-K17 HydrophobicContact CD1-CD 4.44Å
18V89.5Confident88.1Confident26 Ų2680.7 Ų80.716%0.15842%0.422CS..EExtended strand (participates in β ladder)trans-125.9103.3174.3-178.10000106.7W25 K27 L30 P41V18-W25 PolarHBondContact N-O 3.35Å; V18-W25 PolarHBondContact O-N 3.18Å; V18-K27 HydrophobicContact CG2-CB 4.01Å; V18-K27 HydrophobicContact CG2-CG 4.42Å; V18-L30 HydrophobicContact CG1-CD2 3.78Å; V18-P41 HydrophobicContact CG1-CB 3.68Å; V18-P41 HydrophobicContact CG1-CG 3.98Å
19T88.4Confident88.1Confident79 Ų7979.9 Ų79.949%0.48542%0.417SS..EExtended strand (participates in β ladder)trans-82.6127.4-178.1-45.20000110.3K23 D24T19-K23 CarbonylContact C-O 3.58Å; T19-K23 WeakPolarHBondContact CA-O 3.29Å; T19-D24 WeakPolarHBondContact CB-OD1 3.47Å; T19-D24 WeakPolarHBondContact CG2-OD1 3.3Å; T19-D24 PolarHBondContact OG1-OD1 3.32Å
20S83.6Confident88.2Confident6 Ų674.1 Ų74.14%0.04239%0.386CS..EExtended strand (participates in β ladder)trans-155.7138.7177.640.50000112G22 K23 W25 H44S20-G22 PolarHBondContact O-N 2.91Å; S20-G22 VanDerWaalsContact O-N 3.17Å; S20-K23 PolarHBondContact N-O 3.05Å; S20-K23 PolarHBondContact O-N 2.83Å; S20-K23 VanDerWaalsContact O-O 3.07Å; S20-W25 PolarHBondContact OG-NE1 3.16Å; S20-H44 WeakPolarHBondContact CB-CE1 3.26Å; S20-H44 PolarHBondContact OG-CE1 2.76Å; S20-H44 PolarHBondContact OG-NE2 3.37Å
21L82.7Confident88.3Confident106 Ų10671.3 Ų71.356%0.55537%0.374SS*.THydrogen-bonded Turntrans5332.2-177-57.8173.6000113.3K23 E46L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 3.17Å; L21-E46 HydrophobicContact CD1-CB 4.08Å
22G84.7Confident88.3Confident78 Ų7868.8 Ų68.880%0.80436%0.358SS*.THydrogen-bonded Turntrans79.22.8-177.500000115.6S20S20-G22 PolarHBondContact O-N 2.91Å; S20-G22 VanDerWaalsContact O-N 3.17Å
23K87.8Confident88.3Confident88 Ų8873 Ų7338%0.38338%0.378SS..EExtended strand (participates in β ladder)trans-116149.7179.5-55-176.4-166.6172.30111P6 T19 S20 L21 E46P6-K23 HydrophobicContact CG-CD 4.28Å; T19-K23 CarbonylContact C-O 3.58Å; T19-K23 WeakPolarHBondContact CA-O 3.29Å; S20-K23 PolarHBondContact N-O 3.05Å; S20-K23 PolarHBondContact O-N 2.83Å; S20-K23 VanDerWaalsContact O-O 3.07Å; L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 3.17Å; K23-E46 WeakPolarHBondContact CD-OE2 3.47Å; K23-E46 VanDerWaalsContact CE-OE2 3.3Å; K23-E46 WeakPolarHBondContact CE-OE2 3.24Å; K23-E46 IonicContact NZ-OE1 2.64Å; K23-E46 PolarHBondContact NZ-OE1 3.47Å; K23-E46 IonicContact NZ-OE2 2.88Å; K23-E46 PolarHBondContact NZ-OE2 2.79Å
24D91.2Very high88.3Confident21 Ų2172.4 Ų72.411%0.11237%0.374CS..EExtended strand (participates in β ladder)trans-97.9133.6174.6-74.8-42.7000110.8S3 C5 V12 T19S3-D24 WeakPolarHBondContact CB-OD2 3.3Å; S3-D24 PolarHBondContact OG-OD2 2.88Å; C5-D24 WeakPolarHBondContact CA-O 3.4Å; V12-D24 HydrophobicContact CB-CB 4.31Å; V12-D24 HydrophobicContact CG2-CB 4.29Å; T19-D24 WeakPolarHBondContact CB-OD1 3.47Å; T19-D24 WeakPolarHBondContact CG2-OD1 3.3Å; T19-D24 PolarHBondContact OG1-OD1 3.32Å
25W91.5Very high88.5Confident0 Ų066.9 Ų66.90%036%0.357CS..EExtended strand (participates in β ladder)trans-125.4152.5-178.8-55.275000109.9P6 K7 V18 S20 L30 E46 G49 P51P6-W25 HydrophobicContact CG-CD2 3.99Å; P6-W25 HydrophobicContact CG-CE3 3.92Å; P6-W25 HydrophobicContact CG-CH2 3.59Å; P6-W25 HydrophobicContact CG-CZ2 3.64Å; P6-W25 HydrophobicContact CG-CZ3 3.71Å; K7-W25 HydrophobicContact CB-CE3 4.41Å; K7-W25 HydrophobicContact CB-CZ3 4.08Å; V18-W25 PolarHBondContact N-O 3.35Å; V18-W25 PolarHBondContact O-N 3.18Å; S20-W25 PolarHBondContact OG-NE1 3.16Å; W25-L30 HydrophobicContact CB-CB 4.43Å; W25-L30 HydrophobicContact CB-CD1 3.94Å; W25-L30 HydrophobicContact CD2-CD1 3.58Å; W25-L30 HydrophobicContact CE3-CD1 3.97Å; W25-L30 HydrophobicContact CG-CD1 3.58Å; W25-E46 HydrophobicContact CH2-CG 3.94Å; W25-E46 HydrophobicContact CZ2-CG 3.94Å; W25-G49 WeakPolarHBondContact CH2-O 3.07Å; W25-G49 VanDerWaalsContact CZ3-O 3.3Å; W25-G49 WeakPolarHBondContact CZ3-O 3.43Å; W25-P51 HydrophobicContact CE3-CG 4.29Å; W25-P51 HydrophobicContact CH2-CB 3.96Å; W25-P51 HydrophobicContact CH2-CG 4.06Å; W25-P51 HydrophobicContact CZ3-CB 4.08Å; W25-P51 HydrophobicContact CZ3-CG 3.68Å
26H91.3Very high88.6Confident19 Ų1967.3 Ų67.39%0.08834%0.344CS..EExtended strand (participates in β ladder)trans-73.2144.9163.7-50.988000110.1C5 T11 E16 F28 C29 L30C5-H26 WeakPolarHBondContact CB-CE1 3.16Å; C5-H26 WeakPolarHBondContact CB-ND1 3.43Å; C5-H26 PolarHBondContact SG-ND1 2.97Å; T11-H26 PolarHBondContact O-NE2 2.93Å; E16-H26 IonicContact OE2-CD2 3.74Å; H26-F28 PolarHBondContact O-N 2.79Å; H26-C29 HydrophobicContact CB-CB 4.11Å; H26-C29 PolarHBondContact O-N 2.95Å; H26-L30 PolarHBondContact O-N 3.26Å; H26-L30 VanDerWaalsContact O-N 3.16Å
27K88.1Confident88.7Confident143 Ų14369.6 Ų69.662%0.62235%0.353SS*.THydrogen-bonded Turntrans-49.2-31.8175.8-167.8176.5-178.3-179.90114.7E16 V18E16-K27 PolarHBondContact O-N 3.23Å; V18-K27 HydrophobicContact CG2-CB 4.01Å; V18-K27 HydrophobicContact CG2-CG 4.42Å
28F88.4Confident88.8Confident158 Ų15870.6 Ų70.669%0.69337%0.366SS*.THydrogen-bonded Turntrans-90.6-18.1176.6-61.1-76000114.7H26H26-F28 PolarHBondContact O-N 2.79Å
29C90.5Very high88.8Confident23 Ų2370.1 Ų70.116%0.15536%0.362CS..THydrogen-bonded Turntrans-81.1-24.7175.1-720000112.1C5 K7 H26 K31C5-C29 VanDerWaalsContact SG-CB 3.51Å; K7-C29 HydrophobicContact CB-CB 4.3Å; K7-C29 VanDerWaalsContact CD-O 3.24Å; K7-C29 WeakPolarHBondContact CD-O 3.19Å; H26-C29 HydrophobicContact CB-CB 4.11Å; H26-C29 PolarHBondContact O-N 2.95Å; C29-K31 PolarHBondContact O-N 3.14Å
30L90.5Very high88.6Confident2 Ų272.3 Ų72.31%0.0137%0.371CS..  trans-76.258.1177.6-155.175.5000112.4V18 W25 H26 L39 P51V18-L30 HydrophobicContact CG1-CD2 3.78Å; W25-L30 HydrophobicContact CB-CB 4.43Å; W25-L30 HydrophobicContact CB-CD1 3.94Å; W25-L30 HydrophobicContact CD2-CD1 3.58Å; W25-L30 HydrophobicContact CE3-CD1 3.97Å; W25-L30 HydrophobicContact CG-CD1 3.58Å; H26-L30 PolarHBondContact O-N 3.26Å; H26-L30 VanDerWaalsContact O-N 3.16Å; L30-L39 HydrophobicContact CD2-CB 4.45Å; L30-L39 WeakPolarHBondContact CD2-O 3.38Å; L30-L39 HydrophobicContact CG-CB 4.2Å; L30-L39 WeakPolarHBondContact O-CB 3.39Å; L30-L39 PolarHBondContact O-N 2.73Å; L30-P51 HydrophobicContact CD1-CB 4.28Å; L30-P51 HydrophobicContact CD1-CG 4.47Å
31K91.3Very high88.7Confident88 Ų8875.8 Ų75.838%0.38339%0.393SS..BIsolated β-bridgetrans-121.7134.6178.364177.4-176.8169.10111.4C29 E33C29-K31 PolarHBondContact O-N 3.14Å; K31-E33 PolarHBondContact O-N 2.86Å
32C91.8Very high88.6Confident0 Ų073.7 Ų73.70%040%0.398CS..  trans-62.7125.3178-178.10000110.4C35 N36 K37 L39 P51 C53C32-C35 PolarHBondContact SG-SG 3.14Å; C32-N36 WeakPolarHBondContact O-CA 3.24Å; C32-N36 PolarHBondContact O-N 3.02Å; C32-K37 PolarHBondContact N-O 3.03Å; C32-L39 HydrophobicContact CB-CD1 4.08Å; C32-L39 HydrophobicContact CB-CD2 4.13Å; C32-L39 HydrophobicContact CB-CG 4.19Å; C32-P51 WeakPolarHBondContact CA-O 3.45Å; C32-C53 PolarHBondContact SG-N 3.21Å; C32-C53 VanDerWaalsContact SG-SG 3.67Å
33E89.6Confident88.6Confident96 Ų9672.3 Ų72.345%0.44938%0.383SS..THydrogen-bonded Turntrans-66.7-44.3-177.3-162154118.100112.8K7 K31 C35 Y52K7-E33 IonicContact NZ-OE2 2.67Å; K7-E33 PolarHBondContact NZ-OE2 2.97Å; K31-E33 PolarHBondContact O-N 2.86Å; E33-C35 VanDerWaalsContact C-N 3.3Å; E33-C35 PolarHBondContact O-N 2.88Å; E33-Y52 HydrophobicContact CB-CE1 3.9Å
34R87.9Confident88.5Confident140 Ų14068.5 Ų68.553%0.52837%0.367SS..THydrogen-bonded Turntrans-69.9-19.9-175.5-175169.2179.4170.75.3114.6Y52 C57 A60R34-Y52 HydrophobicContact CB-CD1 4.46Å; R34-Y52 HydrophobicContact CB-CE1 4.43Å; R34-C57 HydrophobicContact CB-CB 4.2Å; R34-A60 PolarHBondContact NH1-O 3.15Å
35C89.8Confident88.5Confident59 Ų5968 Ų6840%0.39937%0.366SS..THydrogen-bonded Turntrans-138.48.7-177.870.60000114.9C32 E33 K37C32-C35 PolarHBondContact SG-SG 3.14Å; E33-C35 VanDerWaalsContact C-N 3.3Å; E33-C35 PolarHBondContact O-N 2.88Å; C35-K37 PolarHBondContact O-N 2.89Å
36N88.4Confident88.3Confident114 Ų11469.7 Ų69.761%0.6137%0.374SS*.  trans518.8-179.3-72.8-70.6000116.9C32 T38C32-N36 WeakPolarHBondContact O-CA 3.24Å; C32-N36 PolarHBondContact O-N 3.02Å; N36-T38 PolarHBondContact O-N 3.05Å
37K87.9Confident88.1Confident138 Ų13871.4 Ų71.460%0.638%0.382SS*.PPolyproline II helixtrans-71126178.1-176.3176.8-68.2-66.40110.4C32 C35 L39C32-K37 PolarHBondContact N-O 3.03Å; C35-K37 PolarHBondContact O-N 2.89Å; K37-L39 PolarHBondContact O-N 2.83Å
