A0A060XFE9_ONCMY Loading...

Protein FAM72A

AlphaFold DB , UniProt , Accession A0A060XFE9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110494621, Length 147 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
1M39.1Very low75.6Confident237 Ų23797.5 Ų97.5100%1.16752%0.523SS*.  0111.30-68.4175.5-177.900106.3T3M1-T3 PolarHBondContact O-N 3.2Å; M1-T3 VanDerWaalsContact O-N 3.08Å
2S39.1Very low77.4Confident112 Ų11289.6 Ų89.678%0.78348%0.481SS*.  trans-66.4110.117857.40000107.5S4S2-S4 VanDerWaalsContact C-N 3.3Å; S2-S4 PolarHBondContact O-N 3.09Å
3T46.7Very low79Confident130 Ų13087 Ų8780%0.79846%0.464SS*.  trans-64.998.2168.550.40000106.2M1 N5M1-T3 PolarHBondContact O-N 3.2Å; M1-T3 VanDerWaalsContact O-N 3.08Å; T3-N5 PolarHBondContact O-N 3.38Å
4S63.2Low80.4Confident51 Ų5180.8 Ų80.836%0.35743%0.431SS..  trans-57.5109.5176.1-64.60000107.8S2 F6 C94S2-S4 VanDerWaalsContact C-N 3.3Å; S2-S4 PolarHBondContact O-N 3.09Å; S4-F6 VanDerWaalsContact C-N 3.33Å; S4-F6 WeakPolarHBondContact O-CD2 3.47Å; S4-F6 PolarHBondContact O-N 2.86Å; S4-C94 WeakPolarHBondContact CB-SG 3.47Å; S4-C94 PolarHBondContact OG-SG 3.41Å
5N78.6Confident81.7Confident89 Ų8977.1 Ų77.148%0.47641%0.411SS..  trans-83.983.6-168.6-169.9-1000109.3T3 K7T3-N5 PolarHBondContact O-N 3.38Å; N5-K7 PolarHBondContact O-N 3.25Å; N5-K7 WeakPolarHBondContact OD1-CB 3.43Å; N5-K7 VanDerWaalsContact OD1-CG 3.31Å; N5-K7 WeakPolarHBondContact OD1-CG 3.36Å; N5-K7 PolarHBondContact OD1-N 2.56Å
6F89.9Confident82.7Confident63 Ų6372.3 Ų72.328%0.27639%0.385SS..G310 helixtrans-66.7-12.6176-58.7-72.3000112.8S4 N8 K9 M28 N95 N96 W123S4-F6 VanDerWaalsContact C-N 3.33Å; S4-F6 WeakPolarHBondContact O-CD2 3.47Å; S4-F6 PolarHBondContact O-N 2.86Å; F6-N8 PolarHBondContact O-N 2.81Å; F6-K9 VanDerWaalsContact O-CB 3.3Å; F6-K9 WeakPolarHBondContact O-CB 3.45Å; F6-K9 WeakPolarHBondContact O-CG 3.38Å; F6-K9 PolarHBondContact O-N 3.43Å; F6-M28 HydrophobicContact CB-CE 3.94Å; F6-M28 HydrophobicContact CB-SD 4.22Å; F6-M28 HydrophobicContact CD1-SD 4.05Å; F6-M28 HydrophobicContact CG-SD 4.42Å; F6-N95 WeakPolarHBondContact CE2-O 3.29Å; F6-N96 HydrophobicContact CD1-CB 4.01Å; F6-N96 HydrophobicContact CD2-CB 4.09Å; F6-N96 HydrophobicContact CE1-CB 3.99Å; F6-N96 HydrophobicContact CE2-CB 4.07Å; F6-N96 HydrophobicContact CG-CB 4.06Å; F6-N96 HydrophobicContact CZ-CB 4.02Å; F6-W123 WeakPolarHBondContact O-CB 3.38Å
7K91.5Very high83.7Confident136 Ų13673.4 Ų73.459%0.59139%0.39SS*.G310 helixtrans-61.4-30.2-179.7-59.2-172.2174.2-166.50113.2N5 K9 L122 W123 G124N5-K7 PolarHBondContact O-N 3.25Å; N5-K7 WeakPolarHBondContact OD1-CB 3.43Å; N5-K7 VanDerWaalsContact OD1-CG 3.31Å; N5-K7 WeakPolarHBondContact OD1-CG 3.36Å; N5-K7 PolarHBondContact OD1-N 2.56Å; K7-K9 VanDerWaalsContact C-N 3.27Å; K7-K9 PolarHBondContact O-N 3.43Å; K7-L122 WeakPolarHBondContact O-CB 3.25Å; K7-W123 PolarHBondContact O-N 2.86Å; K7-G124 PolarHBondContact O-N 3.07Å
8N93.9Very high84.5Confident112 Ų11276.1 Ų76.160%0.59940%0.395SS*.G310 helixtrans-85.32.6-179.7-62.9-8.8000113.1F6F6-N8 PolarHBondContact O-N 2.81Å
9K95Very high85.2Confident107 Ų10773.4 Ų73.447%0.46538%0.383SS..SBendtrans-76.4148.7175.1-63.4-63.8-175177.80109.7F6 K7 M28 L122 W123F6-K9 VanDerWaalsContact O-CB 3.3Å; F6-K9 WeakPolarHBondContact O-CB 3.45Å; F6-K9 WeakPolarHBondContact O-CG 3.38Å; F6-K9 PolarHBondContact O-N 3.43Å; K7-K9 VanDerWaalsContact C-N 3.27Å; K7-K9 PolarHBondContact O-N 3.43Å; K9-M28 HydrophobicContact CB-CG 4.2Å; K9-M28 HydrophobicContact CG-CG 4.49Å; K9-M28 HydrophobicContact CG-SD 4.43Å; K9-L122 CarbonylContact O-C 3.59Å; K9-L122 WeakPolarHBondContact O-CA 3.41Å; K9-W123 VanDerWaalsContact O-CD1 3.3Å; K9-W123 PolarHBondContact O-N 2.99Å
10C96.7Very high85.9Confident36 Ų3677.7 Ų77.724%0.24340%0.401CS..BIsolated β-bridgetrans-76.2140.3175.4-55.30000110.7T12 L120 L121 W123C10-T12 PolarHBondContact O-OG1 3.24Å; C10-L120 VanDerWaalsContact SG-CD1 3.56Å; C10-L121 WeakPolarHBondContact CA-O 3.24Å; C10-W123 PolarHBondContact O-NE1 2.95Å
11V97.9Very high86.5Confident0 Ų074.9 Ų74.90%039%0.389CS..PPolyproline II helixtrans-77.8129.8169.9-171.50000108.3T25 R112 L121 W123 L126V11-T25 WeakPolarHBondContact CG1-O 3.23Å; V11-R112 PolarHBondContact O-N 3.09Å; V11-L121 HydrophobicContact CB-CB 4.32Å; V11-L121 HydrophobicContact CB-CD2 4Å; V11-L121 HydrophobicContact CB-CG 4.05Å; V11-L121 HydrophobicContact CG1-CD2 4.27Å; V11-L121 HydrophobicContact CG2-CB 4.39Å; V11-L121 HydrophobicContact CG2-CD2 4.06Å; V11-L121 HydrophobicContact CG2-CG 3.77Å; V11-L121 PolarHBondContact N-O 2.87Å; V11-W123 HydrophobicContact CG2-CD2 4.34Å; V11-W123 HydrophobicContact CG2-CG 4.06Å; V11-L126 HydrophobicContact CG1-CD1 4.13Å; V11-L126 HydrophobicContact CG1-CD2 4.3Å; V11-L126 HydrophobicContact CG2-CD1 3.54Å; V11-L126 HydrophobicContact CG2-CD2 4.04Å; V11-L126 HydrophobicContact CG2-CG 3.74Å
12T97.8Very high89.3Confident2 Ų267.6 Ų67.61%0.01235%0.354CS..EExtended strand (participates in β ladder)trans-121.6134.2-170.5-49.60000110C10 G27 F41 T109 N111C10-T12 PolarHBondContact O-OG1 3.24Å; T12-G27 WeakPolarHBondContact CB-O 3.47Å; T12-G27 PolarHBondContact N-O 2.9Å; T12-G27 WeakPolarHBondContact O-CA 3.5Å; T12-G27 PolarHBondContact O-N 3.32Å; T12-F41 HydrophobicContact CG2-CD1 4.34Å; T12-F41 HydrophobicContact CG2-CE1 4.08Å; T12-T109 HydrophobicContact CG2-CG2 4.02Å; T12-N111 PolarHBondContact OG1-OD1 3.24Å
13Q98.3Very high92.1Very high56 Ų5662.5 Ų62.526%0.26232%0.318SS..EExtended strand (participates in β ladder)trans-78.7135.3164.5-172.1-177.5-7400109.1N15 L22 T109 L110 R112Q13-N15 PolarHBondContact NE2-OD1 3.3Å; Q13-L22 HydrophobicContact CG-CD1 3.33Å; Q13-T109 VanDerWaalsContact O-CA 3.23Å; Q13-T109 WeakPolarHBondContact O-CA 3.33Å; Q13-L110 HydrophobicContact CB-CB 4.48Å; Q13-L110 PolarHBondContact N-O 2.84Å; Q13-L110 PolarHBondContact O-N 3.29Å; Q13-R112 HydrophobicContact CB-CG 4.36Å
14V98.6Very high94.6Very high0 Ų057 Ų570%028%0.284CS..EExtended strand (participates in β ladder)trans-118.4128.1179.9-173.60000109.1L23 C24 F41 F102 V107 T109V14-L23 HydrophobicContact CG1-CD1 4.43Å; V14-L23 WeakPolarHBondContact O-CB 3.31Å; V14-L23 PolarHBondContact O-N 3.18Å; V14-C24 PolarHBondContact N-O 2.84Å; V14-C24 PolarHBondContact O-N 2.79Å; V14-F41 HydrophobicContact CG2-CB 4.11Å; V14-F41 HydrophobicContact CG2-CG 4.42Å; V14-F102 HydrophobicContact CG1-CB 4.33Å; V14-F102 HydrophobicContact CG1-CD2 4.22Å; V14-F102 HydrophobicContact CG1-CG 4.15Å; V14-V107 HydrophobicContact CG1-CB 3.58Å; V14-V107 HydrophobicContact CG1-CG1 3.7Å; V14-V107 HydrophobicContact CG1-CG2 3.76Å; V14-T109 HydrophobicContact CG1-CG2 4.39Å; V14-T109 HydrophobicContact CG2-CG2 4.18Å
15N98.8Very high96.2Very high25 Ų2557.2 Ų57.213%0.13428%0.284CS..EExtended strand (participates in β ladder)trans-123.1147.2-179.1-68.376.9000109.9Q13 I17 E20 S21 V107 S108Q13-N15 PolarHBondContact NE2-OD1 3.3Å; N15-I17 PolarHBondContact O-N 3.26Å; N15-E20 PolarHBondContact ND2-O 3.08Å; N15-S21 CarbonylContact C-O 3.55Å; N15-S21 WeakPolarHBondContact CA-O 3.42Å; N15-V107 CarbonylContact O-C 3.36Å; N15-V107 WeakPolarHBondContact O-CA 3.37Å; N15-V107 VanDerWaalsContact O-CB 3.28Å; N15-V107 WeakPolarHBondContact O-CB 3.35Å; N15-S108 PolarHBondContact N-O 3.07Å; N15-S108 PolarHBondContact O-N 2.92Å
16C98.8Very high97Very high0 Ų054.3 Ų54.30%027%0.266CS..EExtended strand (participates in β ladder)trans-65.8126.4171.9178.70000109.8Y18 C19 E20 S21 L23 C72 C75C16-Y18 PolarHBondContact O-N 2.68Å; C16-C19 VanDerWaalsContact SG-SG 3.68Å; C16-E20 WeakPolarHBondContact O-CA 3.32Å; C16-E20 PolarHBondContact O-N 3.1Å; C16-S21 WeakPolarHBondContact CB-OG 3.33Å; C16-S21 PolarHBondContact N-O 2.85Å; C16-L23 HydrophobicContact CB-CD1 4.12Å; C16-L23 HydrophobicContact CB-CD2 4.13Å; C16-L23 HydrophobicContact CB-CG 4.17Å; C16-C72 HydrophobicContact CB-CB 4.42Å; C16-C75 VanDerWaalsContact SG-SG 3.69Å
17I98.6Very high97.4Very high91 Ų9151.3 Ų51.347%0.46725%0.253SS..THydrogen-bonded Turntrans-68.1-25.6179.5-162.1169.3000112.4N15 A106N15-I17 PolarHBondContact O-N 3.26Å; I17-A106 WeakPolarHBondContact CG2-O 3.12Å; I17-A106 PolarHBondContact N-O 3.5Å; I17-A106 VanDerWaalsContact N-O 3.13Å
18Y98.6Very high97.7Very high123 Ų12345.1 Ų45.148%0.48223%0.226SC..THydrogen-bonded Turntrans-80.3-28.5-174.4-52.9-76.3000114C16 N77 A106C16-Y18 PolarHBondContact O-N 2.68Å; Y18-N77 WeakPolarHBondContact CB-ND2 3.19Å; Y18-N77 HydrophobicContact CD2-CB 3.37Å; Y18-N77 HydrophobicContact CE2-CB 3.68Å; Y18-N77 HydrophobicContact CG-CB 3.84Å; Y18-A106 HydrophobicContact CE2-CB 4.07Å
19C98.5Very high97.8Very high25 Ų2544.6 Ų44.617%0.16922%0.219CC..THydrogen-bonded Turntrans-143.57.6-173.374.80000114.6C16 S21 C72 K74 C75C16-C19 VanDerWaalsContact SG-SG 3.68Å; C19-S21 PolarHBondContact O-N 3.31Å; C19-S21 PolarHBondContact SG-OG 3.42Å; C19-S21 VanDerWaalsContact SG-OG 3.35Å; C19-C72 VanDerWaalsContact SG-SG 3.66Å; C19-K74 HydrophobicContact CB-CD 4.43Å; C19-K74 PolarHBondContact O-NZ 3Å; C19-K74 VanDerWaalsContact O-NZ 3.08Å; C19-C75 HydrophobicContact CB-CB 3.73Å
