G4LX94_SCHMA Loading...

DUF3421 domain-containing protein

AlphaFold DB , UniProt , Accession G4LX94, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 156 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
1M50.4Low71.8Confident57 Ų5786.5 Ų86.528%0.28147%0.465SS..  068.60-170.316973.500113.8K3 V8 Q9 W153M1-K3 HydrophobicContact CE-CD 4.45Å; M1-K3 VanDerWaalsContact CE-CE 3.47Å; M1-K3 HydrophobicContact CE-CG 4.24Å; M1-K3 HydrophobicContact CG-CG 3.76Å; M1-K3 PolarHBondContact O-N 2.77Å; M1-K3 VanDerWaalsContact O-N 3.15Å; M1-K3 HydrophobicContact SD-CG 4.11Å; M1-V8 HydrophobicContact CB-CB 4.28Å; M1-V8 HydrophobicContact CB-CG2 3.42Å; M1-V8 VanDerWaalsContact CB-CG2 3.42Å; M1-V8 HydrophobicContact CG-CB 3.6Å; M1-V8 HydrophobicContact CG-CG2 3.32Å; M1-V8 HydrophobicContact SD-CB 3.72Å; M1-V8 HydrophobicContact SD-CG2 3.73Å; M1-Q9 WeakPolarHBondContact CA-O 3.49Å; M1-Q9 PolarHBondContact N-O 2.78Å; M1-W153 HydrophobicContact CB-CH2 3.6Å; M1-W153 HydrophobicContact CB-CZ2 3.34Å; M1-W153 HydrophobicContact CB-CZ3 4.49Å; M1-W153 HydrophobicContact CE-CH2 4.02Å; M1-W153 HydrophobicContact CG-CH2 4.46Å; M1-W153 HydrophobicContact CG-CZ2 4.42Å; M1-W153 WeakPolarHBondContact O-CZ2 3.43Å
2A52.9Low73.9Confident6 Ų681.3 Ų81.35%0.0544%0.437CS..  trans-60.9118.8148.100000106.2Q9 L81 K156A2-Q9 PolarHBondContact O-N 3.04Å; A2-L81 HydrophobicContact CB-CB 4.46Å; A2-K156 HydrophobicContact CB-CD 4.5Å
3K52.2Low75.7Confident118 Ų11878.4 Ų78.451%0.51343%0.427SS..EExtended strand (participates in β ladder)trans-81.3132177.2-77.2-168.7175.7-172.50109.2M1 S7M1-K3 HydrophobicContact CE-CD 4.45Å; M1-K3 VanDerWaalsContact CE-CE 3.47Å; M1-K3 HydrophobicContact CE-CG 4.24Å; M1-K3 HydrophobicContact CG-CG 3.76Å; M1-K3 PolarHBondContact O-N 2.77Å; M1-K3 VanDerWaalsContact O-N 3.15Å; M1-K3 HydrophobicContact SD-CG 4.11Å; K3-S7 WeakPolarHBondContact CA-O 3.39Å
4F57.3Low77.3Confident154 Ų15476.4 Ų76.468%0.67541%0.41SS*.EExtended strand (participates in β ladder)trans-120.7107.1164.4-167.7-91.7000107.7K6 S7 L81F4-K6 PolarHBondContact O-N 3.27Å; F4-S7 PolarHBondContact N-O 3.34Å; F4-S7 WeakPolarHBondContact O-CB 3.41Å; F4-S7 PolarHBondContact O-N 3.15Å; F4-L81 HydrophobicContact CD2-CD2 4Å
5G73.8Confident78.7Confident72 Ų7274.8 Ų74.874%0.74240%0.401SS*.THydrogen-bonded Turntrans59.5-123.1-16700000111.9
6K80.4Confident80Confident218 Ų21876 Ų7695%0.94841%0.414SS*.THydrogen-bonded Turntrans-91.1-0176-65.7-177.1-179.1177.90113.6F4F4-K6 PolarHBondContact O-N 3.27Å
7S79.8Confident81.1Confident79 Ų7974.7 Ų74.755%0.55240%0.404SS*.EExtended strand (participates in β ladder)trans-94.3160.4-171-560000113K3 F4K3-S7 WeakPolarHBondContact CA-O 3.39Å; F4-S7 PolarHBondContact N-O 3.34Å; F4-S7 WeakPolarHBondContact O-CB 3.41Å; F4-S7 PolarHBondContact O-N 3.15Å
8V80.3Confident82Confident91 Ų9172.8 Ų72.855%0.55240%0.397SS*.EExtended strand (participates in β ladder)trans-121.7134.7179.249.80000111M1M1-V8 HydrophobicContact CB-CB 4.28Å; M1-V8 HydrophobicContact CB-CG2 3.42Å; M1-V8 VanDerWaalsContact CB-CG2 3.42Å; M1-V8 HydrophobicContact CG-CB 3.6Å; M1-V8 HydrophobicContact CG-CG2 3.32Å; M1-V8 HydrophobicContact SD-CB 3.72Å; M1-V8 HydrophobicContact SD-CG2 3.73Å
9Q82.3Confident82.9Confident20 Ų2074.3 Ų74.39%0.09341%0.405CS..  trans-97.5139.4160.9-169.8-163.5-63.900111.1M1 A2 P11 S77 L81M1-Q9 WeakPolarHBondContact CA-O 3.49Å; M1-Q9 PolarHBondContact N-O 2.78Å; A2-Q9 PolarHBondContact O-N 3.04Å; Q9-P11 WeakPolarHBondContact O-CD 3.29Å; Q9-S77 VanDerWaalsContact NE2-CB 3.31Å; Q9-S77 PolarHBondContact NE2-OG 2.86Å; Q9-L81 HydrophobicContact CB-CD1 4.41Å
10I88.7Confident83.6Confident128 Ų12870.9 Ų70.966%0.65639%0.388SS*.  trans-94.2108167.2-57175.4000106.9
11P91.9Very high84.4Confident8 Ų872 Ų725%0.05239%0.393CS..  trans-87.6-5.3-169.733.2-34.4000114.5Q9 T76 S77Q9-P11 WeakPolarHBondContact O-CD 3.29Å; P11-T76 PolarHBondContact O-N 3.43Å; P11-T76 PolarHBondContact O-OG1 3.41Å; P11-S77 WeakPolarHBondContact CB-OG 3.47Å; P11-S77 PolarHBondContact O-N 3.42Å; P11-S77 PolarHBondContact O-OG 3.49Å
12L96.2Very high86.7Confident25 Ų2574.4 Ų74.413%0.13140%0.4CS..EExtended strand (participates in β ladder)trans-136.7140.8-169.9-67.4172.7000110.3I27 L73 C74 T76 Y85 I100L12-I27 HydrophobicContact CD2-CD1 3.39Å; L12-L73 HydrophobicContact CB-CD1 4.03Å; L12-L73 HydrophobicContact CD2-CD1 4.37Å; L12-L73 HydrophobicContact CD2-CG 4.31Å; L12-C74 WeakPolarHBondContact CA-O 3.44Å; L12-T76 PolarHBondContact N-OG1 2.84Å; L12-Y85 HydrophobicContact CD2-CD1 3.76Å; L12-Y85 HydrophobicContact CD2-CE1 4.18Å; L12-Y85 HydrophobicContact CD2-CG 4.35Å; L12-Y85 HydrophobicContact CG-CD1 4.42Å; L12-I100 HydrophobicContact CD1-CD1 3.18Å
13S97.2Very high88.8Confident43 Ų4375.2 Ų75.230%0.30141%0.405SS..EExtended strand (participates in β ladder)trans-138.2140.7176.4-57.50000110.5C74 T76S13-C74 PolarHBondContact N-O 2.94Å; S13-C74 VanDerWaalsContact N-O 3.09Å; S13-C74 PolarHBondContact O-N 3.37Å; S13-T76 WeakPolarHBondContact OG-CG2 3.34Å; S13-T76 PolarHBondContact OG-OG1 3.49Å
14W98.6Very high90.9Very high50 Ų5079.2 Ų79.219%0.18943%0.425CS..EExtended strand (participates in β ladder)trans-90.4119.8171.1-69.3104.9000108V35 R37 E71 L73 A102 I113W14-V35 HydrophobicContact CH2-CG1 4.31Å; W14-R37 VanDerWaalsContact CD1-CZ 3.4Å; W14-R37 HydrophobicContact CD2-CG 4.11Å; W14-R37 HydrophobicContact CE3-CB 4.43Å; W14-R37 HydrophobicContact CE3-CG 3.67Å; W14-R37 HydrophobicContact CH2-CB 3.99Å; W14-R37 HydrophobicContact CH2-CG 4.03Å; W14-R37 HydrophobicContact CZ2-CG 4.44Å; W14-R37 HydrophobicContact CZ3-CB 3.88Å; W14-R37 HydrophobicContact CZ3-CG 3.63Å; W14-E71 HydrophobicContact CB-CB 4.05Å; W14-E71 HydrophobicContact CE3-CB 4.06Å; W14-L73 HydrophobicContact CD2-CB 4.46Å; W14-L73 HydrophobicContact CD2-CD1 3.87Å; W14-L73 HydrophobicContact CE3-CB 3.91Å; W14-L73 HydrophobicContact CE3-CD1 4.19Å; W14-L73 HydrophobicContact CG-CD1 4.4Å; W14-L73 HydrophobicContact CH2-CB 3.86Å; W14-L73 HydrophobicContact CH2-CD1 4.22Å; W14-L73 HydrophobicContact CH2-CD2 4.36Å; W14-L73 HydrophobicContact CH2-CG 4.37Å; W14-L73 HydrophobicContact CZ2-CB 4.4Å; W14-L73 HydrophobicContact CZ2-CD1 3.88Å; W14-L73 HydrophobicContact CZ2-CD2 4.42Å; W14-L73 HydrophobicContact CZ2-CG 4.47Å; W14-L73 HydrophobicContact CZ3-CB 3.58Å; W14-L73 HydrophobicContact CZ3-CD1 4.35Å; W14-L73 HydrophobicContact CZ3-CG 4.46Å; W14-A102 HydrophobicContact CH2-CB 4.15Å; W14-A102 HydrophobicContact CZ2-CB 3.86Å; W14-I113 HydrophobicContact CH2-CD1 4.16Å; W14-I113 HydrophobicContact CZ2-CD1 4.02Å
15I98.5Very high92.8Very high53 Ų5375 Ų7527%0.27241%0.41SS..EExtended strand (participates in β ladder)trans-115.5119.7-176.1-55.6-172.5000108.6Q17 P23 E71 V72 C74I15-Q17 PolarHBondContact O-N 3.09Å; I15-P23 HydrophobicContact CB-CG 4.08Å; I15-P23 HydrophobicContact CD1-CB 4.47Å; I15-P23 HydrophobicContact CD1-CG 4.07Å; I15-P23 HydrophobicContact CG2-CG 3.91Å; I15-E71 CarbonylContact O-C 3.53Å; I15-E71 WeakPolarHBondContact O-CA 3.49Å; I15-V72 PolarHBondContact N-O 3.44Å; I15-V72 PolarHBondContact O-N 3.09Å; I15-C74 HydrophobicContact CD1-CB 3.95Å; I15-C74 HydrophobicContact CG1-CB 4.34Å
16P98.7Very high94Very high94 Ų9472.1 Ų72.161%0.6138%0.38SS*.EExtended strand (participates in β ladder)trans-57.7133.7176.3-24.434000111.8E71P16-E71 HydrophobicContact CG-CG 4.35Å
17Q98.7Very high94.8Very high54 Ų5462 Ų6225%0.25234%0.335SS..EExtended strand (participates in β ladder)trans-147.7171.2177.4-67.7-64.6-52.700109.8I15 N21 P23 Y70 V72I15-Q17 PolarHBondContact O-N 3.09Å; Q17-N21 WeakPolarHBondContact CB-O 3.29Å; Q17-P23 HydrophobicContact CG-CG 4.35Å; Q17-Y70 HydrophobicContact CB-CD2 4.02Å; Q17-Y70 HydrophobicContact CB-CE2 3.61Å; Q17-Y70 PolarHBondContact N-O 3.34Å; Q17-Y70 PolarHBondContact O-N 3.15Å; Q17-Y70 VanDerWaalsContact O-N 3.13Å; Q17-V72 HydrophobicContact CB-CG2 3.89Å; Q17-V72 HydrophobicContact CG-CB 4.4Å; Q17-V72 HydrophobicContact CG-CG2 3.71Å
18S98.5Very high95.7Very high40 Ų4060.7 Ų60.728%0.2833%0.327SS..EExtended strand (participates in β ladder)trans-156.7165.9174.860.10000112.1G20 N21 T68S18-G20 PolarHBondContact O-N 3.29Å; S18-G20 VanDerWaalsContact O-N 3.13Å; S18-N21 VanDerWaalsContact O-CB 3.3Å; S18-N21 WeakPolarHBondContact O-CB 3.01Å; S18-N21 PolarHBondContact O-N 3.3Å; S18-N21 PolarHBondContact O-ND2 3.48Å; S18-T68 CarbonylContact C-O 3.55Å; S18-T68 WeakPolarHBondContact CA-O 3.13Å; S18-T68 WeakPolarHBondContact CB-O 3.42Å
19N98.2Very high96.5Very high101 Ų10157.5 Ų57.554%0.5431%0.307SS..THydrogen-bonded Turntrans56.633165.9-57.7-53000115.3G54 T68N19-G54 CarbonylContact C-O 3.59Å; N19-G54 VanDerWaalsContact C-O 3.29Å; N19-G54 VanDerWaalsContact CA-O 3.27Å; N19-G54 WeakPolarHBondContact CA-O 3.35Å; N19-T68 PolarHBondContact N-O 3.32Å
20G98.2Very high97.1Very high7 Ų758 Ų587%0.07232%0.317CS..THydrogen-bonded Turntrans94.7-6.7178.800000114.5S18 P51 G54 Y70S18-G20 PolarHBondContact O-N 3.29Å; S18-G20 VanDerWaalsContact O-N 3.13Å; G20-P51 WeakPolarHBondContact O-CB 3.49Å; G20-G54 PolarHBondContact N-O 2.8Å; G20-Y70 WeakPolarHBondContact CA-OH 3.38Å; G20-Y70 PolarHBondContact N-OH 2.91Å
21N98.6Very high97.5Very high93 Ų9358.2 Ų58.250%0.49732%0.32SS..  trans-73.1147.4-177.9-63.3-53.7000111.9Q17 S18 Y70Q17-N21 WeakPolarHBondContact CB-O 3.29Å; S18-N21 VanDerWaalsContact O-CB 3.3Å; S18-N21 WeakPolarHBondContact O-CB 3.01Å; S18-N21 PolarHBondContact O-N 3.3Å; S18-N21 PolarHBondContact O-ND2 3.48Å; N21-Y70 PolarHBondContact N-OH 2.96Å; N21-Y70 PolarHBondContact O-OH 2.98Å
22Y98.6Very high97.6Very high108 Ų10859.7 Ų59.742%0.42434%0.337SS..  trans-150.8147.4173.759.6-84.6000110.3A26 F34 L49 P51Y22-A26 HydrophobicContact CD2-CB 3.93Å; Y22-A26 HydrophobicContact CG-CB 4.43Å; Y22-F34 HydrophobicContact CD1-CE2 4.47Å; Y22-F34 HydrophobicContact CD2-CD1 4.5Å; Y22-F34 AromaticContact CD2-CE1 3.98Å; Y22-F34 HydrophobicContact CD2-CE1 3.98Å; Y22-F34 AromaticContact CD2-CZ 3.99Å; Y22-F34 HydrophobicContact CD2-CZ 3.99Å; Y22-F34 HydrophobicContact CE1-CE2 4.23Å; Y22-F34 HydrophobicContact CE1-CZ 4.38Å; Y22-F34 AromaticContact CE2-CE1 3.98Å; Y22-F34 HydrophobicContact CE2-CE1 3.98Å; Y22-F34 HydrophobicContact CE2-CE2 4.28Å; Y22-F34 AromaticContact CE2-CZ 3.64Å; Y22-F34 HydrophobicContact CE2-CZ 3.64Å; Y22-F34 AromaticContact CZ-CZ 3.85Å; Y22-L49 HydrophobicContact CD1-CD2 4.41Å; Y22-P51 HydrophobicContact CD1-CB 4.05Å; Y22-P51 HydrophobicContact CD1-CG 3.64Å; Y22-P51 HydrophobicContact CE1-CB 3.73Å; Y22-P51 HydrophobicContact CE1-CG 3.51Å
23P98.1Very high97.7Very high24 Ų2459 Ų5916%0.15633%0.334CS..  trans-69.9157.3172.8-19.435.5000111.8I15 Q17 N25 A26I15-P23 HydrophobicContact CB-CG 4.08Å; I15-P23 HydrophobicContact CD1-CB 4.47Å; I15-P23 HydrophobicContact CD1-CG 4.07Å; I15-P23 HydrophobicContact CG2-CG 3.91Å; Q17-P23 HydrophobicContact CG-CG 4.35Å; P23-N25 WeakPolarHBondContact CB-OD1 3.45Å; P23-N25 PolarHBondContact O-N 3.45Å; P23-N25 VanDerWaalsContact O-N 3.14Å; P23-A26 VanDerWaalsContact O-CB 3.23Å; P23-A26 WeakPolarHBondContact O-CB 3.43Å; P23-A26 PolarHBondContact O-N 3.02Å
24E96.2Very high97.8Very high201 Ų20157.9 Ų57.994%0.93932%0.324SS*.THydrogen-bonded Turntrans-54.5-35.5-179.7-175.7178.9176.600113.4A26E24-A26 VanDerWaalsContact C-N 3.31Å; E24-A26 PolarHBondContact O-N 3.39Å
25N97Very high97.8Very high65 Ų6555.5 Ų55.535%0.34832%0.315SS..THydrogen-bonded Turntrans-90.919-178.664.3-27.3000114.1P23 C74 D75P23-N25 WeakPolarHBondContact CB-OD1 3.45Å; P23-N25 PolarHBondContact O-N 3.45Å; P23-N25 VanDerWaalsContact O-N 3.14Å; N25-C74 CarbonylContact O-C 3.57Å; N25-C74 VanDerWaalsContact O-CA 3.25Å; N25-C74 WeakPolarHBondContact O-CA 3.37Å; N25-D75 WeakPolarHBondContact CB-O 3.28Å; N25-D75 PolarHBondContact ND2-O 2.84Å; N25-D75 PolarHBondContact O-N 2.86Å