38T90.2Very high87.9Confident98 Ų9871.3 Ų71.360%0.60139%0.388SS*.BIsolated β-bridgetrans-57.1131.3167.5-43.30000109.8N36N36-T38 PolarHBondContact O-N 3.05Å
39L88.5Confident87.7Confident16 Ų1664.3 Ų64.38%0.08436%0.36CS..PPolyproline II helixtrans-100.5150.2-176.2-63.4165.3000110L30 C32 K37 H44 P51 C53L30-L39 HydrophobicContact CD2-CB 4.45Å; L30-L39 WeakPolarHBondContact CD2-O 3.38Å; L30-L39 HydrophobicContact CG-CB 4.2Å; L30-L39 WeakPolarHBondContact O-CB 3.39Å; L30-L39 PolarHBondContact O-N 2.73Å; C32-L39 HydrophobicContact CB-CD1 4.08Å; C32-L39 HydrophobicContact CB-CD2 4.13Å; C32-L39 HydrophobicContact CB-CG 4.19Å; K37-L39 PolarHBondContact O-N 2.83Å; L39-H44 HydrophobicContact CB-CB 4.2Å; L39-H44 HydrophobicContact CD1-CB 3.86Å; L39-H44 HydrophobicContact CD2-CB 4.2Å; L39-H44 HydrophobicContact CG-CB 4.31Å; L39-P51 HydrophobicContact CD1-CB 3.82Å; L39-P51 HydrophobicContact CD1-CG 4.3Å; L39-C53 HydrophobicContact CD2-CB 4.36Å; L39-C53 VanDerWaalsContact CD2-SG 3.55Å
40N86.1Confident87.6Confident126 Ų12664.6 Ų64.667%0.67436%0.362SS*.PPolyproline II helixtrans-82146.7170.9-73.1-7.8000110.4G43 H44N40-G43 PolarHBondContact O-N 3.12Å; N40-H44 PolarHBondContact O-ND1 3.24Å
41P84.3Confident87.6Confident78 Ų7864.5 Ų64.551%0.50636%0.361SS..THydrogen-bonded Turntrans-54.3140.1167.121-30.7000110.8V18 G43V18-P41 HydrophobicContact CG1-CB 3.68Å; V18-P41 HydrophobicContact CG1-CG 3.98Å; P41-G43 PolarHBondContact O-N 3.05Å
42G82Confident87.6Confident63 Ų6361.4 Ų61.465%0.64935%0.347SS*.THydrogen-bonded Turntrans70.8-13.9-177.700000116.2
43G82.9Confident87.6Confident49 Ų4962.1 Ų62.151%0.50535%0.352SS..SBendtrans-99.724.1-174.600000115.8N40 P41N40-G43 PolarHBondContact O-N 3.12Å; P41-G43 PolarHBondContact O-N 3.05Å
44H87.3Confident87.5Confident7 Ų763 Ų633%0.03236%0.356CS..EExtended strand (participates in β ladder)trans-144167.2-172.459.9-97000112.4S20 L39 N40 Y52S20-H44 WeakPolarHBondContact CB-CE1 3.26Å; S20-H44 PolarHBondContact OG-CE1 2.76Å; S20-H44 PolarHBondContact OG-NE2 3.37Å; L39-H44 HydrophobicContact CB-CB 4.2Å; L39-H44 HydrophobicContact CD1-CB 3.86Å; L39-H44 HydrophobicContact CD2-CB 4.2Å; L39-H44 HydrophobicContact CG-CB 4.31Å; N40-H44 PolarHBondContact O-ND1 3.24Å; H44-Y52 WeakPolarHBondContact CB-O 3.35Å
45A89.8Confident87.4Confident12 Ų1264.7 Ų64.710%0.09937%0.367CS..EExtended strand (participates in β ladder)trans-109.2153.4170.900000110Y52 Y58A45-Y52 PolarHBondContact N-O 2.86Å; A45-Y52 VanDerWaalsContact N-O 3.1Å; A45-Y52 PolarHBondContact O-N 2.67Å; A45-Y58 HydrophobicContact CB-CD1 4.08Å; A45-Y58 HydrophobicContact CB-CD2 3.41Å; A45-Y58 VanDerWaalsContact CB-CD2 3.41Å; A45-Y58 HydrophobicContact CB-CE1 4.38Å; A45-Y58 HydrophobicContact CB-CE2 3.75Å; A45-Y58 HydrophobicContact CB-CG 3.59Å
46E88.4Confident87.2Confident35 Ų3566.5 Ų66.516%0.16438%0.378CS..EExtended strand (participates in β ladder)trans-113143.3175-165-162.4138.800109.6L21 K23 W25 G49 T50L21-E46 HydrophobicContact CD1-CB 4.08Å; K23-E46 WeakPolarHBondContact CD-OE2 3.47Å; K23-E46 VanDerWaalsContact CE-OE2 3.3Å; K23-E46 WeakPolarHBondContact CE-OE2 3.24Å; K23-E46 IonicContact NZ-OE1 2.64Å; K23-E46 PolarHBondContact NZ-OE1 3.47Å; K23-E46 IonicContact NZ-OE2 2.88Å; K23-E46 PolarHBondContact NZ-OE2 2.79Å; W25-E46 HydrophobicContact CH2-CG 3.94Å; W25-E46 HydrophobicContact CZ2-CG 3.94Å; E46-G49 VanDerWaalsContact OE1-CA 3.24Å; E46-G49 WeakPolarHBondContact OE1-CA 3.29Å; E46-G49 PolarHBondContact OE1-N 2.82Å; E46-G49 VanDerWaalsContact OE1-N 3.16Å; E46-T50 WeakPolarHBondContact CA-O 3.5Å
47H86.8Confident87.2Confident55 Ų5561.4 Ų61.426%0.25535%0.351SS..EExtended strand (participates in β ladder)trans-137.9126.9165.1-152.5-78.2000107.9G49 T50 Y52 Y58 F62H47-G49 VanDerWaalsContact C-N 3.33Å; H47-G49 PolarHBondContact O-N 2.83Å; H47-T50 PolarHBondContact N-O 3.1Å; H47-T50 WeakPolarHBondContact O-CA 3.5Å; H47-T50 PolarHBondContact O-N 2.88Å; H47-T50 VanDerWaalsContact O-O 3.11Å; H47-T50 PolarHBondContact O-OG1 3.28Å; H47-Y52 HydrophobicContact CB-CD2 4.17Å; H47-Y52 HydrophobicContact CB-CE2 3.93Å; H47-Y58 HydrophobicContact CB-CE2 4.24Å; H47-F62 HydrophobicContact CB-CD2 4.02Å; H47-F62 HydrophobicContact CB-CE1 4.32Å; H47-F62 HydrophobicContact CB-CE2 3.67Å; H47-F62 HydrophobicContact CB-CG 4.5Å; H47-F62 HydrophobicContact CB-CZ 3.82Å; H47-F62 AromaticContact CD2-CD1 3.37Å; H47-F62 WeakPolarHBondContact CD2-CD1 3.09Å; H47-F62 AromaticContact CD2-CD2 3.65Å; H47-F62 AromaticContact CD2-CE1 3.78Å; H47-F62 AromaticContact CD2-CG 3.29Å; H47-F62 WeakPolarHBondContact CD2-CG 3.31Å; H47-F62 AromaticContact CE1-CD1 3.59Å; H47-F62 AromaticContact CE1-CE1 3.63Å; H47-F62 AromaticContact CG-CD1 3.75Å; H47-F62 AromaticContact CG-CD2 3.89Å; H47-F62 AromaticContact CG-CE1 3.63Å; H47-F62 AromaticContact CG-CE2 3.79Å; H47-F62 AromaticContact CG-CG 3.87Å; H47-F62 AromaticContact CG-CZ 3.65Å; H47-F62 AromaticContact ND1-CD1 3.86Å; H47-F62 AromaticContact ND1-CE1 3.53Å; H47-F62 AromaticContact ND1-CZ 3.85Å; H47-F62 AromaticContact NE2-CD1 3.26Å; H47-F62 VanDerWaalsContact NE2-CD1 3.26Å; H47-F62 WeakPolarHBondContact NE2-CD1 3.37Å; H47-F62 AromaticContact NE2-CE1 3.77Å; H47-F62 AromaticContact NE2-CG 3.61Å
48D83.9Confident87.3Confident140 Ų14058.1 Ų58.175%0.74934%0.336SS*.THydrogen-bonded Turntrans47.744.4177.5-48.2-41.4000115.4T50D48-T50 PolarHBondContact O-N 3.16Å
49G84.2Confident87.2Confident11 Ų1155.9 Ų55.911%0.11333%0.327CS..THydrogen-bonded Turntrans76.7-2.9-17800000115.1W25 E46 H47W25-G49 WeakPolarHBondContact CH2-O 3.07Å; W25-G49 VanDerWaalsContact CZ3-O 3.3Å; W25-G49 WeakPolarHBondContact CZ3-O 3.43Å; E46-G49 VanDerWaalsContact OE1-CA 3.24Å; E46-G49 WeakPolarHBondContact OE1-CA 3.29Å; E46-G49 PolarHBondContact OE1-N 2.82Å; E46-G49 VanDerWaalsContact OE1-N 3.16Å; H47-G49 VanDerWaalsContact C-N 3.33Å; H47-G49 PolarHBondContact O-N 2.83Å
50T88Confident87.1Confident30 Ų3057.9 Ų57.918%0.18435%0.346CS..EExtended strand (participates in β ladder)trans-104.2133.3177.167.70000111.4E46 H47 D48 Y52E46-T50 WeakPolarHBondContact CA-O 3.5Å; H47-T50 PolarHBondContact N-O 3.1Å; H47-T50 WeakPolarHBondContact O-CA 3.5Å; H47-T50 PolarHBondContact O-N 2.88Å; H47-T50 VanDerWaalsContact O-O 3.11Å; H47-T50 PolarHBondContact O-OG1 3.28Å; D48-T50 PolarHBondContact O-N 3.16Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.24Å; T50-Y52 PolarHBondContact OG1-OH 3.03Å
51P91Very high87.1Confident0 Ų054.4 Ų54.40%033%0.327CS..EExtended strand (participates in β ladder)trans-94.3143.3-17735.8-29.7000110.9W25 L30 C32 L39W25-P51 HydrophobicContact CE3-CG 4.29Å; W25-P51 HydrophobicContact CH2-CB 3.96Å; W25-P51 HydrophobicContact CH2-CG 4.06Å; W25-P51 HydrophobicContact CZ3-CB 4.08Å; W25-P51 HydrophobicContact CZ3-CG 3.68Å; L30-P51 HydrophobicContact CD1-CB 4.28Å; L30-P51 HydrophobicContact CD1-CG 4.47Å; C32-P51 WeakPolarHBondContact CA-O 3.45Å; L39-P51 HydrophobicContact CD1-CB 3.82Å; L39-P51 HydrophobicContact CD1-CG 4.3Å
52Y91.4Very high87.2Confident22 Ų2254 Ų549%0.08632%0.317CS..EExtended strand (participates in β ladder)trans-134.9151.7-176.9-67.5-80.8000112.9E33 R34 H44 A45 H47 T50 H54 L61 F62E33-Y52 HydrophobicContact CB-CE1 3.9Å; R34-Y52 HydrophobicContact CB-CD1 4.46Å; R34-Y52 HydrophobicContact CB-CE1 4.43Å; H44-Y52 WeakPolarHBondContact CB-O 3.35Å; A45-Y52 PolarHBondContact N-O 2.86Å; A45-Y52 VanDerWaalsContact N-O 3.1Å; A45-Y52 PolarHBondContact O-N 2.67Å; H47-Y52 HydrophobicContact CB-CD2 4.17Å; H47-Y52 HydrophobicContact CB-CE2 3.93Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.24Å; T50-Y52 PolarHBondContact OG1-OH 3.03Å; Y52-H54 PolarHBondContact O-N 3.03Å; Y52-L61 HydrophobicContact CD1-CD1 4.16Å; Y52-L61 HydrophobicContact CE1-CD1 3.71Å; Y52-F62 AromaticContact CD2-CE2 3.82Å; Y52-F62 HydrophobicContact CD2-CE2 3.82Å; Y52-F62 AromaticContact CE2-CE2 3.51Å; Y52-F62 HydrophobicContact CE2-CE2 3.51Å; Y52-F62 AromaticContact CE2-CZ 3.89Å; Y52-F62 HydrophobicContact CE2-CZ 3.89Å; Y52-F62 HydrophobicContact CG-CE2 4.45Å; Y52-F62 AromaticContact CZ-CE2 3.92Å
53C91.7Very high87.1Confident15 Ų1552 Ų5210%0.10130%0.297CS..EExtended strand (participates in β ladder)trans-60.5124.9167.4-62.20000110.3C32 L39 K55 C57 Y58C32-C53 PolarHBondContact SG-N 3.21Å; C32-C53 VanDerWaalsContact SG-SG 3.67Å; L39-C53 HydrophobicContact CD2-CB 4.36Å; L39-C53 VanDerWaalsContact CD2-SG 3.55Å; C53-K55 PolarHBondContact O-N 3.41Å; C53-K55 VanDerWaalsContact O-N 3.15Å; C53-C57 HydrophobicContact CB-CB 4.02Å; C53-C57 PolarHBondContact O-N 3.2Å; C53-Y58 WeakPolarHBondContact O-CB 3.5Å; C53-Y58 PolarHBondContact O-N 3.5Å