20E98.3Very high97.6Very high158 Ų15840.4 Ų40.474%0.73820%0.204SC*.  trans61.94176.1-56.9175.1179.900115.2N15 C16 L22N15-E20 PolarHBondContact ND2-O 3.08Å; C16-E20 WeakPolarHBondContact O-CA 3.32Å; C16-E20 PolarHBondContact O-N 3.1Å; E20-L22 PolarHBondContact O-N 3.33Å
21S98.3Very high97.3Very high20 Ų2041.9 Ų41.914%0.1421%0.211CC..  trans-60.1137.5179.264.80000111.3N15 C16 C19 L23 C72N15-S21 CarbonylContact C-O 3.55Å; N15-S21 WeakPolarHBondContact CA-O 3.42Å; C16-S21 WeakPolarHBondContact CB-OG 3.33Å; C16-S21 PolarHBondContact N-O 2.85Å; C19-S21 PolarHBondContact O-N 3.31Å; C19-S21 PolarHBondContact SG-OG 3.42Å; C19-S21 VanDerWaalsContact SG-OG 3.35Å; S21-L23 PolarHBondContact O-N 2.78Å; S21-C72 PolarHBondContact OG-SG 3.02Å
22L98.5Very high96.8Very high83 Ų8344.2 Ų44.244%0.43522%0.224SC..EExtended strand (participates in β ladder)trans-60.8122.2169.8179.263.6000110.3Q13 E20 C24 T25 S50Q13-L22 HydrophobicContact CG-CD1 3.33Å; E20-L22 PolarHBondContact O-N 3.33Å; L22-C24 WeakPolarHBondContact CD1-O 3.17Å; L22-T25 HydrophobicContact CD1-CG2 3.89Å; L22-T25 HydrophobicContact CD2-CG2 3.78Å; L22-T25 HydrophobicContact CG-CG2 4.3Å; L22-S50 WeakPolarHBondContact O-CB 3.15Å
23L98.5Very high96.1Very high6 Ų648.4 Ų48.43%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-95.2-49.5175.6-60.5179.3000110.7V14 C16 S21 S50 V51 C72 V79 F102 V107V14-L23 HydrophobicContact CG1-CD1 4.43Å; V14-L23 WeakPolarHBondContact O-CB 3.31Å; V14-L23 PolarHBondContact O-N 3.18Å; C16-L23 HydrophobicContact CB-CD1 4.12Å; C16-L23 HydrophobicContact CB-CD2 4.13Å; C16-L23 HydrophobicContact CB-CG 4.17Å; S21-L23 PolarHBondContact O-N 2.78Å; L23-S50 WeakPolarHBondContact O-CB 3.44Å; L23-S50 PolarHBondContact O-OG 3.42Å; L23-V51 HydrophobicContact CD2-CG1 3.87Å; L23-C72 HydrophobicContact CD2-CB 4.27Å; L23-V79 HydrophobicContact CD1-CB 4.02Å; L23-V79 HydrophobicContact CD1-CG1 4.07Å; L23-V79 HydrophobicContact CD1-CG2 4.18Å; L23-F102 HydrophobicContact CB-CE1 3.95Å; L23-F102 HydrophobicContact CB-CZ 4.18Å; L23-F102 HydrophobicContact CD1-CD1 3.97Å; L23-F102 HydrophobicContact CD1-CE1 3.98Å; L23-V107 HydrophobicContact CD1-CG1 3.76Å
24C97.9Very high95.4Very high13 Ų1348.9 Ų48.99%0.08826%0.259CS..EExtended strand (participates in β ladder)trans-153.5161.1171.874.70000111.8V14 L22 F102V14-C24 PolarHBondContact N-O 2.84Å; V14-C24 PolarHBondContact O-N 2.79Å; L22-C24 WeakPolarHBondContact CD1-O 3.17Å; C24-F102 HydrophobicContact CB-CE2 4.43Å; C24-F102 HydrophobicContact CB-CZ 4.48Å
25T97Very high94.6Very high57 Ų5752.3 Ų52.335%0.3528%0.278SS..EExtended strand (participates in β ladder)trans-109.8-4.4176.757.40000113V11 L22 R112V11-T25 WeakPolarHBondContact CG1-O 3.23Å; L22-T25 HydrophobicContact CD1-CG2 3.89Å; L22-T25 HydrophobicContact CD2-CG2 3.78Å; L22-T25 HydrophobicContact CG-CG2 4.3Å; T25-R112 WeakPolarHBondContact O-CD 3.43Å; T25-R112 PolarHBondContact O-NH1 2.86Å
26R96.6Very high94Very high28 Ų2855.4 Ų55.411%0.10630%0.298CS..EExtended strand (participates in β ladder)trans-119.354179.3-67.1176.268.8113.7-3110.2T43 D44 I45 W123 L126 P127R26-T43 WeakPolarHBondContact O-CA 3.07Å; R26-T43 PolarHBondContact O-OG1 2.84Å; R26-D44 WeakPolarHBondContact CB-OD1 3.47Å; R26-D44 IonicContact CZ-OD2 3.25Å; R26-D44 IonicContact NE-OD1 2.85Å; R26-D44 PolarHBondContact NE-OD1 3.29Å; R26-D44 IonicContact NE-OD2 2.68Å; R26-D44 PolarHBondContact NE-OD2 3.36Å; R26-D44 VanDerWaalsContact NE-OD2 3.09Å; R26-D44 IonicContact NH2-OD2 3.09Å; R26-D44 PolarHBondContact NH2-OD2 2.9Å; R26-I45 VanDerWaalsContact CD-CD1 3.5Å; R26-W123 HydrophobicContact CB-CH2 4.07Å; R26-W123 HydrophobicContact CB-CZ2 4.48Å; R26-W123 WeakPolarHBondContact O-CH2 3.43Å; R26-W123 WeakPolarHBondContact O-CZ2 3.01Å; R26-L126 HydrophobicContact CG-CD1 4.49Å; R26-P127 PolarHBondContact NH1-O 3.19Å; R26-P127 PolarHBondContact NH2-O 3.23Å
27G97.6Very high93.5Very high0 Ų063.1 Ų63.10%033%0.333CS..EExtended strand (participates in β ladder)trans-83.3143.7174.900000112.5T12 S42 W123T12-G27 WeakPolarHBondContact CB-O 3.47Å; T12-G27 PolarHBondContact N-O 2.9Å; T12-G27 WeakPolarHBondContact O-CA 3.5Å; T12-G27 PolarHBondContact O-N 3.32Å; G27-S42 CarbonylContact C-O 3.5Å; G27-S42 VanDerWaalsContact CA-O 3.32Å; G27-S42 WeakPolarHBondContact CA-O 3.37Å; G27-W123 WeakPolarHBondContact O-CZ2 3.42Å; G27-W123 PolarHBondContact O-NE1 3.08Å
28M97.4Very high93Very high6 Ų662.2 Ų62.23%0.0333%0.329CS..EExtended strand (participates in β ladder)trans-124.6124.1172.4-170.2-175.6-70.900108.6F6 K9 A30 F41 S42 N96 W123F6-M28 HydrophobicContact CB-CE 3.94Å; F6-M28 HydrophobicContact CB-SD 4.22Å; F6-M28 HydrophobicContact CD1-SD 4.05Å; F6-M28 HydrophobicContact CG-SD 4.42Å; K9-M28 HydrophobicContact CB-CG 4.2Å; K9-M28 HydrophobicContact CG-CG 4.49Å; K9-M28 HydrophobicContact CG-SD 4.43Å; M28-A30 PolarHBondContact O-N 2.88Å; M28-F41 CarbonylContact O-C 3.55Å; M28-F41 WeakPolarHBondContact O-CA 3.33Å; M28-S42 PolarHBondContact N-O 2.82Å; M28-S42 PolarHBondContact O-N 2.97Å; M28-S42 PolarHBondContact O-OG 2.9Å; M28-N96 HydrophobicContact SD-CB 4.01Å; M28-N96 PolarHBondContact SD-ND2 3.3Å; M28-N96 VanDerWaalsContact SD-ND2 3.36Å; M28-W123 HydrophobicContact CB-CZ2 3.6Å; M28-W123 HydrophobicContact CE-CB 4.17Å; M28-W123 HydrophobicContact CE-CD2 3.31Å; M28-W123 HydrophobicContact CE-CE3 3.8Å; M28-W123 HydrophobicContact CE-CG 3.45Å; M28-W123 VanDerWaalsContact CE-CG 3.45Å; M28-W123 HydrophobicContact CE-CZ2 4.15Å; M28-W123 HydrophobicContact CE-CZ3 4.39Å
29K95.8Very high92.8Very high101 Ų10160.3 Ų60.344%0.43933%0.325SS..EExtended strand (participates in β ladder)trans-60.6127.8169.3-171.4173-177.9173.20109.6E39 F41K29-E39 WeakPolarHBondContact CE-OE1 3.41Å; K29-E39 WeakPolarHBondContact CE-OE2 3.16Å; K29-E39 IonicContact NZ-OE1 2.78Å; K29-E39 PolarHBondContact NZ-OE1 2.83Å; K29-E39 IonicContact NZ-OE2 3.34Å; K29-E39 PolarHBondContact NZ-OE2 3.02Å; K29-F41 HydrophobicContact CB-CD1 4.1Å; K29-F41 HydrophobicContact CB-CE1 3.74Å; K29-F41 HydrophobicContact CB-CZ 4.47Å; K29-F41 HydrophobicContact CG-CE1 4.04Å; K29-F41 HydrophobicContact CG-CZ 4.29Å
30A91.8Very high92.7Very high19 Ų1959.3 Ų59.316%0.15732%0.317CS..EExtended strand (participates in β ladder)trans-136.2172.9-177.400000110.2M28 L40 M101M28-A30 PolarHBondContact O-N 2.88Å; A30-L40 PolarHBondContact N-O 3.27Å; A30-L40 PolarHBondContact O-N 3.22Å; A30-M101 HydrophobicContact CB-CE 4.18Å
31V90.9Very high92.6Very high66 Ų6652.6 Ų52.640%0.429%0.286SS..EExtended strand (participates in β ladder)trans-131.8153.9171.3-63.80000108.8T36 I38V31-T36 WeakPolarHBondContact CG1-O 3.19Å; V31-T36 HydrophobicContact CG2-CG2 4.1Å; V31-I38 VanDerWaalsContact CA-O 3.31Å; V31-I38 WeakPolarHBondContact CA-O 3.19Å
32L86.6Confident92.6Very high50 Ų5051.7 Ų51.726%0.26228%0.279SS..  trans-65.1136.8173.6-76.5178.2000110.6A34 D35 T36 I38 L40 Y81L32-A34 PolarHBondContact O-N 2.91Å; L32-D35 WeakPolarHBondContact CB-O 3.32Å; L32-D35 CarbonylContact O-C 3.55Å; L32-D35 PolarHBondContact O-N 2.96Å; L32-D35 VanDerWaalsContact O-O 3.11Å; L32-T36 PolarHBondContact O-N 3.4Å; L32-I38 HydrophobicContact CB-CB 4.36Å; L32-I38 HydrophobicContact CD1-CB 3.82Å; L32-I38 HydrophobicContact CD1-CD1 3.8Å; L32-I38 HydrophobicContact CD1-CG1 4.39Å; L32-I38 HydrophobicContact CD1-CG2 3.61Å; L32-I38 HydrophobicContact CG-CB 4.18Å; L32-I38 HydrophobicContact CG-CG2 4.02Å; L32-I38 PolarHBondContact N-O 2.86Å; L32-I38 VanDerWaalsContact N-O 3.08Å; L32-L40 HydrophobicContact CD1-CD1 4.4Å; L32-L40 HydrophobicContact CD2-CD1 3.39Å; L32-L40 HydrophobicContact CG-CD1 3.52Å; L32-L40 HydrophobicContact CG-CG 4.36Å; L32-Y81 WeakPolarHBondContact CD2-OH 3.48Å
33L83.8Confident92.5Very high89 Ų8947.8 Ų47.847%0.46626%0.259SS..SBendtrans-66.4-30.1177-61.3-178.9000112.6C94 N95L33-C94 WeakPolarHBondContact CD2-O 3.3Å; L33-N95 HydrophobicContact CD1-CB 4.38Å
34A82.1Confident92.4Very high67 Ų6749.6 Ų49.655%0.55427%0.269SS*.SBendtrans-82.4-20.7178.500000113L32L32-A34 PolarHBondContact O-N 2.91Å
35D82.9Confident92.2Very high72 Ų7252.2 Ų52.239%0.38528%0.281SS..  trans-155.4102.1-178.4-173.3-11.2000110.2L32 E37 I38L32-D35 WeakPolarHBondContact CB-O 3.32Å; L32-D35 CarbonylContact O-C 3.55Å; L32-D35 PolarHBondContact O-N 2.96Å; L32-D35 VanDerWaalsContact O-O 3.11Å; D35-E37 PolarHBondContact O-N 3.21Å; D35-E37 WeakPolarHBondContact OD1-CB 3.18Å; D35-E37 PolarHBondContact OD1-N 2.7Å; D35-E37 VanDerWaalsContact OD1-N 3.1Å; D35-I38 HydrophobicContact CB-CD1 4.03Å; D35-I38 HydrophobicContact CB-CG1 4.26Å; D35-I38 PolarHBondContact O-N 3.31Å
36T84.9Confident92.1Very high90 Ų9052.4 Ų52.455%0.55228%0.283SS*.THydrogen-bonded Turntrans-74.2-9.9-174.253.30000114.1V31 L32 I38V31-T36 WeakPolarHBondContact CG1-O 3.19Å; V31-T36 HydrophobicContact CG2-CG2 4.1Å; L32-T36 PolarHBondContact O-N 3.4Å; T36-I38 VanDerWaalsContact C-N 3.26Å