26A98.5Very high97.9Very high13 Ų1353 Ų5311%0.10730%0.302CS..BIsolated β-bridgetrans-60.7136.717500000112.1Y22 P23 E24 S28 F34 V72Y22-A26 HydrophobicContact CD2-CB 3.93Å; Y22-A26 HydrophobicContact CG-CB 4.43Å; P23-A26 VanDerWaalsContact O-CB 3.23Å; P23-A26 WeakPolarHBondContact O-CB 3.43Å; P23-A26 PolarHBondContact O-N 3.02Å; E24-A26 VanDerWaalsContact C-N 3.31Å; E24-A26 PolarHBondContact O-N 3.39Å; A26-S28 PolarHBondContact O-N 2.94Å; A26-F34 HydrophobicContact CB-CD1 3.57Å; A26-F34 HydrophobicContact CB-CE1 3.94Å; A26-F34 HydrophobicContact CB-CG 4.48Å; A26-V72 HydrophobicContact CB-CG1 3.52Å
27I98.2Very high97.9Very high4 Ų450.8 Ų50.82%0.02128%0.281CS..  trans-75.9111.4177.4-65-175.5000109.5L12 F34 V35 L73 D75 Y85L12-I27 HydrophobicContact CD2-CD1 3.39Å; I27-F34 WeakPolarHBondContact O-CA 3.4Å; I27-V35 HydrophobicContact CB-CG2 4.37Å; I27-V35 HydrophobicContact CG2-CG2 3.9Å; I27-V35 PolarHBondContact O-N 3.26Å; I27-L73 HydrophobicContact CD1-CD2 4Å; I27-L73 HydrophobicContact CD1-CG 4.01Å; I27-L73 PolarHBondContact N-O 2.97Å; I27-D75 HydrophobicContact CG1-CB 4.38Å; I27-Y85 HydrophobicContact CD1-CD1 4.22Å; I27-Y85 HydrophobicContact CD1-CD2 4.49Å; I27-Y85 HydrophobicContact CD1-CE1 3.71Å; I27-Y85 HydrophobicContact CD1-CE2 3.97Å; I27-Y85 HydrophobicContact CG1-CE1 4.45Å
28S98.1Very high97.9Very high53 Ų5348.7 Ų48.737%0.37127%0.272SS..EExtended strand (participates in β ladder)trans-90.9147.7169-174.90000111.8A26 G30 V33A26-S28 PolarHBondContact O-N 2.94Å; S28-G30 PolarHBondContact OG-N 2.86Å; S28-G30 VanDerWaalsContact OG-N 3.12Å; S28-V33 VanDerWaalsContact CA-O 3.25Å; S28-V33 WeakPolarHBondContact CA-O 3.08Å; S28-V33 PolarHBondContact OG-O 3.05Å
29V97.9Very high97.8Very high23 Ų2355.3 Ų55.314%0.13929%0.291CS..EExtended strand (participates in β ladder)trans-102.63.4168.5-62.20000113.6V33 V35 W87 K115 I122 V124V29-V33 HydrophobicContact CG2-CB 3.84Å; V29-V33 HydrophobicContact CG2-CG1 3.73Å; V29-V33 PolarHBondContact N-O 3.45Å; V29-V35 HydrophobicContact CG1-CG2 4.07Å; V29-W87 HydrophobicContact CG1-CH2 4.12Å; V29-W87 HydrophobicContact CG1-CZ2 3.56Å; V29-K115 HydrophobicContact CB-CD 4.26Å; V29-K115 HydrophobicContact CG1-CB 4.38Å; V29-K115 HydrophobicContact CG1-CD 3.91Å; V29-I122 HydrophobicContact CB-CG1 4.15Å; V29-I122 HydrophobicContact CG2-CG1 3.94Å; V29-I122 HydrophobicContact CG2-CG2 4.4Å; V29-V124 HydrophobicContact CB-CG2 4Å; V29-V124 HydrophobicContact CG1-CG2 3.42Å; V29-V124 VanDerWaalsContact CG1-CG2 3.42Å; V29-V124 HydrophobicContact CG2-CG2 3.4Å; V29-V124 VanDerWaalsContact CG2-CG2 3.4Å
30G95.6Very high97.8Very high30 Ų3052.9 Ų52.931%0.30928%0.276SS..EExtended strand (participates in β ladder)trans114.4165.8-172.100000112.2S28 G32 V33S28-G30 PolarHBondContact OG-N 2.86Å; S28-G30 VanDerWaalsContact OG-N 3.12Å; G30-G32 PolarHBondContact O-N 2.85Å; G30-V33 WeakPolarHBondContact O-CB 3.29Å; G30-V33 PolarHBondContact O-N 3.47Å
31D95.2Very high97.6Very high133 Ų13358.5 Ų58.571%0.71130%0.303SS*.THydrogen-bonded Turntrans51.529.6171.6-55.9-28.1000116.4V33 I122D31-V33 PolarHBondContact O-N 2.97Å; D31-I122 HydrophobicContact CB-CG2 4.23Å
32G95.8Very high97.4Very high40 Ų4061.1 Ų61.141%0.41232%0.317SS..THydrogen-bonded Turntrans71.418-177.900000113.9G30 F34 P51G30-G32 PolarHBondContact O-N 2.85Å; G32-F34 WeakPolarHBondContact O-CD2 3.5Å; G32-F34 WeakPolarHBondContact O-CE2 3.09Å; G32-P51 WeakPolarHBondContact O-CD 3.27Å
33V98.3Very high97.4Very high10 Ų1056.7 Ų56.76%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-96.4131.3176.4-178.90000110.2S28 V29 G30 D31 K48 V124S28-V33 VanDerWaalsContact CA-O 3.25Å; S28-V33 WeakPolarHBondContact CA-O 3.08Å; S28-V33 PolarHBondContact OG-O 3.05Å; V29-V33 HydrophobicContact CG2-CB 3.84Å; V29-V33 HydrophobicContact CG2-CG1 3.73Å; V29-V33 PolarHBondContact N-O 3.45Å; G30-V33 WeakPolarHBondContact O-CB 3.29Å; G30-V33 PolarHBondContact O-N 3.47Å; D31-V33 PolarHBondContact O-N 2.97Å; V33-K48 HydrophobicContact CG1-CB 3.68Å; V33-V124 HydrophobicContact CG1-CG2 4.29Å
34F98.8Very high97.4Very high20 Ų2057.1 Ų57.19%0.08830%0.301CS..EExtended strand (participates in β ladder)trans-122150.1-179.1-61.5-95.1000112.3Y22 A26 I27 G32 K48 L49 P51Y22-F34 HydrophobicContact CD1-CE2 4.47Å; Y22-F34 HydrophobicContact CD2-CD1 4.5Å; Y22-F34 AromaticContact CD2-CE1 3.98Å; Y22-F34 HydrophobicContact CD2-CE1 3.98Å; Y22-F34 AromaticContact CD2-CZ 3.99Å; Y22-F34 HydrophobicContact CD2-CZ 3.99Å; Y22-F34 HydrophobicContact CE1-CE2 4.23Å; Y22-F34 HydrophobicContact CE1-CZ 4.38Å; Y22-F34 AromaticContact CE2-CE1 3.98Å; Y22-F34 HydrophobicContact CE2-CE1 3.98Å; Y22-F34 HydrophobicContact CE2-CE2 4.28Å; Y22-F34 AromaticContact CE2-CZ 3.64Å; Y22-F34 HydrophobicContact CE2-CZ 3.64Å; Y22-F34 AromaticContact CZ-CZ 3.85Å; A26-F34 HydrophobicContact CB-CD1 3.57Å; A26-F34 HydrophobicContact CB-CE1 3.94Å; A26-F34 HydrophobicContact CB-CG 4.48Å; I27-F34 WeakPolarHBondContact O-CA 3.4Å; G32-F34 WeakPolarHBondContact O-CD2 3.5Å; G32-F34 WeakPolarHBondContact O-CE2 3.09Å; F34-K48 CarbonylContact O-C 3.45Å; F34-K48 WeakPolarHBondContact O-CA 3.47Å; F34-L49 HydrophobicContact CB-CB 4.16Å; F34-L49 HydrophobicContact CB-CD2 4.31Å; F34-L49 PolarHBondContact N-O 2.98Å; F34-L49 PolarHBondContact O-N 3.41Å; F34-P51 HydrophobicContact CD2-CG 3.79Å; F34-P51 HydrophobicContact CE2-CG 3.71Å
35V98.9Very high97.5Very high0 Ų047.6 Ų47.60%026%0.256CS..EExtended strand (participates in β ladder)trans-76.9124.2177.5-178.80000109.8W14 I27 V29 L73 W87 I113 V124W14-V35 HydrophobicContact CH2-CG1 4.31Å; I27-V35 HydrophobicContact CB-CG2 4.37Å; I27-V35 HydrophobicContact CG2-CG2 3.9Å; I27-V35 PolarHBondContact O-N 3.26Å; V29-V35 HydrophobicContact CG1-CG2 4.07Å; V35-L73 HydrophobicContact CB-CB 4.07Å; V35-L73 HydrophobicContact CB-CD2 4.45Å; V35-L73 HydrophobicContact CG1-CB 3.87Å; V35-L73 HydrophobicContact CG1-CD2 3.87Å; V35-L73 PolarHBondContact O-N 2.86Å; V35-W87 HydrophobicContact CG2-CH2 4.32Å; V35-W87 HydrophobicContact CG2-CZ2 4.14Å; V35-I113 HydrophobicContact CG1-CD1 4.17Å; V35-I113 HydrophobicContact CG1-CG1 4.48Å; V35-I113 HydrophobicContact CG1-CG2 3.73Å; V35-V124 HydrophobicContact CG1-CG1 4.3Å; V35-V124 HydrophobicContact CG2-CG1 4.14Å; V35-V124 HydrophobicContact CG2-CG2 4.12Å
36V98.9Very high97.6Very high0 Ų044.5 Ų44.50%024%0.24CC..EExtended strand (participates in β ladder)trans-136.1168.3176.3-58.50000111.6P46 G47 L49 C56 Y70 E71 V72V36-P46 WeakPolarHBondContact O-CA 3.45Å; V36-G47 PolarHBondContact N-O 2.87Å; V36-G47 PolarHBondContact O-N 3.04Å; V36-L49 HydrophobicContact CG1-CB 3.41Å; V36-L49 VanDerWaalsContact CG1-CB 3.41Å; V36-L49 HydrophobicContact CG1-CD2 4.22Å; V36-L49 HydrophobicContact CG1-CG 4.43Å; V36-L49 HydrophobicContact CG2-CB 4.29Å; V36-C56 HydrophobicContact CG2-CB 3.61Å; V36-Y70 HydrophobicContact CB-CD2 4.44Å; V36-Y70 HydrophobicContact CG1-CD2 4.02Å; V36-E71 CarbonylContact C-O 3.59Å; V36-E71 VanDerWaalsContact CA-O 3.24Å; V36-E71 WeakPolarHBondContact CA-O 3.17Å; V36-E71 WeakPolarHBondContact CB-O 3.45Å; V36-V72 HydrophobicContact CG1-CB 4.38Å; V36-V72 HydrophobicContact CG1-CG1 4.49Å; V36-V72 HydrophobicContact CG1-CG2 3.92Å
37R98.8Very high97.6Very high47 Ų4743.9 Ų43.918%0.17724%0.235CC..EExtended strand (participates in β ladder)trans-131.8152.5160.969.1-176-175-174.3-3110.3W14 I44 L45 Y70 E71 A102W14-R37 VanDerWaalsContact CD1-CZ 3.4Å; W14-R37 HydrophobicContact CD2-CG 4.11Å; W14-R37 HydrophobicContact CE3-CB 4.43Å; W14-R37 HydrophobicContact CE3-CG 3.67Å; W14-R37 HydrophobicContact CH2-CB 3.99Å; W14-R37 HydrophobicContact CH2-CG 4.03Å; W14-R37 HydrophobicContact CZ2-CG 4.44Å; W14-R37 HydrophobicContact CZ3-CB 3.88Å; W14-R37 HydrophobicContact CZ3-CG 3.63Å; R37-I44 HydrophobicContact CB-CG2 4.14Å; R37-I44 HydrophobicContact CG-CG2 4.13Å; R37-L45 CarbonylContact C-O 3.54Å; R37-L45 WeakPolarHBondContact CA-O 3.34Å; R37-L45 WeakPolarHBondContact CB-O 3.44Å; R37-Y70 WeakPolarHBondContact O-CA 3.47Å; R37-Y70 WeakPolarHBondContact O-CB 3.33Å; R37-E71 HydrophobicContact CG-CB 4.04Å; R37-E71 IonicContact CZ-OE1 3.85Å; R37-E71 IonicContact CZ-OE2 3.78Å; R37-E71 VanDerWaalsContact CZ-OE2 3.27Å; R37-E71 PolarHBondContact N-O 3.45Å; R37-E71 IonicContact NE-OE1 2.66Å; R37-E71 IonicContact NE-OE2 2.74Å; R37-E71 PolarHBondContact NE-OE2 2.86Å; R37-E71 VanDerWaalsContact NH2-CD 3.32Å; R37-E71 IonicContact NH2-OE1 2.88Å; R37-E71 PolarHBondContact NH2-OE1 3.01Å; R37-E71 IonicContact NH2-OE2 3.07Å; R37-E71 PolarHBondContact NH2-OE2 3.17Å; R37-E71 PolarHBondContact O-N 3.18Å; R37-A102 WeakPolarHBondContact CD-O 3.31Å; R37-A102 PolarHBondContact NH1-O 2.91Å
38S98.7Very high97.6Very high10 Ų1044.1 Ų44.17%0.0724%0.236CC..EExtended strand (participates in β ladder)trans-142.5156.4174.3-170.70000111.7I44 L45 L67 E69S38-I44 CarbonylContact O-C 3.58Å; S38-L45 PolarHBondContact N-O 2.8Å; S38-L45 PolarHBondContact O-N 2.63Å; S38-L67 WeakPolarHBondContact OG-CD1 3.31Å; S38-E69 WeakPolarHBondContact CB-O 3.37Å; S38-E69 PolarHBondContact OG-O 2.99Å
39R98.2Very high97.7Very high179 Ų17941.6 Ų41.668%0.67522%0.218SC*.EExtended strand (participates in β ladder)trans-82.2130.9175.2-68.1-179.2-175.1-81.8-1.9108.7E43 I44R39-E43 WeakPolarHBondContact CA-O 3.16Å; R39-I44 HydrophobicContact CG-CG1 4.34Å
40F98Very high97.7Very high50 Ų5041.8 Ų41.822%0.21922%0.219CC..EExtended strand (participates in β ladder)trans-142.2120.4173.3-175.8-108.1000108.7N42 E43 L45 H60 I65 L67F40-N42 PolarHBondContact O-N 3.48Å; F40-N42 VanDerWaalsContact O-N 3.1Å; F40-E43 PolarHBondContact N-O 2.95Å; F40-E43 VanDerWaalsContact N-O 3.09Å; F40-E43 PolarHBondContact O-N 3.44Å; F40-L45 HydrophobicContact CB-CD1 3.66Å; F40-L45 HydrophobicContact CB-CG 4.31Å; F40-L45 HydrophobicContact CD1-CD1 4.01Å; F40-L45 HydrophobicContact CG-CD1 4.15Å; F40-H60 HydrophobicContact CD1-CB 4.26Å; F40-H60 AromaticContact CD1-CD2 3.82Å; F40-H60 AromaticContact CD1-CG 3.87Å; F40-H60 HydrophobicContact CE1-CB 4.2Å; F40-H60 AromaticContact CE1-CD2 3.94Å; F40-H60 AromaticContact CE1-CE1 3.82Å; F40-H60 AromaticContact CE1-CG 3.68Å; F40-H60 AromaticContact CE1-ND1 3.6Å; F40-I65 HydrophobicContact CD2-CG2 3.71Å; F40-I65 HydrophobicContact CE1-CD1 4.4Å; F40-I65 HydrophobicContact CE1-CG1 4.21Å; F40-I65 HydrophobicContact CE2-CG2 3.54Å; F40-I65 HydrophobicContact CG-CG2 4.33Å; F40-I65 HydrophobicContact CZ-CD1 4.1Å; F40-I65 HydrophobicContact CZ-CG1 4.18Å; F40-I65 HydrophobicContact CZ-CG2 4.02Å; F40-L67 HydrophobicContact CD2-CD2 4.34Å
41I93.7Very high97.8Very high125 Ų12541.9 Ų41.964%0.64122%0.215SC*.THydrogen-bonded Turntrans55.3-114.1-172.7-48.3173.9000109.8
42N93.6Very high97.9Very high149 Ų14945.8 Ų45.880%0.79723%0.225SC*.THydrogen-bonded Turntrans-109.415.6179.6-67.2-31.2000111.9F40F40-N42 PolarHBondContact O-N 3.48Å; F40-N42 VanDerWaalsContact O-N 3.1Å
43E98.2Very high98Very high15 Ų1549 Ų497%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-113.1159.6-176.6-55.5-166.7-177.500111.4R39 F40 L45 H60 F104 S106R39-E43 WeakPolarHBondContact CA-O 3.16Å; F40-E43 PolarHBondContact N-O 2.95Å; F40-E43 VanDerWaalsContact N-O 3.09Å; F40-E43 PolarHBondContact O-N 3.44Å; E43-L45 HydrophobicContact CB-CD2 3.95Å; E43-L45 HydrophobicContact CB-CG 4.2Å; E43-L45 WeakPolarHBondContact OE2-CD2 3.25Å; E43-H60 IonicContact OE2-CD2 2.72Å; E43-F104 WeakPolarHBondContact CA-O 2.77Å; E43-F104 WeakPolarHBondContact CB-O 3.3Å; E43-S106 VanDerWaalsContact CD-N 3.28Å; E43-S106 WeakPolarHBondContact OE1-CB 3.38Å; E43-S106 PolarHBondContact OE1-N 3.47Å; E43-S106 PolarHBondContact OE1-OG 3.49Å