54H87.2Confident87Confident115 Ų11556.1 Ų56.153%0.53232%0.315SS..Iπ-helixtrans-55.7-34.9-176.7-158.4-30.3000113.1Y52Y52-H54 PolarHBondContact O-N 3.03Å
55K84.6Confident86Confident175 Ų17563.9 Ų63.976%0.76135%0.348SS*.Iπ-helixtrans-139.9145.1162-65.3-179.2-178.7175.50108.5C53C53-K55 PolarHBondContact O-N 3.41Å; C53-K55 VanDerWaalsContact O-N 3.15Å
56P86.1Confident84.6Confident97 Ų9766.2 Ų66.263%0.6337%0.374SS*.Iπ-helixcis-82.3-18.2-8.234.3-34.9000113.4Y58 A59 A60P56-Y58 PolarHBondContact O-N 3.34Å; P56-A59 PolarHBondContact O-N 3.47Å; P56-A60 VanDerWaalsContact O-CB 3.28Å; P56-A60 WeakPolarHBondContact O-CB 3.44Å; P56-A60 PolarHBondContact O-N 3.42Å
57C89.4Confident83.1Confident8 Ų870 Ų705%0.05440%0.4CS..Iπ-helixtrans-60.2-51.5-161.8-58.20000114.6R34 C53 A60 L61R34-C57 HydrophobicContact CB-CB 4.2Å; C53-C57 HydrophobicContact CB-CB 4.02Å; C53-C57 PolarHBondContact O-N 3.2Å; C57-A60 PolarHBondContact O-N 3.44Å; C57-L61 WeakPolarHBondContact O-CG 3.28Å; C57-L61 PolarHBondContact O-N 2.94Å
58Y90.1Very high81.4Confident68 Ų6874.7 Ų74.727%0.26743%0.426SS..Iπ-helixtrans-63.8-50.9179.8-177.6-91.3000111.2A45 H47 C53 P56 A60 L61 F62A45-Y58 HydrophobicContact CB-CD1 4.08Å; A45-Y58 HydrophobicContact CB-CD2 3.41Å; A45-Y58 VanDerWaalsContact CB-CD2 3.41Å; A45-Y58 HydrophobicContact CB-CE1 4.38Å; A45-Y58 HydrophobicContact CB-CE2 3.75Å; A45-Y58 HydrophobicContact CB-CG 3.59Å; H47-Y58 HydrophobicContact CB-CE2 4.24Å; C53-Y58 WeakPolarHBondContact O-CB 3.5Å; C53-Y58 PolarHBondContact O-N 3.5Å; P56-Y58 PolarHBondContact O-N 3.34Å; Y58-A60 VanDerWaalsContact C-N 3.26Å; Y58-A60 PolarHBondContact O-N 3.39Å; Y58-L61 PolarHBondContact O-N 2.95Å; Y58-F62 AromaticContact CD2-CD2 3.65Å; Y58-F62 HydrophobicContact CD2-CD2 3.65Å; Y58-F62 HydrophobicContact CD2-CE2 4.35Å; Y58-F62 HydrophobicContact CE1-CB 4.4Å; Y58-F62 HydrophobicContact CE2-CB 4.29Å; Y58-F62 AromaticContact CE2-CD2 3.86Å; Y58-F62 HydrophobicContact CE2-CD2 3.86Å; Y58-F62 HydrophobicContact CE2-CG 4.41Å; Y58-F62 HydrophobicContact CG-CD2 4.21Å; Y58-F62 PolarHBondContact O-N 3.34Å
59A87.6Confident79.9Confident51 Ų5175.4 Ų75.442%0.42143%0.428SS..Hα-helixtrans-58.9-34.1179.300000113.4P56 L61 G63P56-A59 PolarHBondContact O-N 3.47Å; A59-L61 VanDerWaalsContact C-N 3.32Å; A59-L61 PolarHBondContact O-N 3.46Å; A59-G63 VanDerWaalsContact O-CA 3.29Å; A59-G63 WeakPolarHBondContact O-CA 3.49Å; A59-G63 PolarHBondContact O-N 3.36Å; A59-G63 VanDerWaalsContact O-N 3.12Å
60A86Confident78.1Confident59 Ų5977.8 Ų77.849%0.48845%0.453SS..Hα-helixtrans-84.41.8178.600000114.6R34 P56 C57 Y58R34-A60 PolarHBondContact NH1-O 3.15Å; P56-A60 VanDerWaalsContact O-CB 3.28Å; P56-A60 WeakPolarHBondContact O-CB 3.44Å; P56-A60 PolarHBondContact O-N 3.42Å; C57-A60 PolarHBondContact O-N 3.44Å; Y58-A60 VanDerWaalsContact C-N 3.26Å; Y58-A60 PolarHBondContact O-N 3.39Å
61L85.6Confident76.4Confident52 Ų5280 Ų8027%0.27248%0.482SS..Hα-helixtrans-116-51.8172.9-69.4173.5000110.7Y52 C57 Y58 A59 K65Y52-L61 HydrophobicContact CD1-CD1 4.16Å; Y52-L61 HydrophobicContact CE1-CD1 3.71Å; C57-L61 WeakPolarHBondContact O-CG 3.28Å; C57-L61 PolarHBondContact O-N 2.94Å; Y58-L61 PolarHBondContact O-N 2.95Å; A59-L61 VanDerWaalsContact C-N 3.32Å; A59-L61 PolarHBondContact O-N 3.46Å; L61-K65 PolarHBondContact O-NZ 2.89Å
62F86.5Confident74.3Confident69 Ų6985.5 Ų85.530%0.30353%0.528SS..Hα-helixtrans-118.51.1-167.8-43.1-70.5000113.4H47 Y52 Y58H47-F62 HydrophobicContact CB-CD2 4.02Å; H47-F62 HydrophobicContact CB-CE1 4.32Å; H47-F62 HydrophobicContact CB-CE2 3.67Å; H47-F62 HydrophobicContact CB-CG 4.5Å; H47-F62 HydrophobicContact CB-CZ 3.82Å; H47-F62 AromaticContact CD2-CD1 3.37Å; H47-F62 WeakPolarHBondContact CD2-CD1 3.09Å; H47-F62 AromaticContact CD2-CD2 3.65Å; H47-F62 AromaticContact CD2-CE1 3.78Å; H47-F62 AromaticContact CD2-CG 3.29Å; H47-F62 WeakPolarHBondContact CD2-CG 3.31Å; H47-F62 AromaticContact CE1-CD1 3.59Å; H47-F62 AromaticContact CE1-CE1 3.63Å; H47-F62 AromaticContact CG-CD1 3.75Å; H47-F62 AromaticContact CG-CD2 3.89Å; H47-F62 AromaticContact CG-CE1 3.63Å; H47-F62 AromaticContact CG-CE2 3.79Å; H47-F62 AromaticContact CG-CG 3.87Å; H47-F62 AromaticContact CG-CZ 3.65Å; H47-F62 AromaticContact ND1-CD1 3.86Å; H47-F62 AromaticContact ND1-CE1 3.53Å; H47-F62 AromaticContact ND1-CZ 3.85Å; H47-F62 AromaticContact NE2-CD1 3.26Å; H47-F62 VanDerWaalsContact NE2-CD1 3.26Å; H47-F62 WeakPolarHBondContact NE2-CD1 3.37Å; H47-F62 AromaticContact NE2-CE1 3.77Å; H47-F62 AromaticContact NE2-CG 3.61Å; Y52-F62 AromaticContact CD2-CE2 3.82Å; Y52-F62 HydrophobicContact CD2-CE2 3.82Å; Y52-F62 AromaticContact CE2-CE2 3.51Å; Y52-F62 HydrophobicContact CE2-CE2 3.51Å; Y52-F62 AromaticContact CE2-CZ 3.89Å; Y52-F62 HydrophobicContact CE2-CZ 3.89Å; Y52-F62 HydrophobicContact CG-CE2 4.45Å; Y52-F62 AromaticContact CZ-CE2 3.92Å; Y58-F62 AromaticContact CD2-CD2 3.65Å; Y58-F62 HydrophobicContact CD2-CD2 3.65Å; Y58-F62 HydrophobicContact CD2-CE2 4.35Å; Y58-F62 HydrophobicContact CE1-CB 4.4Å; Y58-F62 HydrophobicContact CE2-CB 4.29Å; Y58-F62 AromaticContact CE2-CD2 3.86Å; Y58-F62 HydrophobicContact CE2-CD2 3.86Å; Y58-F62 HydrophobicContact CE2-CG 4.41Å; Y58-F62 HydrophobicContact CG-CD2 4.21Å; Y58-F62 PolarHBondContact O-N 3.34Å
63G81.6Confident72.1Confident21 Ų2188.3 Ų88.322%0.21656%0.563CS.*SBendtrans-63.7159.3163.600000110.8A59 K65A59-G63 VanDerWaalsContact O-CA 3.29Å; A59-G63 WeakPolarHBondContact O-CA 3.49Å; A59-G63 PolarHBondContact O-N 3.36Å; A59-G63 VanDerWaalsContact O-N 3.12Å; G63-K65 PolarHBondContact O-N 2.8Å
64P80.7Confident69.8Low136 Ų13693 Ų9388%0.88360%0.596SS**  trans-60.2105.3179.725.1-33.9000110G66P64-G66 PolarHBondContact O-N 3.47Å
65K64.8Low68.2Low170 Ų17096.4 Ų96.474%0.73961%0.606SS**  trans-66.4106.3168.6-66.1-170.9-178.872.30106.4L61 G63 V67L61-K65 PolarHBondContact O-NZ 2.89Å; G63-K65 PolarHBondContact O-N 2.8Å; K65-V67 PolarHBondContact O-N 3.44Å
66G60.3Low66.7Low62 Ų6292.9 Ų92.964%0.63960%0.599SS**  trans-6099.6-174.800000111.3P64 N68P64-G66 PolarHBondContact O-N 3.47Å; G66-N68 PolarHBondContact O-N 2.85Å; G66-N68 PolarHBondContact O-ND2 3.47Å
67V57.1Low64.6Low115 Ų11597.8 Ų97.870%0.69761%0.606SS**  trans-76.8112.9173.1720000107.4K65 I69K65-V67 PolarHBondContact O-N 3.44Å; V67-I69 HydrophobicContact CG1-CD1 4.01Å; V67-I69 HydrophobicContact CG1-CG1 4.12Å; V67-I69 HydrophobicContact CG2-CD1 4.24Å; V67-I69 HydrophobicContact CG2-CG1 4.02Å; V67-I69 PolarHBondContact O-N 3.11Å
68N51.3Low62.7Low153 Ų153105.1 Ų105.182%0.81864%0.639SS**  trans-78.569.8-177-68.6-73.2000110.2G66 G70G66-N68 PolarHBondContact O-N 2.85Å; G66-N68 PolarHBondContact O-ND2 3.47Å; N68-G70 VanDerWaalsContact C-N 3.25Å; N68-G70 PolarHBondContact O-N 3.29Å; N68-G70 VanDerWaalsContact O-N 3.14Å
69I51.9Low60.9Low154 Ų154106.1 Ų106.179%0.7966%0.662SS**  trans-84.478.6168.2-58.8177.3000107.1V67V67-I69 HydrophobicContact CG1-CD1 4.01Å; V67-I69 HydrophobicContact CG1-CG1 4.12Å; V67-I69 HydrophobicContact CG2-CD1 4.24Å; V67-I69 HydrophobicContact CG2-CG1 4.02Å; V67-I69 PolarHBondContact O-N 3.11Å
70G48Very low59.1Low62 Ų62109.5 Ų109.564%0.63968%0.68SS**SBendtrans176.5114.8-177.300000107.6N68N68-G70 VanDerWaalsContact C-N 3.25Å; N68-G70 PolarHBondContact O-N 3.29Å; N68-G70 VanDerWaalsContact O-N 3.14Å
71G51.8Low57.4Low77 Ų77112.5 Ų112.579%0.79469%0.692SS**  trans-73.7168-162.700000116
72A47.3Very low55.7Low115 Ų115118 Ų11895%0.9572%0.721SS**SBendtrans74116.6177.400000117.2
73G44Very low53.5Low81 Ų81120.5 Ų120.584%0.83574%0.738SS**  trans114.317.515300000119.3Y75G73-Y75 PolarHBondContact O-N 2.83Å; G73-Y75 VanDerWaalsContact O-N 3.11Å
74S44.5Very low51.6Low113 Ų113125.7 Ų125.779%0.7977%0.765SS**  trans-80.187.5178.559.90000113.5V76S74-V76 PolarHBondContact O-N 2.64Å
75Y52.7Low50.3Low187 Ų187124.4 Ų124.473%0.73376%0.757SS**  trans-77.4115.4156.5-175.5-96.4000108.9G73 Y77G73-Y75 PolarHBondContact O-N 2.83Å; G73-Y75 VanDerWaalsContact O-N 3.11Å; Y75-Y77 AromaticContact CD1-CD2 3.99Å; Y75-Y77 HydrophobicContact CD1-CD2 3.99Å; Y75-Y77 HydrophobicContact CD1-CE2 4.33Å; Y75-Y77 AromaticContact CE1-CD2 3.73Å; Y75-Y77 HydrophobicContact CE1-CD2 3.73Å; Y75-Y77 AromaticContact CE1-CE2 3.81Å; Y75-Y77 HydrophobicContact CE1-CE2 3.81Å; Y75-Y77 HydrophobicContact CE1-CG 4.32Å; Y75-Y77 PolarHBondContact O-N 3.49Å
76V54.2Low48.8Very low101 Ų101121 Ų12161%0.61276%0.76SS**  trans-78.5115.3177-178.30000108.5S74 E78S74-V76 PolarHBondContact O-N 2.64Å; V76-E78 HydrophobicContact CG1-CG 4.01Å; V76-E78 PolarHBondContact O-N 3.29Å