37E88.2Confident92Very high161 Ų16151.5 Ų51.575%0.75228%0.281SS*.THydrogen-bonded Turntrans-76.3-20.1174.4-57.9-57.912200111.4D35 E39D35-E37 PolarHBondContact O-N 3.21Å; D35-E37 WeakPolarHBondContact OD1-CB 3.18Å; D35-E37 PolarHBondContact OD1-N 2.7Å; D35-E37 VanDerWaalsContact OD1-N 3.1Å; E37-E39 PolarHBondContact O-N 2.86Å
38I88.6Confident91.8Very high72 Ų7257.1 Ų57.137%0.36931%0.311SS..SBendtrans-85.9102.6177.3-59.1176.5000109.1V31 L32 D35 T36 L40V31-I38 VanDerWaalsContact CA-O 3.31Å; V31-I38 WeakPolarHBondContact CA-O 3.19Å; L32-I38 HydrophobicContact CB-CB 4.36Å; L32-I38 HydrophobicContact CD1-CB 3.82Å; L32-I38 HydrophobicContact CD1-CD1 3.8Å; L32-I38 HydrophobicContact CD1-CG1 4.39Å; L32-I38 HydrophobicContact CD1-CG2 3.61Å; L32-I38 HydrophobicContact CG-CB 4.18Å; L32-I38 HydrophobicContact CG-CG2 4.02Å; L32-I38 PolarHBondContact N-O 2.86Å; L32-I38 VanDerWaalsContact N-O 3.08Å; D35-I38 HydrophobicContact CB-CD1 4.03Å; D35-I38 HydrophobicContact CB-CG1 4.26Å; D35-I38 PolarHBondContact O-N 3.31Å; T36-I38 VanDerWaalsContact C-N 3.26Å; I38-L40 HydrophobicContact CG2-CD2 4.26Å; I38-L40 HydrophobicContact CG2-CG 4.31Å
39E93.9Very high91.7Very high84 Ų8468.4 Ų68.439%0.39335%0.353SS..EExtended strand (participates in β ladder)trans-76.9140.2172.2-59-164.4144.100111.5K29 E37 S104K29-E39 WeakPolarHBondContact CE-OE1 3.41Å; K29-E39 WeakPolarHBondContact CE-OE2 3.16Å; K29-E39 IonicContact NZ-OE1 2.78Å; K29-E39 PolarHBondContact NZ-OE1 2.83Å; K29-E39 IonicContact NZ-OE2 3.34Å; K29-E39 PolarHBondContact NZ-OE2 3.02Å; E37-E39 PolarHBondContact O-N 2.86Å; E39-S104 WeakPolarHBondContact O-CB 3.47Å; E39-S104 PolarHBondContact O-OG 3.5Å
40L96.3Very high91.8Very high4 Ų464.6 Ų64.62%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-140.5171.2177.5-61.6173000110A30 L32 I38 Y81 M101 N103A30-L40 PolarHBondContact N-O 3.27Å; A30-L40 PolarHBondContact O-N 3.22Å; L32-L40 HydrophobicContact CD1-CD1 4.4Å; L32-L40 HydrophobicContact CD2-CD1 3.39Å; L32-L40 HydrophobicContact CG-CD1 3.52Å; L32-L40 HydrophobicContact CG-CG 4.36Å; I38-L40 HydrophobicContact CG2-CD2 4.26Å; I38-L40 HydrophobicContact CG2-CG 4.31Å; L40-Y81 HydrophobicContact CD1-CE1 4.37Å; L40-Y81 WeakPolarHBondContact CD1-OH 3.4Å; L40-M101 HydrophobicContact CB-CE 3.77Å; L40-M101 HydrophobicContact CD1-CE 3.7Å; L40-M101 HydrophobicContact CG-CE 4.43Å; L40-N103 HydrophobicContact CD2-CB 4.45Å
41F97.9Very high92.1Very high17 Ų1764 Ų648%0.07533%0.333CS..EExtended strand (participates in β ladder)trans-118.5147.8164.6-65.8-91.9000109.9T12 V14 M28 K29 M101 F102 V107 T109T12-F41 HydrophobicContact CG2-CD1 4.34Å; T12-F41 HydrophobicContact CG2-CE1 4.08Å; V14-F41 HydrophobicContact CG2-CB 4.11Å; V14-F41 HydrophobicContact CG2-CG 4.42Å; M28-F41 CarbonylContact O-C 3.55Å; M28-F41 WeakPolarHBondContact O-CA 3.33Å; K29-F41 HydrophobicContact CB-CD1 4.1Å; K29-F41 HydrophobicContact CB-CE1 3.74Å; K29-F41 HydrophobicContact CB-CZ 4.47Å; K29-F41 HydrophobicContact CG-CE1 4.04Å; K29-F41 HydrophobicContact CG-CZ 4.29Å; F41-M101 CarbonylContact O-C 3.54Å; F41-M101 WeakPolarHBondContact O-CA 3.2Å; F41-F102 HydrophobicContact CB-CB 4.32Å; F41-F102 PolarHBondContact N-O 3.08Å; F41-F102 PolarHBondContact O-N 3.13Å; F41-V107 HydrophobicContact CD2-CG2 3.88Å; F41-V107 HydrophobicContact CE2-CG2 4.39Å; F41-T109 HydrophobicContact CD1-CG2 3.89Å; F41-T109 HydrophobicContact CD2-CG2 3.84Å; F41-T109 HydrophobicContact CE1-CG2 3.62Å; F41-T109 HydrophobicContact CE2-CG2 3.58Å; F41-T109 HydrophobicContact CG-CG2 3.99Å; F41-T109 HydrophobicContact CZ-CG2 3.46Å; F41-T109 VanDerWaalsContact CZ-CG2 3.46Å
42S97.4Very high92.4Very high0 Ų065.3 Ų65.30%034%0.339CS..EExtended strand (participates in β ladder)trans-132.9153.8-178.362.20000111.7G27 M28 N96 H98 W100 M101G27-S42 CarbonylContact C-O 3.5Å; G27-S42 VanDerWaalsContact CA-O 3.32Å; G27-S42 WeakPolarHBondContact CA-O 3.37Å; M28-S42 PolarHBondContact N-O 2.82Å; M28-S42 PolarHBondContact O-N 2.97Å; M28-S42 PolarHBondContact O-OG 2.9Å; S42-N96 PolarHBondContact OG-ND2 2.88Å; S42-H98 WeakPolarHBondContact CB-ND1 3.31Å; S42-H98 PolarHBondContact OG-ND1 3.37Å; S42-W100 WeakPolarHBondContact CA-O 3.36Å; S42-M101 WeakPolarHBondContact CB-SD 3.33Å
43T97.4Very high92.9Very high2 Ų266.3 Ų66.31%0.01234%0.341CS..EExtended strand (participates in β ladder)trans-132143.4178.2179.60000111.2R26 I45 H98 W100 F102R26-T43 WeakPolarHBondContact O-CA 3.07Å; R26-T43 PolarHBondContact O-OG1 2.84Å; T43-I45 VanDerWaalsContact CG2-O 3.24Å; T43-I45 WeakPolarHBondContact CG2-O 3.32Å; T43-I45 PolarHBondContact OG1-N 2.94Å; T43-I45 PolarHBondContact OG1-O 2.92Å; T43-H98 WeakPolarHBondContact O-CB 3.48Å; T43-W100 HydrophobicContact CG2-CB 3.51Å; T43-W100 HydrophobicContact CG2-CG 4.3Å; T43-W100 PolarHBondContact N-O 3.18Å; T43-W100 VanDerWaalsContact N-O 3.1Å; T43-F102 HydrophobicContact CG2-CE2 3.72Å; T43-F102 HydrophobicContact CG2-CZ 4.26Å
44D95.3Very high93.5Very high43 Ų4364.1 Ų64.123%0.2333%0.331CS..SBendtrans-77.2-26.2174.658.4-20.9000112.1R26 W123 L129R26-D44 WeakPolarHBondContact CB-OD1 3.47Å; R26-D44 IonicContact CZ-OD2 3.25Å; R26-D44 IonicContact NE-OD1 2.85Å; R26-D44 PolarHBondContact NE-OD1 3.29Å; R26-D44 IonicContact NE-OD2 2.68Å; R26-D44 PolarHBondContact NE-OD2 3.36Å; R26-D44 VanDerWaalsContact NE-OD2 3.09Å; R26-D44 IonicContact NH2-OD2 3.09Å; R26-D44 PolarHBondContact NH2-OD2 2.9Å; D44-W123 HydrophobicContact CB-CH2 4.24Å; D44-W123 HydrophobicContact CB-CZ3 4.1Å; D44-W123 WeakPolarHBondContact OD1-CH2 3.3Å; D44-W123 WeakPolarHBondContact OD2-CZ3 3.24Å; D44-L129 HydrophobicContact CB-CD1 4.43Å
45I93.8Very high93.8Very high69 Ų6964.1 Ų64.135%0.35433%0.331SS..SBendtrans-98.8134.5179.6-57.5-177.5000111.3R26 T43 P47 L129R26-I45 VanDerWaalsContact CD-CD1 3.5Å; T43-I45 VanDerWaalsContact CG2-O 3.24Å; T43-I45 WeakPolarHBondContact CG2-O 3.32Å; T43-I45 PolarHBondContact OG1-N 2.94Å; T43-I45 PolarHBondContact OG1-O 2.92Å; I45-P47 VanDerWaalsContact O-CD 3.32Å; I45-P47 WeakPolarHBondContact O-CD 3.49Å; I45-L129 HydrophobicContact CD1-CD1 4.5Å; I45-L129 HydrophobicContact CD1-CD2 3.5Å; I45-L129 VanDerWaalsContact CD1-CD2 3.5Å; I45-L129 HydrophobicContact CG1-CD1 3.73Å; I45-L129 HydrophobicContact CG1-CD2 3.67Å; I45-L129 HydrophobicContact CG1-CG 4.38Å
46P95.2Very high94.3Very high60 Ų6065.3 Ų65.339%0.3935%0.345SS..  trans-56.4119.2167.3-24.434.7000112.6N48 W100P46-N48 VanDerWaalsContact CB-OD1 3.24Å; P46-N48 WeakPolarHBondContact CB-OD1 3.18Å; P46-N48 PolarHBondContact O-N 2.75Å; P46-W100 HydrophobicContact CB-CZ2 3.91Å
47P94.9Very high94.9Very high10 Ų1063.3 Ų63.37%0.06533%0.334CS..  trans-77.446-179.530-31.8000113.6I45 R49 S50 V51 W100 F102I45-P47 VanDerWaalsContact O-CD 3.32Å; I45-P47 WeakPolarHBondContact O-CD 3.49Å; P47-R49 PolarHBondContact O-N 3.25Å; P47-S50 WeakPolarHBondContact CB-OG 3.16Å; P47-S50 PolarHBondContact O-N 2.83Å; P47-S50 PolarHBondContact O-OG 3.28Å; P47-V51 HydrophobicContact CB-CG2 3.97Å; P47-V51 HydrophobicContact CG-CG2 3.52Å; P47-V51 PolarHBondContact O-N 2.75Å; P47-W100 VanDerWaalsContact CD-CE3 3.47Å; P47-W100 HydrophobicContact CG-CD2 4.08Å; P47-W100 HydrophobicContact CG-CE3 3.68Å; P47-W100 HydrophobicContact CG-CZ3 4.08Å; P47-F102 HydrophobicContact CB-CZ 4.31Å; P47-F102 HydrophobicContact CG-CZ 4.06Å
48N92.1Very high95.2Very high117 Ų11759.7 Ų59.763%0.62631%0.314SS*.THydrogen-bonded Turntrans-58.5-17.4-169.6-62.8-14.8000115.4P46P46-N48 VanDerWaalsContact CB-OD1 3.24Å; P46-N48 WeakPolarHBondContact CB-OD1 3.18Å; P46-N48 PolarHBondContact O-N 2.75Å
49R95.4Very high95.5Very high244 Ų24460 Ų6092%0.92132%0.322SS*.THydrogen-bonded Turntrans-100.4-7.8-179.1-64.2-176-177.5-110.31.7113.8P47P47-R49 PolarHBondContact O-N 3.25Å
50S97.8Very high95.3Very high20 Ų2057.3 Ų57.314%0.1431%0.312CS..THydrogen-bonded Turntrans-125.4-20.1-171.559.90000113.9L22 L23 P47 L73L22-S50 WeakPolarHBondContact O-CB 3.15Å; L23-S50 WeakPolarHBondContact O-CB 3.44Å; L23-S50 PolarHBondContact O-OG 3.42Å; P47-S50 WeakPolarHBondContact CB-OG 3.16Å; P47-S50 PolarHBondContact O-N 2.83Å; P47-S50 PolarHBondContact O-OG 3.28Å; S50-L73 PolarHBondContact O-N 2.9Å
51V98.3Very high94.9Very high6 Ų666 Ų664%0.03635%0.352CS..EExtended strand (participates in β ladder)trans-136.5161.5175.4-51.90000111.4L23 P47 I70 A71 V79 W100 F102L23-V51 HydrophobicContact CD2-CG1 3.87Å; P47-V51 HydrophobicContact CB-CG2 3.97Å; P47-V51 HydrophobicContact CG-CG2 3.52Å; P47-V51 PolarHBondContact O-N 2.75Å; V51-I70 HydrophobicContact CB-CB 4.27Å; V51-I70 HydrophobicContact CB-CD1 4.33Å; V51-I70 HydrophobicContact CG1-CD1 4.32Å; V51-I70 HydrophobicContact CG2-CB 4.17Å; V51-I70 HydrophobicContact CG2-CD1 3.94Å; V51-I70 HydrophobicContact CG2-CG2 4.45Å; V51-A71 CarbonylContact C-O 3.59Å; V51-A71 WeakPolarHBondContact CA-O 3.14Å; V51-A71 VanDerWaalsContact CB-O 3.3Å; V51-A71 WeakPolarHBondContact CB-O 3.13Å; V51-V79 HydrophobicContact CG1-CG2 3.81Å; V51-W100 HydrophobicContact CG2-CZ3 4.24Å; V51-F102 HydrophobicContact CG1-CE1 4.21Å