44I98.5Very high97.9Very high33 Ų3349.5 Ų49.517%0.16924%0.236CC..EExtended strand (participates in β ladder)trans-118.1105.2166.2-61.2175.3000106.6R37 S38 R39 A102 G103 F104R37-I44 HydrophobicContact CB-CG2 4.14Å; R37-I44 HydrophobicContact CG-CG2 4.13Å; S38-I44 CarbonylContact O-C 3.58Å; R39-I44 HydrophobicContact CG-CG1 4.34Å; I44-A102 WeakPolarHBondContact CG2-O 3.36Å; I44-G103 WeakPolarHBondContact O-CA 3.21Å; I44-F104 PolarHBondContact N-O 2.94Å
45L98.7Very high97.9Very high0 Ų051.6 Ų51.60%025%0.245CC..EExtended strand (participates in β ladder)trans-98.3126.8-170.3-61.2178.9000110.7R37 S38 F40 E43 C58 H60 L111 K126R37-L45 CarbonylContact C-O 3.54Å; R37-L45 WeakPolarHBondContact CA-O 3.34Å; R37-L45 WeakPolarHBondContact CB-O 3.44Å; S38-L45 PolarHBondContact N-O 2.8Å; S38-L45 PolarHBondContact O-N 2.63Å; F40-L45 HydrophobicContact CB-CD1 3.66Å; F40-L45 HydrophobicContact CB-CG 4.31Å; F40-L45 HydrophobicContact CD1-CD1 4.01Å; F40-L45 HydrophobicContact CG-CD1 4.15Å; E43-L45 HydrophobicContact CB-CD2 3.95Å; E43-L45 HydrophobicContact CB-CG 4.2Å; E43-L45 WeakPolarHBondContact OE2-CD2 3.25Å; L45-C58 HydrophobicContact CB-CB 3.71Å; L45-C58 HydrophobicContact CD1-CB 3.85Å; L45-C58 HydrophobicContact CG-CB 4.46Å; L45-H60 HydrophobicContact CD1-CB 3.99Å; L45-L111 HydrophobicContact CD2-CD1 3.76Å; L45-K126 HydrophobicContact CD2-CD 4.25Å
46P98.8Very high97.9Very high0 Ų051.6 Ų51.60%025%0.245CC..EExtended strand (participates in β ladder)trans-74.4149.816427.2-25.7000110.9V36 A102 L111 I113 K126V36-P46 WeakPolarHBondContact O-CA 3.45Å; P46-A102 HydrophobicContact CB-CB 3.67Å; P46-A102 HydrophobicContact CG-CB 3.94Å; P46-L111 HydrophobicContact CG-CB 4.21Å; P46-I113 HydrophobicContact CB-CG1 4.44Å; P46-K126 HydrophobicContact CG-CB 3.53Å
47G98.8Very high97.9Very high0 Ų052.2 Ų52.20%025%0.248CC..EExtended strand (participates in β ladder)trans-166.8-161.7-176.700000112.8V36 Y57 V124V36-G47 PolarHBondContact N-O 2.87Å; V36-G47 PolarHBondContact O-N 3.04Å; G47-Y57 CarbonylContact C-O 3.29Å; G47-Y57 WeakPolarHBondContact CA-O 3.43Å; G47-V124 CarbonylContact C-O 3.13Å; G47-V124 WeakPolarHBondContact O-CG1 3.4Å
48K98.7Very high97.9Very high9 Ų950 Ų504%0.03924%0.239CC..EExtended strand (participates in β ladder)trans-112.4139.3-179.370.8-179.9-173.6-157.20111V33 F34 V50 C56 Y57 E64 V124 P137V33-K48 HydrophobicContact CG1-CB 3.68Å; F34-K48 CarbonylContact O-C 3.45Å; F34-K48 WeakPolarHBondContact O-CA 3.47Å; K48-V50 HydrophobicContact CD-CG2 4.36Å; K48-V50 HydrophobicContact CG-CG2 4.45Å; K48-C56 CarbonylContact O-C 3.49Å; K48-C56 WeakPolarHBondContact O-CA 3.39Å; K48-C56 VanDerWaalsContact O-CB 3.28Å; K48-C56 WeakPolarHBondContact O-CB 3.2Å; K48-Y57 HydrophobicContact CG-CD2 4.32Å; K48-Y57 HydrophobicContact CG-CG 4.49Å; K48-Y57 PolarHBondContact N-O 2.88Å; K48-Y57 PolarHBondContact O-N 3.32Å; K48-E64 VanDerWaalsContact CE-OE1 3.23Å; K48-E64 WeakPolarHBondContact CE-OE1 3.37Å; K48-E64 IonicContact NZ-OE1 3.89Å; K48-E64 PolarHBondContact NZ-OE1 2.86Å; K48-V124 HydrophobicContact CB-CB 4.39Å; K48-P137 HydrophobicContact CD-CG 4.41Å; K48-P137 VanDerWaalsContact CE-O 3.31Å; K48-P137 WeakPolarHBondContact CE-O 3.46Å; K48-P137 HydrophobicContact CG-CG 4.21Å; K48-P137 PolarHBondContact NZ-O 2.74Å
49L98.8Very high97.9Very high0 Ų049.5 Ų49.50%024%0.236CC..EExtended strand (participates in β ladder)trans-97.6134.5163162.764.5000109.5Y22 F34 V36 P51 K55 C56 Y70 V72Y22-L49 HydrophobicContact CD1-CD2 4.41Å; F34-L49 HydrophobicContact CB-CB 4.16Å; F34-L49 HydrophobicContact CB-CD2 4.31Å; F34-L49 PolarHBondContact N-O 2.98Å; F34-L49 PolarHBondContact O-N 3.41Å; V36-L49 HydrophobicContact CG1-CB 3.41Å; V36-L49 VanDerWaalsContact CG1-CB 3.41Å; V36-L49 HydrophobicContact CG1-CD2 4.22Å; V36-L49 HydrophobicContact CG1-CG 4.43Å; V36-L49 HydrophobicContact CG2-CB 4.29Å; L49-P51 HydrophobicContact CD1-CG 4.46Å; L49-P51 HydrophobicContact CD2-CG 4.29Å; L49-P51 HydrophobicContact CG-CG 4.01Å; L49-K55 VanDerWaalsContact CD1-O 3.28Å; L49-K55 WeakPolarHBondContact CD1-O 3.19Å; L49-C56 HydrophobicContact CB-CB 4.38Å; L49-Y70 HydrophobicContact CD1-CE1 4.08Å; L49-Y70 HydrophobicContact CD1-CE2 4.05Å; L49-Y70 WeakPolarHBondContact CD1-OH 3.22Å; L49-Y70 HydrophobicContact CD2-CE2 3.81Å; L49-Y70 HydrophobicContact CG-CE2 4.43Å; L49-V72 HydrophobicContact CD2-CG2 4.1Å
50V98.1Very high97.8Very high28 Ų2843.2 Ų43.217%0.1721%0.214CC..EExtended strand (participates in β ladder)trans-118.592.2171.3-174.60000107.9K48 K52 Q53 G54 K55 Y57K48-V50 HydrophobicContact CD-CG2 4.36Å; K48-V50 HydrophobicContact CG-CG2 4.45Å; V50-K52 VanDerWaalsContact C-N 3.26Å; V50-K52 PolarHBondContact O-N 3.23Å; V50-K52 VanDerWaalsContact O-N 3.17Å; V50-Q53 HydrophobicContact CB-CB 4.31Å; V50-Q53 HydrophobicContact CB-CG 4.46Å; V50-Q53 HydrophobicContact CG1-CB 4.16Å; V50-Q53 HydrophobicContact CG1-CG 3.87Å; V50-Q53 PolarHBondContact O-N 2.84Å; V50-G54 PolarHBondContact O-N 3.45Å; V50-K55 PolarHBondContact N-O 3.01Å; V50-Y57 HydrophobicContact CB-CE2 4.23Å; V50-Y57 HydrophobicContact CG2-CD2 4.07Å; V50-Y57 HydrophobicContact CG2-CE2 4.1Å
51P98Very high97.7Very high32 Ų3243.9 Ų43.921%0.20824%0.235CC..G310 helixtrans-56.3-38-172-29.437.7000113.7G20 Y22 G32 F34 L49 Q53 G54G20-P51 WeakPolarHBondContact O-CB 3.49Å; Y22-P51 HydrophobicContact CD1-CB 4.05Å; Y22-P51 HydrophobicContact CD1-CG 3.64Å; Y22-P51 HydrophobicContact CE1-CB 3.73Å; Y22-P51 HydrophobicContact CE1-CG 3.51Å; G32-P51 WeakPolarHBondContact O-CD 3.27Å; F34-P51 HydrophobicContact CD2-CG 3.79Å; F34-P51 HydrophobicContact CE2-CG 3.71Å; L49-P51 HydrophobicContact CD1-CG 4.46Å; L49-P51 HydrophobicContact CD2-CG 4.29Å; L49-P51 HydrophobicContact CG-CG 4.01Å; P51-Q53 PolarHBondContact O-N 2.85Å; P51-Q53 VanDerWaalsContact O-N 3.13Å; P51-G54 PolarHBondContact O-N 3.08Å
52K97.1Very high97.9Very high214 Ų21439.6 Ų39.693%0.9322%0.222SC*.G310 helixtrans-60.4-22.6178-67.5-177.4179.5175.80113.7V50V50-K52 VanDerWaalsContact C-N 3.26Å; V50-K52 PolarHBondContact O-N 3.23Å; V50-K52 VanDerWaalsContact O-N 3.17Å
53Q97.5Very high98.2Very high109 Ų10937 Ų3751%0.50921%0.208SC..G310 helixtrans-99.5-4.9177.4-67.4174.7-11.600112.4V50 P51 K55 Y57V50-Q53 HydrophobicContact CB-CB 4.31Å; V50-Q53 HydrophobicContact CB-CG 4.46Å; V50-Q53 HydrophobicContact CG1-CB 4.16Å; V50-Q53 HydrophobicContact CG1-CG 3.87Å; V50-Q53 PolarHBondContact O-N 2.84Å; P51-Q53 PolarHBondContact O-N 2.85Å; P51-Q53 VanDerWaalsContact O-N 3.13Å; Q53-K55 WeakPolarHBondContact O-CG 3.03Å; Q53-K55 PolarHBondContact O-N 3.22Å; Q53-Y57 VanDerWaalsContact OE1-CZ 3.23Å; Q53-Y57 PolarHBondContact OE1-OH 2.96Å
54G97.7Very high98.2Very high19 Ų1937.5 Ų37.520%0.19621%0.211CC..THydrogen-bonded Turntrans69.412.8-178.900000114.5N19 G20 V50 P51N19-G54 CarbonylContact C-O 3.59Å; N19-G54 VanDerWaalsContact C-O 3.29Å; N19-G54 VanDerWaalsContact CA-O 3.27Å; N19-G54 WeakPolarHBondContact CA-O 3.35Å; G20-G54 PolarHBondContact N-O 2.8Å; V50-G54 PolarHBondContact O-N 3.45Å; P51-G54 PolarHBondContact O-N 3.08Å
55K98.3Very high98.2Very high65 Ų6537.3 Ų37.328%0.28321%0.209SC..EExtended strand (participates in β ladder)trans-135.9155-167-68.8173-178.3-175.80112.3L49 V50 Q53 Y57 E66 L67 T68L49-K55 VanDerWaalsContact CD1-O 3.28Å; L49-K55 WeakPolarHBondContact CD1-O 3.19Å; V50-K55 PolarHBondContact N-O 3.01Å; Q53-K55 WeakPolarHBondContact O-CG 3.03Å; Q53-K55 PolarHBondContact O-N 3.22Å; K55-Y57 HydrophobicContact CB-CE2 3.87Å; K55-E66 HydrophobicContact CD-CB 4.4Å; K55-E66 IonicContact NZ-OE1 2.7Å; K55-E66 IonicContact NZ-OE2 3.27Å; K55-E66 PolarHBondContact NZ-OE2 3.24Å; K55-L67 WeakPolarHBondContact CA-O 3.41Å; K55-T68 HydrophobicContact CG-CG2 4.25Å
56C98.6Very high98.2Very high0 Ų042.1 Ų42.10%023%0.232CC..EExtended strand (participates in β ladder)trans-107.2162.6158.379.10000111.9V36 K48 L49 L67 Y70V36-C56 HydrophobicContact CG2-CB 3.61Å; K48-C56 CarbonylContact O-C 3.49Å; K48-C56 WeakPolarHBondContact O-CA 3.39Å; K48-C56 VanDerWaalsContact O-CB 3.28Å; K48-C56 WeakPolarHBondContact O-CB 3.2Å; L49-C56 HydrophobicContact CB-CB 4.38Å; C56-L67 PolarHBondContact N-O 3.12Å; C56-L67 PolarHBondContact O-N 2.67Å; C56-Y70 HydrophobicContact CB-CD1 3.63Å; C56-Y70 HydrophobicContact CB-CE1 4.04Å; C56-Y70 HydrophobicContact CB-CG 4.07Å; C56-Y70 WeakPolarHBondContact SG-CD1 3.25Å
57Y98.8Very high98.2Very high13 Ų1343.6 Ų43.65%0.05124%0.24CC..EExtended strand (participates in β ladder)trans-135.2127.4-172.8-63.2-89.5000109.1G47 K48 V50 Q53 K55 E64 I65 E66 P137G47-Y57 CarbonylContact C-O 3.29Å; G47-Y57 WeakPolarHBondContact CA-O 3.43Å; K48-Y57 HydrophobicContact CG-CD2 4.32Å; K48-Y57 HydrophobicContact CG-CG 4.49Å; K48-Y57 PolarHBondContact N-O 2.88Å; K48-Y57 PolarHBondContact O-N 3.32Å; V50-Y57 HydrophobicContact CB-CE2 4.23Å; V50-Y57 HydrophobicContact CG2-CD2 4.07Å; V50-Y57 HydrophobicContact CG2-CE2 4.1Å; Q53-Y57 VanDerWaalsContact OE1-CZ 3.23Å; Q53-Y57 PolarHBondContact OE1-OH 2.96Å; K55-Y57 HydrophobicContact CB-CE2 3.87Å; Y57-E64 VanDerWaalsContact CD1-CD 3.49Å; Y57-E64 HydrophobicContact CD1-CG 3.52Å; Y57-E64 WeakPolarHBondContact CD1-OE1 3.38Å; Y57-E64 HydrophobicContact CE1-CG 4.43Å; Y57-E64 HydrophobicContact CG-CG 4.19Å; Y57-I65 VanDerWaalsContact CA-O 3.26Å; Y57-I65 WeakPolarHBondContact CA-O 3.43Å; Y57-E66 HydrophobicContact CD1-CB 4.49Å; Y57-E66 HydrophobicContact CD1-CG 3.96Å; Y57-E66 HydrophobicContact CE1-CB 4.27Å; Y57-E66 HydrophobicContact CE1-CG 3.57Å; Y57-E66 WeakPolarHBondContact CE1-OE1 3.45Å; Y57-E66 PolarHBondContact OH-OE1 3.21Å; Y57-P137 VanDerWaalsContact O-CG 3.31Å; Y57-P137 WeakPolarHBondContact O-CG 3.48Å
58C98.7Very high98.1Very high0 Ų046.7 Ų46.70%026%0.259CS..EExtended strand (participates in β ladder)trans-127.2144.5179.6-650000110.1L45 I65 L67L45-C58 HydrophobicContact CB-CB 3.71Å; L45-C58 HydrophobicContact CD1-CB 3.85Å; L45-C58 HydrophobicContact CG-CB 4.46Å; C58-I65 PolarHBondContact N-O 3.42Å; C58-I65 WeakPolarHBondContact O-CB 3.37Å; C58-I65 PolarHBondContact O-N 3.04Å; C58-L67 HydrophobicContact CB-CD1 4.48Å
59S98.5Very high98.1Very high0 Ų053.3 Ų53.30%029%0.29CS..EExtended strand (participates in β ladder)trans-81.7132.6176.9-43.10000110.7K126 Y135 M136 P137 E142S59-K126 VanDerWaalsContact O-CE 3.22Å; S59-K126 WeakPolarHBondContact O-CE 3.38Å; S59-K126 PolarHBondContact O-NZ 2.88Å; S59-Y135 VanDerWaalsContact OG-C 3.31Å; S59-Y135 PolarHBondContact OG-O 3.14Å; S59-M136 VanDerWaalsContact OG-C 3.27Å; S59-P137 WeakPolarHBondContact OG-CD 3.5Å; S59-E142 WeakPolarHBondContact CB-OE2 3.25Å
60H98Very high98.1Very high46 Ų4653.9 Ų53.921%0.21329%0.292CS..EExtended strand (participates in β ladder)trans-157.3125.6171.8177.6-79.4000111.7F40 E43 L45 G62 D63 I65F40-H60 HydrophobicContact CD1-CB 4.26Å; F40-H60 AromaticContact CD1-CD2 3.82Å; F40-H60 AromaticContact CD1-CG 3.87Å; F40-H60 HydrophobicContact CE1-CB 4.2Å; F40-H60 AromaticContact CE1-CD2 3.94Å; F40-H60 AromaticContact CE1-CE1 3.82Å; F40-H60 AromaticContact CE1-CG 3.68Å; F40-H60 AromaticContact CE1-ND1 3.6Å; E43-H60 IonicContact OE2-CD2 2.72Å; L45-H60 HydrophobicContact CD1-CB 3.99Å; H60-G62 VanDerWaalsContact C-N 3.31Å; H60-G62 PolarHBondContact O-N 3.31Å; H60-D63 PolarHBondContact N-O 2.84Å; H60-D63 PolarHBondContact O-N 2.9Å; H60-D63 VanDerWaalsContact O-N 3.08Å; H60-I65 HydrophobicContact CB-CD1 4.38Å; H60-I65 HydrophobicContact CB-CG1 3.75Å
61G95.7Very high98.2Very high64 Ų6454.6 Ų54.666%0.6629%0.293SS*.THydrogen-bonded Turntrans6528.916800000114.7
62G97.7Very high98.2Very high36 Ų3653 Ų5337%0.37128%0.284SS..THydrogen-bonded Turntrans93.8-11.6-174.200000114.7H60 E142H60-G62 VanDerWaalsContact C-N 3.31Å; H60-G62 PolarHBondContact O-N 3.31Å; G62-E142 VanDerWaalsContact C-CB 3.41Å; G62-E142 PolarHBondContact N-OE1 3.08Å; G62-E142 PolarHBondContact O-N 2.97Å
63D98.5Very high98.3Very high93 Ų9342.9 Ų42.950%0.49724%0.239SC..EExtended strand (participates in β ladder)trans-112.6156.2-173.6-62.5-48.3000113.2H60 I65H60-D63 PolarHBondContact N-O 2.84Å; H60-D63 PolarHBondContact O-N 2.9Å; H60-D63 VanDerWaalsContact O-N 3.08Å; D63-I65 HydrophobicContact CB-CD1 4.04Å