77Y41.9Very low47.7Very low200 Ų200123.3 Ų123.378%0.78477%0.767SS**  trans-81.796.5158.6-115.1-72.9000108.1Y75Y75-Y77 AromaticContact CD1-CD2 3.99Å; Y75-Y77 HydrophobicContact CD1-CD2 3.99Å; Y75-Y77 HydrophobicContact CD1-CE2 4.33Å; Y75-Y77 AromaticContact CE1-CD2 3.73Å; Y75-Y77 HydrophobicContact CE1-CD2 3.73Å; Y75-Y77 AromaticContact CE1-CE2 3.81Å; Y75-Y77 HydrophobicContact CE1-CE2 3.81Å; Y75-Y77 HydrophobicContact CE1-CG 4.32Å; Y75-Y77 PolarHBondContact O-N 3.49Å
78E48.4Very low46.8Very low161 Ų161123.8 Ų123.875%0.75277%0.77SS**  trans-59.2139.5165-66.8-177.894.700108.9V76 P80V76-E78 HydrophobicContact CG1-CG 4.01Å; V76-E78 PolarHBondContact O-N 3.29Å; E78-P80 WeakPolarHBondContact O-CD 3.17Å
79A53.8Low46.1Very low89 Ų89120.9 Ų120.974%0.73676%0.761SS**  trans-75.6120.9171.300000107.9V81A79-V81 PolarHBondContact O-N 3.41Å
80P48.9Very low45.4Very low123 Ų123118.8 Ų118.880%0.79976%0.756SS**  trans-65.2107.2170.426.8-32.2000108.4E78E78-P80 WeakPolarHBondContact O-CD 3.17Å
81V50.8Low45Very low122 Ų122123.2 Ų123.274%0.73976%0.76SS**  trans-58.3142.1158.2-70.90000108.4A79A79-V81 PolarHBondContact O-N 3.41Å
82N49.5Very low44.1Very low167 Ų167124.5 Ų124.589%0.89375%0.753SS**  trans-148.9102.5160.7-15223.9000108.4
83D41.1Very low43.5Very low122 Ų122127.9 Ų127.965%0.65275%0.749SS**  trans-86.6150.6-176.3-87.9-86.4000111.8
84T40.3Very low42.9Very low130 Ų130128.3 Ų128.380%0.79874%0.744SS**  trans65167.9155.5570000119.3
85P52.9Low42.7Very low109 Ų109130.5 Ų130.571%0.70874%0.74SS**  cis-130.8174-2825.6-5.6000114.4
86A34.3Very low42.1Very low97 Ų97127.2 Ų127.280%0.80274%0.741SS**  trans64.7160.8155.400000117.5
87S38Very low41.6Very low112 Ų112128.9 Ų128.978%0.78374%0.742SS**  cis-158.4171.1-27.654.50000105.9
88V37.7Very low41.4Very low125 Ų125125.3 Ų125.376%0.75873%0.733SS**  cis-155.5173.918.377.60000110.5
89S36.3Very low41Very low91 Ų91125.5 Ų125.564%0.63673%0.731SS**  trans-26.9161.1159.8-45.10000117.9
90T36.1Very low39.9Very low111 Ų111130.8 Ų130.868%0.68174%0.738SS**  cis-169-163.3-6.723.70000106.7
91E40.3Very low39.4Very low154 Ų154128.6 Ų128.672%0.7273%0.73SS**  cis-153.1132-1.9-124.8141.3126.500105
92T32.5Very low38.9Very low105 Ų105131.2 Ų131.264%0.64473%0.734SS**  94.2118.778.5-61.90000114.2
93E36.2Very low38Very low186 Ų186127.7 Ų127.787%0.86973%0.728SS**  trans62.7158.7164.4-70.9-177.6101.700119.2
94A30.8Very low37.9Very low90 Ų90134.1 Ų134.174%0.74474%0.743SS**  cis-137.3167.13.600000113
95K40.4Very low37.7Very low158 Ų158130.8 Ų130.869%0.68773%0.734SS**  trans-104.5138.6167.1157.5178.1176.5-169.20109.6E97K95-E97 WeakPolarHBondContact CE-OE2 3.17Å; K95-E97 IonicContact NZ-OE2 3.84Å; K95-E97 PolarHBondContact NZ-OE2 2.74Å
96P40.2Very low37.6Very low119 Ų119132 Ų13277%0.77374%0.742SS**  -140.3162.912138.2-25.4000115.4
97E43.2Very low38.4Very low135 Ų135134 Ų13463%0.63174%0.744SS**  trans-75.6173.3157.9-74.4161.864.200109K95K95-E97 WeakPolarHBondContact CE-OE2 3.17Å; K95-E97 IonicContact NZ-OE2 3.84Å; K95-E97 PolarHBondContact NZ-OE2 2.74Å
98E36.9Very low38.8Very low126 Ų126138.3 Ų138.359%0.58975%0.748SS**  cis-160.1-175.112.7-142.6-170.86.700109.9
99K40.6Very low39.1Very low164 Ų164136.8 Ų136.871%0.71375%0.749SS**  trans21122.8154.1-63.8161-172.7142.10117.8
100K30.8Very low39.6Very low201 Ų201136.5 Ų136.587%0.87475%0.753SS**  -179.4166.779.1-161170.7-176.1-179.70110.2
101A38.1Very low40.4Very low76 Ų76136.3 Ų136.363%0.62876%0.755SS**  trans-82.5159.4177.500000113.6
102H41.4Very low41Very low178 Ų178138.7 Ų138.782%0.82476%0.764SS**  177.7156.2118.7-91.3-66.7000113.7
103A31Very low42.4Very low93 Ų93138.3 Ų138.377%0.76977%0.765SS**  trans54.7102.8153.100000122.3
104R39.1Very low43.4Very low256 Ų256134.9 Ų134.997%0.96676%0.758SS**  trans9.8124.1135-65.6175.3171.3173.6-4119.2
105G35.6Very low44.4Very low60 Ų60138.3 Ų138.362%0.61976%0.756SS**  trans-150.9132.6151.500000110.7V107G105-V107 PolarHBondContact O-N 3.37Å; G105-V107 VanDerWaalsContact O-N 3.14Å
106P50.1Low45.3Very low134 Ų134136 Ų13687%0.8776%0.76SS**  trans-82.790.5-177.132.5-33.5000111.1K108P106-K108 PolarHBondContact O-N 3.1Å
107V51.8Low46.4Very low139 Ų139132 Ų13284%0.84274%0.74SS**  trans-63.6126.2165.6-680000109G105 A109G105-V107 PolarHBondContact O-N 3.37Å; G105-V107 VanDerWaalsContact O-N 3.14Å; V107-A109 PolarHBondContact O-N 2.96Å
108K46.1Very low47.7Very low203 Ų203133 Ų13388%0.88374%0.744SS**  trans-58.4126.7-179.6-74.6179.1175.8176.90109.2P106 A110P106-K108 PolarHBondContact O-N 3.1Å; K108-A110 VanDerWaalsContact C-N 3.32Å; K108-A110 PolarHBondContact O-N 3.41Å
109A44.5Very low49.6Very low93 Ų93129.5 Ų129.577%0.76973%0.733SS**  trans-66.492.6172.800000109.5V107 S111V107-A109 PolarHBondContact O-N 2.96Å; A109-S111 PolarHBondContact O-N 3.03Å
110A46.9Very low51.6Low86 Ų86123.5 Ų123.571%0.71171%0.711SS**  trans-69.189163.200000107.2K108 F112K108-A110 VanDerWaalsContact C-N 3.32Å; K108-A110 PolarHBondContact O-N 3.41Å; A110-F112 WeakPolarHBondContact O-CD1 3.36Å; A110-F112 PolarHBondContact O-N 3.38Å
111S52.3Low54.4Low106 Ų106120.8 Ų120.874%0.74170%0.699SS**  trans-59.1100.3-178.3-58.80000110.5A109 S113A109-S111 PolarHBondContact O-N 3.03Å; S111-S113 PolarHBondContact O-N 2.76Å
112F52.3Low57Low204 Ų204117.2 Ų117.290%0.89567%0.67SS**  trans-70.775.6170.338.8-92.5000109.5A110A110-F112 WeakPolarHBondContact O-CD1 3.36Å; A110-F112 PolarHBondContact O-N 3.38Å
113S62.5Low59.2Low97 Ų97111 Ų11168%0.67865%0.645SS**  trans-66.7164.1169.5-163.40000110.6S111S111-S113 PolarHBondContact O-N 2.76Å
114T56.3Low62Low115 Ų115109.5 Ų109.571%0.70662%0.62SS**  trans54.178174.447.70000115.8
115F53.3Low64.4Low162 Ų16299 Ų9971%0.71159%0.585SS**  -102.595.7126.6-167.2-82.2000107.9G117 F131F115-G117 PolarHBondContact O-N 2.71Å; F115-F131 HydrophobicContact CD1-CE2 4.29Å; F115-F131 AromaticContact CD1-CZ 3.91Å; F115-F131 HydrophobicContact CD1-CZ 3.91Å; F115-F131 HydrophobicContact CE1-CE1 4.13Å; F115-F131 HydrophobicContact CE1-CE2 4.28Å; F115-F131 AromaticContact CE1-CZ 3.46Å; F115-F131 HydrophobicContact CE1-CZ 3.46Å; F115-F131 VanDerWaalsContact CE1-CZ 3.46Å; F115-F131 HydrophobicContact CZ-CE1 4.36Å; F115-F131 HydrophobicContact CZ-CZ 4.13Å
116S57.8Low66.9Low109 Ų109100.9 Ų100.976%0.76259%0.589SS**  trans-77.947.9-176.7-54.30000112.8
117G63.7Low68.8Low34 Ų34101.3 Ų101.335%0.35158%0.577SS.*  trans-89.8108.7168.200000109.7F115F115-G117 PolarHBondContact O-N 2.71Å
118E71.6Confident70.6Confident156 Ų15696.7 Ų96.773%0.72955%0.549SS*.  trans-48.6122.7166.7178.567.759.300109.2S120E118-S120 PolarHBondContact O-N 3.47Å
119P75.1Confident72.7Confident53 Ų5387.2 Ų87.234%0.34451%0.508SS..  trans-70.195.9-178.628.2-35.7000110.3T128P119-T128 HydrophobicContact CB-CG2 3.81Å; P119-T128 HydrophobicContact CG-CG2 4.01Å
120S84.1Confident74.7Confident38 Ų3889.6 Ų89.627%0.26650%0.499SS..PPolyproline II helixtrans-54.3142.9179.349.20000111.8E118 V129 D141E118-S120 PolarHBondContact O-N 3.47Å; S120-V129 WeakPolarHBondContact O-CB 3.31Å; S120-V129 WeakPolarHBondContact O-CG2 3.38Å; S120-V129 PolarHBondContact O-N 2.79Å; S120-D141 VanDerWaalsContact CB-OD2 3.3Å; S120-D141 WeakPolarHBondContact CB-OD2 3.43Å; S120-D141 WeakPolarHBondContact OG-CB 3.44Å; S120-D141 VanDerWaalsContact OG-CG 3.31Å; S120-D141 PolarHBondContact OG-OD2 3.35Å
121K89.9Confident76.5Confident144 Ų14491.7 Ų91.763%0.62649%0.492SS*.BIsolated β-bridgetrans-102.9132.2-170.1-60.7174.5-172.9171.70110.1
122C91.3Very high78Confident1 Ų191.1 Ų91.11%0.00749%0.494CS..PPolyproline II helixtrans-71.7123.8178.5-179.60000110.1R124 C125 S126 K127 V129 D141 H143C122-R124 PolarHBondContact O-N 3.05Å; C122-C125 PolarHBondContact O-N 2.89Å; C122-S126 VanDerWaalsContact O-CA 3.3Å; C122-S126 WeakPolarHBondContact O-CA 3.49Å; C122-S126 PolarHBondContact O-N 2.72Å; C122-K127 PolarHBondContact N-O 2.78Å; C122-V129 HydrophobicContact CB-CG2 3.63Å; C122-D141 WeakPolarHBondContact CA-O 3.34Å; C122-H143 VanDerWaalsContact CB-CE1 3.43Å; C122-H143 WeakPolarHBondContact CB-CE1 3.49Å; C122-H143 VanDerWaalsContact CB-ND1 3.32Å; C122-H143 WeakPolarHBondContact CB-ND1 3.49Å
123P88.4Confident79.5Confident47 Ų4785.5 Ų85.531%0.30547%0.47SS..THydrogen-bonded Turntrans-62.8-31.5-176.825-34.5000112.5K140 D141 W142P123-K140 HydrophobicContact CG-CD 4.4Å; P123-D141 WeakPolarHBondContact CD-O 3.41Å; P123-W142 HydrophobicContact CG-CD2 3.88Å; P123-W142 HydrophobicContact CG-CE3 3.98Å; P123-W142 HydrophobicContact CG-CH2 3.65Å; P123-W142 HydrophobicContact CG-CZ2 3.53Å; P123-W142 HydrophobicContact CG-CZ3 3.88Å