52D98.1Very high94.5Very high95 Ų9569.5 Ų69.551%0.50838%0.379SS..EExtended strand (participates in β ladder)trans-140.3162.3170.9-160.6-2.7000110.3I70 A71 L73D52-I70 CarbonylContact O-C 3.59Å; D52-I70 VanDerWaalsContact O-CA 3.25Å; D52-I70 WeakPolarHBondContact O-CA 3.37Å; D52-A71 PolarHBondContact N-O 3.08Å; D52-A71 PolarHBondContact O-N 2.96Å; D52-L73 HydrophobicContact CB-CD2 3.68Å; D52-L73 HydrophobicContact CB-CG 4.14Å
53F97.6Very high94Very high70 Ų7070.9 Ų70.931%0.30739%0.389SS..EExtended strand (participates in β ladder)trans-70.2143.6-179.8-65.3-60.3000112.4R68 D69 I70 H82 W100F53-R68 HydrophobicContact CB-CG 4.23Å; F53-R68 VanDerWaalsContact CB-CZ 3.45Å; F53-R68 HydrophobicContact CD1-CB 4.14Å; F53-R68 HydrophobicContact CD1-CG 3.87Å; F53-R68 HydrophobicContact CG-CG 4.3Å; F53-D69 CarbonylContact C-O 3.5Å; F53-D69 WeakPolarHBondContact CA-O 3.45Å; F53-I70 HydrophobicContact CD1-CG2 3.81Å; F53-I70 HydrophobicContact CE1-CG2 4.1Å; F53-H82 HydrophobicContact CE1-CB 3.64Å; F53-H82 AromaticContact CE1-CD2 3.75Å; F53-H82 AromaticContact CE1-CG 3.93Å; F53-H82 HydrophobicContact CZ-CB 4.47Å; F53-H82 AromaticContact CZ-CD2 3.83Å; F53-W100 AromaticContact CE1-CH2 3.91Å; F53-W100 HydrophobicContact CE1-CH2 3.91Å; F53-W100 HydrophobicContact CE1-CZ3 4.11Å; F53-W100 AromaticContact CZ-CH2 3.67Å; F53-W100 HydrophobicContact CZ-CH2 3.67Å; F53-W100 HydrophobicContact CZ-CZ2 4.38Å; F53-W100 HydrophobicContact CZ-CZ3 4.33Å
54V94.4Very high93.9Very high43 Ų4378.2 Ų78.226%0.26142%0.42SS..EExtended strand (participates in β ladder)trans-122.2143.2173-173.20000109.6D69 A71 F78V54-D69 PolarHBondContact N-O 2.88Å; V54-A71 HydrophobicContact CG2-CB 3.35Å; V54-F78 HydrophobicContact CB-CD1 4.39Å; V54-F78 HydrophobicContact CB-CE1 3.63Å; V54-F78 HydrophobicContact CB-CZ 4.33Å; V54-F78 HydrophobicContact CG1-CE1 3.44Å; V54-F78 VanDerWaalsContact CG1-CE1 3.44Å; V54-F78 HydrophobicContact CG1-CZ 3.63Å; V54-F78 HydrophobicContact CG2-CD1 4.47Å; V54-F78 HydrophobicContact CG2-CE1 4.07Å
55A90.2Very high93.8Very high67 Ų6776.5 Ų76.555%0.55441%0.412SS*.EExtended strand (participates in β ladder)trans56.9-172.1176.800000114R68A55-R68 PolarHBondContact O-NE 3.41Å; A55-R68 PolarHBondContact O-NH2 3.13Å; A55-R68 VanDerWaalsContact O-NH2 3.17Å
56S93.4Very high94Very high98 Ų9877.8 Ų77.869%0.68542%0.415SS*.EExtended strand (participates in β ladder)trans-83.3161.3175.7-58.90000110.9
57C95.9Very high94.1Very high48 Ų4875.5 Ų75.532%0.32440%0.399SS..EExtended strand (participates in β ladder)trans-66.3148.9174.3-59.70000111.5K66 L67C57-K66 HydrophobicContact CB-CD 4.11Å; C57-K66 HydrophobicContact CB-CG 3.81Å; C57-L67 CarbonylContact C-O 3.56Å; C57-L67 WeakPolarHBondContact CA-O 3.47Å; C57-L67 WeakPolarHBondContact CB-O 3.49Å
58Y95.9Very high94.2Very high85 Ų8579 Ų7933%0.33341%0.411SS..EExtended strand (participates in β ladder)trans-133.2169.2172.960.8-87.8000110.6K66 L67 D69Y58-K66 CarbonylContact O-C 3.54Å; Y58-K66 WeakPolarHBondContact O-CA 3.49Å; Y58-L67 HydrophobicContact CD2-CB 4.37Å; Y58-L67 HydrophobicContact CE1-CB 4.27Å; Y58-L67 HydrophobicContact CE2-CB 3.88Å; Y58-L67 HydrophobicContact CE2-CD1 3.98Å; Y58-L67 HydrophobicContact CE2-CG 4.35Å; Y58-L67 PolarHBondContact N-O 3.34Å; Y58-L67 PolarHBondContact O-N 3.35Å; Y58-D69 VanDerWaalsContact CE1-OD1 3.25Å; Y58-D69 WeakPolarHBondContact CE1-OD1 3.47Å; Y58-D69 PolarHBondContact OH-OD1 2.83Å
59S95Very high94.5Very high77 Ų7775.3 Ų75.354%0.53839%0.392SS..EExtended strand (participates in β ladder)trans-117.1141.6175.1-66.40000110.1C65S59-C65 WeakPolarHBondContact CA-O 3.18Å
60T88.7Confident94.6Very high29 Ų2963.7 Ų63.718%0.17835%0.348CS..  trans-79153.1176.479.10000110.9S62 C63 C65 L67T60-S62 PolarHBondContact OG1-OG 3.09Å; T60-C63 CarbonylContact C-O 3.54Å; T60-C63 CarbonylContact O-C 3.6Å; T60-C63 PolarHBondContact OG1-N 3.28Å; T60-C63 VanDerWaalsContact OG1-N 3.1Å; T60-C63 PolarHBondContact OG1-O 3.25Å; T60-C63 PolarHBondContact OG1-SG 3.09Å; T60-C65 PolarHBondContact N-O 2.7Å; T60-L67 HydrophobicContact CG2-CD1 3.3Å; T60-L67 HydrophobicContact CG2-CG 3.9Å
61E88.2Confident94.7Very high185 Ų18563.2 Ų63.286%0.86435%0.345SS*.SBendtrans-75.9-38.6176.3-63.9-172170.900111.4
62S88.6Confident94.7Very high91 Ų9163 Ų6364%0.63634%0.343SS*.SBendtrans-68.6-34-178.758.10000113.1T60T60-S62 PolarHBondContact OG1-OG 3.09Å
63C88.7Confident94.7Very high30 Ų3063 Ų6320%0.20334%0.343CS..SBendtrans-142.5145171.973.80000111.1T60 C65T60-C63 CarbonylContact C-O 3.54Å; T60-C63 CarbonylContact O-C 3.6Å; T60-C63 PolarHBondContact OG1-N 3.28Å; T60-C63 VanDerWaalsContact OG1-N 3.1Å; T60-C63 PolarHBondContact OG1-O 3.25Å; T60-C63 PolarHBondContact OG1-SG 3.09Å; C63-C65 PolarHBondContact O-N 3.01Å; C63-C65 PolarHBondContact SG-SG 3.17Å
64K93.4Very high94.7Very high155 Ų15566.7 Ų66.767%0.67436%0.359SS*.  trans-76.726-178.7-56.7-55.3-176.9-167.10113.6C87K64-C87 HydrophobicContact CB-CB 4.21Å
65C94.9Very high94.9Very high8 Ų866.9 Ų66.95%0.05436%0.362CS..  trans-65.5139.4172-67.80000109.7S59 T60 C63 L67 V83 A85 C87 C90S59-C65 WeakPolarHBondContact CA-O 3.18Å; T60-C65 PolarHBondContact N-O 2.7Å; C63-C65 PolarHBondContact O-N 3.01Å; C63-C65 PolarHBondContact SG-SG 3.17Å; C65-L67 HydrophobicContact CB-CD2 4.01Å; C65-V83 HydrophobicContact CB-CG1 4.49Å; C65-A85 CarbonylContact C-O 3.56Å; C65-A85 WeakPolarHBondContact CA-O 3.39Å; C65-C87 PolarHBondContact SG-N 3.34Å; C65-C87 VanDerWaalsContact SG-SG 3.62Å; C65-C90 VanDerWaalsContact SG-SG 3.67Å
66K96.9Very high95.3Very high96 Ų9666.2 Ų66.242%0.41736%0.361SS..EExtended strand (participates in β ladder)trans-91120.9170.5-170.8175.3-179.4179.50108.4C57 Y58 V84 A85C57-K66 HydrophobicContact CB-CD 4.11Å; C57-K66 HydrophobicContact CB-CG 3.81Å; Y58-K66 CarbonylContact O-C 3.54Å; Y58-K66 WeakPolarHBondContact O-CA 3.49Å; K66-V84 HydrophobicContact CD-CG1 4.42Å; K66-V84 HydrophobicContact CG-CB 4.34Å; K66-V84 PolarHBondContact O-N 3.1Å; K66-A85 HydrophobicContact CB-CB 3.97Å; K66-A85 PolarHBondContact N-O 3.01Å; K66-A85 PolarHBondContact O-N 2.78Å; K66-A85 VanDerWaalsContact O-N 3.11Å
67L97Very high95.5Very high12 Ų1264.7 Ų64.76%0.06335%0.345CS..EExtended strand (participates in β ladder)trans-115.3159.6-177.4-52.2-171.3000110.6C57 Y58 T60 C65 Y81 H82 V83C57-L67 CarbonylContact C-O 3.56Å; C57-L67 WeakPolarHBondContact CA-O 3.47Å; C57-L67 WeakPolarHBondContact CB-O 3.49Å; Y58-L67 HydrophobicContact CD2-CB 4.37Å; Y58-L67 HydrophobicContact CE1-CB 4.27Å; Y58-L67 HydrophobicContact CE2-CB 3.88Å; Y58-L67 HydrophobicContact CE2-CD1 3.98Å; Y58-L67 HydrophobicContact CE2-CG 4.35Å; Y58-L67 PolarHBondContact N-O 3.34Å; Y58-L67 PolarHBondContact O-N 3.35Å; T60-L67 HydrophobicContact CG2-CD1 3.3Å; T60-L67 HydrophobicContact CG2-CG 3.9Å; C65-L67 HydrophobicContact CB-CD2 4.01Å; L67-Y81 HydrophobicContact CD1-CD2 3.87Å; L67-Y81 HydrophobicContact CD1-CE2 4.05Å; L67-Y81 HydrophobicContact CD1-CG 4.32Å; L67-Y81 HydrophobicContact CD2-CD2 4.04Å; L67-Y81 HydrophobicContact CD2-CE2 4.24Å; L67-Y81 HydrophobicContact CG-CD2 4.38Å; L67-H82 CarbonylContact C-O 3.55Å; L67-H82 VanDerWaalsContact CA-O 3.3Å; L67-H82 WeakPolarHBondContact CA-O 3.34Å; L67-V83 HydrophobicContact CD2-CB 4.08Å; L67-V83 HydrophobicContact CD2-CG1 4.18Å; L67-V83 HydrophobicContact CD2-CG2 3.7Å
68R97.8Very high95.6Very high82 Ų8267.6 Ų67.631%0.30935%0.353SS..EExtended strand (participates in β ladder)trans-142.1131.1168.1-168.3172.7-169.5-161-3.6109.3F53 A55 Y81 H82 V84F53-R68 HydrophobicContact CB-CG 4.23Å; F53-R68 VanDerWaalsContact CB-CZ 3.45Å; F53-R68 HydrophobicContact CD1-CB 4.14Å; F53-R68 HydrophobicContact CD1-CG 3.87Å; F53-R68 HydrophobicContact CG-CG 4.3Å; A55-R68 PolarHBondContact O-NE 3.41Å; A55-R68 PolarHBondContact O-NH2 3.13Å; A55-R68 VanDerWaalsContact O-NH2 3.17Å; R68-Y81 CarbonylContact O-C 3.54Å; R68-Y81 WeakPolarHBondContact O-CA 3.46Å; R68-H82 PolarHBondContact N-O 3.22Å; R68-H82 PolarHBondContact O-N 3.32Å; R68-V84 HydrophobicContact CB-CG2 3.71Å
69D98.1Very high95.7Very high41 Ų4163.5 Ų63.522%0.21934%0.337CS..EExtended strand (participates in β ladder)trans-68.8153-178.6-64.9-27.3000111.1F53 V54 Y58 F78F53-D69 CarbonylContact C-O 3.5Å; F53-D69 WeakPolarHBondContact CA-O 3.45Å; V54-D69 PolarHBondContact N-O 2.88Å; Y58-D69 VanDerWaalsContact CE1-OD1 3.25Å; Y58-D69 WeakPolarHBondContact CE1-OD1 3.47Å; Y58-D69 PolarHBondContact OH-OD1 2.83Å; D69-F78 HydrophobicContact CB-CD1 3.95Å; D69-F78 HydrophobicContact CB-CE1 3.92Å