64E98.6Very high98.3Very high27 Ų2737.7 Ų37.713%0.12622%0.215CC..EExtended strand (participates in β ladder)trans-89.8112.3164.6168.5171-121.600109K48 Y57 P137 W138 G139 G140K48-E64 VanDerWaalsContact CE-OE1 3.23Å; K48-E64 WeakPolarHBondContact CE-OE1 3.37Å; K48-E64 IonicContact NZ-OE1 3.89Å; K48-E64 PolarHBondContact NZ-OE1 2.86Å; Y57-E64 VanDerWaalsContact CD1-CD 3.49Å; Y57-E64 HydrophobicContact CD1-CG 3.52Å; Y57-E64 WeakPolarHBondContact CD1-OE1 3.38Å; Y57-E64 HydrophobicContact CE1-CG 4.43Å; Y57-E64 HydrophobicContact CG-CG 4.19Å; E64-P137 HydrophobicContact CB-CB 4.12Å; E64-P137 HydrophobicContact CG-CB 3.8Å; E64-P137 VanDerWaalsContact OE1-O 3.04Å; E64-W138 WeakPolarHBondContact OE1-CA 3.09Å; E64-W138 PolarHBondContact OE1-N 2.88Å; E64-G139 PolarHBondContact OE2-N 3.43Å; E64-G140 PolarHBondContact N-O 2.99Å; E64-G140 WeakPolarHBondContact OE2-CA 3.5Å; E64-G140 PolarHBondContact OE2-N 2.97Å
65I98.4Very high98.3Very high28 Ų2838.5 Ų38.514%0.14422%0.215CC..EExtended strand (participates in β ladder)trans-90.5124.1-178.4-51.5-54.1000110F40 Y57 C58 H60 D63 L67F40-I65 HydrophobicContact CD2-CG2 3.71Å; F40-I65 HydrophobicContact CE1-CD1 4.4Å; F40-I65 HydrophobicContact CE1-CG1 4.21Å; F40-I65 HydrophobicContact CE2-CG2 3.54Å; F40-I65 HydrophobicContact CG-CG2 4.33Å; F40-I65 HydrophobicContact CZ-CD1 4.1Å; F40-I65 HydrophobicContact CZ-CG1 4.18Å; F40-I65 HydrophobicContact CZ-CG2 4.02Å; Y57-I65 VanDerWaalsContact CA-O 3.26Å; Y57-I65 WeakPolarHBondContact CA-O 3.43Å; C58-I65 PolarHBondContact N-O 3.42Å; C58-I65 WeakPolarHBondContact O-CB 3.37Å; C58-I65 PolarHBondContact O-N 3.04Å; H60-I65 HydrophobicContact CB-CD1 4.38Å; H60-I65 HydrophobicContact CB-CG1 3.75Å; D63-I65 HydrophobicContact CB-CD1 4.04Å; I65-L67 HydrophobicContact CG2-CD1 4.28Å; I65-L67 HydrophobicContact CG2-CD2 4.27Å; I65-L67 HydrophobicContact CG2-CG 4.09Å
66E98.4Very high98.1Very high102 Ų10237.8 Ų37.848%0.47722%0.216SC..EExtended strand (participates in β ladder)trans-88.2130.9175.7-49-161.5144.300112K55 Y57K55-E66 HydrophobicContact CD-CB 4.4Å; K55-E66 IonicContact NZ-OE1 2.7Å; K55-E66 IonicContact NZ-OE2 3.27Å; K55-E66 PolarHBondContact NZ-OE2 3.24Å; Y57-E66 HydrophobicContact CD1-CB 4.49Å; Y57-E66 HydrophobicContact CD1-CG 3.96Å; Y57-E66 HydrophobicContact CE1-CB 4.27Å; Y57-E66 HydrophobicContact CE1-CG 3.57Å; Y57-E66 WeakPolarHBondContact CE1-OE1 3.45Å; Y57-E66 PolarHBondContact OH-OE1 3.21Å
67L98.5Very high97.8Very high31 Ų3139 Ų3916%0.16222%0.224CC..EExtended strand (participates in β ladder)trans-139150.2-178.1-62.5161.1000110.2S38 F40 K55 C56 C58 I65S38-L67 WeakPolarHBondContact OG-CD1 3.31Å; F40-L67 HydrophobicContact CD2-CD2 4.34Å; K55-L67 WeakPolarHBondContact CA-O 3.41Å; C56-L67 PolarHBondContact N-O 3.12Å; C56-L67 PolarHBondContact O-N 2.67Å; C58-L67 HydrophobicContact CB-CD1 4.48Å; I65-L67 HydrophobicContact CG2-CD1 4.28Å; I65-L67 HydrophobicContact CG2-CD2 4.27Å; I65-L67 HydrophobicContact CG2-CG 4.09Å
68T98.3Very high97.4Very high65 Ų6543.2 Ų43.240%0.39925%0.247SC..SBendtrans-111.6-13.3179.750.30000113.6S18 N19 K55 Y70S18-T68 CarbonylContact C-O 3.55Å; S18-T68 WeakPolarHBondContact CA-O 3.13Å; S18-T68 WeakPolarHBondContact CB-O 3.42Å; N19-T68 PolarHBondContact N-O 3.32Å; K55-T68 HydrophobicContact CG-CG2 4.25Å; T68-Y70 WeakPolarHBondContact O-CE1 3.39Å
69E98.6Very high96.9Very high148 Ų14847.8 Ų47.869%0.69228%0.279SS*.EExtended strand (participates in β ladder)trans-113.2131.7175.2-65.3-177.9-176.700109.8S38S38-E69 WeakPolarHBondContact CB-O 3.37Å; S38-E69 PolarHBondContact OG-O 2.99Å
70Y98.8Very high96.4Very high11 Ų1155.3 Ų55.34%0.04332%0.315CS..EExtended strand (participates in β ladder)trans-162.4168.3-174.744.2-96.9000111.5Q17 G20 N21 V36 R37 L49 C56 T68 V72Q17-Y70 HydrophobicContact CB-CD2 4.02Å; Q17-Y70 HydrophobicContact CB-CE2 3.61Å; Q17-Y70 PolarHBondContact N-O 3.34Å; Q17-Y70 PolarHBondContact O-N 3.15Å; Q17-Y70 VanDerWaalsContact O-N 3.13Å; G20-Y70 WeakPolarHBondContact CA-OH 3.38Å; G20-Y70 PolarHBondContact N-OH 2.91Å; N21-Y70 PolarHBondContact N-OH 2.96Å; N21-Y70 PolarHBondContact O-OH 2.98Å; V36-Y70 HydrophobicContact CB-CD2 4.44Å; V36-Y70 HydrophobicContact CG1-CD2 4.02Å; R37-Y70 WeakPolarHBondContact O-CA 3.47Å; R37-Y70 WeakPolarHBondContact O-CB 3.33Å; L49-Y70 HydrophobicContact CD1-CE1 4.08Å; L49-Y70 HydrophobicContact CD1-CE2 4.05Å; L49-Y70 WeakPolarHBondContact CD1-OH 3.22Å; L49-Y70 HydrophobicContact CD2-CE2 3.81Å; L49-Y70 HydrophobicContact CG-CE2 4.43Å; C56-Y70 HydrophobicContact CB-CD1 3.63Å; C56-Y70 HydrophobicContact CB-CE1 4.04Å; C56-Y70 HydrophobicContact CB-CG 4.07Å; C56-Y70 WeakPolarHBondContact SG-CD1 3.25Å; T68-Y70 WeakPolarHBondContact O-CE1 3.39Å; Y70-V72 HydrophobicContact CD2-CG2 3.78Å; Y70-V72 HydrophobicContact CE2-CG2 3.74Å
71E98.9Very high95.9Very high43 Ų4355.1 Ų55.120%0.20132%0.315CS..EExtended strand (participates in β ladder)trans-108.7129.9166.7-62.8166.996.700109W14 I15 P16 V36 R37W14-E71 HydrophobicContact CB-CB 4.05Å; W14-E71 HydrophobicContact CE3-CB 4.06Å; I15-E71 CarbonylContact O-C 3.53Å; I15-E71 WeakPolarHBondContact O-CA 3.49Å; P16-E71 HydrophobicContact CG-CG 4.35Å; V36-E71 CarbonylContact C-O 3.59Å; V36-E71 VanDerWaalsContact CA-O 3.24Å; V36-E71 WeakPolarHBondContact CA-O 3.17Å; V36-E71 WeakPolarHBondContact CB-O 3.45Å; R37-E71 HydrophobicContact CG-CB 4.04Å; R37-E71 IonicContact CZ-OE1 3.85Å; R37-E71 IonicContact CZ-OE2 3.78Å; R37-E71 VanDerWaalsContact CZ-OE2 3.27Å; R37-E71 PolarHBondContact N-O 3.45Å; R37-E71 IonicContact NE-OE1 2.66Å; R37-E71 IonicContact NE-OE2 2.74Å; R37-E71 PolarHBondContact NE-OE2 2.86Å; R37-E71 VanDerWaalsContact NH2-CD 3.32Å; R37-E71 IonicContact NH2-OE1 2.88Å; R37-E71 PolarHBondContact NH2-OE1 3.01Å; R37-E71 IonicContact NH2-OE2 3.07Å; R37-E71 PolarHBondContact NH2-OE2 3.17Å; R37-E71 PolarHBondContact O-N 3.18Å
72V98.9Very high95.5Very high0 Ų053.3 Ų53.30%030%0.296CS..EExtended strand (participates in β ladder)trans-90.4132.3177.1-176.40000109.6I15 Q17 A26 V36 L49 Y70 C74I15-V72 PolarHBondContact N-O 3.44Å; I15-V72 PolarHBondContact O-N 3.09Å; Q17-V72 HydrophobicContact CB-CG2 3.89Å; Q17-V72 HydrophobicContact CG-CB 4.4Å; Q17-V72 HydrophobicContact CG-CG2 3.71Å; A26-V72 HydrophobicContact CB-CG1 3.52Å; V36-V72 HydrophobicContact CG1-CB 4.38Å; V36-V72 HydrophobicContact CG1-CG1 4.49Å; V36-V72 HydrophobicContact CG1-CG2 3.92Å; L49-V72 HydrophobicContact CD2-CG2 4.1Å; Y70-V72 HydrophobicContact CD2-CG2 3.78Å; Y70-V72 HydrophobicContact CE2-CG2 3.74Å; V72-C74 PolarHBondContact O-N 2.79Å; V72-C74 PolarHBondContact O-SG 3.06Å
73L98.8Very high95.1Very high1 Ų157.9 Ų57.91%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-77.3120.9173.4-171.663.3000109.5L12 W14 I27 V35 I113 L151L12-L73 HydrophobicContact CB-CD1 4.03Å; L12-L73 HydrophobicContact CD2-CD1 4.37Å; L12-L73 HydrophobicContact CD2-CG 4.31Å; W14-L73 HydrophobicContact CD2-CB 4.46Å; W14-L73 HydrophobicContact CD2-CD1 3.87Å; W14-L73 HydrophobicContact CE3-CB 3.91Å; W14-L73 HydrophobicContact CE3-CD1 4.19Å; W14-L73 HydrophobicContact CG-CD1 4.4Å; W14-L73 HydrophobicContact CH2-CB 3.86Å; W14-L73 HydrophobicContact CH2-CD1 4.22Å; W14-L73 HydrophobicContact CH2-CD2 4.36Å; W14-L73 HydrophobicContact CH2-CG 4.37Å; W14-L73 HydrophobicContact CZ2-CB 4.4Å; W14-L73 HydrophobicContact CZ2-CD1 3.88Å; W14-L73 HydrophobicContact CZ2-CD2 4.42Å; W14-L73 HydrophobicContact CZ2-CG 4.47Å; W14-L73 HydrophobicContact CZ3-CB 3.58Å; W14-L73 HydrophobicContact CZ3-CD1 4.35Å; W14-L73 HydrophobicContact CZ3-CG 4.46Å; I27-L73 HydrophobicContact CD1-CD2 4Å; I27-L73 HydrophobicContact CD1-CG 4.01Å; I27-L73 PolarHBondContact N-O 2.97Å; V35-L73 HydrophobicContact CB-CB 4.07Å; V35-L73 HydrophobicContact CB-CD2 4.45Å; V35-L73 HydrophobicContact CG1-CB 3.87Å; V35-L73 HydrophobicContact CG1-CD2 3.87Å; V35-L73 PolarHBondContact O-N 2.86Å; L73-I113 HydrophobicContact CD2-CD1 3.72Å; L73-L151 HydrophobicContact CD2-CD2 3.43Å; L73-L151 VanDerWaalsContact CD2-CD2 3.43Å
74C98.3Very high94.8Very high0 Ų053.5 Ų53.50%028%0.283CS..EExtended strand (participates in β ladder)trans-117.2141.3-177.1-58.80000111.2L12 S13 I15 N25 V72 T76L12-C74 WeakPolarHBondContact CA-O 3.44Å; S13-C74 PolarHBondContact N-O 2.94Å; S13-C74 VanDerWaalsContact N-O 3.09Å; S13-C74 PolarHBondContact O-N 3.37Å; I15-C74 HydrophobicContact CD1-CB 3.95Å; I15-C74 HydrophobicContact CG1-CB 4.34Å; N25-C74 CarbonylContact O-C 3.57Å; N25-C74 VanDerWaalsContact O-CA 3.25Å; N25-C74 WeakPolarHBondContact O-CA 3.37Å; V72-C74 PolarHBondContact O-N 2.79Å; V72-C74 PolarHBondContact O-SG 3.06Å; C74-T76 PolarHBondContact O-N 3.16Å
75D96.9Very high94.6Very high36 Ų3653.6 Ų53.619%0.19328%0.282CS..EExtended strand (participates in β ladder)trans-75.9107.3168.9-172.4-1000109N25 I27 S77 Y85N25-D75 WeakPolarHBondContact CB-O 3.28Å; N25-D75 PolarHBondContact ND2-O 2.84Å; N25-D75 PolarHBondContact O-N 2.86Å; I27-D75 HydrophobicContact CG1-CB 4.38Å; D75-S77 WeakPolarHBondContact OD1-CB 3.46Å; D75-S77 PolarHBondContact OD1-N 3.28Å; D75-S77 PolarHBondContact OD1-OG 2.96Å; D75-Y85 HydrophobicContact CB-CE1 4.04Å
76T94.5Very high94.5Very high50 Ų5055.7 Ų55.731%0.30729%0.291SS..  trans-106.225.217751.20000111.4P11 L12 S13 C74P11-T76 PolarHBondContact O-N 3.43Å; P11-T76 PolarHBondContact O-OG1 3.41Å; L12-T76 PolarHBondContact N-OG1 2.84Å; S13-T76 WeakPolarHBondContact OG-CG2 3.34Å; S13-T76 PolarHBondContact OG-OG1 3.49Å; C74-T76 PolarHBondContact O-N 3.16Å
77S92.5Very high94.5Very high24 Ų2453.1 Ų53.117%0.16828%0.277CS..  trans-68.3142.5179.3-560000112.9Q9 P11 D75 S79 G84Q9-S77 VanDerWaalsContact NE2-CB 3.31Å; Q9-S77 PolarHBondContact NE2-OG 2.86Å; P11-S77 WeakPolarHBondContact CB-OG 3.47Å; P11-S77 PolarHBondContact O-N 3.42Å; P11-S77 PolarHBondContact O-OG 3.49Å; D75-S77 WeakPolarHBondContact OD1-CB 3.46Å; D75-S77 PolarHBondContact OD1-N 3.28Å; D75-S77 PolarHBondContact OD1-OG 2.96Å; S77-S79 PolarHBondContact O-N 2.78Å; S77-G84 PolarHBondContact OG-N 3.41Å
78L90.3Very high94.5Very high102 Ų10253.9 Ų53.953%0.53428%0.283SS..  trans-66.1124.1162.7-65177.5000108.1E80 L81 G82L78-E80 PolarHBondContact O-N 3.45Å; L78-E80 VanDerWaalsContact O-N 3.15Å; L78-L81 HydrophobicContact CB-CD1 4.44Å; L78-L81 HydrophobicContact CB-CG 4.39Å; L78-L81 HydrophobicContact CD1-CD1 4.26Å; L78-L81 PolarHBondContact O-N 2.83Å; L78-G82 PolarHBondContact O-N 3.04Å
79S87Confident94.5Very high97 Ų9759.2 Ų59.268%0.67830%0.301SS*.G310 helixtrans-56.3-34.8-173.370.10000112.6S77 L81 G82S77-S79 PolarHBondContact O-N 2.78Å; S79-L81 VanDerWaalsContact C-N 3.27Å; S79-L81 PolarHBondContact O-N 2.97Å; S79-G82 PolarHBondContact O-N 2.84Å; S79-G82 VanDerWaalsContact O-N 3.09Å
80E88.8Confident94.5Very high158 Ų15853 Ų5374%0.73827%0.274SS*.G310 helixtrans-66.4-26.5179.7-60.678.9-177.700112.5L78L78-E80 PolarHBondContact O-N 3.45Å; L78-E80 VanDerWaalsContact O-N 3.15Å
81L86.6Confident94.5Very high42 Ų4254.6 Ų54.622%0.2229%0.287CS..G310 helixtrans-94-9.2176.9-62-177.5000112.3A2 F4 Q9 L78 S79 K156A2-L81 HydrophobicContact CB-CB 4.46Å; F4-L81 HydrophobicContact CD2-CD2 4Å; Q9-L81 HydrophobicContact CB-CD1 4.41Å; L78-L81 HydrophobicContact CB-CD1 4.44Å; L78-L81 HydrophobicContact CB-CG 4.39Å; L78-L81 HydrophobicContact CD1-CD1 4.26Å; L78-L81 PolarHBondContact O-N 2.83Å; S79-L81 VanDerWaalsContact C-N 3.27Å; S79-L81 PolarHBondContact O-N 2.97Å; L81-K156 PolarHBondContact O-NZ 3.15Å
82G87.8Confident94.5Very high26 Ų2657.5 Ų57.527%0.26830%0.304SS..  trans69.7-177.9-179.300000113.8L78 S79 G84L78-G82 PolarHBondContact O-N 3.04Å; S79-G82 PolarHBondContact O-N 2.84Å; S79-G82 VanDerWaalsContact O-N 3.09Å; G82-G84 PolarHBondContact O-N 3.29Å