124R88.8Confident80.7Confident62 Ų6284.9 Ų84.923%0.23446%0.455CS..THydrogen-bonded Turntrans-66-41.7178.7-171.6-179.4-154.7123.117.7114.5C122 W142 C146 R148 E150 G166C122-R124 PolarHBondContact O-N 3.05Å; R124-W142 HydrophobicContact CB-CE3 4.3Å; R124-W142 HydrophobicContact CB-CZ3 4.06Å; R124-C146 HydrophobicContact CB-CB 4.26Å; R124-C146 WeakPolarHBondContact CD-O 3.49Å; R124-C146 PolarHBondContact NH1-O 3.43Å; R124-R148 PolarHBondContact NH1-O 3.08Å; R124-E150 IonicContact CZ-OE2 2.78Å; R124-E150 IonicContact NH2-OE2 3.6Å; R124-E150 PolarHBondContact NH2-OE2 3Å; R124-G166 PolarHBondContact N-O 2.89Å
125C90.1Very high82.3Confident36 Ų3680.4 Ų80.424%0.24343%0.427CS..THydrogen-bonded Turntrans-127.56.1-164.374.20000114C122 K127 H143 C146C122-C125 PolarHBondContact O-N 2.89Å; C125-K127 WeakPolarHBondContact O-CG 3.42Å; C125-K127 PolarHBondContact O-N 2.82Å; C125-H143 PolarHBondContact SG-CE1 3.23Å; C125-H143 PolarHBondContact SG-ND1 3.43Å; C125-C146 VanDerWaalsContact SG-SG 3.69Å
126S88.1Confident84Confident99 Ų9976.5 Ų76.569%0.69242%0.417SS*.  trans53.2-5.3-177.966.20000117.7C122C122-S126 VanDerWaalsContact O-CA 3.3Å; C122-S126 WeakPolarHBondContact O-CA 3.49Å; C122-S126 PolarHBondContact O-N 2.72Å
127K90.3Very high85.1Confident144 Ų14471.7 Ų71.763%0.62638%0.383SS*.  trans-71.6150.6176.2-66167.7-172.5-177.80111.9C122 C125C122-K127 PolarHBondContact N-O 2.78Å; C125-K127 WeakPolarHBondContact O-CG 3.42Å; C125-K127 PolarHBondContact O-N 2.82Å
128T90.1Very high86Confident41 Ų4175 Ų7525%0.25239%0.393SS..BIsolated β-bridgetrans-59.5142.5170.442.70000111.7P119 Y130 H143P119-T128 HydrophobicContact CB-CG2 3.81Å; P119-T128 HydrophobicContact CG-CG2 4.01Å; T128-Y130 VanDerWaalsContact OG1-CE2 3.26Å; T128-Y130 WeakPolarHBondContact OG1-CE2 3.31Å; T128-Y130 PolarHBondContact OG1-OH 3.1Å; T128-Y130 VanDerWaalsContact OG1-OH 3.07Å; T128-H143 PolarHBondContact O-NE2 2.84Å
129V90Very high86.7Confident5 Ų571.3 Ų71.33%0.0340%0.396CS..  trans-107.3106.1-179.1-168.50000109S120 C122 K134 D141S120-V129 WeakPolarHBondContact O-CB 3.31Å; S120-V129 WeakPolarHBondContact O-CG2 3.38Å; S120-V129 PolarHBondContact O-N 2.79Å; C122-V129 HydrophobicContact CB-CG2 3.63Å; V129-K134 VanDerWaalsContact CG1-CA 3.45Å; V129-K134 HydrophobicContact CG1-CB 3.52Å; V129-D141 HydrophobicContact CB-CB 4.36Å; V129-D141 HydrophobicContact CG1-CB 4.46Å; V129-D141 HydrophobicContact CG2-CB 4.35Å
130Y86.8Confident87.3Confident143 Ų14373.3 Ų73.356%0.56140%0.4SS*.  trans-83.2155.8178.9-61.9-81.3000111.7T128 A132 E133 K134T128-Y130 VanDerWaalsContact OG1-CE2 3.26Å; T128-Y130 WeakPolarHBondContact OG1-CE2 3.31Å; T128-Y130 PolarHBondContact OG1-OH 3.1Å; T128-Y130 VanDerWaalsContact OG1-OH 3.07Å; Y130-A132 PolarHBondContact O-N 2.91Å; Y130-E133 PolarHBondContact O-N 3.13Å; Y130-K134 PolarHBondContact O-N 2.92Å; Y130-K134 VanDerWaalsContact O-N 3.14Å
131F83.5Confident87.6Confident130 Ų13072.9 Ų72.957%0.5739%0.394SS*.THydrogen-bonded Turntrans-54-28-173.2-72.9-97.6000115F115 E133 K134F115-F131 HydrophobicContact CD1-CE2 4.29Å; F115-F131 AromaticContact CD1-CZ 3.91Å; F115-F131 HydrophobicContact CD1-CZ 3.91Å; F115-F131 HydrophobicContact CE1-CE1 4.13Å; F115-F131 HydrophobicContact CE1-CE2 4.28Å; F115-F131 AromaticContact CE1-CZ 3.46Å; F115-F131 HydrophobicContact CE1-CZ 3.46Å; F115-F131 VanDerWaalsContact CE1-CZ 3.46Å; F115-F131 HydrophobicContact CZ-CE1 4.36Å; F115-F131 HydrophobicContact CZ-CZ 4.13Å; F131-E133 VanDerWaalsContact C-N 3.34Å; F131-K134 HydrophobicContact CD1-CD 4.27Å
132A84.5Confident87.7Confident94 Ų9466 Ų6678%0.77736%0.364SS*.THydrogen-bonded Turntrans-70.3-25.2177.200000114.2Y130Y130-A132 PolarHBondContact O-N 2.91Å
133E84.3Confident87.7Confident85 Ų8566.6 Ų66.640%0.39737%0.367SS..THydrogen-bonded Turntrans-116.7-7.2-174.8-67.3-160.8100.500114.3Y130 F131 H143 R144Y130-E133 PolarHBondContact O-N 3.13Å; F131-E133 VanDerWaalsContact C-N 3.34Å; E133-H143 WeakPolarHBondContact O-CA 3.32Å; E133-H143 IonicContact OE2-CD2 2.64Å; E133-R144 PolarHBondContact O-N 3.04Å
134K87.5Confident87.7Confident85 Ų8572.7 Ų72.737%0.3738%0.384SS..EExtended strand (participates in β ladder)trans-66.8137.6-170.678.8174.6-172.9170.40113.8V129 Y130 F131 W142V129-K134 VanDerWaalsContact CG1-CA 3.45Å; V129-K134 HydrophobicContact CG1-CB 3.52Å; Y130-K134 PolarHBondContact O-N 2.92Å; Y130-K134 VanDerWaalsContact O-N 3.14Å; F131-K134 HydrophobicContact CD1-CD 4.27Å; K134-W142 CarbonylContact C-O 3.6Å
135V89.3Confident87.7Confident20 Ų2073.8 Ų73.812%0.12140%0.399CS..EExtended strand (participates in β ladder)trans-135.7100.3174-174.50000107.6W142 R144 L147 P158V135-W142 PolarHBondContact N-O 2.85Å; V135-W142 PolarHBondContact O-N 3.32Å; V135-R144 HydrophobicContact CG2-CB 4.26Å; V135-R144 HydrophobicContact CG2-CG 3.39Å; V135-L147 HydrophobicContact CG1-CD2 3.86Å; V135-P158 HydrophobicContact CG1-CB 3.73Å; V135-P158 HydrophobicContact CG1-CG 4.15Å
136T89.3Confident87.7Confident81 Ų8172.9 Ų72.950%0.49739%0.393SS..EExtended strand (participates in β ladder)trans-76.3130.3176.3-410000109.8K140 D141T136-K140 CarbonylContact C-O 3.57Å; T136-K140 WeakPolarHBondContact CA-O 3.5Å; T136-D141 WeakPolarHBondContact CA-OD1 3.37Å; T136-D141 VanDerWaalsContact CB-OD1 3.28Å; T136-D141 WeakPolarHBondContact CB-OD1 3.4Å; T136-D141 PolarHBondContact OG1-OD1 3.09Å
137S81.4Confident87.8Confident7 Ų768.3 Ų68.35%0.04936%0.361CS..EExtended strand (participates in β ladder)trans-155.4141174.1-169.70000110.6G139 K140 G159 H161S137-G139 PolarHBondContact O-N 3.34Å; S137-G139 VanDerWaalsContact O-N 3.07Å; S137-K140 PolarHBondContact N-O 2.88Å; S137-K140 PolarHBondContact O-N 3.22Å; S137-G159 PolarHBondContact OG-N 3.26Å; S137-H161 WeakPolarHBondContact CB-CE1 3.36Å; S137-H161 WeakPolarHBondContact CB-NE2 3.5Å; S137-H161 PolarHBondContact OG-CE1 3.34Å; S137-H161 PolarHBondContact OG-NE2 3.12Å
138L82.6Confident87.8Confident105 Ų10567.5 Ų67.555%0.5535%0.354SS..THydrogen-bonded Turntrans50.330.7-175.8-55.5178.3000113.8K140 E163L138-K140 VanDerWaalsContact C-N 3.32Å; L138-K140 PolarHBondContact O-N 3.15Å; L138-E163 HydrophobicContact CD1-CB 4.07Å
139G85.2Confident87.9Confident78 Ų7865.5 Ų65.580%0.80434%0.342SS*.THydrogen-bonded Turntrans76.58.2-17700000115.6S137S137-G139 PolarHBondContact O-N 3.34Å; S137-G139 VanDerWaalsContact O-N 3.07Å
140K87.8Confident87.9Confident95 Ų9570.1 Ų70.141%0.41336%0.363SS..EExtended strand (participates in β ladder)trans-118.8149.8175.3-49-168.1-155.4-590111P123 T136 S137 L138 E163P123-K140 HydrophobicContact CG-CD 4.4Å; T136-K140 CarbonylContact C-O 3.57Å; T136-K140 WeakPolarHBondContact CA-O 3.5Å; S137-K140 PolarHBondContact N-O 2.88Å; S137-K140 PolarHBondContact O-N 3.22Å; L138-K140 VanDerWaalsContact C-N 3.32Å; L138-K140 PolarHBondContact O-N 3.15Å; K140-E163 VanDerWaalsContact CD-OE1 3.29Å; K140-E163 WeakPolarHBondContact CD-OE1 3.35Å; K140-E163 VanDerWaalsContact CD-OE2 3.27Å; K140-E163 WeakPolarHBondContact CD-OE2 3.24Å; K140-E163 WeakPolarHBondContact CE-OE1 3.43Å; K140-E163 WeakPolarHBondContact CE-OE2 3.42Å
141D91.3Very high87.9Confident28 Ų2870.1 Ų70.115%0.1536%0.362CS..EExtended strand (participates in β ladder)trans-97.2136.7176-75.9-50.3000111.8S120 C122 P123 V129 T136S120-D141 VanDerWaalsContact CB-OD2 3.3Å; S120-D141 WeakPolarHBondContact CB-OD2 3.43Å; S120-D141 WeakPolarHBondContact OG-CB 3.44Å; S120-D141 VanDerWaalsContact OG-CG 3.31Å; S120-D141 PolarHBondContact OG-OD2 3.35Å; C122-D141 WeakPolarHBondContact CA-O 3.34Å; P123-D141 WeakPolarHBondContact CD-O 3.41Å; V129-D141 HydrophobicContact CB-CB 4.36Å; V129-D141 HydrophobicContact CG1-CB 4.46Å; V129-D141 HydrophobicContact CG2-CB 4.35Å; T136-D141 WeakPolarHBondContact CA-OD1 3.37Å; T136-D141 VanDerWaalsContact CB-OD1 3.28Å; T136-D141 WeakPolarHBondContact CB-OD1 3.4Å; T136-D141 PolarHBondContact OG1-OD1 3.09Å
142W91.5Very high88.2Confident0 Ų066.5 Ų66.50%035%0.352CS..EExtended strand (participates in β ladder)trans-128150179.2-5571.1000109.8P123 R124 K134 V135 L147 E163 G166 A168P123-W142 HydrophobicContact CG-CD2 3.88Å; P123-W142 HydrophobicContact CG-CE3 3.98Å; P123-W142 HydrophobicContact CG-CH2 3.65Å; P123-W142 HydrophobicContact CG-CZ2 3.53Å; P123-W142 HydrophobicContact CG-CZ3 3.88Å; R124-W142 HydrophobicContact CB-CE3 4.3Å; R124-W142 HydrophobicContact CB-CZ3 4.06Å; K134-W142 CarbonylContact C-O 3.6Å; V135-W142 PolarHBondContact N-O 2.85Å; V135-W142 PolarHBondContact O-N 3.32Å; W142-L147 HydrophobicContact CB-CB 4.37Å; W142-L147 HydrophobicContact CB-CD1 3.95Å; W142-L147 HydrophobicContact CD2-CD1 3.56Å; W142-L147 HydrophobicContact CE3-CD1 3.94Å; W142-L147 HydrophobicContact CG-CD1 3.57Å; W142-E163 HydrophobicContact CH2-CG 4.16Å; W142-E163 HydrophobicContact CZ2-CG 3.95Å; W142-G166 VanDerWaalsContact CH2-O 3.24Å; W142-G166 WeakPolarHBondContact CH2-O 3.5Å; W142-G166 WeakPolarHBondContact CZ3-O 3.3Å; W142-A168 HydrophobicContact CH2-CB 3.89Å; W142-A168 HydrophobicContact CZ3-CB 3.94Å