70I98.4Very high95.9Very high0 Ų060 Ų600%031%0.313CS..EExtended strand (participates in β ladder)trans-125.3141.9176.257164.3000110.4V51 D52 F53 V79 G80 H82 W100 F102V51-I70 HydrophobicContact CB-CB 4.27Å; V51-I70 HydrophobicContact CB-CD1 4.33Å; V51-I70 HydrophobicContact CG1-CD1 4.32Å; V51-I70 HydrophobicContact CG2-CB 4.17Å; V51-I70 HydrophobicContact CG2-CD1 3.94Å; V51-I70 HydrophobicContact CG2-CG2 4.45Å; D52-I70 CarbonylContact O-C 3.59Å; D52-I70 VanDerWaalsContact O-CA 3.25Å; D52-I70 WeakPolarHBondContact O-CA 3.37Å; F53-I70 HydrophobicContact CD1-CG2 3.81Å; F53-I70 HydrophobicContact CE1-CG2 4.1Å; I70-V79 HydrophobicContact CD1-CG2 4.28Å; I70-V79 HydrophobicContact CG1-CG2 4.24Å; I70-V79 PolarHBondContact O-N 2.65Å; I70-G80 WeakPolarHBondContact CG1-O 3.31Å; I70-G80 PolarHBondContact N-O 2.88Å; I70-H82 HydrophobicContact CG2-CB 4.38Å; I70-W100 HydrophobicContact CD1-CE3 4.32Å; I70-W100 HydrophobicContact CG2-CE3 4.37Å; I70-W100 HydrophobicContact CG2-CZ3 3.89Å; I70-F102 HydrophobicContact CD1-CD1 4.23Å; I70-F102 HydrophobicContact CD1-CE1 3.96Å
71A98.6Very high96.3Very high9 Ų959.8 Ų59.87%0.07431%0.309CS..EExtended strand (participates in β ladder)trans-119.7149175.100000111.5V51 D52 V54 L73 G76 N77V51-A71 CarbonylContact C-O 3.59Å; V51-A71 WeakPolarHBondContact CA-O 3.14Å; V51-A71 VanDerWaalsContact CB-O 3.3Å; V51-A71 WeakPolarHBondContact CB-O 3.13Å; D52-A71 PolarHBondContact N-O 3.08Å; D52-A71 PolarHBondContact O-N 2.96Å; V54-A71 HydrophobicContact CG2-CB 3.35Å; A71-L73 PolarHBondContact O-N 3.42Å; A71-G76 WeakPolarHBondContact CB-O 3.28Å; A71-N77 CarbonylContact C-O 3.54Å; A71-N77 WeakPolarHBondContact CA-O 3.48Å; A71-N77 WeakPolarHBondContact CB-O 3.33Å
72C98.8Very high96.8Very high1 Ų152.5 Ų52.51%0.00728%0.275CS..EExtended strand (participates in β ladder)trans-62.3123173.8171.50000110.6C16 C19 S21 L23 K74 C75 G76 N77 V79C16-C72 HydrophobicContact CB-CB 4.42Å; C19-C72 VanDerWaalsContact SG-SG 3.66Å; S21-C72 PolarHBondContact OG-SG 3.02Å; L23-C72 HydrophobicContact CD2-CB 4.27Å; C72-K74 PolarHBondContact O-N 3.37Å; C72-K74 PolarHBondContact SG-N 2.95Å; C72-C75 PolarHBondContact O-N 3.28Å; C72-C75 VanDerWaalsContact SG-SG 3.66Å; C72-G76 WeakPolarHBondContact O-CA 3.28Å; C72-G76 PolarHBondContact O-N 3.49Å; C72-N77 PolarHBondContact N-O 2.74Å; C72-V79 HydrophobicContact CB-CG1 3.91Å
73L98.3Very high97.2Very high95 Ų9549.2 Ų49.250%0.49725%0.251SS..THydrogen-bonded Turntrans-61.3-26.8179.5-83.7172.1000113.6S50 D52 A71S50-L73 PolarHBondContact O-N 2.9Å; D52-L73 HydrophobicContact CB-CD2 3.68Å; D52-L73 HydrophobicContact CB-CG 4.14Å; A71-L73 PolarHBondContact O-N 3.42Å
74K98.4Very high97.5Very high148 Ų14850.7 Ų50.764%0.64326%0.258SS*.THydrogen-bonded Turntrans-76.9-34.2-179.2-170.8-174.7175.7-166.10113.2C19 C72C19-K74 HydrophobicContact CB-CD 4.43Å; C19-K74 PolarHBondContact O-NZ 3Å; C19-K74 VanDerWaalsContact O-NZ 3.08Å; C72-K74 PolarHBondContact O-N 3.37Å; C72-K74 PolarHBondContact SG-N 2.95Å
75C98.4Very high97.7Very high47 Ų4745.3 Ų45.332%0.31824%0.243SC..THydrogen-bonded Turntrans-130.2-7.5-171.170.30000115.6C16 C19 C72 N77C16-C75 VanDerWaalsContact SG-SG 3.69Å; C19-C75 HydrophobicContact CB-CB 3.73Å; C72-C75 PolarHBondContact O-N 3.28Å; C72-C75 VanDerWaalsContact SG-SG 3.66Å; C75-N77 PolarHBondContact O-N 2.92Å; C75-N77 PolarHBondContact SG-ND2 3.26Å; C75-N77 VanDerWaalsContact SG-ND2 3.41Å
76G98Very high97.7Very high53 Ų5347 Ų4755%0.54625%0.254SS..  trans75.8-4178.100000115.7A71 C72A71-G76 WeakPolarHBondContact CB-O 3.28Å; C72-G76 WeakPolarHBondContact O-CA 3.28Å; C72-G76 PolarHBondContact O-N 3.49Å
77N98.5Very high97.6Very high66 Ų6643.4 Ų43.435%0.35324%0.241SC..  trans-71.4143.9176.8-70.9-67.2000111.6Y18 A71 C72 C75Y18-N77 WeakPolarHBondContact CB-ND2 3.19Å; Y18-N77 HydrophobicContact CD2-CB 3.37Å; Y18-N77 HydrophobicContact CE2-CB 3.68Å; Y18-N77 HydrophobicContact CG-CB 3.84Å; A71-N77 CarbonylContact C-O 3.54Å; A71-N77 WeakPolarHBondContact CA-O 3.48Å; A71-N77 WeakPolarHBondContact CB-O 3.33Å; C72-N77 PolarHBondContact N-O 2.74Å; C75-N77 PolarHBondContact O-N 2.92Å; C75-N77 PolarHBondContact SG-ND2 3.26Å; C75-N77 VanDerWaalsContact SG-ND2 3.41Å
78F97.9Very high97.4Very high109 Ų10950.3 Ų50.348%0.47827%0.27SS..EExtended strand (participates in β ladder)trans-60.6134.3170.8-67.6-79000110.5V54 D69V54-F78 HydrophobicContact CB-CD1 4.39Å; V54-F78 HydrophobicContact CB-CE1 3.63Å; V54-F78 HydrophobicContact CB-CZ 4.33Å; V54-F78 HydrophobicContact CG1-CE1 3.44Å; V54-F78 VanDerWaalsContact CG1-CE1 3.44Å; V54-F78 HydrophobicContact CG1-CZ 3.63Å; V54-F78 HydrophobicContact CG2-CD1 4.47Å; V54-F78 HydrophobicContact CG2-CE1 4.07Å; D69-F78 HydrophobicContact CB-CD1 3.95Å; D69-F78 HydrophobicContact CB-CE1 3.92Å
79V98.4Very high97.2Very high0 Ų050.7 Ų50.70%028%0.283CS..EExtended strand (participates in β ladder)trans-128.7-7.2-179-670000113.6L23 V51 I70 C72 F102 N103L23-V79 HydrophobicContact CD1-CB 4.02Å; L23-V79 HydrophobicContact CD1-CG1 4.07Å; L23-V79 HydrophobicContact CD1-CG2 4.18Å; V51-V79 HydrophobicContact CG1-CG2 3.81Å; I70-V79 HydrophobicContact CD1-CG2 4.28Å; I70-V79 HydrophobicContact CG1-CG2 4.24Å; I70-V79 PolarHBondContact O-N 2.65Å; C72-V79 HydrophobicContact CB-CG1 3.91Å; V79-F102 HydrophobicContact CG2-CD1 4.31Å; V79-F102 HydrophobicContact CG2-CE1 4.49Å; V79-F102 CarbonylContact O-C 3.19Å; V79-F102 VanDerWaalsContact O-CA 3.28Å; V79-F102 WeakPolarHBondContact O-CA 3.2Å; V79-N103 PolarHBondContact O-N 2.84Å
80G97.8Very high96.9Very high3 Ų350 Ų503%0.03128%0.281CS..EExtended strand (participates in β ladder)trans159.8-149178.100000112.2I70 M101I70-G80 WeakPolarHBondContact CG1-O 3.31Å; I70-G80 PolarHBondContact N-O 2.88Å; G80-M101 CarbonylContact C-O 3.44Å; G80-M101 VanDerWaalsContact CA-O 3.31Å; G80-M101 WeakPolarHBondContact CA-O 3.33Å
81Y97.7Very high96.6Very high25 Ų2554.4 Ų54.410%0.09830%0.304CS..EExtended strand (participates in β ladder)trans-149.7159.9-177.859.6-90.4000112.6L32 L40 L67 R68 V83 M101L32-Y81 WeakPolarHBondContact CD2-OH 3.48Å; L40-Y81 HydrophobicContact CD1-CE1 4.37Å; L40-Y81 WeakPolarHBondContact CD1-OH 3.4Å; L67-Y81 HydrophobicContact CD1-CD2 3.87Å; L67-Y81 HydrophobicContact CD1-CE2 4.05Å; L67-Y81 HydrophobicContact CD1-CG 4.32Å; L67-Y81 HydrophobicContact CD2-CD2 4.04Å; L67-Y81 HydrophobicContact CD2-CE2 4.24Å; L67-Y81 HydrophobicContact CG-CD2 4.38Å; R68-Y81 CarbonylContact O-C 3.54Å; R68-Y81 WeakPolarHBondContact O-CA 3.46Å; Y81-V83 HydrophobicContact CD2-CG2 4.36Å; Y81-V83 HydrophobicContact CE2-CG2 4.07Å; Y81-M101 HydrophobicContact CD1-CB 4.27Å; Y81-M101 HydrophobicContact CD2-CB 4.04Å; Y81-M101 HydrophobicContact CD2-CG 4.16Å; Y81-M101 HydrophobicContact CE1-CB 3.83Å; Y81-M101 HydrophobicContact CE1-CG 4.47Å; Y81-M101 HydrophobicContact CE2-CB 3.58Å; Y81-M101 HydrophobicContact CE2-CG 3.43Å; Y81-M101 VanDerWaalsContact CE2-CG 3.43Å; Y81-M101 HydrophobicContact CG-CB 4.35Å; Y81-M101 VanDerWaalsContact CZ-CB 3.45Å; Y81-M101 PolarHBondContact N-O 2.87Å; Y81-M101 PolarHBondContact O-N 3.1Å; Y81-M101 VanDerWaalsContact O-O 3.11Å
82H97.7Very high96.2Very high32 Ų3260.4 Ų60.415%0.14833%0.334CS..EExtended strand (participates in β ladder)trans-107.7135.1169.417955.7000110.3F53 L67 R68 I70 V84 F99 W100F53-H82 HydrophobicContact CE1-CB 3.64Å; F53-H82 AromaticContact CE1-CD2 3.75Å; F53-H82 AromaticContact CE1-CG 3.93Å; F53-H82 HydrophobicContact CZ-CB 4.47Å; F53-H82 AromaticContact CZ-CD2 3.83Å; L67-H82 CarbonylContact C-O 3.55Å; L67-H82 VanDerWaalsContact CA-O 3.3Å; L67-H82 WeakPolarHBondContact CA-O 3.34Å; R68-H82 PolarHBondContact N-O 3.22Å; R68-H82 PolarHBondContact O-N 3.32Å; I70-H82 HydrophobicContact CG2-CB 4.38Å; H82-V84 PolarHBondContact O-N 3.2Å; H82-F99 CarbonylContact C-O 3.58Å; H82-F99 WeakPolarHBondContact CA-O 3.34Å; H82-F99 PolarHBondContact ND1-O 2.62Å; H82-W100 HydrophobicContact CB-CD2 4.31Å; H82-W100 HydrophobicContact CB-CE3 3.94Å; H82-W100 HydrophobicContact CB-CH2 4.42Å; H82-W100 HydrophobicContact CB-CZ3 4.03Å; H82-W100 AromaticContact CE1-CE2 3.64Å; H82-W100 AromaticContact CE1-CZ2 3.91Å; H82-W100 AromaticContact CE1-NE1 3.62Å; H82-W100 AromaticContact ND1-CD1 3.9Å; H82-W100 AromaticContact ND1-CD2 3.45Å; H82-W100 AromaticContact ND1-CE2 3.31Å; H82-W100 VanDerWaalsContact ND1-CE2 3.31Å; H82-W100 AromaticContact ND1-CE3 3.98Å; H82-W100 AromaticContact ND1-CG 3.84Å; H82-W100 AromaticContact ND1-CZ2 3.75Å; H82-W100 AromaticContact ND1-NE1 3.56Å
83V96.9Very high95.7Very high21 Ų2163.2 Ų63.213%0.12735%0.354CS..EExtended strand (participates in β ladder)trans-81.792.2171.9-178.70000108.2C65 L67 Y81 P86 F99C65-V83 HydrophobicContact CB-CG1 4.49Å; L67-V83 HydrophobicContact CD2-CB 4.08Å; L67-V83 HydrophobicContact CD2-CG1 4.18Å; L67-V83 HydrophobicContact CD2-CG2 3.7Å; Y81-V83 HydrophobicContact CD2-CG2 4.36Å; Y81-V83 HydrophobicContact CE2-CG2 4.07Å; V83-P86 HydrophobicContact CG1-CB 4.07Å; V83-F99 HydrophobicContact CB-CB 4.46Å; V83-F99 HydrophobicContact CB-CD1 3.89Å; V83-F99 HydrophobicContact CG1-CD1 4Å; V83-F99 HydrophobicContact CG1-CE1 4.44Å; V83-F99 PolarHBondContact N-O 2.91Å; V83-F99 WeakPolarHBondContact O-CD1 3.31Å