83K89.7Confident94.4Very high131 Ų13158 Ų5857%0.5731%0.309SS*.  trans-61.2125.8-177.9-66.3-169.6177.1-172.70111.9Y85K83-Y85 VanDerWaalsContact C-N 3.34Å; K83-Y85 HydrophobicContact CD-CE1 4.45Å
84G92.1Very high94.4Very high2 Ų264.4 Ų64.42%0.02134%0.339CS..SBendtrans-90.112.8178.600000115.1S77 G82 W153 K154S77-G84 PolarHBondContact OG-N 3.41Å; G82-G84 PolarHBondContact O-N 3.29Å; G84-W153 PolarHBondContact O-NE1 3.17Å; G84-K154 PolarHBondContact O-N 3.1Å
85Y95.2Very high94.4Very high28 Ų2868.3 Ų68.311%0.1135%0.354CS..EExtended strand (participates in β ladder)trans-142.4162.5-179.370.3-89.6000111.1L12 I27 D75 K83 L151 V152L12-Y85 HydrophobicContact CD2-CD1 3.76Å; L12-Y85 HydrophobicContact CD2-CE1 4.18Å; L12-Y85 HydrophobicContact CD2-CG 4.35Å; L12-Y85 HydrophobicContact CG-CD1 4.42Å; I27-Y85 HydrophobicContact CD1-CD1 4.22Å; I27-Y85 HydrophobicContact CD1-CD2 4.49Å; I27-Y85 HydrophobicContact CD1-CE1 3.71Å; I27-Y85 HydrophobicContact CD1-CE2 3.97Å; I27-Y85 HydrophobicContact CG1-CE1 4.45Å; D75-Y85 HydrophobicContact CB-CE1 4.04Å; K83-Y85 VanDerWaalsContact C-N 3.34Å; K83-Y85 HydrophobicContact CD-CE1 4.45Å; Y85-L151 HydrophobicContact CD2-CD1 3.46Å; Y85-L151 VanDerWaalsContact CD2-CD1 3.46Å; Y85-L151 HydrophobicContact CD2-CG 4.47Å; Y85-L151 HydrophobicContact CE2-CD1 4.03Å; Y85-L151 HydrophobicContact CG-CD1 4.31Å; Y85-V152 VanDerWaalsContact CA-O 3.29Å; Y85-V152 WeakPolarHBondContact CA-O 3.44Å; Y85-V152 WeakPolarHBondContact CB-O 3.48Å
86E96.3Very high94.5Very high72 Ų7268 Ų6834%0.33635%0.354SS..EExtended strand (participates in β ladder)trans-150.9164.1171.164.4-16314700111.4V88 V152 K154E86-V88 HydrophobicContact CG-CG2 4Å; E86-V152 HydrophobicContact CG-CG2 3.52Å; E86-V152 PolarHBondContact N-O 2.99Å; E86-V152 PolarHBondContact O-N 3.5Å; E86-K154 HydrophobicContact CG-CB 4.37Å; E86-K154 HydrophobicContact CG-CD 4.5Å; E86-K154 WeakPolarHBondContact OE1-CG 3.44Å; E86-K154 IonicContact OE1-NZ 3.96Å; E86-K154 IonicContact OE2-NZ 2.78Å; E86-K154 PolarHBondContact OE2-NZ 3.09Å
87W98.3Very high94.6Very high48 Ų4873.8 Ų73.818%0.18238%0.375CS..EExtended strand (participates in β ladder)trans-97.8131.9171.6-68.3100.3000108.5V29 V35 I113 K115 E149 L151V29-W87 HydrophobicContact CG1-CH2 4.12Å; V29-W87 HydrophobicContact CG1-CZ2 3.56Å; V35-W87 HydrophobicContact CG2-CH2 4.32Å; V35-W87 HydrophobicContact CG2-CZ2 4.14Å; W87-I113 HydrophobicContact CH2-CG2 3.78Å; W87-I113 HydrophobicContact CZ3-CG2 4.2Å; W87-K115 HydrophobicContact CD2-CD 3.56Å; W87-K115 HydrophobicContact CD2-CG 4.09Å; W87-K115 HydrophobicContact CE3-CB 4.4Å; W87-K115 HydrophobicContact CE3-CD 3.64Å; W87-K115 HydrophobicContact CE3-CG 3.61Å; W87-K115 HydrophobicContact CG-CD 4.17Å; W87-K115 VanDerWaalsContact CG-CE 3.42Å; W87-K115 HydrophobicContact CH2-CB 3.91Å; W87-K115 HydrophobicContact CH2-CD 3.88Å; W87-K115 HydrophobicContact CH2-CG 3.93Å; W87-K115 HydrophobicContact CZ2-CD 3.82Å; W87-K115 HydrophobicContact CZ2-CG 4.39Å; W87-K115 HydrophobicContact CZ3-CB 3.8Å; W87-K115 HydrophobicContact CZ3-CD 3.8Å; W87-K115 HydrophobicContact CZ3-CG 3.52Å; W87-E149 HydrophobicContact CB-CB 4.11Å; W87-E149 HydrophobicContact CE3-CB 4.14Å; W87-L151 HydrophobicContact CD2-CB 4.42Å; W87-L151 HydrophobicContact CD2-CD1 3.72Å; W87-L151 VanDerWaalsContact CE2-CD1 3.49Å; W87-L151 HydrophobicContact CE3-CB 3.96Å; W87-L151 HydrophobicContact CE3-CD1 4.14Å; W87-L151 HydrophobicContact CG-CD1 4.22Å; W87-L151 HydrophobicContact CH2-CB 3.98Å; W87-L151 HydrophobicContact CH2-CD1 4.18Å; W87-L151 HydrophobicContact CZ2-CB 4.42Å; W87-L151 HydrophobicContact CZ2-CD1 3.75Å; W87-L151 HydrophobicContact CZ3-CB 3.73Å; W87-L151 HydrophobicContact CZ3-CD1 4.36Å
88V98.4Very high94.7Very high47 Ų4776 Ų7629%0.28538%0.383SS..EExtended strand (participates in β ladder)trans-125.5127.8-178.2175.80000109.2E86 S90 P96 E149 V150 V152E86-V88 HydrophobicContact CG-CG2 4Å; V88-S90 PolarHBondContact O-N 2.89Å; V88-P96 HydrophobicContact CB-CG 3.76Å; V88-P96 HydrophobicContact CG1-CB 4.14Å; V88-P96 HydrophobicContact CG1-CG 3.49Å; V88-P96 VanDerWaalsContact CG1-CG 3.49Å; V88-E149 CarbonylContact O-C 3.54Å; V88-E149 VanDerWaalsContact O-CA 3.29Å; V88-E149 WeakPolarHBondContact O-CA 3.23Å; V88-V150 PolarHBondContact N-O 2.95Å; V88-V150 PolarHBondContact O-N 3.19Å; V88-V152 HydrophobicContact CB-CG1 4.29Å; V88-V152 HydrophobicContact CG2-CG1 4.17Å; V88-V152 HydrophobicContact CG2-CG2 3.55Å
89K98.6Very high95.1Very high177 Ų17772 Ų7277%0.7736%0.363SS*.EExtended strand (participates in β ladder)trans-55.9135.9175.9-66.1-174.7178.5-1740110.9E149K89-E149 HydrophobicContact CG-CG 4.17Å
90S98.7Very high95.6Very high19 Ų1968.6 Ų68.613%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-152.9166.9179.1-65.60000109.2V88 E94 P96 Y148V88-S90 PolarHBondContact O-N 2.89Å; S90-E94 WeakPolarHBondContact CB-O 3.46Å; S90-P96 WeakPolarHBondContact OG-CD 3.44Å; S90-P96 WeakPolarHBondContact OG-CG 3.17Å; S90-Y148 PolarHBondContact N-O 3.27Å; S90-Y148 PolarHBondContact O-N 2.93Å
91S98.4Very high96.1Very high44 Ų4464.9 Ų64.931%0.30832%0.322SS..EExtended strand (participates in β ladder)trans-160.1160.7-175.4590000111.6G93 E94 P146S91-G93 PolarHBondContact O-N 2.88Å; S91-G93 VanDerWaalsContact O-N 3.17Å; S91-E94 VanDerWaalsContact O-CB 3.27Å; S91-E94 WeakPolarHBondContact O-CB 3.24Å; S91-E94 WeakPolarHBondContact O-CG 3.48Å; S91-E94 PolarHBondContact O-N 3.07Å; S91-P146 CarbonylContact C-O 3.52Å; S91-P146 WeakPolarHBondContact CA-O 3.43Å; S91-P146 VanDerWaalsContact CB-O 3.29Å; S91-P146 WeakPolarHBondContact CB-O 3.48Å
92N98.1Very high96.7Very high104 Ų10462.9 Ų62.956%0.55631%0.312SS*.THydrogen-bonded Turntrans58.129.3166.6-59.9-51.4000115.1K132 P146N92-K132 CarbonylContact C-O 3.58Å; N92-K132 WeakPolarHBondContact CA-O 3.28Å; N92-P146 PolarHBondContact N-O 2.93Å
93G98.3Very high97.2Very high10 Ų1061.8 Ų61.810%0.10330%0.301CS..THydrogen-bonded Turntrans94.9-13.2-178.600000114.4S91 H131 K132 Y148S91-G93 PolarHBondContact O-N 2.88Å; S91-G93 VanDerWaalsContact O-N 3.17Å; G93-H131 WeakPolarHBondContact CA-O 3.5Å; G93-K132 PolarHBondContact N-O 3.33Å; G93-Y148 WeakPolarHBondContact CA-OH 3.46Å; G93-Y148 PolarHBondContact N-OH 3.25Å
94E98.5Very high97.6Very high135 Ų13560.7 Ų60.763%0.63130%0.296SS*.  trans-67.7150.4178.4-63.9-61.9137.300111.1S90 S91 Y148S90-E94 WeakPolarHBondContact CB-O 3.46Å; S91-E94 VanDerWaalsContact O-CB 3.27Å; S91-E94 WeakPolarHBondContact O-CB 3.24Å; S91-E94 WeakPolarHBondContact O-CG 3.48Å; S91-E94 PolarHBondContact O-N 3.07Å; E94-Y148 PolarHBondContact N-OH 3.13Å; E94-Y148 WeakPolarHBondContact O-CE2 3.48Å; E94-Y148 PolarHBondContact O-OH 2.95Å
95Y98.5Very high97.8Very high83 Ų8360.8 Ų60.833%0.32530%0.297SS..  trans-142.8145.7171.956.1-93.8000110.4A99 Y112 L127 E129Y95-A99 HydrophobicContact CD2-CB 4.07Å; Y95-Y112 HydrophobicContact CD1-CD2 4.04Å; Y95-Y112 AromaticContact CD1-CE2 3.51Å; Y95-Y112 HydrophobicContact CD1-CE2 3.51Å; Y95-Y112 HydrophobicContact CD2-CE1 4.42Å; Y95-Y112 HydrophobicContact CD2-CE2 4.03Å; Y95-Y112 AromaticContact CD2-CZ 3.91Å; Y95-Y112 HydrophobicContact CE1-CD2 4.48Å; Y95-Y112 AromaticContact CE1-CE2 3.53Å; Y95-Y112 HydrophobicContact CE1-CE2 3.53Å; Y95-Y112 AromaticContact CE1-CZ 3.98Å; Y95-Y112 HydrophobicContact CE2-CE1 4.48Å; Y95-Y112 HydrophobicContact CE2-CE2 4.08Å; Y95-Y112 AromaticContact CE2-CZ 3.74Å; Y95-Y112 WeakPolarHBondContact CE2-OH 3.19Å; Y95-Y112 HydrophobicContact CG-CD2 4.11Å; Y95-Y112 AromaticContact CG-CE2 3.76Å; Y95-Y112 HydrophobicContact CG-CE2 3.76Å; Y95-Y112 AromaticContact CZ-CE2 3.83Å; Y95-Y112 AromaticContact CZ-CZ 3.76Å; Y95-Y112 PolarHBondContact OH-OH 2.94Å; Y95-L127 HydrophobicContact CD1-CD2 4.31Å; Y95-E129 HydrophobicContact CE1-CG 4.22Å; Y95-E129 PolarHBondContact OH-OE1 2.81Å
96P97.8Very high97.8Very high30 Ų3064 Ų6420%0.19532%0.323CS..  trans-76.3162.9-177.3-9.726.9000111.7V88 S90 H98 A99 V152V88-P96 HydrophobicContact CB-CG 3.76Å; V88-P96 HydrophobicContact CG1-CB 4.14Å; V88-P96 HydrophobicContact CG1-CG 3.49Å; V88-P96 VanDerWaalsContact CG1-CG 3.49Å; S90-P96 WeakPolarHBondContact OG-CD 3.44Å; S90-P96 WeakPolarHBondContact OG-CG 3.17Å; P96-H98 PolarHBondContact O-N 3.29Å; P96-A99 WeakPolarHBondContact O-CB 3.12Å; P96-A99 PolarHBondContact O-N 2.92Å; P96-V152 HydrophobicContact CB-CG1 3.97Å; P96-V152 HydrophobicContact CG-CG1 3.81Å
97K96.4Very high97.8Very high170 Ų17064.2 Ų64.274%0.73933%0.327SS*.THydrogen-bonded Turntrans-54.7141.6168.2-168.1-179-177.9170.20110A99K97-A99 VanDerWaalsContact C-N 3.26Å; K97-A99 PolarHBondContact O-N 3.48Å
98H95.6Very high97.8Very high72 Ų7264.4 Ų64.433%0.33334%0.344SS..THydrogen-bonded Turntrans68.919-178.9-48.9-58.9000114.5P96 I100 V152 W153P96-H98 PolarHBondContact O-N 3.29Å; H98-I100 PolarHBondContact O-N 3.23Å; H98-V152 WeakPolarHBondContact O-CA 3.35Å; H98-W153 HydrophobicContact CB-CB 4.28Å; H98-W153 HydrophobicContact CB-CE3 4.08Å; H98-W153 AromaticContact CG-CE3 3.93Å; H98-W153 AromaticContact ND1-CE3 3.88Å; H98-W153 PolarHBondContact O-N 2.64Å
99A98.2Very high97.8Very high16 Ų1666 Ų6613%0.13235%0.347CS..BIsolated β-bridgetrans-50.8135.7165.200000111.2Y95 P96 K97 I101 Y112 V150Y95-A99 HydrophobicContact CD2-CB 4.07Å; P96-A99 WeakPolarHBondContact O-CB 3.12Å; P96-A99 PolarHBondContact O-N 2.92Å; K97-A99 VanDerWaalsContact C-N 3.26Å; K97-A99 PolarHBondContact O-N 3.48Å; A99-I101 PolarHBondContact O-N 3.35Å; A99-Y112 HydrophobicContact CB-CD1 3.58Å; A99-Y112 HydrophobicContact CB-CE1 3.88Å; A99-Y112 HydrophobicContact CB-CG 4.18Å; A99-V150 HydrophobicContact CB-CG1 3.75Å
100I98.1Very high97.8Very high26 Ų2658.3 Ų58.313%0.13332%0.315CS..PPolyproline II helixtrans-83.2120.1-176.2-61.7-176.7000109L12 H98 A102 I113 L151 W153L12-I100 HydrophobicContact CD1-CD1 3.18Å; H98-I100 PolarHBondContact O-N 3.23Å; I100-A102 PolarHBondContact O-N 2.63Å; I100-I113 HydrophobicContact CB-CD1 4.28Å; I100-I113 HydrophobicContact CG2-CD1 3.93Å; I100-L151 HydrophobicContact CD1-CD2 3.96Å; I100-L151 HydrophobicContact CD1-CG 3.97Å; I100-L151 PolarHBondContact N-O 2.83Å; I100-W153 HydrophobicContact CD1-CB 4.49Å; I100-W153 HydrophobicContact CG1-CB 4.29Å
101I98.5Very high97.8Very high80 Ų8057.4 Ų57.441%0.4131%0.309SS..EExtended strand (participates in β ladder)trans-73.9119.3171.5-59.3173.4000107.9A99 G103 F104 P110 Y112A99-I101 PolarHBondContact O-N 3.35Å; I101-G103 WeakPolarHBondContact CG2-O 3.29Å; I101-F104 HydrophobicContact CG2-CE2 4.4Å; I101-F104 HydrophobicContact CG2-CZ 4.2Å; I101-P110 HydrophobicContact CD1-CB 4.04Å; I101-P110 HydrophobicContact CG1-CB 3.98Å; I101-P110 HydrophobicContact CG2-CB 4.1Å; I101-Y112 HydrophobicContact CG1-CD1 4.24Å; I101-Y112 HydrophobicContact CG1-CE1 3.85Å
102A98.6Very high97.8Very high1 Ų155.9 Ų55.91%0.00830%0.297CS..EExtended strand (participates in β ladder)trans-92-26.8173.300000112.5W14 R37 I44 P46 I100 L111 I113W14-A102 HydrophobicContact CH2-CB 4.15Å; W14-A102 HydrophobicContact CZ2-CB 3.86Å; R37-A102 WeakPolarHBondContact CD-O 3.31Å; R37-A102 PolarHBondContact NH1-O 2.91Å; I44-A102 WeakPolarHBondContact CG2-O 3.36Å; P46-A102 HydrophobicContact CB-CB 3.67Å; P46-A102 HydrophobicContact CG-CB 3.94Å; I100-A102 PolarHBondContact O-N 2.63Å; A102-L111 PolarHBondContact N-O 2.92Å; A102-I113 HydrophobicContact CB-CD1 4.21Å; A102-I113 HydrophobicContact CB-CG1 3.61Å
103G98.3Very high97.8Very high3 Ų351 Ų513%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-178.1-158.8-179.900000112.4I44 I101 L111I44-G103 WeakPolarHBondContact O-CA 3.21Å; I101-G103 WeakPolarHBondContact CG2-O 3.29Å; G103-L111 PolarHBondContact N-O 2.86Å; G103-L111 PolarHBondContact O-N 3.09Å