143H91.4Very high88.4Confident14 Ų1466 Ų667%0.06534%0.343CS..EExtended strand (participates in β ladder)trans-70.3143.4162.7-46.885.9000109.7C122 C125 T128 E133 P145 C146 L147C122-H143 VanDerWaalsContact CB-CE1 3.43Å; C122-H143 WeakPolarHBondContact CB-CE1 3.49Å; C122-H143 VanDerWaalsContact CB-ND1 3.32Å; C122-H143 WeakPolarHBondContact CB-ND1 3.49Å; C125-H143 PolarHBondContact SG-CE1 3.23Å; C125-H143 PolarHBondContact SG-ND1 3.43Å; T128-H143 PolarHBondContact O-NE2 2.84Å; E133-H143 WeakPolarHBondContact O-CA 3.32Å; E133-H143 IonicContact OE2-CD2 2.64Å; H143-P145 HydrophobicContact CB-CG 4.18Å; H143-C146 HydrophobicContact CB-CB 4.11Å; H143-C146 WeakPolarHBondContact O-CA 3.42Å; H143-C146 WeakPolarHBondContact O-CB 3.31Å; H143-C146 PolarHBondContact O-N 2.95Å; H143-L147 PolarHBondContact O-N 3.45Å; H143-L147 VanDerWaalsContact O-N 3.17Å
144R88.4Confident88.6Confident174 Ų17468.6 Ų68.666%0.65735%0.353SS*.THydrogen-bonded Turntrans-40.2-51.3170.2-75.8178.7168.5-162.7-5.3114.9E133 V135 C146E133-R144 PolarHBondContact O-N 3.04Å; V135-R144 HydrophobicContact CG2-CB 4.26Å; V135-R144 HydrophobicContact CG2-CG 3.39Å; R144-C146 VanDerWaalsContact C-N 3.34Å; R144-C146 PolarHBondContact O-N 3.41Å
145P88.3Confident88.7Confident85 Ų8569.7 Ų69.755%0.55237%0.367SS*.THydrogen-bonded Turntrans-73.5-20.1177.428.7-37.1000114.6H143H143-P145 HydrophobicContact CB-CG 4.18Å
146C89.7Confident88.6Confident18 Ų1869.6 Ų69.612%0.12237%0.366CS..THydrogen-bonded Turntrans-77.8-24176.8-71.60000112.3R124 C125 H143 R144 R148R124-C146 HydrophobicContact CB-CB 4.26Å; R124-C146 WeakPolarHBondContact CD-O 3.49Å; R124-C146 PolarHBondContact NH1-O 3.43Å; C125-C146 VanDerWaalsContact SG-SG 3.69Å; H143-C146 HydrophobicContact CB-CB 4.11Å; H143-C146 WeakPolarHBondContact O-CA 3.42Å; H143-C146 WeakPolarHBondContact O-CB 3.31Å; H143-C146 PolarHBondContact O-N 2.95Å; R144-C146 VanDerWaalsContact C-N 3.34Å; R144-C146 PolarHBondContact O-N 3.41Å; C146-R148 PolarHBondContact O-N 2.86Å
147L90.5Very high88.4Confident3 Ų368.4 Ų68.42%0.01636%0.364CS..  trans-80.362.1178.9-157.977.1000112.7V135 W142 H143 L156 H161 A168V135-L147 HydrophobicContact CG1-CD2 3.86Å; W142-L147 HydrophobicContact CB-CB 4.37Å; W142-L147 HydrophobicContact CB-CD1 3.95Å; W142-L147 HydrophobicContact CD2-CD1 3.56Å; W142-L147 HydrophobicContact CE3-CD1 3.94Å; W142-L147 HydrophobicContact CG-CD1 3.57Å; H143-L147 PolarHBondContact O-N 3.45Å; H143-L147 VanDerWaalsContact O-N 3.17Å; L147-L156 HydrophobicContact CD2-CB 4.43Å; L147-L156 HydrophobicContact CG-CB 4.2Å; L147-L156 PolarHBondContact O-N 3.49Å; L147-H161 VanDerWaalsContact CD1-CE1 3.5Å; L147-H161 WeakPolarHBondContact CD1-CE1 3.5Å; L147-A168 HydrophobicContact CD1-CB 4.31Å
148R90.9Very high88.5Confident126 Ų12671.9 Ų71.948%0.47539%0.386SS..BIsolated β-bridgetrans-124.4144.8176.797.8-157.7174.9162.93110.4R124 C146 E150 K154R124-R148 PolarHBondContact NH1-O 3.08Å; C146-R148 PolarHBondContact O-N 2.86Å; R148-E150 PolarHBondContact O-N 2.92Å; R148-K154 CarbonylContact C-O 3.56Å; R148-K154 WeakPolarHBondContact CA-O 3.36Å
149C91.8Very high88.4Confident0 Ų069.6 Ų69.60%039%0.388CS..  trans-62.1134.9176.6-172.60000110.4C152 S153 K154 L156 A168C149-C152 VanDerWaalsContact CB-SG 3.5Å; C149-S153 WeakPolarHBondContact O-CA 3.5Å; C149-S153 PolarHBondContact O-N 2.86Å; C149-S153 VanDerWaalsContact O-N 3.1Å; C149-K154 PolarHBondContact N-O 3.31Å; C149-L156 HydrophobicContact CB-CD1 4.23Å; C149-L156 HydrophobicContact CB-CD2 4.41Å; C149-L156 HydrophobicContact CB-CG 4.43Å; C149-A168 VanDerWaalsContact CA-O 3.31Å; C149-A168 WeakPolarHBondContact CA-O 3.43Å
150E89.7Confident88.3Confident102 Ų10269.5 Ų69.548%0.47738%0.375SS..THydrogen-bonded Turntrans-58.4-63.3173.3-171.787.2-174.600110.7R124 R148 C152 A168 Y169R124-E150 IonicContact CZ-OE2 2.78Å; R124-E150 IonicContact NH2-OE2 3.6Å; R124-E150 PolarHBondContact NH2-OE2 3Å; R148-E150 PolarHBondContact O-N 2.92Å; E150-C152 PolarHBondContact O-N 2.8Å; E150-A168 PolarHBondContact N-O 3.5Å; E150-Y169 HydrophobicContact CB-CD1 4.38Å; E150-Y169 HydrophobicContact CB-CE1 3.76Å; E150-Y169 HydrophobicContact CG-CE1 4.5Å
151R88Confident88.3Confident143 Ų14365 Ų6554%0.5436%0.355SS..THydrogen-bonded Turntrans-64.6-34.6-170.7179.8171.6172.7-168.9-4.2116T177R151-T177 PolarHBondContact NH1-OG1 2.89Å
152C89.7Confident88.2Confident53 Ų5364 Ų6436%0.35835%0.352SS..THydrogen-bonded Turntrans-120.311.4-174.971.60000114.3C149 E150 K154 C170C149-C152 VanDerWaalsContact CB-SG 3.5Å; E150-C152 PolarHBondContact O-N 2.8Å; C152-K154 PolarHBondContact O-N 3.17Å; C152-C170 VanDerWaalsContact SG-SG 3.67Å
153S88.4Confident88Confident85 Ų8566 Ų6659%0.59436%0.361SS*.  trans52.6-6.9-178.571.60000118C149 T155C149-S153 WeakPolarHBondContact O-CA 3.5Å; C149-S153 PolarHBondContact O-N 2.86Å; C149-S153 VanDerWaalsContact O-N 3.1Å; S153-T155 PolarHBondContact O-N 3.06Å
154K87.9Confident87.8Confident139 Ų13968.1 Ų68.160%0.60437%0.371SS*.PPolyproline II helixtrans-57.2126.1-177.4-174.1-179.7179.2-1790112R148 C149 C152 L156R148-K154 CarbonylContact C-O 3.56Å; R148-K154 WeakPolarHBondContact CA-O 3.36Å; C149-K154 PolarHBondContact N-O 3.31Å; C152-K154 PolarHBondContact O-N 3.17Å; K154-L156 PolarHBondContact O-N 3.5Å
155T89.1Confident87.7Confident108 Ų10865.7 Ų65.766%0.66337%0.371SS*.BIsolated β-bridgetrans-58.8130.4168.7-44.40000110.2S153S153-T155 PolarHBondContact O-N 3.06Å
156L88.2Confident87.5Confident18 Ų1862.3 Ų62.39%0.09435%0.351CS..PPolyproline II helixtrans-100.1151.5-176.2-63.4162.2000110L147 C149 K154 H161 A168 C170L147-L156 HydrophobicContact CD2-CB 4.43Å; L147-L156 HydrophobicContact CG-CB 4.2Å; L147-L156 PolarHBondContact O-N 3.49Å; C149-L156 HydrophobicContact CB-CD1 4.23Å; C149-L156 HydrophobicContact CB-CD2 4.41Å; C149-L156 HydrophobicContact CB-CG 4.43Å; K154-L156 PolarHBondContact O-N 3.5Å; L156-H161 HydrophobicContact CB-CB 4.2Å; L156-H161 HydrophobicContact CD1-CB 3.73Å; L156-H161 HydrophobicContact CD2-CB 4.1Å; L156-H161 HydrophobicContact CG-CB 4.22Å; L156-A168 HydrophobicContact CD1-CB 3.54Å; L156-C170 HydrophobicContact CD2-CB 4.38Å; L156-C170 WeakPolarHBondContact CD2-SG 2.98Å
157A85.1Confident87.4Confident55 Ų5564.4 Ų64.446%0.45536%0.359SS..PPolyproline II helixtrans-81.5149.4168.200000110.1S160 H161A157-S160 PolarHBondContact O-N 3.03Å; A157-H161 PolarHBondContact O-CE1 3.07Å; A157-H161 PolarHBondContact O-ND1 2.81Å
158P82.4Confident87.4Confident80 Ų8064.2 Ų64.252%0.51936%0.358SS..THydrogen-bonded Turntrans-53.6141.5164.122.8-32000110.4V135 S160V135-P158 HydrophobicContact CG1-CB 3.73Å; V135-P158 HydrophobicContact CG1-CG 4.15Å; P158-S160 PolarHBondContact O-N 3.36Å; P158-S160 VanDerWaalsContact O-N 3.11Å
159G82.1Confident87.5Confident58 Ų5859 Ų5960%0.59834%0.339SS*.THydrogen-bonded Turntrans71.6-7.7179.600000116.8S137S137-G159 PolarHBondContact OG-N 3.26Å
160S82.7Confident87.4Confident75 Ų7559.7 Ų59.752%0.52434%0.343SS..SBendtrans-120.149.3-179.1-158.50000112.7A157 P158A157-S160 PolarHBondContact O-N 3.03Å; P158-S160 PolarHBondContact O-N 3.36Å; P158-S160 VanDerWaalsContact O-N 3.11Å
161H87.1Confident87.4Confident0 Ų059.1 Ų59.10%034%0.34CS..  trans-152.6157.7173.153.9-95.9000111S137 L147 L156 A157 Y169 H171S137-H161 WeakPolarHBondContact CB-CE1 3.36Å; S137-H161 WeakPolarHBondContact CB-NE2 3.5Å; S137-H161 PolarHBondContact OG-CE1 3.34Å; S137-H161 PolarHBondContact OG-NE2 3.12Å; L147-H161 VanDerWaalsContact CD1-CE1 3.5Å; L147-H161 WeakPolarHBondContact CD1-CE1 3.5Å; L156-H161 HydrophobicContact CB-CB 4.2Å; L156-H161 HydrophobicContact CD1-CB 3.73Å; L156-H161 HydrophobicContact CD2-CB 4.1Å; L156-H161 HydrophobicContact CG-CB 4.22Å; A157-H161 PolarHBondContact O-CE1 3.07Å; A157-H161 PolarHBondContact O-ND1 2.81Å; H161-Y169 WeakPolarHBondContact CA-O 3.42Å; H161-Y169 WeakPolarHBondContact CB-O 3.45Å; H161-H171 VanDerWaalsContact C-NE2 3.26Å; H161-H171 WeakPolarHBondContact CA-NE2 3.27Å; H161-H171 PolarHBondContact N-NE2 2.8Å; H161-H171 VanDerWaalsContact N-NE2 3.12Å; H161-H171 PolarHBondContact O-CE1 2.94Å; H161-H171 VanDerWaalsContact O-CE1 3.28Å; H161-H171 PolarHBondContact O-NE2 3.29Å