84V96.9Very high95.3Very high61 Ų6162 Ų6237%0.3735%0.353SS..EExtended strand (participates in β ladder)trans-63.8-41.3179.8179.30000111.5K66 R68 H82K66-V84 HydrophobicContact CD-CG1 4.42Å; K66-V84 HydrophobicContact CG-CB 4.34Å; K66-V84 PolarHBondContact O-N 3.1Å; R68-V84 HydrophobicContact CB-CG2 3.71Å; H82-V84 PolarHBondContact O-N 3.2Å
85A96.1Very high94.9Very high43 Ų4357.9 Ų57.936%0.35534%0.338SS..EExtended strand (participates in β ladder)trans-144.4114.217500000110.1C65 K66C65-A85 CarbonylContact C-O 3.56Å; C65-A85 WeakPolarHBondContact CA-O 3.39Å; K66-A85 HydrophobicContact CB-CB 3.97Å; K66-A85 PolarHBondContact N-O 3.01Å; K66-A85 PolarHBondContact O-N 2.78Å; K66-A85 VanDerWaalsContact O-N 3.11Å
86P95Very high94.5Very high44 Ų4457.6 Ų57.629%0.28633%0.333SS..  trans-74144.7176.135.1-39.4000110.3V83 L91 F99V83-P86 HydrophobicContact CG1-CB 4.07Å; P86-L91 HydrophobicContact CB-CD1 4.45Å; P86-L91 HydrophobicContact CB-CD2 3.92Å; P86-L91 HydrophobicContact CB-CG 3.87Å; P86-L91 HydrophobicContact CG-CD1 3.91Å; P86-L91 HydrophobicContact CG-CD2 3.63Å; P86-L91 HydrophobicContact CG-CG 3.76Å; P86-F99 HydrophobicContact CB-CE1 4.06Å; P86-F99 HydrophobicContact CG-CE1 3.69Å; P86-F99 HydrophobicContact CG-CZ 4.32Å
87C94.6Very high94.2Very high19 Ų1957 Ų5713%0.12833%0.327CS..  trans-81.4154.4170.469.70000111.2K64 C65 C90 L91K64-C87 HydrophobicContact CB-CB 4.21Å; C65-C87 PolarHBondContact SG-N 3.34Å; C65-C87 VanDerWaalsContact SG-SG 3.62Å; C87-C90 PolarHBondContact O-N 3.31Å; C87-L91 PolarHBondContact O-N 3.48Å
88K94Very high94Very high158 Ų15855.1 Ų55.169%0.68732%0.316SS*.Hα-helixtrans-53.2-42.8-178.4-176175.9-177.6175.80113.8C90 L91 L92K88-C90 PolarHBondContact O-N 2.96Å; K88-L91 PolarHBondContact O-N 3.27Å; K88-L92 HydrophobicContact CG-CD1 3.87Å; K88-L92 HydrophobicContact CG-CG 4.32Å; K88-L92 WeakPolarHBondContact O-CG 3.42Å; K88-L92 PolarHBondContact O-N 3.02Å
89P92.9Very high93.9Very high90 Ų9053.7 Ų53.758%0.58431%0.31SS*.Hα-helixtrans-57.9-43.2174.7-26.835.5000113.8L92 S93P89-L92 PolarHBondContact O-N 3.21Å; P89-S93 WeakPolarHBondContact O-CB 3.33Å; P89-S93 PolarHBondContact O-N 3.32Å; P89-S93 PolarHBondContact O-OG 3.43Å
90C91.8Very high93.9Very high26 Ų2654.9 Ų54.918%0.17631%0.314CS..Hα-helixtrans-67.5-38.8178.8-68.80000111.9C65 C87 K88 L92 S93 N95C65-C90 VanDerWaalsContact SG-SG 3.67Å; C87-C90 PolarHBondContact O-N 3.31Å; K88-C90 PolarHBondContact O-N 2.96Å; C90-L92 VanDerWaalsContact C-N 3.33Å; C90-L92 PolarHBondContact O-N 3.05Å; C90-S93 PolarHBondContact O-N 3.43Å; C90-N95 PolarHBondContact O-ND2 3.32Å
91L91.3Very high93.9Very high92 Ų9255.5 Ų55.548%0.48232%0.317SS..Hα-helixtrans-62.5-38.3174.8-77.2176.5000113P86 C87 K88 N95P86-L91 HydrophobicContact CB-CD1 4.45Å; P86-L91 HydrophobicContact CB-CD2 3.92Å; P86-L91 HydrophobicContact CB-CG 3.87Å; P86-L91 HydrophobicContact CG-CD1 3.91Å; P86-L91 HydrophobicContact CG-CD2 3.63Å; P86-L91 HydrophobicContact CG-CG 3.76Å; C87-L91 PolarHBondContact O-N 3.48Å; K88-L91 PolarHBondContact O-N 3.27Å; L91-N95 PolarHBondContact O-ND2 3.36Å
92L90.9Very high93.9Very high135 Ų13554.3 Ų54.371%0.70731%0.312SS*.Hα-helixtrans-84.2-11.8179.8-65176.9000113.4K88 P89 C90K88-L92 HydrophobicContact CG-CD1 3.87Å; K88-L92 HydrophobicContact CG-CG 4.32Å; K88-L92 WeakPolarHBondContact O-CG 3.42Å; K88-L92 PolarHBondContact O-N 3.02Å; P89-L92 PolarHBondContact O-N 3.21Å; C90-L92 VanDerWaalsContact C-N 3.33Å; C90-L92 PolarHBondContact O-N 3.05Å
93S89.1Confident94Very high61 Ų6155.2 Ų55.243%0.42732%0.318SS..SBendtrans-79.6172.5175.8-65.10000111.2P89 C90 N95P89-S93 WeakPolarHBondContact O-CB 3.33Å; P89-S93 PolarHBondContact O-N 3.32Å; P89-S93 PolarHBondContact O-OG 3.43Å; C90-S93 PolarHBondContact O-N 3.43Å; S93-N95 PolarHBondContact O-N 3.01Å; S93-N95 PolarHBondContact O-ND2 3.38Å
94C88.2Confident94Very high70 Ų7056.6 Ų56.647%0.47333%0.328SS..SBendtrans-7296.9173.6178.70000110.7S4 L33S4-C94 WeakPolarHBondContact CB-SG 3.47Å; S4-C94 PolarHBondContact OG-SG 3.41Å; L33-C94 WeakPolarHBondContact CD2-O 3.3Å
95N90.1Very high94Very high61 Ų6159.3 Ų59.333%0.32634%0.341SS..  trans-120.5163.7173.765.572.8000110.5F6 L33 C90 L91 S93 G97F6-N95 WeakPolarHBondContact CE2-O 3.29Å; L33-N95 HydrophobicContact CD1-CB 4.38Å; C90-N95 PolarHBondContact O-ND2 3.32Å; L91-N95 PolarHBondContact O-ND2 3.36Å; S93-N95 PolarHBondContact O-N 3.01Å; S93-N95 PolarHBondContact O-ND2 3.38Å; N95-G97 PolarHBondContact OD1-N 3.35Å
96N90.6Very high94.1Very high40 Ų4057.4 Ų57.421%0.21433%0.325CS..  trans-94.37.2176.464.20.5000113.1F6 M28 S42 H98F6-N96 HydrophobicContact CD1-CB 4.01Å; F6-N96 HydrophobicContact CD2-CB 4.09Å; F6-N96 HydrophobicContact CE1-CB 3.99Å; F6-N96 HydrophobicContact CE2-CB 4.07Å; F6-N96 HydrophobicContact CG-CB 4.06Å; F6-N96 HydrophobicContact CZ-CB 4.02Å; M28-N96 HydrophobicContact SD-CB 4.01Å; M28-N96 PolarHBondContact SD-ND2 3.3Å; M28-N96 VanDerWaalsContact SD-ND2 3.36Å; S42-N96 PolarHBondContact OG-ND2 2.88Å; N96-H98 PolarHBondContact ND2-ND1 2.97Å; N96-H98 PolarHBondContact O-CD2 3.19Å; N96-H98 VanDerWaalsContact O-CD2 3.27Å; N96-H98 PolarHBondContact O-N 3.45Å; N96-H98 WeakPolarHBondContact OD1-CB 3.18Å; N96-H98 PolarHBondContact OD1-N 2.89Å; N96-H98 VanDerWaalsContact OD1-N 3.09Å
97G91.6Very high94.2Very high40 Ų4055.7 Ų55.741%0.41231%0.314SS..SBendtrans74.33-178.300000115.6N95 F99N95-G97 PolarHBondContact OD1-N 3.35Å; G97-F99 WeakPolarHBondContact O-CD2 3.44Å; G97-F99 VanDerWaalsContact O-CE2 3.31Å; G97-F99 WeakPolarHBondContact O-CE2 3.24Å
98H95.2Very high94.4Very high27 Ų2757.3 Ų57.313%0.12533%0.326CS..  trans-82.7137.7-179.5-60.6178000111.2S42 T43 N96 W123S42-H98 WeakPolarHBondContact CB-ND1 3.31Å; S42-H98 PolarHBondContact OG-ND1 3.37Å; T43-H98 WeakPolarHBondContact O-CB 3.48Å; N96-H98 PolarHBondContact ND2-ND1 2.97Å; N96-H98 PolarHBondContact O-CD2 3.19Å; N96-H98 VanDerWaalsContact O-CD2 3.27Å; N96-H98 PolarHBondContact O-N 3.45Å; N96-H98 WeakPolarHBondContact OD1-CB 3.18Å; N96-H98 PolarHBondContact OD1-N 2.89Å; N96-H98 VanDerWaalsContact OD1-N 3.09Å; H98-W123 AromaticContact CE1-CH2 3.54Å; H98-W123 AromaticContact CE1-CZ2 3.93Å; H98-W123 AromaticContact CE1-CZ3 3.92Å; H98-W123 AromaticContact NE2-CH2 3.98Å; H98-W123 AromaticContact NE2-CZ3 3.94Å
99F96.4Very high94.6Very high79 Ų7952.9 Ų52.935%0.34631%0.312SS..  trans-107.2-4.6179.7-68.4-83.6000113.5H82 V83 P86 G97H82-F99 CarbonylContact C-O 3.58Å; H82-F99 WeakPolarHBondContact CA-O 3.34Å; H82-F99 PolarHBondContact ND1-O 2.62Å; V83-F99 HydrophobicContact CB-CB 4.46Å; V83-F99 HydrophobicContact CB-CD1 3.89Å; V83-F99 HydrophobicContact CG1-CD1 4Å; V83-F99 HydrophobicContact CG1-CE1 4.44Å; V83-F99 PolarHBondContact N-O 2.91Å; V83-F99 WeakPolarHBondContact O-CD1 3.31Å; P86-F99 HydrophobicContact CB-CE1 4.06Å; P86-F99 HydrophobicContact CG-CE1 3.69Å; P86-F99 HydrophobicContact CG-CZ 4.32Å; G97-F99 WeakPolarHBondContact O-CD2 3.44Å; G97-F99 VanDerWaalsContact O-CE2 3.31Å; G97-F99 WeakPolarHBondContact O-CE2 3.24Å
100W97.9Very high94.8Very high25 Ų2553.9 Ų53.910%0.09531%0.312CS..EExtended strand (participates in β ladder)trans-114.6120.1-178.1-65.189.8000109.2S42 T43 P46 P47 V51 F53 I70 H82S42-W100 WeakPolarHBondContact CA-O 3.36Å; T43-W100 HydrophobicContact CG2-CB 3.51Å; T43-W100 HydrophobicContact CG2-CG 4.3Å; T43-W100 PolarHBondContact N-O 3.18Å; T43-W100 VanDerWaalsContact N-O 3.1Å; P46-W100 HydrophobicContact CB-CZ2 3.91Å; P47-W100 VanDerWaalsContact CD-CE3 3.47Å; P47-W100 HydrophobicContact CG-CD2 4.08Å; P47-W100 HydrophobicContact CG-CE3 3.68Å; P47-W100 HydrophobicContact CG-CZ3 4.08Å; V51-W100 HydrophobicContact CG2-CZ3 4.24Å; F53-W100 AromaticContact CE1-CH2 3.91Å; F53-W100 HydrophobicContact CE1-CH2 3.91Å; F53-W100 HydrophobicContact CE1-CZ3 4.11Å; F53-W100 AromaticContact CZ-CH2 3.67Å; F53-W100 HydrophobicContact CZ-CH2 3.67Å; F53-W100 HydrophobicContact CZ-CZ2 4.38Å; F53-W100 HydrophobicContact CZ-CZ3 4.33Å; I70-W100 HydrophobicContact CD1-CE3 4.32Å; I70-W100 HydrophobicContact CG2-CE3 4.37Å; I70-W100 HydrophobicContact CG2-CZ3 3.89Å; H82-W100 HydrophobicContact CB-CD2 4.31Å; H82-W100 HydrophobicContact CB-CE3 3.94Å; H82-W100 HydrophobicContact CB-CH2 4.42Å; H82-W100 HydrophobicContact CB-CZ3 4.03Å; H82-W100 AromaticContact CE1-CE2 3.64Å; H82-W100 AromaticContact CE1-CZ2 3.91Å; H82-W100 AromaticContact CE1-NE1 3.62Å; H82-W100 AromaticContact ND1-CD1 3.9Å; H82-W100 AromaticContact ND1-CD2 3.45Å; H82-W100 AromaticContact ND1-CE2 3.31Å; H82-W100 VanDerWaalsContact ND1-CE2 3.31Å; H82-W100 AromaticContact ND1-CE3 3.98Å; H82-W100 AromaticContact ND1-CG 3.84Å; H82-W100 AromaticContact ND1-CZ2 3.75Å; H82-W100 AromaticContact ND1-NE1 3.56Å