104F98.3Very high97.9Very high107 Ų10750.5 Ų50.547%0.46927%0.265SS..EExtended strand (participates in β ladder)trans-135.9141-176.5-63.9-87.4000110.2E43 I44 I101 G108 K109 P110E43-F104 WeakPolarHBondContact CA-O 2.77Å; E43-F104 WeakPolarHBondContact CB-O 3.3Å; I44-F104 PolarHBondContact N-O 2.94Å; I101-F104 HydrophobicContact CG2-CE2 4.4Å; I101-F104 HydrophobicContact CG2-CZ 4.2Å; F104-G108 WeakPolarHBondContact CD1-O 3.33Å; F104-K109 VanDerWaalsContact CA-O 3.28Å; F104-K109 WeakPolarHBondContact CA-O 3.11Å; F104-P110 HydrophobicContact CE1-CB 4.44Å
105G97.5Very high97.9Very high4 Ų445.4 Ų45.44%0.04124%0.241CC..  trans-76.3171168.900000111.4D107 G108 K109G105-D107 PolarHBondContact O-N 3.28Å; G105-G108 PolarHBondContact O-N 3.06Å; G105-K109 PolarHBondContact N-O 2.83Å
106S95.7Very high97.9Very high96 Ų9641.8 Ų41.867%0.67123%0.229SC*.THydrogen-bonded Turntrans-64.4-19.8-179.842.90000113.8E43 G108E43-S106 VanDerWaalsContact CD-N 3.28Å; E43-S106 WeakPolarHBondContact OE1-CB 3.38Å; E43-S106 PolarHBondContact OE1-N 3.47Å; E43-S106 PolarHBondContact OE1-OG 3.49Å; S106-G108 PolarHBondContact O-N 2.89Å
107D95.9Very high97.9Very high76 Ų7647.9 Ų47.941%0.40625%0.249SC..THydrogen-bonded Turntrans-83.73.2173.674.2-15.7000113.3G105 K109 H128G105-D107 PolarHBondContact O-N 3.28Å; D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 PolarHBondContact O-N 3.22Å; D107-K109 VanDerWaalsContact OD1-CB 3.27Å; D107-K109 WeakPolarHBondContact OD1-CB 3.46Å; D107-K109 PolarHBondContact OD1-N 2.84Å; D107-K109 WeakPolarHBondContact OD2-CD 3.45Å; D107-K109 WeakPolarHBondContact OD2-CG 3.48Å; D107-K109 IonicContact OD2-NZ 3.28Å; D107-K109 PolarHBondContact OD2-NZ 2.83Å; D107-H128 IonicContact OD1-CE1 3.28Å; D107-H128 PolarHBondContact OD1-CE1 2.86Å; D107-H128 VanDerWaalsContact OD1-CE1 3.28Å; D107-H128 IonicContact OD1-NE2 3.86Å; D107-H128 PolarHBondContact OD1-NE2 2.83Å; D107-H128 IonicContact OD2-CE1 3.33Å; D107-H128 PolarHBondContact OD2-CE1 3.43Å; D107-H128 VanDerWaalsContact OD2-CE1 3.28Å; D107-H128 IonicContact OD2-NE2 3.48Å
108G97Very high97.9Very high53 Ų5340.3 Ų40.355%0.54622%0.217SC..SBendtrans793.7-179.400000114.4F104 G105 S106F104-G108 WeakPolarHBondContact CD1-O 3.33Å; G105-G108 PolarHBondContact O-N 3.06Å; S106-G108 PolarHBondContact O-N 2.89Å
109K98.2Very high97.9Very high80 Ų8043.1 Ų43.135%0.34823%0.231SC..  trans-83.2151.7178.2-66.6-160.6-163.298.50112.5F104 G105 D107 E129F104-K109 VanDerWaalsContact CA-O 3.28Å; F104-K109 WeakPolarHBondContact CA-O 3.11Å; G105-K109 PolarHBondContact N-O 2.83Å; D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 PolarHBondContact O-N 3.22Å; D107-K109 VanDerWaalsContact OD1-CB 3.27Å; D107-K109 WeakPolarHBondContact OD1-CB 3.46Å; D107-K109 PolarHBondContact OD1-N 2.84Å; D107-K109 WeakPolarHBondContact OD2-CD 3.45Å; D107-K109 WeakPolarHBondContact OD2-CG 3.48Å; D107-K109 IonicContact OD2-NZ 3.28Å; D107-K109 PolarHBondContact OD2-NZ 2.83Å; K109-E129 HydrophobicContact CB-CB 4.3Å; K109-E129 HydrophobicContact CD-CB 4.33Å; K109-E129 HydrophobicContact CD-CG 4.36Å; K109-E129 WeakPolarHBondContact CD-O 3.4Å
110P98.6Very high97.8Very high15 Ų1549.8 Ų49.810%0.09726%0.264CS..EExtended strand (participates in β ladder)trans-67.1143.618026.6-33.5000112.4I101 F104 Y112 E129I101-P110 HydrophobicContact CD1-CB 4.04Å; I101-P110 HydrophobicContact CG1-CB 3.98Å; I101-P110 HydrophobicContact CG2-CB 4.1Å; F104-P110 HydrophobicContact CE1-CB 4.44Å; P110-Y112 HydrophobicContact CB-CE1 4.27Å; P110-Y112 HydrophobicContact CG-CE2 4.36Å; P110-Y112 WeakPolarHBondContact CG-OH 3.42Å; P110-E129 VanDerWaalsContact CD-OE2 3.28Å; P110-E129 WeakPolarHBondContact CD-OE2 3Å; P110-E129 HydrophobicContact CG-CB 3.82Å; P110-E129 HydrophobicContact CG-CG 4.37Å; P110-E129 PolarHBondContact O-N 2.89Å; P110-E129 VanDerWaalsContact O-N 3.15Å
111L98.9Very high97.7Very high0 Ų051.6 Ų51.60%027%0.274CS..EExtended strand (participates in β ladder)trans-107.5123.3167.4-57.1-177.6000109.3L45 P46 A102 G103 K126 L127 H128L45-L111 HydrophobicContact CD2-CD1 3.76Å; P46-L111 HydrophobicContact CG-CB 4.21Å; A102-L111 PolarHBondContact N-O 2.92Å; G103-L111 PolarHBondContact N-O 2.86Å; G103-L111 PolarHBondContact O-N 3.09Å; L111-K126 HydrophobicContact CD1-CD 4.32Å; L111-L127 WeakPolarHBondContact CA-O 3.46Å; L111-H128 HydrophobicContact CD2-CB 3.73Å; L111-H128 WeakPolarHBondContact CD2-CD2 3.31Å
112Y98.9Very high97.7Very high13 Ų1348.3 Ų48.35%0.05126%0.257CS..EExtended strand (participates in β ladder)trans-96158.4176.5-49.8-74.2000111.4Y95 A99 I101 P110 A114 K126 L127 E129Y95-Y112 HydrophobicContact CD1-CD2 4.04Å; Y95-Y112 AromaticContact CD1-CE2 3.51Å; Y95-Y112 HydrophobicContact CD1-CE2 3.51Å; Y95-Y112 HydrophobicContact CD2-CE1 4.42Å; Y95-Y112 HydrophobicContact CD2-CE2 4.03Å; Y95-Y112 AromaticContact CD2-CZ 3.91Å; Y95-Y112 HydrophobicContact CE1-CD2 4.48Å; Y95-Y112 AromaticContact CE1-CE2 3.53Å; Y95-Y112 HydrophobicContact CE1-CE2 3.53Å; Y95-Y112 AromaticContact CE1-CZ 3.98Å; Y95-Y112 HydrophobicContact CE2-CE1 4.48Å; Y95-Y112 HydrophobicContact CE2-CE2 4.08Å; Y95-Y112 AromaticContact CE2-CZ 3.74Å; Y95-Y112 WeakPolarHBondContact CE2-OH 3.19Å; Y95-Y112 HydrophobicContact CG-CD2 4.11Å; Y95-Y112 AromaticContact CG-CE2 3.76Å; Y95-Y112 HydrophobicContact CG-CE2 3.76Å; Y95-Y112 AromaticContact CZ-CE2 3.83Å; Y95-Y112 AromaticContact CZ-CZ 3.76Å; Y95-Y112 PolarHBondContact OH-OH 2.94Å; A99-Y112 HydrophobicContact CB-CD1 3.58Å; A99-Y112 HydrophobicContact CB-CE1 3.88Å; A99-Y112 HydrophobicContact CB-CG 4.18Å; I101-Y112 HydrophobicContact CG1-CD1 4.24Å; I101-Y112 HydrophobicContact CG1-CE1 3.85Å; P110-Y112 HydrophobicContact CB-CE1 4.27Å; P110-Y112 HydrophobicContact CG-CE2 4.36Å; P110-Y112 WeakPolarHBondContact CG-OH 3.42Å; Y112-A114 PolarHBondContact O-N 2.99Å; Y112-K126 WeakPolarHBondContact O-CA 3.34Å; Y112-L127 HydrophobicContact CD2-CD2 4.16Å; Y112-L127 HydrophobicContact CD2-CG 4.22Å; Y112-L127 PolarHBondContact N-O 3.48Å; Y112-L127 PolarHBondContact O-N 3.05Å; Y112-E129 HydrophobicContact CE2-CB 4.1Å; Y112-E129 PolarHBondContact OH-OE1 2.86Å
113I98.9Very high97.7Very high0 Ų048.3 Ų48.30%026%0.257CS..EExtended strand (participates in β ladder)trans-83116175.1-53.2161.9000108.2W14 V35 P46 L73 W87 I100 A102 V124 V150 L151W14-I113 HydrophobicContact CH2-CD1 4.16Å; W14-I113 HydrophobicContact CZ2-CD1 4.02Å; V35-I113 HydrophobicContact CG1-CD1 4.17Å; V35-I113 HydrophobicContact CG1-CG1 4.48Å; V35-I113 HydrophobicContact CG1-CG2 3.73Å; P46-I113 HydrophobicContact CB-CG1 4.44Å; L73-I113 HydrophobicContact CD2-CD1 3.72Å; W87-I113 HydrophobicContact CH2-CG2 3.78Å; W87-I113 HydrophobicContact CZ3-CG2 4.2Å; I100-I113 HydrophobicContact CB-CD1 4.28Å; I100-I113 HydrophobicContact CG2-CD1 3.93Å; A102-I113 HydrophobicContact CB-CD1 4.21Å; A102-I113 HydrophobicContact CB-CG1 3.61Å; I113-V124 HydrophobicContact CG2-CG1 3.87Å; I113-V150 WeakPolarHBondContact O-CA 3.05Å; I113-L151 HydrophobicContact CB-CB 3.95Å; I113-L151 HydrophobicContact CD1-CB 4.38Å; I113-L151 HydrophobicContact CD1-CD2 3.69Å; I113-L151 HydrophobicContact CG2-CB 4.16Å; I113-L151 PolarHBondContact O-N 3.49Å
114A98.9Very high97.7Very high0 Ų048.1 Ų48.10%026%0.255CS..EExtended strand (participates in β ladder)trans-117.5145.6174.300000109.9Y112 V124 G125 L127 A134 M136 Y148 E149Y112-A114 PolarHBondContact O-N 2.99Å; A114-V124 WeakPolarHBondContact O-CA 3.28Å; A114-G125 PolarHBondContact N-O 2.94Å; A114-G125 VanDerWaalsContact N-O 3.16Å; A114-G125 PolarHBondContact O-N 3.37Å; A114-L127 HydrophobicContact CB-CB 4.1Å; A114-A134 HydrophobicContact CB-CB 3.62Å; A114-M136 HydrophobicContact CB-CE 3.93Å; A114-Y148 HydrophobicContact CB-CD2 4.26Å; A114-Y148 HydrophobicContact CB-CG 4.5Å; A114-E149 CarbonylContact C-O 3.59Å; A114-E149 WeakPolarHBondContact CA-O 3.15Å
115K98.7Very high97.7Very high28 Ų2843 Ų4312%0.12223%0.233CC..EExtended strand (participates in β ladder)trans-125154.3166.572.7176.2-179.6167.40110.5V29 W87 I122 C123 V124 Y148 E149V29-K115 HydrophobicContact CB-CD 4.26Å; V29-K115 HydrophobicContact CG1-CB 4.38Å; V29-K115 HydrophobicContact CG1-CD 3.91Å; W87-K115 HydrophobicContact CD2-CD 3.56Å; W87-K115 HydrophobicContact CD2-CG 4.09Å; W87-K115 HydrophobicContact CE3-CB 4.4Å; W87-K115 HydrophobicContact CE3-CD 3.64Å; W87-K115 HydrophobicContact CE3-CG 3.61Å; W87-K115 HydrophobicContact CG-CD 4.17Å; W87-K115 VanDerWaalsContact CG-CE 3.42Å; W87-K115 HydrophobicContact CH2-CB 3.91Å; W87-K115 HydrophobicContact CH2-CD 3.88Å; W87-K115 HydrophobicContact CH2-CG 3.93Å; W87-K115 HydrophobicContact CZ2-CD 3.82Å; W87-K115 HydrophobicContact CZ2-CG 4.39Å; W87-K115 HydrophobicContact CZ3-CB 3.8Å; W87-K115 HydrophobicContact CZ3-CD 3.8Å; W87-K115 HydrophobicContact CZ3-CG 3.52Å; K115-I122 HydrophobicContact CD-CD1 4.46Å; K115-C123 CarbonylContact C-O 3.55Å; K115-C123 WeakPolarHBondContact CA-O 3.12Å; K115-C123 VanDerWaalsContact CB-O 3.25Å; K115-C123 WeakPolarHBondContact CB-O 3.35Å; K115-V124 HydrophobicContact CB-CG2 4.3Å; K115-Y148 CarbonylContact O-C 3.43Å; K115-Y148 WeakPolarHBondContact O-CA 3.28Å; K115-Y148 VanDerWaalsContact O-CB 3.3Å; K115-Y148 WeakPolarHBondContact O-CB 3.49Å; K115-E149 WeakPolarHBondContact CE-OE2 3.34Å; K115-E149 HydrophobicContact CG-CB 4.05Å; K115-E149 PolarHBondContact N-O 3.13Å; K115-E149 IonicContact NZ-OE2 2.8Å; K115-E149 PolarHBondContact NZ-OE2 3.28Å; K115-E149 PolarHBondContact O-N 3.33Å
116G98.4Very high97.8Very high7 Ų743.5 Ų43.57%0.07223%0.234CC..EExtended strand (participates in β ladder)trans-174.1-175176.700000110.8C123G116-C123 PolarHBondContact N-O 3.28Å; G116-C123 PolarHBondContact O-N 3.13Å
117Y98.2Very high98Very high159 Ų15938.9 Ų38.962%0.62420%0.202SC*.EExtended strand (participates in β ladder)trans-103.1135.8-177.8-68.2-92.1000111.1N121 I122Y117-N121 VanDerWaalsContact CA-O 3.31Å; Y117-N121 WeakPolarHBondContact CA-O 3.44Å; Y117-I122 HydrophobicContact CD1-CB 4.36Å; Y117-I122 HydrophobicContact CD1-CD1 4.46Å; Y117-I122 HydrophobicContact CD2-CD1 4.28Å; Y117-I122 HydrophobicContact CE1-CB 3.99Å; Y117-I122 HydrophobicContact CE1-CD1 4.11Å; Y117-I122 HydrophobicContact CE2-CD1 3.91Å
118V97.8Very high98.1Very high11 Ų1136 Ų367%0.06719%0.186CC..EExtended strand (participates in β ladder)trans-125.2120167.7-177.70000106.7D120 N121 M136 W138 N143 I145V118-D120 VanDerWaalsContact C-N 3.3Å; V118-D120 PolarHBondContact O-N 2.72Å; V118-N121 PolarHBondContact N-O 3.17Å; V118-N121 WeakPolarHBondContact O-CB 3.27Å; V118-N121 PolarHBondContact O-N 2.97Å; V118-M136 HydrophobicContact CG2-CB 3.54Å; V118-M136 HydrophobicContact CG2-CG 3.92Å; V118-W138 HydrophobicContact CB-CB 4.27Å; V118-W138 HydrophobicContact CB-CG 4.14Å; V118-W138 HydrophobicContact CG1-CB 4.04Å; V118-W138 HydrophobicContact CG1-CG 3.88Å; V118-W138 HydrophobicContact CG2-CB 4.47Å; V118-N143 HydrophobicContact CG1-CB 4.18Å; V118-N143 HydrophobicContact CG2-CB 4.06Å; V118-I145 HydrophobicContact CG2-CG2 4.33Å
119E95.1Very high98.2Very high131 Ų13136.2 Ų36.261%0.61217%0.172SC*.THydrogen-bonded Turntrans50.549.1-179-58.7173.4169.700112.2N121 W138E119-N121 PolarHBondContact O-N 3.44Å; E119-N121 PolarHBondContact O-ND2 2.95Å; E119-W138 PolarHBondContact OE2-NE1 2.89Å
120D95.9Very high98.1Very high156 Ų15635.6 Ų35.683%0.83419%0.189SC*.THydrogen-bonded Turntrans63.25.4-176.8-56.2-45.5000116.4V118V118-D120 VanDerWaalsContact C-N 3.3Å; V118-D120 PolarHBondContact O-N 2.72Å
121N96.3Very high98.1Very high64 Ų6438.5 Ų38.534%0.34220%0.201SC..EExtended strand (participates in β ladder)trans-100.5131.2177.3-67.7-92.9000111Y117 V118 E119 W138Y117-N121 VanDerWaalsContact CA-O 3.31Å; Y117-N121 WeakPolarHBondContact CA-O 3.44Å; V118-N121 PolarHBondContact N-O 3.17Å; V118-N121 WeakPolarHBondContact O-CB 3.27Å; V118-N121 PolarHBondContact O-N 2.97Å; E119-N121 PolarHBondContact O-N 3.44Å; E119-N121 PolarHBondContact O-ND2 2.95Å; N121-W138 HydrophobicContact CB-CE3 4.45Å; N121-W138 HydrophobicContact CB-CH2 3.35Å; N121-W138 HydrophobicContact CB-CZ2 3.56Å; N121-W138 HydrophobicContact CB-CZ3 3.82Å; N121-W138 WeakPolarHBondContact ND2-CZ2 3.1Å