162A89.4Confident87.2Confident9 Ų960.9 Ų60.97%0.07435%0.352CS..EExtended strand (participates in β ladder)trans-95.3153.6165.800000109.7Y169 Y175A162-Y169 PolarHBondContact N-O 2.99Å; A162-Y169 PolarHBondContact O-N 3.28Å; A162-Y175 HydrophobicContact CB-CD1 4.04Å; A162-Y175 HydrophobicContact CB-CD2 3.28Å; A162-Y175 HydrophobicContact CB-CE1 4.34Å; A162-Y175 HydrophobicContact CB-CE2 3.61Å; A162-Y175 HydrophobicContact CB-CG 3.52Å
163E88.4Confident87.1Confident42 Ų4262.6 Ų62.620%0.19636%0.362CS..EExtended strand (participates in β ladder)trans-111.8140.4171.4-174.4-178.1161.800109.2L138 K140 W142 G166 Q167L138-E163 HydrophobicContact CD1-CB 4.07Å; K140-E163 VanDerWaalsContact CD-OE1 3.29Å; K140-E163 WeakPolarHBondContact CD-OE1 3.35Å; K140-E163 VanDerWaalsContact CD-OE2 3.27Å; K140-E163 WeakPolarHBondContact CD-OE2 3.24Å; K140-E163 WeakPolarHBondContact CE-OE1 3.43Å; K140-E163 WeakPolarHBondContact CE-OE2 3.42Å; W142-E163 HydrophobicContact CH2-CG 4.16Å; W142-E163 HydrophobicContact CZ2-CG 3.95Å; E163-G166 WeakPolarHBondContact OE1-CA 3.4Å; E163-Q167 WeakPolarHBondContact CA-O 3.43Å
164H86.8Confident87.1Confident57 Ų5758.8 Ų58.826%0.26434%0.336SS..EExtended strand (participates in β ladder)trans-141.5131.9167.5-154.3-77.1000107.2G166 Q167 Y169 Y175 F179H164-G166 VanDerWaalsContact C-N 3.25Å; H164-G166 PolarHBondContact O-N 3.11Å; H164-G166 VanDerWaalsContact O-N 3.09Å; H164-Q167 PolarHBondContact N-O 3.33Å; H164-Q167 WeakPolarHBondContact O-CA 3.42Å; H164-Q167 WeakPolarHBondContact O-CB 3.41Å; H164-Q167 PolarHBondContact O-N 3.45Å; H164-Y169 HydrophobicContact CB-CD2 4.13Å; H164-Y169 HydrophobicContact CB-CE2 3.91Å; H164-Y175 HydrophobicContact CB-CE2 4.3Å; H164-F179 HydrophobicContact CB-CD2 4.17Å; H164-F179 HydrophobicContact CB-CE1 4.41Å; H164-F179 HydrophobicContact CB-CE2 3.74Å; H164-F179 HydrophobicContact CB-CZ 3.86Å; H164-F179 AromaticContact CD2-CD1 3.43Å; H164-F179 VanDerWaalsContact CD2-CD1 3.43Å; H164-F179 WeakPolarHBondContact CD2-CD1 3.34Å; H164-F179 AromaticContact CD2-CD2 3.83Å; H164-F179 AromaticContact CD2-CE1 3.69Å; H164-F179 AromaticContact CD2-CG 3.5Å; H164-F179 VanDerWaalsContact CD2-CG 3.5Å; H164-F179 WeakPolarHBondContact CD2-CG 3.28Å; H164-F179 AromaticContact CD2-CZ 3.99Å; H164-F179 AromaticContact CE1-CD1 3.7Å; H164-F179 AromaticContact CE1-CE1 3.51Å; H164-F179 AromaticContact CG-CD1 3.88Å; H164-F179 AromaticContact CG-CE1 3.63Å; H164-F179 AromaticContact CG-CE2 3.8Å; H164-F179 AromaticContact CG-CZ 3.58Å; H164-F179 AromaticContact ND1-CE1 3.5Å; H164-F179 WeakPolarHBondContact ND1-CE1 3.33Å; H164-F179 AromaticContact ND1-CZ 3.71Å; H164-F179 AromaticContact NE2-CD1 3.31Å; H164-F179 VanDerWaalsContact NE2-CD1 3.31Å; H164-F179 WeakPolarHBondContact NE2-CD1 3.3Å; H164-F179 AromaticContact NE2-CE1 3.62Å; H164-F179 AromaticContact NE2-CG 3.83Å
165D84.9Confident87.2Confident123 Ų12355.6 Ų55.666%0.65832%0.32SS*.THydrogen-bonded Turntrans46.840.3178.7-51.9-44000115.6Q167D165-Q167 PolarHBondContact O-N 2.84Å; D165-Q167 PolarHBondContact O-NE2 2.88Å
166G84.9Confident87.2Confident14 Ų1452.7 Ų52.714%0.14431%0.307CS..THydrogen-bonded Turntrans738.2-178.200000115.1R124 W142 E163 H164R124-G166 PolarHBondContact N-O 2.89Å; W142-G166 VanDerWaalsContact CH2-O 3.24Å; W142-G166 WeakPolarHBondContact CH2-O 3.5Å; W142-G166 WeakPolarHBondContact CZ3-O 3.3Å; E163-G166 WeakPolarHBondContact OE1-CA 3.4Å; H164-G166 VanDerWaalsContact C-N 3.25Å; H164-G166 PolarHBondContact O-N 3.11Å; H164-G166 VanDerWaalsContact O-N 3.09Å
167Q87.8Confident87.1Confident62 Ų6255.8 Ų55.829%0.2933%0.327SS..EExtended strand (participates in β ladder)trans-110.6136.4-179.6-57.9139.341.700109.9E163 H164 D165 Y169E163-Q167 WeakPolarHBondContact CA-O 3.43Å; H164-Q167 PolarHBondContact N-O 3.33Å; H164-Q167 WeakPolarHBondContact O-CA 3.42Å; H164-Q167 WeakPolarHBondContact O-CB 3.41Å; H164-Q167 PolarHBondContact O-N 3.45Å; D165-Q167 PolarHBondContact O-N 2.84Å; D165-Q167 PolarHBondContact O-NE2 2.88Å; Q167-Y169 HydrophobicContact CB-CE2 3.78Å; Q167-Y169 WeakPolarHBondContact O-CD2 3.26Å; Q167-Y169 PolarHBondContact OE1-OH 3.09Å; Q167-Y169 VanDerWaalsContact OE1-OH 3.08Å
168A91Very high87.1Confident0 Ų056.3 Ų56.30%032%0.322CS..EExtended strand (participates in β ladder)trans-88.6139.8179.800000111.5W142 L147 C149 E150 L156W142-A168 HydrophobicContact CH2-CB 3.89Å; W142-A168 HydrophobicContact CZ3-CB 3.94Å; L147-A168 HydrophobicContact CD1-CB 4.31Å; C149-A168 VanDerWaalsContact CA-O 3.31Å; C149-A168 WeakPolarHBondContact CA-O 3.43Å; E150-A168 PolarHBondContact N-O 3.5Å; L156-A168 HydrophobicContact CD1-CB 3.54Å
169Y91.3Very high87.3Confident16 Ų1655.8 Ų55.86%0.06331%0.312CS..EExtended strand (participates in β ladder)trans-135.4145.3179.8-67-88000112.3E150 H161 A162 H164 Q167 H171 L178 F179E150-Y169 HydrophobicContact CB-CD1 4.38Å; E150-Y169 HydrophobicContact CB-CE1 3.76Å; E150-Y169 HydrophobicContact CG-CE1 4.5Å; H161-Y169 WeakPolarHBondContact CA-O 3.42Å; H161-Y169 WeakPolarHBondContact CB-O 3.45Å; A162-Y169 PolarHBondContact N-O 2.99Å; A162-Y169 PolarHBondContact O-N 3.28Å; H164-Y169 HydrophobicContact CB-CD2 4.13Å; H164-Y169 HydrophobicContact CB-CE2 3.91Å; Q167-Y169 HydrophobicContact CB-CE2 3.78Å; Q167-Y169 WeakPolarHBondContact O-CD2 3.26Å; Q167-Y169 PolarHBondContact OE1-OH 3.09Å; Q167-Y169 VanDerWaalsContact OE1-OH 3.08Å; Y169-H171 PolarHBondContact O-N 2.98Å; Y169-L178 HydrophobicContact CD1-CD1 4.08Å; Y169-L178 HydrophobicContact CE1-CD1 3.69Å; Y169-F179 HydrophobicContact CD2-CE2 4.06Å; Y169-F179 HydrophobicContact CE1-CE2 4.33Å; Y169-F179 AromaticContact CE2-CE2 3.8Å; Y169-F179 HydrophobicContact CE2-CE2 3.8Å; Y169-F179 HydrophobicContact CE2-CZ 4.21Å; Y169-F179 HydrophobicContact CG-CE2 4.44Å; Y169-F179 AromaticContact CZ-CE2 3.93Å
170C91.6Very high87.2Confident14 Ų1453.9 Ų53.910%0.09529%0.292CS..  trans-62.9127.2167.2-59.20000110.1C152 L156 K172 C174 Y175C152-C170 VanDerWaalsContact SG-SG 3.67Å; L156-C170 HydrophobicContact CD2-CB 4.38Å; L156-C170 WeakPolarHBondContact CD2-SG 2.98Å; C170-K172 PolarHBondContact O-N 3.45Å; C170-K172 VanDerWaalsContact O-N 3.15Å; C170-C174 HydrophobicContact CB-CB 4.17Å; C170-C174 PolarHBondContact O-N 3.14Å; C170-Y175 WeakPolarHBondContact O-CB 3.4Å; C170-Y175 PolarHBondContact O-N 2.82Å
171H87.8Confident87.1Confident90 Ų9056.7 Ų56.742%0.41731%0.309SS..Iπ-helixtrans-47.5-45.5176.4-67.4-74.8000112.7H161 Y169 A176H161-H171 VanDerWaalsContact C-NE2 3.26Å; H161-H171 WeakPolarHBondContact CA-NE2 3.27Å; H161-H171 PolarHBondContact N-NE2 2.8Å; H161-H171 VanDerWaalsContact N-NE2 3.12Å; H161-H171 PolarHBondContact O-CE1 2.94Å; H161-H171 VanDerWaalsContact O-CE1 3.28Å; H161-H171 PolarHBondContact O-NE2 3.29Å; Y169-H171 PolarHBondContact O-N 2.98Å; H171-A176 PolarHBondContact O-N 2.93Å
172K85.2Confident86.4Confident181 Ų18165.5 Ų65.579%0.78735%0.347SS*.Iπ-helixtrans-132.2140.2173.5-63178.8-178.4177.20109.4C170 A176C170-K172 PolarHBondContact O-N 3.45Å; C170-K172 VanDerWaalsContact O-N 3.15Å; K172-A176 HydrophobicContact CG-CB 4.5Å
173P86.9Confident85Confident88 Ų8867.9 Ų67.957%0.57137%0.372SS*.Iπ-helixcis-81.7-14.6-10.334.4-35.5000113.5T177P173-T177 WeakPolarHBondContact O-CB 3.29Å; P173-T177 WeakPolarHBondContact O-CG2 3.49Å; P173-T177 PolarHBondContact O-N 3.24Å; P173-T177 PolarHBondContact O-OG1 2.85Å
174C89.2Confident83.7Confident5 Ų571.5 Ų71.53%0.03440%0.397CS..Iπ-helixtrans-62.9-54-161.8-67.40000114C170 T177 L178C170-C174 HydrophobicContact CB-CB 4.17Å; C170-C174 PolarHBondContact O-N 3.14Å; C174-T177 PolarHBondContact O-OG1 2.79Å; C174-L178 WeakPolarHBondContact O-CG 3.4Å; C174-L178 PolarHBondContact O-N 3.07Å
175Y89.8Confident82Confident72 Ų7276.6 Ų76.628%0.28243%0.426SS..Iπ-helixtrans-65.6-50.1178.9-175.9-90.5000110.9A162 H164 C170 T177 L178 F179 G180A162-Y175 HydrophobicContact CB-CD1 4.04Å; A162-Y175 HydrophobicContact CB-CD2 3.28Å; A162-Y175 HydrophobicContact CB-CE1 4.34Å; A162-Y175 HydrophobicContact CB-CE2 3.61Å; A162-Y175 HydrophobicContact CB-CG 3.52Å; H164-Y175 HydrophobicContact CB-CE2 4.3Å; C170-Y175 WeakPolarHBondContact O-CB 3.4Å; C170-Y175 PolarHBondContact O-N 2.82Å; Y175-T177 PolarHBondContact O-N 2.9Å; Y175-T177 VanDerWaalsContact O-N 3.09Å; Y175-L178 PolarHBondContact O-N 3.14Å; Y175-F179 HydrophobicContact CD2-CB 4.38Å; Y175-F179 AromaticContact CD2-CD2 3.54Å; Y175-F179 HydrophobicContact CD2-CD2 3.54Å; Y175-F179 HydrophobicContact CD2-CE2 4.29Å; Y175-F179 HydrophobicContact CD2-CG 4.37Å; Y175-F179 HydrophobicContact CE1-CB 4.2Å; Y175-F179 HydrophobicContact CE2-CB 4.06Å; Y175-F179 AromaticContact CE2-CD2 3.75Å; Y175-F179 HydrophobicContact CE2-CD2 3.75Å; Y175-F179 HydrophobicContact CE2-CG 4.21Å; Y175-F179 HydrophobicContact CG-CD2 4.16Å; Y175-F179 PolarHBondContact O-N 3.26Å; Y175-G180 PolarHBondContact O-N 2.84Å