101M97.7Very high95.1Very high17 Ų1756.3 Ų56.38%0.08432%0.323CS..EExtended strand (participates in β ladder)trans-121138.8-174.7-54.5-56.4-6100110A30 L40 F41 S42 G80 Y81A30-M101 HydrophobicContact CB-CE 4.18Å; L40-M101 HydrophobicContact CB-CE 3.77Å; L40-M101 HydrophobicContact CD1-CE 3.7Å; L40-M101 HydrophobicContact CG-CE 4.43Å; F41-M101 CarbonylContact O-C 3.54Å; F41-M101 WeakPolarHBondContact O-CA 3.2Å; S42-M101 WeakPolarHBondContact CB-SD 3.33Å; G80-M101 CarbonylContact C-O 3.44Å; G80-M101 VanDerWaalsContact CA-O 3.31Å; G80-M101 WeakPolarHBondContact CA-O 3.33Å; Y81-M101 HydrophobicContact CD1-CB 4.27Å; Y81-M101 HydrophobicContact CD2-CB 4.04Å; Y81-M101 HydrophobicContact CD2-CG 4.16Å; Y81-M101 HydrophobicContact CE1-CB 3.83Å; Y81-M101 HydrophobicContact CE1-CG 4.47Å; Y81-M101 HydrophobicContact CE2-CB 3.58Å; Y81-M101 HydrophobicContact CE2-CG 3.43Å; Y81-M101 VanDerWaalsContact CE2-CG 3.43Å; Y81-M101 HydrophobicContact CG-CB 4.35Å; Y81-M101 VanDerWaalsContact CZ-CB 3.45Å; Y81-M101 PolarHBondContact N-O 2.87Å; Y81-M101 PolarHBondContact O-N 3.1Å; Y81-M101 VanDerWaalsContact O-O 3.11Å
102F98.3Very high95.4Very high0 Ų055.9 Ų55.90%032%0.315CS..EExtended strand (participates in β ladder)trans-114.9131.9173.4-58.7-79.3000109.3V14 L23 C24 F41 T43 P47 V51 I70 V79 V107V14-F102 HydrophobicContact CG1-CB 4.33Å; V14-F102 HydrophobicContact CG1-CD2 4.22Å; V14-F102 HydrophobicContact CG1-CG 4.15Å; L23-F102 HydrophobicContact CB-CE1 3.95Å; L23-F102 HydrophobicContact CB-CZ 4.18Å; L23-F102 HydrophobicContact CD1-CD1 3.97Å; L23-F102 HydrophobicContact CD1-CE1 3.98Å; C24-F102 HydrophobicContact CB-CE2 4.43Å; C24-F102 HydrophobicContact CB-CZ 4.48Å; F41-F102 HydrophobicContact CB-CB 4.32Å; F41-F102 PolarHBondContact N-O 3.08Å; F41-F102 PolarHBondContact O-N 3.13Å; T43-F102 HydrophobicContact CG2-CE2 3.72Å; T43-F102 HydrophobicContact CG2-CZ 4.26Å; P47-F102 HydrophobicContact CB-CZ 4.31Å; P47-F102 HydrophobicContact CG-CZ 4.06Å; V51-F102 HydrophobicContact CG1-CE1 4.21Å; I70-F102 HydrophobicContact CD1-CD1 4.23Å; I70-F102 HydrophobicContact CD1-CE1 3.96Å; V79-F102 HydrophobicContact CG2-CD1 4.31Å; V79-F102 HydrophobicContact CG2-CE1 4.49Å; V79-F102 CarbonylContact O-C 3.19Å; V79-F102 VanDerWaalsContact O-CA 3.28Å; V79-F102 WeakPolarHBondContact O-CA 3.2Å; F102-V107 HydrophobicContact CB-CG1 3.85Å; F102-V107 HydrophobicContact CB-CG2 4.32Å; F102-V107 HydrophobicContact CD1-CG1 4.36Å; F102-V107 HydrophobicContact CG-CG1 4.39Å
103N97.8Very high95.8Very high50 Ų5054.1 Ų54.127%0.26731%0.305SS..EExtended strand (participates in β ladder)trans-73.4131.4178.4-62.5-21.3000109.5L40 V79 D105 A106 V107L40-N103 HydrophobicContact CD2-CB 4.45Å; V79-N103 PolarHBondContact O-N 2.84Å; N103-D105 WeakPolarHBondContact CB-OD1 3.43Å; N103-D105 PolarHBondContact O-N 2.55Å; N103-A106 HydrophobicContact CB-CB 4.27Å; N103-A106 PolarHBondContact O-N 2.81Å; N103-V107 WeakPolarHBondContact O-CG2 3.32Å; N103-V107 PolarHBondContact O-N 2.96Å
104S97.3Very high96.1Very high50 Ų5052.7 Ų52.735%0.3529%0.293SS..THydrogen-bonded Turntrans-62.6-25-175.551.40000113.7E39E39-S104 WeakPolarHBondContact O-CB 3.47Å; E39-S104 PolarHBondContact O-OG 3.5Å
105D97.2Very high96.3Very high118 Ų11855.9 Ų55.963%0.63131%0.313SS*.THydrogen-bonded Turntrans-80.5-14.717663.4-13.5000113.9N103N103-D105 WeakPolarHBondContact CB-OD1 3.43Å; N103-D105 PolarHBondContact O-N 2.55Å
106A98.1Very high96.6Very high3 Ų357.2 Ų57.23%0.02532%0.323CS..THydrogen-bonded Turntrans-105.9-2.3-178.800000113.5I17 Y18 N103I17-A106 WeakPolarHBondContact CG2-O 3.12Å; I17-A106 PolarHBondContact N-O 3.5Å; I17-A106 VanDerWaalsContact N-O 3.13Å; Y18-A106 HydrophobicContact CE2-CB 4.07Å; N103-A106 HydrophobicContact CB-CB 4.27Å; N103-A106 PolarHBondContact O-N 2.81Å
107V98.4Very high96.8Very high9 Ų957.1 Ų57.16%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-133.7148.1-177.1-56.70000113.1V14 N15 L23 F41 F102 N103 T109V14-V107 HydrophobicContact CG1-CB 3.58Å; V14-V107 HydrophobicContact CG1-CG1 3.7Å; V14-V107 HydrophobicContact CG1-CG2 3.76Å; N15-V107 CarbonylContact O-C 3.36Å; N15-V107 WeakPolarHBondContact O-CA 3.37Å; N15-V107 VanDerWaalsContact O-CB 3.28Å; N15-V107 WeakPolarHBondContact O-CB 3.35Å; L23-V107 HydrophobicContact CD1-CG1 3.76Å; F41-V107 HydrophobicContact CD2-CG2 3.88Å; F41-V107 HydrophobicContact CE2-CG2 4.39Å; F102-V107 HydrophobicContact CB-CG1 3.85Å; F102-V107 HydrophobicContact CB-CG2 4.32Å; F102-V107 HydrophobicContact CD1-CG1 4.36Å; F102-V107 HydrophobicContact CG-CG1 4.39Å; N103-V107 WeakPolarHBondContact O-CG2 3.32Å; N103-V107 PolarHBondContact O-N 2.96Å; V107-T109 HydrophobicContact CG2-CG2 4.24Å
108S98.4Very high96.9Very high53 Ų5362.2 Ų62.237%0.37135%0.349SS..EExtended strand (participates in β ladder)trans-103.2154.5163.361.50000109.7N15N15-S108 PolarHBondContact N-O 3.07Å; N15-S108 PolarHBondContact O-N 2.92Å
109T98.1Very high97Very high65 Ų6565.7 Ų65.740%0.39937%0.368SS..EExtended strand (participates in β ladder)trans-138.3152-173.360.50000113.8T12 Q13 V14 F41 V107T12-T109 HydrophobicContact CG2-CG2 4.02Å; Q13-T109 VanDerWaalsContact O-CA 3.23Å; Q13-T109 WeakPolarHBondContact O-CA 3.33Å; V14-T109 HydrophobicContact CG1-CG2 4.39Å; V14-T109 HydrophobicContact CG2-CG2 4.18Å; F41-T109 HydrophobicContact CD1-CG2 3.89Å; F41-T109 HydrophobicContact CD2-CG2 3.84Å; F41-T109 HydrophobicContact CE1-CG2 3.62Å; F41-T109 HydrophobicContact CE2-CG2 3.58Å; F41-T109 HydrophobicContact CG-CG2 3.99Å; F41-T109 HydrophobicContact CZ-CG2 3.46Å; F41-T109 VanDerWaalsContact CZ-CG2 3.46Å; V107-T109 HydrophobicContact CG2-CG2 4.24Å
110L97.6Very high97.1Very high111 Ų11165.6 Ų65.658%0.58137%0.371SS*.EExtended strand (participates in β ladder)trans-141.2122.3176.1179.667.3000109.7Q13 R112Q13-L110 HydrophobicContact CB-CB 4.48Å; Q13-L110 PolarHBondContact N-O 2.84Å; Q13-L110 PolarHBondContact O-N 3.29Å; L110-R112 PolarHBondContact O-N 2.84Å
111N97.9Very high97Very high76 Ų7665.1 Ų65.141%0.40637%0.37SS..EExtended strand (participates in β ladder)trans-63.5133.3173.3-71.1-28.1000110T12 L120T12-N111 PolarHBondContact OG1-OD1 3.24Å; N111-L120 HydrophobicContact CB-CD2 3.89Å
112R97.6Very high97Very high84 Ų8466.8 Ų66.832%0.31738%0.379SS..PPolyproline II helixtrans-80.8145.2178.7-68.7179.259.7-163.2-5110.3V11 Q13 T25 L110 L120 L121V11-R112 PolarHBondContact O-N 3.09Å; Q13-R112 HydrophobicContact CB-CG 4.36Å; T25-R112 WeakPolarHBondContact O-CD 3.43Å; T25-R112 PolarHBondContact O-NH1 2.86Å; L110-R112 PolarHBondContact O-N 2.84Å; R112-L120 CarbonylContact O-C 3.59Å; R112-L120 WeakPolarHBondContact O-CA 3.25Å; R112-L121 HydrophobicContact CB-CB 4.22Å; R112-L121 HydrophobicContact CB-CD2 4.32Å; R112-L121 PolarHBondContact O-N 2.77Å
113L97.5Very high96.9Very high97 Ų9768 Ų6851%0.50838%0.384SS..BIsolated β-bridgetrans-85.4152.9168.9-62170.3000110.3N119 L120L113-N119 CarbonylContact C-O 3.53Å; L113-N119 VanDerWaalsContact CA-O 3.24Å; L113-N119 WeakPolarHBondContact CA-O 3.17Å; L113-N119 WeakPolarHBondContact CD2-O 3.47Å; L113-L120 HydrophobicContact CD2-CD2 4.11Å
114D95.6Very high96.7Very high31 Ų3167.5 Ų67.517%0.16639%0.39CS..PPolyproline II helixtrans-65.8171168.774.913.7000110.9T116 G117 N119D114-T116 VanDerWaalsContact CG-OG1 3.28Å; D114-T116 PolarHBondContact O-N 3.28Å; D114-T116 VanDerWaalsContact O-N 3.09Å; D114-T116 VanDerWaalsContact OD1-CA 3.32Å; D114-T116 WeakPolarHBondContact OD1-CA 3.49Å; D114-T116 VanDerWaalsContact OD1-CB 3.29Å; D114-T116 WeakPolarHBondContact OD1-CB 3.37Å; D114-T116 PolarHBondContact OD1-N 2.86Å; D114-T116 PolarHBondContact OD1-OG1 3.33Å; D114-T116 PolarHBondContact OD2-OG1 2.91Å; D114-G117 PolarHBondContact O-N 3.17Å; D114-G117 PolarHBondContact OD1-N 2.98Å; D114-N119 PolarHBondContact N-O 2.94Å; D114-N119 WeakPolarHBondContact OD2-CB 3.3Å; D114-N119 PolarHBondContact OD2-ND2 2.83Å; D114-N119 VanDerWaalsContact OD2-ND2 3.09Å
115P94.1Very high96.5Very high138 Ų13870.5 Ų70.590%0.89640%0.402SS*.THydrogen-bonded Turntrans-60.9-18.1179-25.936.2000115G117P115-G117 VanDerWaalsContact C-N 3.32Å
116T95.4Very high96.3Very high89 Ų8966.1 Ų66.155%0.54638%0.379SS..THydrogen-bonded Turntrans-78.4-21.6175.279.70000111.8D114 L118D114-T116 VanDerWaalsContact CG-OG1 3.28Å; D114-T116 PolarHBondContact O-N 3.28Å; D114-T116 VanDerWaalsContact O-N 3.09Å; D114-T116 VanDerWaalsContact OD1-CA 3.32Å; D114-T116 WeakPolarHBondContact OD1-CA 3.49Å; D114-T116 VanDerWaalsContact OD1-CB 3.29Å; D114-T116 WeakPolarHBondContact OD1-CB 3.37Å; D114-T116 PolarHBondContact OD1-N 2.86Å; D114-T116 PolarHBondContact OD1-OG1 3.33Å; D114-T116 PolarHBondContact OD2-OG1 2.91Å; T116-L118 PolarHBondContact O-N 3.38Å; T116-L118 WeakPolarHBondContact OG1-CB 3.12Å; T116-L118 PolarHBondContact OG1-N 2.94Å
117G94.4Very high95.9Very high38 Ų3870.4 Ų70.439%0.39241%0.407SS..SBendtrans75.23.9-175.200000114D114 P115D114-G117 PolarHBondContact O-N 3.17Å; D114-G117 PolarHBondContact OD1-N 2.98Å; P115-G117 VanDerWaalsContact C-N 3.32Å
118L94.5Very high95.3Very high146 Ų14678.9 Ų78.976%0.76445%0.446SS*.SBendtrans-99.4-29.1-174.8-60.1177.8000113T116T116-L118 PolarHBondContact O-N 3.38Å; T116-L118 WeakPolarHBondContact OG1-CB 3.12Å; T116-L118 PolarHBondContact OG1-N 2.94Å