122I98.1Very high98Very high11 Ų1146.4 Ų46.46%0.05624%0.236CC..EExtended strand (participates in β ladder)trans-69.9132.3174.1-169.868000110.3V29 D31 K115 Y117V29-I122 HydrophobicContact CB-CG1 4.15Å; V29-I122 HydrophobicContact CG2-CG1 3.94Å; V29-I122 HydrophobicContact CG2-CG2 4.4Å; D31-I122 HydrophobicContact CB-CG2 4.23Å; K115-I122 HydrophobicContact CD-CD1 4.46Å; Y117-I122 HydrophobicContact CD1-CB 4.36Å; Y117-I122 HydrophobicContact CD1-CD1 4.46Å; Y117-I122 HydrophobicContact CD2-CD1 4.28Å; Y117-I122 HydrophobicContact CE1-CB 3.99Å; Y117-I122 HydrophobicContact CE1-CD1 4.11Å; Y117-I122 HydrophobicContact CE2-CD1 3.91Å
123C98.2Very high98Very high0 Ų047 Ų470%024%0.241CC..EExtended strand (participates in β ladder)trans-136.8154.2-177-170.30000111.2K115 G116 M136 P137K115-C123 CarbonylContact C-O 3.55Å; K115-C123 WeakPolarHBondContact CA-O 3.12Å; K115-C123 VanDerWaalsContact CB-O 3.25Å; K115-C123 WeakPolarHBondContact CB-O 3.35Å; G116-C123 PolarHBondContact N-O 3.28Å; G116-C123 PolarHBondContact O-N 3.13Å; C123-M136 HydrophobicContact CB-CB 4.22Å; C123-M136 HydrophobicContact CB-CG 4.32Å; C123-M136 HydrophobicContact CB-SD 4.2Å; C123-P137 PolarHBondContact SG-O 3.01Å; C123-P137 VanDerWaalsContact SG-O 3.35Å
124V98.8Very high98Very high0 Ų047 Ų470%024%0.241CC..EExtended strand (participates in β ladder)trans-116.7137.1170.7-173.60000108.9V29 V33 V35 G47 K48 I113 A114 K115 P137V29-V124 HydrophobicContact CB-CG2 4Å; V29-V124 HydrophobicContact CG1-CG2 3.42Å; V29-V124 VanDerWaalsContact CG1-CG2 3.42Å; V29-V124 HydrophobicContact CG2-CG2 3.4Å; V29-V124 VanDerWaalsContact CG2-CG2 3.4Å; V33-V124 HydrophobicContact CG1-CG2 4.29Å; V35-V124 HydrophobicContact CG1-CG1 4.3Å; V35-V124 HydrophobicContact CG2-CG1 4.14Å; V35-V124 HydrophobicContact CG2-CG2 4.12Å; G47-V124 CarbonylContact C-O 3.13Å; G47-V124 WeakPolarHBondContact O-CG1 3.4Å; K48-V124 HydrophobicContact CB-CB 4.39Å; I113-V124 HydrophobicContact CG2-CG1 3.87Å; A114-V124 WeakPolarHBondContact O-CA 3.28Å; K115-V124 HydrophobicContact CB-CG2 4.3Å; V124-P137 VanDerWaalsContact O-CD 3.29Å; V124-P137 WeakPolarHBondContact O-CD 3.26Å
125G98.8Very high98Very high0 Ų049 Ų490%025%0.249CC..EExtended strand (participates in β ladder)trans-154.1-152.8179.100000111.5A114 Y135 M136A114-G125 PolarHBondContact N-O 2.94Å; A114-G125 VanDerWaalsContact N-O 3.16Å; A114-G125 PolarHBondContact O-N 3.37Å; G125-Y135 WeakPolarHBondContact CA-O 3.34Å; G125-M136 PolarHBondContact N-SD 3.21Å; G125-M136 VanDerWaalsContact N-SD 3.43Å
126K98.7Very high98Very high13 Ų1347.6 Ų47.66%0.05724%0.243CC..EExtended strand (participates in β ladder)trans-110.6143.9-174.470.8-174.9-175.5-172.40112L45 P46 S59 L111 Y112 A134 Y135 E142L45-K126 HydrophobicContact CD2-CD 4.25Å; P46-K126 HydrophobicContact CG-CB 3.53Å; S59-K126 VanDerWaalsContact O-CE 3.22Å; S59-K126 WeakPolarHBondContact O-CE 3.38Å; S59-K126 PolarHBondContact O-NZ 2.88Å; L111-K126 HydrophobicContact CD1-CD 4.32Å; Y112-K126 WeakPolarHBondContact O-CA 3.34Å; K126-A134 CarbonylContact O-C 3.57Å; K126-A134 WeakPolarHBondContact O-CA 3.35Å; K126-Y135 HydrophobicContact CG-CD2 4.29Å; K126-Y135 PolarHBondContact N-O 2.79Å; K126-Y135 VanDerWaalsContact N-O 3.09Å; K126-Y135 PolarHBondContact O-N 2.7Å; K126-E142 WeakPolarHBondContact CE-OE2 3.45Å; K126-E142 IonicContact NZ-OE2 3.77Å; K126-E142 PolarHBondContact NZ-OE2 3.32Å
127L98.8Very high98Very high0 Ų047.3 Ų47.30%024%0.24CC..EExtended strand (participates in β ladder)trans-111.7119.7157.4170.967.3000107.7Y95 L111 Y112 A114 S133 A134 Y148 V150Y95-L127 HydrophobicContact CD1-CD2 4.31Å; L111-L127 WeakPolarHBondContact CA-O 3.46Å; Y112-L127 HydrophobicContact CD2-CD2 4.16Å; Y112-L127 HydrophobicContact CD2-CG 4.22Å; Y112-L127 PolarHBondContact N-O 3.48Å; Y112-L127 PolarHBondContact O-N 3.05Å; A114-L127 HydrophobicContact CB-CB 4.1Å; L127-S133 WeakPolarHBondContact CD1-O 3.16Å; L127-A134 HydrophobicContact CB-CB 4.49Å; L127-Y148 HydrophobicContact CD1-CE1 4.43Å; L127-Y148 HydrophobicContact CD1-CE2 4.39Å; L127-Y148 WeakPolarHBondContact CD1-OH 3.27Å; L127-Y148 HydrophobicContact CD2-CE2 3.71Å; L127-V150 HydrophobicContact CD2-CG2 3.99Å
128H98.7Very high98Very high15 Ų1542.5 Ų42.57%0.06922%0.221CC..EExtended strand (participates in β ladder)trans-90.9129179.2-169.7-55000109.9D107 L111 G130 H131D107-H128 IonicContact OD1-CE1 3.28Å; D107-H128 PolarHBondContact OD1-CE1 2.86Å; D107-H128 VanDerWaalsContact OD1-CE1 3.28Å; D107-H128 IonicContact OD1-NE2 3.86Å; D107-H128 PolarHBondContact OD1-NE2 2.83Å; D107-H128 IonicContact OD2-CE1 3.33Å; D107-H128 PolarHBondContact OD2-CE1 3.43Å; D107-H128 VanDerWaalsContact OD2-CE1 3.28Å; D107-H128 IonicContact OD2-NE2 3.48Å; L111-H128 HydrophobicContact CD2-CB 3.73Å; L111-H128 WeakPolarHBondContact CD2-CD2 3.31Å; H128-G130 PolarHBondContact O-N 2.82Å; H128-H131 HydrophobicContact CB-CB 4.1Å; H128-H131 AromaticContact CG-CD2 3.87Å; H128-H131 AromaticContact CG-CE1 3.99Å; H128-H131 AromaticContact CG-NE2 3.87Å; H128-H131 AromaticContact ND1-CD2 3.67Å; H128-H131 AromaticContact ND1-NE2 3.81Å; H128-H131 WeakPolarHBondContact O-CB 3.23Å; H128-H131 PolarHBondContact O-N 3.44Å
129E98.4Very high98Very high57 Ų5744.6 Ų44.627%0.26625%0.245SC..THydrogen-bonded Turntrans-58.7129.9176.8179176.4-100.800111.2Y95 K109 P110 Y112 H131Y95-E129 HydrophobicContact CE1-CG 4.22Å; Y95-E129 PolarHBondContact OH-OE1 2.81Å; K109-E129 HydrophobicContact CB-CB 4.3Å; K109-E129 HydrophobicContact CD-CB 4.33Å; K109-E129 HydrophobicContact CD-CG 4.36Å; K109-E129 WeakPolarHBondContact CD-O 3.4Å; P110-E129 VanDerWaalsContact CD-OE2 3.28Å; P110-E129 WeakPolarHBondContact CD-OE2 3Å; P110-E129 HydrophobicContact CG-CB 3.82Å; P110-E129 HydrophobicContact CG-CG 4.37Å; P110-E129 PolarHBondContact O-N 2.89Å; P110-E129 VanDerWaalsContact O-N 3.15Å; Y112-E129 HydrophobicContact CE2-CB 4.1Å; Y112-E129 PolarHBondContact OH-OE1 2.86Å; E129-H131 VanDerWaalsContact C-N 3.34Å
130G97.5Very high98.1Very high68 Ų6840.4 Ų40.470%0.70124%0.237SC*.THydrogen-bonded Turntrans85.9-4.3-176.700000115.2H128H128-G130 PolarHBondContact O-N 2.82Å
131H98.1Very high98.3Very high76 Ų7639.9 Ų39.935%0.35222%0.223SC..  trans-91.1163.1170.2-70.7-153.4000110.6G93 H128 E129 Y135G93-H131 WeakPolarHBondContact CA-O 3.5Å; H128-H131 HydrophobicContact CB-CB 4.1Å; H128-H131 AromaticContact CG-CD2 3.87Å; H128-H131 AromaticContact CG-CE1 3.99Å; H128-H131 AromaticContact CG-NE2 3.87Å; H128-H131 AromaticContact ND1-CD2 3.67Å; H128-H131 AromaticContact ND1-NE2 3.81Å; H128-H131 WeakPolarHBondContact O-CB 3.23Å; H128-H131 PolarHBondContact O-N 3.44Å; E129-H131 VanDerWaalsContact C-N 3.34Å; H131-Y135 HydrophobicContact CB-CE2 3.93Å; H131-Y135 AromaticContact ND1-CE2 3.42Å; H131-Y135 WeakPolarHBondContact ND1-CE2 3.39Å; H131-Y135 AromaticContact ND1-CZ 3.54Å; H131-Y135 PolarHBondContact ND1-OH 3.37Å
132K97.8Very high98.4Very high166 Ų16638.6 Ų38.672%0.72222%0.215SC*.SBendtrans-983.1-175.1-62.2-176.3179.4-178.90114.4N92 G93N92-K132 CarbonylContact C-O 3.58Å; N92-K132 WeakPolarHBondContact CA-O 3.28Å; G93-K132 PolarHBondContact N-O 3.33Å
133S98.5Very high98.4Very high25 Ų2539.5 Ų39.518%0.17522%0.22CC..SBendtrans-148.8155.2-172.8-61.80000111L127 Y135 I145L127-S133 WeakPolarHBondContact CD1-O 3.16Å; S133-Y135 WeakPolarHBondContact O-CD2 3.41Å; S133-Y135 VanDerWaalsContact O-CE2 3.22Å; S133-Y135 WeakPolarHBondContact O-CE2 3.33Å; S133-I145 WeakPolarHBondContact CA-O 3.41Å; S133-I145 WeakPolarHBondContact CB-O 3.08Å
134A98.8Very high98.4Very high0 Ų042.4 Ų42.40%024%0.244CC..EExtended strand (participates in β ladder)trans-84.8152.1160.500000109.2A114 K126 L127 M136 A144 I145 Y148A114-A134 HydrophobicContact CB-CB 3.62Å; K126-A134 CarbonylContact O-C 3.57Å; K126-A134 WeakPolarHBondContact O-CA 3.35Å; L127-A134 HydrophobicContact CB-CB 4.49Å; A134-M136 HydrophobicContact CB-CE 3.68Å; A134-A144 CarbonylContact O-C 3.48Å; A134-A144 WeakPolarHBondContact O-CA 3.47Å; A134-I145 HydrophobicContact CB-CG1 4.05Å; A134-I145 PolarHBondContact N-O 3Å; A134-I145 VanDerWaalsContact N-O 3.08Å; A134-I145 PolarHBondContact O-N 3.38Å; A134-Y148 HydrophobicContact CB-CD1 3.38Å; A134-Y148 HydrophobicContact CB-CD2 4.23Å; A134-Y148 HydrophobicContact CB-CE1 3.85Å; A134-Y148 HydrophobicContact CB-CG 3.6Å
135Y98.8Very high98.4Very high41 Ų4143.4 Ų43.416%0.16125%0.249CC..EExtended strand (participates in β ladder)trans-122.7110-170.9-65.3-79000109.4S59 G125 K126 H131 S133 E142 N143 A144S59-Y135 VanDerWaalsContact OG-C 3.31Å; S59-Y135 PolarHBondContact OG-O 3.14Å; G125-Y135 WeakPolarHBondContact CA-O 3.34Å; K126-Y135 HydrophobicContact CG-CD2 4.29Å; K126-Y135 PolarHBondContact N-O 2.79Å; K126-Y135 VanDerWaalsContact N-O 3.09Å; K126-Y135 PolarHBondContact O-N 2.7Å; H131-Y135 HydrophobicContact CB-CE2 3.93Å; H131-Y135 AromaticContact ND1-CE2 3.42Å; H131-Y135 WeakPolarHBondContact ND1-CE2 3.39Å; H131-Y135 AromaticContact ND1-CZ 3.54Å; H131-Y135 PolarHBondContact ND1-OH 3.37Å; S133-Y135 WeakPolarHBondContact O-CD2 3.41Å; S133-Y135 VanDerWaalsContact O-CE2 3.22Å; S133-Y135 WeakPolarHBondContact O-CE2 3.33Å; Y135-E142 HydrophobicContact CD1-CG 3.61Å; Y135-E142 HydrophobicContact CG-CG 4.08Å; Y135-N143 WeakPolarHBondContact CA-O 3.21Å; Y135-A144 HydrophobicContact CD1-CB 4.09Å; Y135-A144 HydrophobicContact CE1-CB 3.98Å
136M98.8Very high98.3Very high0 Ų046.8 Ų46.80%027%0.271CS..EExtended strand (participates in β ladder)trans-100.3122.8-175.5-61.8-54.7152.900110.8S59 A114 V118 C123 G125 A134 W138 N143 I145S59-M136 VanDerWaalsContact OG-C 3.27Å; A114-M136 HydrophobicContact CB-CE 3.93Å; V118-M136 HydrophobicContact CG2-CB 3.54Å; V118-M136 HydrophobicContact CG2-CG 3.92Å; C123-M136 HydrophobicContact CB-CB 4.22Å; C123-M136 HydrophobicContact CB-CG 4.32Å; C123-M136 HydrophobicContact CB-SD 4.2Å; G125-M136 PolarHBondContact N-SD 3.21Å; G125-M136 VanDerWaalsContact N-SD 3.43Å; A134-M136 HydrophobicContact CB-CE 3.68Å; M136-W138 PolarHBondContact O-N 2.82Å; M136-N143 HydrophobicContact CB-CB 4.4Å; M136-N143 PolarHBondContact N-O 2.9Å; M136-N143 PolarHBondContact O-N 2.69Å; M136-N143 PolarHBondContact O-ND2 2.97Å; M136-I145 HydrophobicContact CE-CD1 3.53Å; M136-I145 HydrophobicContact CE-CG1 4.11Å; M136-I145 HydrophobicContact CG-CD1 3.71Å; M136-I145 HydrophobicContact CG-CG1 4.17Å; M136-I145 HydrophobicContact CG-CG2 4.49Å; M136-I145 HydrophobicContact SD-CD1 4.4Å
137P98.6Very high98.3Very high0 Ų053.4 Ų53.40%030%0.302CS..EExtended strand (participates in β ladder)trans-74.4112.9174.727.5-26.4000107K48 Y57 S59 E64 C123 V124K48-P137 HydrophobicContact CD-CG 4.41Å; K48-P137 VanDerWaalsContact CE-O 3.31Å; K48-P137 WeakPolarHBondContact CE-O 3.46Å; K48-P137 HydrophobicContact CG-CG 4.21Å; K48-P137 PolarHBondContact NZ-O 2.74Å; Y57-P137 VanDerWaalsContact O-CG 3.31Å; Y57-P137 WeakPolarHBondContact O-CG 3.48Å; S59-P137 WeakPolarHBondContact OG-CD 3.5Å; E64-P137 HydrophobicContact CB-CB 4.12Å; E64-P137 HydrophobicContact CG-CB 3.8Å; E64-P137 VanDerWaalsContact OE1-O 3.04Å; C123-P137 PolarHBondContact SG-O 3.01Å; C123-P137 VanDerWaalsContact SG-O 3.35Å; V124-P137 VanDerWaalsContact O-CD 3.29Å; V124-P137 WeakPolarHBondContact O-CD 3.26Å