176A87.9Confident80.4Confident47 Ų4776.4 Ų76.439%0.38843%0.429SS..THydrogen-bonded Turntrans-57.6-25.7-179.400000115.1H171 K172 G180H171-A176 PolarHBondContact O-N 2.93Å; K172-A176 HydrophobicContact CG-CB 4.5Å; A176-G180 VanDerWaalsContact O-CA 3.31Å; A176-G180 WeakPolarHBondContact O-CA 2.94Å; A176-G180 PolarHBondContact O-N 3.01Å
177T86.5Confident78.8Confident84 Ų8478.8 Ų78.852%0.51545%0.454SS..THydrogen-bonded Turntrans-97.4-5.1178.351.60000114.4R151 P173 C174 Y175R151-T177 PolarHBondContact NH1-OG1 2.89Å; P173-T177 WeakPolarHBondContact O-CB 3.29Å; P173-T177 WeakPolarHBondContact O-CG2 3.49Å; P173-T177 PolarHBondContact O-N 3.24Å; P173-T177 PolarHBondContact O-OG1 2.85Å; C174-T177 PolarHBondContact O-OG1 2.79Å; Y175-T177 PolarHBondContact O-N 2.9Å; Y175-T177 VanDerWaalsContact O-N 3.09Å
178L85.3Confident77.2Confident66 Ų6679.7 Ų79.735%0.34648%0.48SS..THydrogen-bonded Turntrans-105.1-47.2173.5-68.1171.8000111.2Y169 C174 Y175Y169-L178 HydrophobicContact CD1-CD1 4.08Å; Y169-L178 HydrophobicContact CE1-CD1 3.69Å; C174-L178 WeakPolarHBondContact O-CG 3.4Å; C174-L178 PolarHBondContact O-N 3.07Å; Y175-L178 PolarHBondContact O-N 3.14Å
179F86Confident75.3Confident69 Ų6986 Ų8630%0.30352%0.518SS..THydrogen-bonded Turntrans-124.21.2-169.4-45.1-70.2000113.4H164 Y169 Y175H164-F179 HydrophobicContact CB-CD2 4.17Å; H164-F179 HydrophobicContact CB-CE1 4.41Å; H164-F179 HydrophobicContact CB-CE2 3.74Å; H164-F179 HydrophobicContact CB-CZ 3.86Å; H164-F179 AromaticContact CD2-CD1 3.43Å; H164-F179 VanDerWaalsContact CD2-CD1 3.43Å; H164-F179 WeakPolarHBondContact CD2-CD1 3.34Å; H164-F179 AromaticContact CD2-CD2 3.83Å; H164-F179 AromaticContact CD2-CE1 3.69Å; H164-F179 AromaticContact CD2-CG 3.5Å; H164-F179 VanDerWaalsContact CD2-CG 3.5Å; H164-F179 WeakPolarHBondContact CD2-CG 3.28Å; H164-F179 AromaticContact CD2-CZ 3.99Å; H164-F179 AromaticContact CE1-CD1 3.7Å; H164-F179 AromaticContact CE1-CE1 3.51Å; H164-F179 AromaticContact CG-CD1 3.88Å; H164-F179 AromaticContact CG-CE1 3.63Å; H164-F179 AromaticContact CG-CE2 3.8Å; H164-F179 AromaticContact CG-CZ 3.58Å; H164-F179 AromaticContact ND1-CE1 3.5Å; H164-F179 WeakPolarHBondContact ND1-CE1 3.33Å; H164-F179 AromaticContact ND1-CZ 3.71Å; H164-F179 AromaticContact NE2-CD1 3.31Å; H164-F179 VanDerWaalsContact NE2-CD1 3.31Å; H164-F179 WeakPolarHBondContact NE2-CD1 3.3Å; H164-F179 AromaticContact NE2-CE1 3.62Å; H164-F179 AromaticContact NE2-CG 3.83Å; Y169-F179 HydrophobicContact CD2-CE2 4.06Å; Y169-F179 HydrophobicContact CE1-CE2 4.33Å; Y169-F179 AromaticContact CE2-CE2 3.8Å; Y169-F179 HydrophobicContact CE2-CE2 3.8Å; Y169-F179 HydrophobicContact CE2-CZ 4.21Å; Y169-F179 HydrophobicContact CG-CE2 4.44Å; Y169-F179 AromaticContact CZ-CE2 3.93Å; Y175-F179 HydrophobicContact CD2-CB 4.38Å; Y175-F179 AromaticContact CD2-CD2 3.54Å; Y175-F179 HydrophobicContact CD2-CD2 3.54Å; Y175-F179 HydrophobicContact CD2-CE2 4.29Å; Y175-F179 HydrophobicContact CD2-CG 4.37Å; Y175-F179 HydrophobicContact CE1-CB 4.2Å; Y175-F179 HydrophobicContact CE2-CB 4.06Å; Y175-F179 AromaticContact CE2-CD2 3.75Å; Y175-F179 HydrophobicContact CE2-CD2 3.75Å; Y175-F179 HydrophobicContact CE2-CG 4.21Å; Y175-F179 HydrophobicContact CG-CD2 4.16Å; Y175-F179 PolarHBondContact O-N 3.26Å
180G81.6Confident73.3Confident17 Ų1788.9 Ų88.918%0.17555%0.553CS.*SBendtrans-68.3160.9166.800000111.1Y175 A176 K182Y175-G180 PolarHBondContact O-N 2.84Å; A176-G180 VanDerWaalsContact O-CA 3.31Å; A176-G180 WeakPolarHBondContact O-CA 2.94Å; A176-G180 PolarHBondContact O-N 3.01Å; G180-K182 PolarHBondContact O-N 3.47Å
181P80.1Confident71.5Confident135 Ų13593 Ų9388%0.87758%0.582SS**  trans-57.4116.6175.524.9-33.5000109.1G183P181-G183 VanDerWaalsContact C-N 3.26Å; P181-G183 PolarHBondContact O-N 2.91Å
182K71.8Confident69.8Low184 Ų18498.9 Ų98.980%0.860%0.602SS**  trans-69.389.7174.1-70.8176.6-177.5170.50107.5G180 V184G180-K182 PolarHBondContact O-N 3.47Å; K182-V184 PolarHBondContact O-N 3.07Å
183G60.8Low68.8Low59 Ų5996.8 Ų96.861%0.60860%0.598SS**  trans-57.7104.1177.400000109.7P181 N185P181-G183 VanDerWaalsContact C-N 3.26Å; P181-G183 PolarHBondContact O-N 2.91Å; G183-N185 PolarHBondContact O-N 2.6Å; G183-N185 VanDerWaalsContact O-N 3.13Å
184V61.6Low67.2Low119 Ų119102.6 Ų102.672%0.72161%0.61SS**  trans-61.1114.4162.4-70.20000106.3K182 T186K182-V184 PolarHBondContact O-N 3.07Å; V184-T186 HydrophobicContact CG2-CG2 4.43Å; V184-T186 PolarHBondContact O-N 2.61Å
185N49.2Very low65.7Low164 Ų164109.9 Ų109.988%0.87764%0.643SS**  trans-75.881.9171.5-71.6-70.4000107.1G183 G187G183-N185 PolarHBondContact O-N 2.6Å; G183-N185 VanDerWaalsContact O-N 3.13Å; N185-G187 PolarHBondContact O-N 2.9Å
186T52.9Low64Low118 Ų118115.3 Ų115.372%0.72467%0.671SS**  trans-70.651.5169.925.70000111V184 G188V184-T186 HydrophobicContact CG2-CG2 4.43Å; V184-T186 PolarHBondContact O-N 2.61Å; T186-G188 PolarHBondContact O-N 3.25Å; T186-G188 VanDerWaalsContact O-N 3.1Å
187G51.4Low61.9Low64 Ų64118.3 Ų118.366%0.6669%0.686SS**  trans-79.879.117600000111.4N185 V189N185-G187 PolarHBondContact O-N 2.9Å; G187-V189 VanDerWaalsContact C-N 3.3Å; G187-V189 PolarHBondContact O-N 2.85Å
188G53.8Low60.2Low81 Ų81118.3 Ų118.384%0.83569%0.69SS**SBendtrans75.6-9.9155.200000118.9T186T186-G188 PolarHBondContact O-N 3.25Å; T186-G188 VanDerWaalsContact O-N 3.1Å
189V51.5Low58.4Low132 Ų132122.4 Ų122.480%0.872%0.718SS**SBendtrans-131.4134.4171.6-75.40000111.4G187G187-V189 VanDerWaalsContact C-N 3.3Å; G187-V189 PolarHBondContact O-N 2.85Å
190G49.3Very low56.8Low77 Ų77126.5 Ų126.579%0.79474%0.738SS**  trans-80.7120.8-168.700000114
191S52.1Low55Low101 Ų101129.5 Ų129.571%0.70676%0.761SS**  trans-90.4108.7163.157.50000109.8I193S191-I193 PolarHBondContact O-N 2.57Å
192Y52.9Low53.5Low214 Ų214132.1 Ų132.184%0.83976%0.762SS**  trans-64.8119.8170-82.9-95.4000109.8Y194Y192-Y194 PolarHBondContact O-N 3.35Å
193I64.5Low52.2Low136 Ų136130.1 Ų130.170%0.69777%0.765SS**  trans-77.9107.2163-61.1177.1000106.2S191 H195S191-I193 PolarHBondContact O-N 2.57Å; I193-H195 PolarHBondContact O-N 2.92Å
194Y52.8Low51.6Low210 Ų210136.8 Ų136.882%0.82478%0.781SS**  trans-68101.8161.5-79.6-94.6000107.7Y192 E196Y192-Y194 PolarHBondContact O-N 3.35Å; Y194-E196 PolarHBondContact O-N 2.86Å
195H57.8Low51Low159 Ų159135.7 Ų135.774%0.73678%0.784SS**PPolyproline II helixtrans-68.5118.2149.7-73.7-96.4000106.2I193 P197I193-H195 PolarHBondContact O-N 2.92Å; H195-P197 WeakPolarHBondContact O-CD 3.42Å
196E53.8Low50.9Low185 Ų185136.4 Ų136.486%0.86478%0.782SS**PPolyproline II helixtrans-59.7120.3167.1-71.2175.892.100107.5Y194Y194-E196 PolarHBondContact O-N 2.86Å
197P45.3Very low51Low110 Ų110140.1 Ų140.171%0.71481%0.808SS**PPolyproline II helixtrans-67.3150178.129-34.1000109.6H195 T199H195-P197 WeakPolarHBondContact O-CD 3.42Å; P197-T199 PolarHBondContact O-N 2.81Å
198S50.2Low51Low85 Ų85143.9 Ų143.959%0.59482%0.815SS**PPolyproline II helixtrans-55125.4174.730.10000110.8E200S198-E200 WeakPolarHBondContact CB-OE1 3.13Å; S198-E200 PolarHBondContact O-N 2.9Å; S198-E200 PolarHBondContact OG-OE1 2.95Å
199T48.1Very low50.8Low151 Ų151147.2 Ų147.293%0.92681%0.814SS**  trans-78.968.617255.80000109.7P197P197-T199 PolarHBondContact O-N 2.81Å
200E50.9Low50.8Low155 Ų155148.1 Ų148.172%0.72482%0.815SS**  trans-105.386.4173.459.6-164.4124.500110.4S198S198-E200 WeakPolarHBondContact CB-OE1 3.13Å; S198-E200 PolarHBondContact O-N 2.9Å; S198-E200 PolarHBondContact OG-OE1 2.95Å
201A43.3Very low50.9Low80 Ų80152.2 Ų152.266%0.66182%0.816SS**  trans-161.499.4165.900000106.7
202E48.6Very low50.8Low191 Ų191155.4 Ų155.489%0.89382%0.823SS**  68.995.190-71.1-173.7117.100113.9
203T45.2Very low50.7Low142 Ų142151.5 Ų151.587%0.87182%0.822SS**  trans-135.7100.1153.556.90000109.8
204E49.4Very low49.7Very low199 Ų199152.6 Ų152.693%0.9383%0.831SS**  trans-74.4129.8166.7177.6-173.5113.300110.1
205A47.5Very low49.4Very low95 Ų95148.2 Ų148.279%0.78583%0.831SS**  trans-178.3145150.700000111.7
206Q46.9Very low48.7Very low180 Ų180147.3 Ų147.384%0.84184%0.839SS**  trans-89.8171.6163.8-53.3178.8-69.400109.5
207P55.5Low48.3Very low195 Ų195143.9 Ų143.9100%1.26684%0.837SS**  -121.6071.237.9-31.9000115

Retrieved 207 of 207 residues in 420.4 ms (Link to these results)

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