119N96.8Very high94.5Very high101 Ų10180.2 Ų80.254%0.5445%0.448SS..SBendtrans-121.6164.2179.8-47.7-74.8000111.7L113 D114L113-N119 CarbonylContact C-O 3.53Å; L113-N119 VanDerWaalsContact CA-O 3.24Å; L113-N119 WeakPolarHBondContact CA-O 3.17Å; L113-N119 WeakPolarHBondContact CD2-O 3.47Å; D114-N119 PolarHBondContact N-O 2.94Å; D114-N119 WeakPolarHBondContact OD2-CB 3.3Å; D114-N119 PolarHBondContact OD2-ND2 2.83Å; D114-N119 VanDerWaalsContact OD2-ND2 3.09Å
120L97.5Very high93.3Very high76 Ų7685.9 Ų85.940%0.39847%0.47SS..BIsolated β-bridgetrans-71.4134.1169.1-58.9-178.2000109.8C10 N111 R112 L113 L122C10-L120 VanDerWaalsContact SG-CD1 3.56Å; N111-L120 HydrophobicContact CB-CD2 3.89Å; R112-L120 CarbonylContact O-C 3.59Å; R112-L120 WeakPolarHBondContact O-CA 3.25Å; L113-L120 HydrophobicContact CD2-CD2 4.11Å; L120-L122 PolarHBondContact O-N 2.8Å
121L97.5Very high91.2Very high15 Ų1587.5 Ų87.58%0.07948%0.479CS..PPolyproline II helixtrans-66.5127.6173.2-179.662.9000109.4C10 V11 R112 D125 L126C10-L121 WeakPolarHBondContact CA-O 3.24Å; V11-L121 HydrophobicContact CB-CB 4.32Å; V11-L121 HydrophobicContact CB-CD2 4Å; V11-L121 HydrophobicContact CB-CG 4.05Å; V11-L121 HydrophobicContact CG1-CD2 4.27Å; V11-L121 HydrophobicContact CG2-CB 4.39Å; V11-L121 HydrophobicContact CG2-CD2 4.06Å; V11-L121 HydrophobicContact CG2-CG 3.77Å; V11-L121 PolarHBondContact N-O 2.87Å; R112-L121 HydrophobicContact CB-CB 4.22Å; R112-L121 HydrophobicContact CB-CD2 4.32Å; R112-L121 PolarHBondContact O-N 2.77Å; L121-D125 HydrophobicContact CD1-CB 4.24Å; L121-L126 HydrophobicContact CD2-CD2 3.88Å; L121-L126 HydrophobicContact CG-CD2 4.45Å
122L97Very high88.9Confident52 Ų5289.4 Ų89.427%0.27250%0.498SS..BIsolated β-bridgetrans-100153.2177.5-52.7-179.6000111.3K7 K9 L120 G124 D125K7-L122 WeakPolarHBondContact O-CB 3.25Å; K9-L122 CarbonylContact O-C 3.59Å; K9-L122 WeakPolarHBondContact O-CA 3.41Å; L120-L122 PolarHBondContact O-N 2.8Å; L122-G124 PolarHBondContact O-N 3.17Å; L122-D125 WeakPolarHBondContact CB-OD2 3.33Å; L122-D125 PolarHBondContact O-N 3Å; L122-D125 VanDerWaalsContact O-N 3.08Å
123W95.7Very high86.4Confident27 Ų2793.8 Ų93.810%0.10252%0.523CS..G310 helixtrans-61.1-31.1178.1-88.390.2000113F6 K7 K9 C10 V11 R26 G27 M28 D44 H98 D125 L126F6-W123 WeakPolarHBondContact O-CB 3.38Å; K7-W123 PolarHBondContact O-N 2.86Å; K9-W123 VanDerWaalsContact O-CD1 3.3Å; K9-W123 PolarHBondContact O-N 2.99Å; C10-W123 PolarHBondContact O-NE1 2.95Å; V11-W123 HydrophobicContact CG2-CD2 4.34Å; V11-W123 HydrophobicContact CG2-CG 4.06Å; R26-W123 HydrophobicContact CB-CH2 4.07Å; R26-W123 HydrophobicContact CB-CZ2 4.48Å; R26-W123 WeakPolarHBondContact O-CH2 3.43Å; R26-W123 WeakPolarHBondContact O-CZ2 3.01Å; G27-W123 WeakPolarHBondContact O-CZ2 3.42Å; G27-W123 PolarHBondContact O-NE1 3.08Å; M28-W123 HydrophobicContact CB-CZ2 3.6Å; M28-W123 HydrophobicContact CE-CB 4.17Å; M28-W123 HydrophobicContact CE-CD2 3.31Å; M28-W123 HydrophobicContact CE-CE3 3.8Å; M28-W123 HydrophobicContact CE-CG 3.45Å; M28-W123 VanDerWaalsContact CE-CG 3.45Å; M28-W123 HydrophobicContact CE-CZ2 4.15Å; M28-W123 HydrophobicContact CE-CZ3 4.39Å; D44-W123 HydrophobicContact CB-CH2 4.24Å; D44-W123 HydrophobicContact CB-CZ3 4.1Å; D44-W123 WeakPolarHBondContact OD1-CH2 3.3Å; D44-W123 WeakPolarHBondContact OD2-CZ3 3.24Å; H98-W123 AromaticContact CE1-CH2 3.54Å; H98-W123 AromaticContact CE1-CZ2 3.93Å; H98-W123 AromaticContact CE1-CZ3 3.92Å; H98-W123 AromaticContact NE2-CH2 3.98Å; H98-W123 AromaticContact NE2-CZ3 3.94Å; W123-D125 PolarHBondContact O-N 2.86Å; W123-L126 HydrophobicContact CD2-CD1 3.78Å; W123-L126 HydrophobicContact CE3-CD1 3.46Å; W123-L126 VanDerWaalsContact CE3-CD1 3.46Å; W123-L126 HydrophobicContact CG-CD1 4.37Å; W123-L126 HydrophobicContact CH2-CD1 4.33Å; W123-L126 HydrophobicContact CZ3-CD1 3.77Å; W123-L126 PolarHBondContact O-N 2.8Å
124G93.8Very high84Confident39 Ų3996 Ų9640%0.40254%0.535SS..G310 helixtrans-66-18.8175.500000114.7K7 L122K7-G124 PolarHBondContact O-N 3.07Å; L122-G124 PolarHBondContact O-N 3.17Å
125D94.4Very high81.5Confident112 Ų112103 Ų10360%0.59957%0.567SS**G310 helixtrans-102.81.2-176.4-53.5-43.2000112.3L121 L122 W123L121-D125 HydrophobicContact CD1-CB 4.24Å; L122-D125 WeakPolarHBondContact CB-OD2 3.33Å; L122-D125 PolarHBondContact O-N 3Å; L122-D125 VanDerWaalsContact O-N 3.08Å; W123-D125 PolarHBondContact O-N 2.86Å
126L92.6Very high78.8Confident27 Ų2799.7 Ų99.714%0.14156%0.557CS.*SBendtrans-72.9143.9176-75.8172.7000110.8V11 R26 L121 W123V11-L126 HydrophobicContact CG1-CD1 4.13Å; V11-L126 HydrophobicContact CG1-CD2 4.3Å; V11-L126 HydrophobicContact CG2-CD1 3.54Å; V11-L126 HydrophobicContact CG2-CD2 4.04Å; V11-L126 HydrophobicContact CG2-CG 3.74Å; R26-L126 HydrophobicContact CG-CD1 4.49Å; L121-L126 HydrophobicContact CD2-CD2 3.88Å; L121-L126 HydrophobicContact CG-CD2 4.45Å; W123-L126 HydrophobicContact CD2-CD1 3.78Å; W123-L126 HydrophobicContact CE3-CD1 3.46Å; W123-L126 VanDerWaalsContact CE3-CD1 3.46Å; W123-L126 HydrophobicContact CG-CD1 4.37Å; W123-L126 HydrophobicContact CH2-CD1 4.33Å; W123-L126 HydrophobicContact CZ3-CD1 3.77Å; W123-L126 PolarHBondContact O-N 2.8Å
127P90Very high76.3Confident93 Ų93101 Ų10160%0.60457%0.57SS**PPolyproline II helixtrans-62.3145.1169.128-33.4000109.6R26R26-P127 PolarHBondContact NH1-O 3.19Å; R26-P127 PolarHBondContact NH2-O 3.23Å
128E84.1Confident73.6Confident187 Ų187106.3 Ų106.387%0.87459%0.59SS**PPolyproline II helixtrans-58.7145167.8-68.2-177.9179.400109.1E130E128-E130 PolarHBondContact O-N 2.88Å
129L83.1Confident70.9Confident81 Ų81105.4 Ų105.442%0.42459%0.59SS.*PPolyproline II helixtrans-73.7125.3174.3-58177.6000107D44 I45 D131D44-L129 HydrophobicContact CB-CD1 4.43Å; I45-L129 HydrophobicContact CD1-CD1 4.5Å; I45-L129 HydrophobicContact CD1-CD2 3.5Å; I45-L129 VanDerWaalsContact CD1-CD2 3.5Å; I45-L129 HydrophobicContact CG1-CD1 3.73Å; I45-L129 HydrophobicContact CG1-CD2 3.67Å; I45-L129 HydrophobicContact CG1-CG 4.38Å; L129-D131 PolarHBondContact O-N 3.11Å
130E72.5Confident68.2Low183 Ų183106.4 Ų106.486%0.85560%0.602SS**PPolyproline II helixtrans-63.5128.6167.2-65.7177.2-173.900107.6E128 S132E128-E130 PolarHBondContact O-N 2.88Å; E130-S132 VanDerWaalsContact C-N 3.32Å; E130-S132 PolarHBondContact O-N 3.17Å
131D52.9Low65.5Low146 Ų146107.4 Ų107.478%0.78162%0.616SS**  trans-62.496.7172.2-69.4-42.1000107.9L129 E133L129-D131 PolarHBondContact O-N 3.11Å; D131-E133 HydrophobicContact CB-CG 4.36Å; D131-E133 PolarHBondContact O-N 3.02Å
132S48.9Very low63.1Low115 Ų115116.5 Ų116.580%0.80466%0.658SS**  trans-74.970.7169.963.70000108.6E130 N134E130-S132 VanDerWaalsContact C-N 3.32Å; E130-S132 PolarHBondContact O-N 3.17Å; S132-N134 PolarHBondContact O-N 2.94Å
133E46.9Very low60.6Low177 Ų177122.4 Ų122.483%0.82768%0.684SS**  trans-70.678.4164-67.7-171.6154.200109.1D131D131-E133 HydrophobicContact CB-CG 4.36Å; D131-E133 PolarHBondContact O-N 3.02Å
134N46.7Very low58.2Low143 Ų143130.3 Ų130.377%0.76572%0.722SS**  trans-168.8152.7149.3-136.3-15.5000112.5S132S132-N134 PolarHBondContact O-N 2.94Å
135E42.2Very low55.9Low179 Ų179134.6 Ų134.684%0.83674%0.744SS**SBendtrans95.283.3-179.9-51.6-62.8152.600115.5
136G38.1Very low53.8Low68 Ų68137 Ų13770%0.70176%0.756SS**  trans111.365.8146.700000117D138G136-D138 PolarHBondContact O-N 2.91Å
137S42.8Very low51.3Low115 Ų115150.9 Ų150.980%0.80481%0.806SS**  trans-71.271.415864.20000110.3
138D38.3Very low49.4Very low151 Ų151153.8 Ų153.881%0.80782%0.816SS**  trans-99.988.4159.9-80.5-32.7000107.2G136 P140G136-D138 PolarHBondContact O-N 2.91Å; D138-P140 VanDerWaalsContact O-CD 3.25Å; D138-P140 WeakPolarHBondContact O-CD 3.25Å
139T37Very low47.6Very low127 Ų127152.1 Ų152.178%0.77981%0.813SS**  trans-63.3118162.243.80000108.6S141T139-S141 PolarHBondContact O-N 2.79Å
140P39.8Very low45.6Very low121 Ų121156 Ų15679%0.78684%0.835SS**  trans-71.4114.3157.7-5.824.7000106.3D138 E142D138-P140 VanDerWaalsContact O-CD 3.25Å; D138-P140 WeakPolarHBondContact O-CD 3.25Å; P140-E142 PolarHBondContact O-N 3.5Å
141S41.9Very low44Very low98 Ų98154.4 Ų154.469%0.68583%0.834SS**  trans-40.1134.8168.947.70000111.9T139 E143T139-S141 PolarHBondContact O-N 2.79Å; S141-E143 PolarHBondContact O-N 3.23Å
142E45.5Very low43.5Very low206 Ų206154.9 Ų154.996%0.96384%0.837SS**SBendtrans-68.538.2-178.9-59.8-178.5122.800114.2P140P140-E142 PolarHBondContact O-N 3.5Å
143E45.1Very low43.1Very low176 Ų176157.6 Ų157.682%0.82284%0.839SS**  trans-125.524.8-168.8-112.2-176.5149.700116.4S141S141-E143 PolarHBondContact O-N 3.23Å
144E46Very low42.8Very low192 Ų192156.2 Ų156.290%0.89784%0.84SS**  trans-133.361168.1-103-168.8150.600113.2
145C44.9Very low42.6Very low129 Ų129157.2 Ų157.287%0.87285%0.846SS**  trans-134.359163.2-91.20000111
146I51.4Low42.6Very low164 Ų164155.4 Ų155.484%0.84185%0.846SS**  trans-141.497154.4-54178.3000108.2
147R40.1Very low43Very low318 Ų318163.4 Ų163.4100%1.286%0.86SS**  trans-151.40141.2-72.6-156.3178.4142.24.7109.7

Retrieved 147 of 147 residues in 35.8 ms (Link to these results)

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