138W98.2Very high98.3Very high58 Ų5853.9 Ų53.922%0.2230%0.304CS..EExtended strand (participates in β ladder)trans-157.5135.6179.2-174.3-91.9000112.1E64 V118 E119 N121 M136 G140 R141 N143E64-W138 WeakPolarHBondContact OE1-CA 3.09Å; E64-W138 PolarHBondContact OE1-N 2.88Å; V118-W138 HydrophobicContact CB-CB 4.27Å; V118-W138 HydrophobicContact CB-CG 4.14Å; V118-W138 HydrophobicContact CG1-CB 4.04Å; V118-W138 HydrophobicContact CG1-CG 3.88Å; V118-W138 HydrophobicContact CG2-CB 4.47Å; E119-W138 PolarHBondContact OE2-NE1 2.89Å; N121-W138 HydrophobicContact CB-CE3 4.45Å; N121-W138 HydrophobicContact CB-CH2 3.35Å; N121-W138 HydrophobicContact CB-CZ2 3.56Å; N121-W138 HydrophobicContact CB-CZ3 3.82Å; N121-W138 WeakPolarHBondContact ND2-CZ2 3.1Å; M136-W138 PolarHBondContact O-N 2.82Å; W138-G140 VanDerWaalsContact C-N 3.3Å; W138-G140 PolarHBondContact O-N 2.72Å; W138-R141 PolarHBondContact N-O 3.45Å; W138-R141 PolarHBondContact O-N 2.8Å; W138-R141 VanDerWaalsContact O-N 3.14Å; W138-R141 VanDerWaalsContact O-O 3.14Å; W138-N143 WeakPolarHBondContact CB-ND2 3.22Å; W138-N143 PolarHBondContact N-ND2 3.14Å; W138-N143 PolarHBondContact O-ND2 3.21Å
139G96.9Very high98.3Very high56 Ų5655.9 Ų55.958%0.57731%0.314SS*.THydrogen-bonded Turntrans63.434.1173.300000113.4E64 R141E64-G139 PolarHBondContact OE2-N 3.43Å; G139-R141 VanDerWaalsContact C-N 3.28Å; G139-R141 PolarHBondContact O-N 3.2Å
140G98Very high98.3Very high43 Ų4353.2 Ų53.244%0.44330%0.301SS..THydrogen-bonded Turntrans794.9-177.500000114.6E64 W138E64-G140 PolarHBondContact N-O 2.99Å; E64-G140 WeakPolarHBondContact OE2-CA 3.5Å; E64-G140 PolarHBondContact OE2-N 2.97Å; W138-G140 VanDerWaalsContact C-N 3.3Å; W138-G140 PolarHBondContact O-N 2.72Å
141R98.5Very high98.4Very high144 Ų14450 Ų5054%0.54327%0.268SS..EExtended strand (participates in β ladder)trans-130.9159.2-176.1-62.6-170.9-65.3-112.3-1.4113.1W138 G139 N143W138-R141 PolarHBondContact N-O 3.45Å; W138-R141 PolarHBondContact O-N 2.8Å; W138-R141 VanDerWaalsContact O-N 3.14Å; W138-R141 VanDerWaalsContact O-O 3.14Å; G139-R141 VanDerWaalsContact C-N 3.28Å; G139-R141 PolarHBondContact O-N 3.2Å; R141-N143 PolarHBondContact O-ND2 3.48Å
142E98.6Very high98.4Very high38 Ų3846.6 Ų46.618%0.17825%0.253CS..EExtended strand (participates in β ladder)trans-84.3111.5163.4172.8166.970.900109.5S59 G62 K126 Y135S59-E142 WeakPolarHBondContact CB-OE2 3.25Å; G62-E142 VanDerWaalsContact C-CB 3.41Å; G62-E142 PolarHBondContact N-OE1 3.08Å; G62-E142 PolarHBondContact O-N 2.97Å; K126-E142 WeakPolarHBondContact CE-OE2 3.45Å; K126-E142 IonicContact NZ-OE2 3.77Å; K126-E142 PolarHBondContact NZ-OE2 3.32Å; Y135-E142 HydrophobicContact CD1-CG 3.61Å; Y135-E142 HydrophobicContact CG-CG 4.08Å
143N98.7Very high98.2Very high30 Ų3041 Ų4116%0.1623%0.227CC..EExtended strand (participates in β ladder)trans-99112.2-177.6-60.8-92.6000109.5V118 Y135 M136 W138 R141V118-N143 HydrophobicContact CG1-CB 4.18Å; V118-N143 HydrophobicContact CG2-CB 4.06Å; Y135-N143 WeakPolarHBondContact CA-O 3.21Å; M136-N143 HydrophobicContact CB-CB 4.4Å; M136-N143 PolarHBondContact N-O 2.9Å; M136-N143 PolarHBondContact O-N 2.69Å; M136-N143 PolarHBondContact O-ND2 2.97Å; W138-N143 WeakPolarHBondContact CB-ND2 3.22Å; W138-N143 PolarHBondContact N-ND2 3.14Å; W138-N143 PolarHBondContact O-ND2 3.21Å; R141-N143 PolarHBondContact O-ND2 3.48Å
144A98.5Very high97.7Very high61 Ų6143.1 Ų43.150%0.50423%0.233SC..EExtended strand (participates in β ladder)trans-77122.2175.300000110.4A134 Y135A134-A144 CarbonylContact O-C 3.48Å; A134-A144 WeakPolarHBondContact O-CA 3.47Å; Y135-A144 HydrophobicContact CD1-CB 4.09Å; Y135-A144 HydrophobicContact CE1-CB 3.98Å
145I98.5Very high96.4Very high20 Ų2048.9 Ų48.910%0.10326%0.258CS..EExtended strand (participates in β ladder)trans-119.4136177.167.1172.8000111.1V118 S133 A134 M136 E147V118-I145 HydrophobicContact CG2-CG2 4.33Å; S133-I145 WeakPolarHBondContact CA-O 3.41Å; S133-I145 WeakPolarHBondContact CB-O 3.08Å; A134-I145 HydrophobicContact CB-CG1 4.05Å; A134-I145 PolarHBondContact N-O 3Å; A134-I145 VanDerWaalsContact N-O 3.08Å; A134-I145 PolarHBondContact O-N 3.38Å; M136-I145 HydrophobicContact CE-CD1 3.53Å; M136-I145 HydrophobicContact CE-CG1 4.11Å; M136-I145 HydrophobicContact CG-CD1 3.71Å; M136-I145 HydrophobicContact CG-CG1 4.17Å; M136-I145 HydrophobicContact CG-CG2 4.49Å; M136-I145 HydrophobicContact SD-CD1 4.4Å; I145-E147 WeakPolarHBondContact CD1-O 3.3Å
146P97.7Very high94.7Very high72 Ų7254.3 Ų54.347%0.46828%0.282SS..SBendtrans-82.3-23.7-177.432.1-35000113.2S91 N92S91-P146 CarbonylContact C-O 3.52Å; S91-P146 WeakPolarHBondContact CA-O 3.43Å; S91-P146 VanDerWaalsContact CB-O 3.29Å; S91-P146 WeakPolarHBondContact CB-O 3.48Å; N92-P146 PolarHBondContact N-O 2.93Å
147E98.5Very high94.5Very high152 Ų15257 Ų5771%0.7130%0.297SS*.EExtended strand (participates in β ladder)trans-120.6132.5-178.3-64.1-176.8179.300110I145I145-E147 WeakPolarHBondContact CD1-O 3.3Å
148Y98.7Very high94.3Very high10 Ų1060 Ų604%0.03931%0.312CS..EExtended strand (participates in β ladder)trans-159.1174.2-173.647.4-95000110.5S90 G93 E94 A114 K115 L127 A134 V150S90-Y148 PolarHBondContact N-O 3.27Å; S90-Y148 PolarHBondContact O-N 2.93Å; G93-Y148 WeakPolarHBondContact CA-OH 3.46Å; G93-Y148 PolarHBondContact N-OH 3.25Å; E94-Y148 PolarHBondContact N-OH 3.13Å; E94-Y148 WeakPolarHBondContact O-CE2 3.48Å; E94-Y148 PolarHBondContact O-OH 2.95Å; A114-Y148 HydrophobicContact CB-CD2 4.26Å; A114-Y148 HydrophobicContact CB-CG 4.5Å; K115-Y148 CarbonylContact O-C 3.43Å; K115-Y148 WeakPolarHBondContact O-CA 3.28Å; K115-Y148 VanDerWaalsContact O-CB 3.3Å; K115-Y148 WeakPolarHBondContact O-CB 3.49Å; L127-Y148 HydrophobicContact CD1-CE1 4.43Å; L127-Y148 HydrophobicContact CD1-CE2 4.39Å; L127-Y148 WeakPolarHBondContact CD1-OH 3.27Å; L127-Y148 HydrophobicContact CD2-CE2 3.71Å; A134-Y148 HydrophobicContact CB-CD1 3.38Å; A134-Y148 HydrophobicContact CB-CD2 4.23Å; A134-Y148 HydrophobicContact CB-CE1 3.85Å; A134-Y148 HydrophobicContact CB-CG 3.6Å; Y148-V150 HydrophobicContact CD2-CG2 3.73Å; Y148-V150 HydrophobicContact CE2-CG2 3.58Å
149E98.8Very high94Very high57 Ų5760.1 Ų60.127%0.26632%0.317SS..EExtended strand (participates in β ladder)trans-114.4137.1165.9-56.2-171.999.500109.5W87 V88 K89 A114 K115W87-E149 HydrophobicContact CB-CB 4.11Å; W87-E149 HydrophobicContact CE3-CB 4.14Å; V88-E149 CarbonylContact O-C 3.54Å; V88-E149 VanDerWaalsContact O-CA 3.29Å; V88-E149 WeakPolarHBondContact O-CA 3.23Å; K89-E149 HydrophobicContact CG-CG 4.17Å; A114-E149 CarbonylContact C-O 3.59Å; A114-E149 WeakPolarHBondContact CA-O 3.15Å; K115-E149 WeakPolarHBondContact CE-OE2 3.34Å; K115-E149 HydrophobicContact CG-CB 4.05Å; K115-E149 PolarHBondContact N-O 3.13Å; K115-E149 IonicContact NZ-OE2 2.8Å; K115-E149 PolarHBondContact NZ-OE2 3.28Å; K115-E149 PolarHBondContact O-N 3.33Å
150V98.9Very high93.9Very high0 Ų060.4 Ų60.40%030%0.302CS..EExtended strand (participates in β ladder)trans-100.1136.8176.6178.20000109.3V88 A99 I113 L127 Y148 V152V88-V150 PolarHBondContact N-O 2.95Å; V88-V150 PolarHBondContact O-N 3.19Å; A99-V150 HydrophobicContact CB-CG1 3.75Å; I113-V150 WeakPolarHBondContact O-CA 3.05Å; L127-V150 HydrophobicContact CD2-CG2 3.99Å; Y148-V150 HydrophobicContact CD2-CG2 3.73Å; Y148-V150 HydrophobicContact CE2-CG2 3.58Å; V150-V152 HydrophobicContact CG1-CG1 4.3Å; V150-V152 PolarHBondContact O-N 2.89Å
151L98.6Very high93.6Very high0 Ų061.4 Ų61.40%029%0.293CS..EExtended strand (participates in β ladder)trans-75.1119.7172.5-16670.3000109.3L73 Y85 W87 I100 I113L73-L151 HydrophobicContact CD2-CD2 3.43Å; L73-L151 VanDerWaalsContact CD2-CD2 3.43Å; Y85-L151 HydrophobicContact CD2-CD1 3.46Å; Y85-L151 VanDerWaalsContact CD2-CD1 3.46Å; Y85-L151 HydrophobicContact CD2-CG 4.47Å; Y85-L151 HydrophobicContact CE2-CD1 4.03Å; Y85-L151 HydrophobicContact CG-CD1 4.31Å; W87-L151 HydrophobicContact CD2-CB 4.42Å; W87-L151 HydrophobicContact CD2-CD1 3.72Å; W87-L151 VanDerWaalsContact CE2-CD1 3.49Å; W87-L151 HydrophobicContact CE3-CB 3.96Å; W87-L151 HydrophobicContact CE3-CD1 4.14Å; W87-L151 HydrophobicContact CG-CD1 4.22Å; W87-L151 HydrophobicContact CH2-CB 3.98Å; W87-L151 HydrophobicContact CH2-CD1 4.18Å; W87-L151 HydrophobicContact CZ2-CB 4.42Å; W87-L151 HydrophobicContact CZ2-CD1 3.75Å; W87-L151 HydrophobicContact CZ3-CB 3.73Å; W87-L151 HydrophobicContact CZ3-CD1 4.36Å; I100-L151 HydrophobicContact CD1-CD2 3.96Å; I100-L151 HydrophobicContact CD1-CG 3.97Å; I100-L151 PolarHBondContact N-O 2.83Å; I113-L151 HydrophobicContact CB-CB 3.95Å; I113-L151 HydrophobicContact CD1-CB 4.38Å; I113-L151 HydrophobicContact CD1-CD2 3.69Å; I113-L151 HydrophobicContact CG2-CB 4.16Å; I113-L151 PolarHBondContact O-N 3.49Å
152V97.6Very high93.3Very high6 Ų655.9 Ų55.94%0.03628%0.276CS..EExtended strand (participates in β ladder)trans-118.3148.5-179.8-51.60000111Y85 E86 V88 P96 H98 V150 K154Y85-V152 VanDerWaalsContact CA-O 3.29Å; Y85-V152 WeakPolarHBondContact CA-O 3.44Å; Y85-V152 WeakPolarHBondContact CB-O 3.48Å; E86-V152 HydrophobicContact CG-CG2 3.52Å; E86-V152 PolarHBondContact N-O 2.99Å; E86-V152 PolarHBondContact O-N 3.5Å; V88-V152 HydrophobicContact CB-CG1 4.29Å; V88-V152 HydrophobicContact CG2-CG1 4.17Å; V88-V152 HydrophobicContact CG2-CG2 3.55Å; P96-V152 HydrophobicContact CB-CG1 3.97Å; P96-V152 HydrophobicContact CG-CG1 3.81Å; H98-V152 WeakPolarHBondContact O-CA 3.35Å; V150-V152 HydrophobicContact CG1-CG1 4.3Å; V150-V152 PolarHBondContact O-N 2.89Å; V152-K154 PolarHBondContact O-N 2.93Å
153W93.5Very high92.9Very high47 Ų4757.2 Ų57.218%0.17828%0.284CS..EExtended strand (participates in β ladder)trans-72.7120.3168.8170.555000109.8M1 G84 H98 I100 K155M1-W153 HydrophobicContact CB-CH2 3.6Å; M1-W153 HydrophobicContact CB-CZ2 3.34Å; M1-W153 HydrophobicContact CB-CZ3 4.49Å; M1-W153 HydrophobicContact CE-CH2 4.02Å; M1-W153 HydrophobicContact CG-CH2 4.46Å; M1-W153 HydrophobicContact CG-CZ2 4.42Å; M1-W153 WeakPolarHBondContact O-CZ2 3.43Å; G84-W153 PolarHBondContact O-NE1 3.17Å; H98-W153 HydrophobicContact CB-CB 4.28Å; H98-W153 HydrophobicContact CB-CE3 4.08Å; H98-W153 AromaticContact CG-CE3 3.93Å; H98-W153 AromaticContact ND1-CE3 3.88Å; H98-W153 PolarHBondContact O-N 2.64Å; I100-W153 HydrophobicContact CD1-CB 4.49Å; I100-W153 HydrophobicContact CG1-CB 4.29Å; W153-K155 HydrophobicContact CH2-CB 3.46Å; W153-K155 VanDerWaalsContact CH2-CB 3.46Å; W153-K155 HydrophobicContact CH2-CD 3.91Å; W153-K155 HydrophobicContact CH2-CG 3.53Å; W153-K155 VanDerWaalsContact CZ2-CA 3.43Å; W153-K155 HydrophobicContact CZ2-CB 3.78Å; W153-K155 HydrophobicContact CZ2-CG 4.12Å; W153-K155 HydrophobicContact CZ3-CB 3.98Å; W153-K155 HydrophobicContact CZ3-CD 4.26Å; W153-K155 HydrophobicContact CZ3-CG 4.27Å; W153-K155 PolarHBondContact O-N 2.66Å
154K88.5Confident92.5Very high70 Ų7059.3 Ų59.330%0.30429%0.293SS..  trans-81.9113.9-178.6-174.4171.1-169.4133.30110.5G84 E86 V152G84-K154 PolarHBondContact O-N 3.1Å; E86-K154 HydrophobicContact CG-CB 4.37Å; E86-K154 HydrophobicContact CG-CD 4.5Å; E86-K154 WeakPolarHBondContact OE1-CG 3.44Å; E86-K154 IonicContact OE1-NZ 3.96Å; E86-K154 IonicContact OE2-NZ 2.78Å; E86-K154 PolarHBondContact OE2-NZ 3.09Å; V152-K154 PolarHBondContact O-N 2.93Å
155K72.1Confident92Very high122 Ų12259.2 Ų59.253%0.5328%0.275SS..  trans-82.7113.6170.9-171.2169.1-179.5-170.30109.5W153W153-K155 HydrophobicContact CH2-CB 3.46Å; W153-K155 VanDerWaalsContact CH2-CB 3.46Å; W153-K155 HydrophobicContact CH2-CD 3.91Å; W153-K155 HydrophobicContact CH2-CG 3.53Å; W153-K155 VanDerWaalsContact CZ2-CA 3.43Å; W153-K155 HydrophobicContact CZ2-CB 3.78Å; W153-K155 HydrophobicContact CZ2-CG 4.12Å; W153-K155 HydrophobicContact CZ3-CB 3.98Å; W153-K155 HydrophobicContact CZ3-CD 4.26Å; W153-K155 HydrophobicContact CZ3-CG 4.27Å; W153-K155 PolarHBondContact O-N 2.66Å
156K62.1Low91.4Very high154 Ų15462.7 Ų62.767%0.6729%0.291SS*.  trans-90.60161.4-68.6-173.7178.7179.80108.8A2 L81A2-K156 HydrophobicContact CB-CD 4.5Å; L81-K156 PolarHBondContact O-NZ 3.15Å

Retrieved 156 of 156 residues in 96.3 ms (Link to these results)

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