G4LXZ2_SCHMA Loading...

Ribonucloprotein

Common component of the spliceosome and rRNA processing machinery.

AlphaFold DB , UniProt , Accession G4LXZ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 127 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.8Very low79.1Confident224 Ų22494.1 Ų94.1100%1.10351%0.514SS*.  0116.20-65175.8-17300106.4L3M1-L3 PolarHBondContact O-N 3.03Å
2T45.7Very low80.6Confident148 Ų14891.8 Ų91.891%0.90850%0.5SS*.  trans-68.390.717345.60000106.5G4T2-G4 PolarHBondContact O-N 3.23Å
3L54.2Low82Confident121 Ų12184.9 Ų84.963%0.63446%0.464SS*.  trans-64.774.5175.2-74.8158.4000107.6M1M1-L3 PolarHBondContact O-N 3.03Å
4G77.7Confident83Confident59 Ų5981.4 Ų81.461%0.60846%0.456SS*.  trans-72144.5171.300000108.4T2 N6T2-G4 PolarHBondContact O-N 3.23Å; G4-N6 PolarHBondContact O-N 3.4Å
5V85.9Confident84Confident55 Ų5583.3 Ų83.333%0.33347%0.474SS..  trans-32.6124.9169.5173.80000110.5L12 A57 P83V5-L12 HydrophobicContact CB-CD2 4.43Å; V5-L12 HydrophobicContact CG1-CD1 3.87Å; V5-L12 HydrophobicContact CG1-CD2 3.54Å; V5-L12 HydrophobicContact CG1-CG 4.32Å; V5-L12 HydrophobicContact CG2-CD2 4.31Å; V5-A57 HydrophobicContact CB-CB 4.2Å; V5-A57 HydrophobicContact CG1-CB 3.51Å; V5-A57 HydrophobicContact CG2-CB 4.3Å; V5-P83 HydrophobicContact CG2-CB 3.97Å
6N90Very high84.8Confident41 Ų4186.4 Ų86.422%0.21948%0.483CS..  trans-64.5130.5177.8-168.8-56.3000109.9G4 R8 A9 A57 L62G4-N6 PolarHBondContact O-N 3.4Å; N6-R8 PolarHBondContact O-N 3.08Å; N6-R8 WeakPolarHBondContact OD1-CB 3.35Å; N6-R8 PolarHBondContact OD1-N 2.96Å; N6-A9 WeakPolarHBondContact O-CB 3.29Å; N6-A9 PolarHBondContact O-N 3.41Å; N6-A57 WeakPolarHBondContact CB-O 3.2Å; N6-A57 PolarHBondContact N-O 2.99Å; N6-L62 HydrophobicContact CB-CD1 4.29Å; N6-L62 HydrophobicContact CB-CD2 3.87Å; N6-L62 HydrophobicContact CB-CG 4.45Å
7P90.3Very high85.6Confident125 Ų12582.4 Ų82.481%0.81246%0.46SS*.THydrogen-bonded Turntrans-63.2-17.1-176.725-35.3000114.1A9P7-A9 VanDerWaalsContact C-N 3.3Å
8R95.2Very high86.3Confident121 Ų12178.8 Ų78.846%0.45744%0.44SS..THydrogen-bonded Turntrans-80.9-7.7174.2-62.8-178.7-63.7169.22113.4N6 Y10 L62 E63N6-R8 PolarHBondContact O-N 3.08Å; N6-R8 WeakPolarHBondContact OD1-CB 3.35Å; N6-R8 PolarHBondContact OD1-N 2.96Å; R8-Y10 PolarHBondContact O-N 2.64Å; R8-Y10 VanDerWaalsContact O-N 3.13Å; R8-L62 HydrophobicContact CB-CD2 3.71Å; R8-E63 IonicContact CZ-OE1 2.77Å; R8-E63 IonicContact NH1-OE1 3.53Å; R8-E63 PolarHBondContact NH1-OE1 2.9Å; R8-E63 IonicContact NH2-OE1 3.2Å; R8-E63 PolarHBondContact NH2-OE1 3.49Å; R8-E63 IonicContact NH2-OE2 2.7Å; R8-E63 PolarHBondContact NH2-OE2 3.18Å
9A97Very high87Confident7 Ų780.5 Ų80.56%0.05845%0.449CS..  trans-79.390.6177.700000110.4N6 P7 A57 L62 F81N6-A9 WeakPolarHBondContact O-CB 3.29Å; N6-A9 PolarHBondContact O-N 3.41Å; P7-A9 VanDerWaalsContact C-N 3.3Å; A9-A57 HydrophobicContact CB-CB 3.52Å; A9-L62 HydrophobicContact CB-CD1 4.41Å; A9-F81 HydrophobicContact CB-CB 4.09Å; A9-F81 HydrophobicContact CB-CD1 3.57Å; A9-F81 HydrophobicContact CB-CD2 4.22Å; A9-F81 HydrophobicContact CB-CE1 3.98Å; A9-F81 HydrophobicContact CB-CG 3.7Å; A9-F81 HydrophobicContact CB-CZ 4.47Å
10Y96.9Very high87.6Confident134 Ų13481.4 Ų81.453%0.52545%0.448SS..  trans-133.2140.8-179.2179.2-93.9000111R8 F81 L125 L126R8-Y10 PolarHBondContact O-N 2.64Å; R8-Y10 VanDerWaalsContact O-N 3.13Å; Y10-F81 WeakPolarHBondContact O-CE2 3.46Å; Y10-L125 PolarHBondContact OH-O 2.86Å; Y10-L125 VanDerWaalsContact OH-O 3.08Å; Y10-L126 HydrophobicContact CD1-CD2 4.47Å; Y10-L126 HydrophobicContact CE1-CD2 3.67Å
11P97.6Very high88.1Confident0 Ų077.5 Ų77.50%043%0.426CS..SBendcis-75.4141.2-6.232.2-32.8000111.5Y79 F81 L125 L126P11-Y79 HydrophobicContact CG-CE2 4.41Å; P11-F81 PolarHBondContact O-N 3.16Å; P11-L125 HydrophobicContact CB-CB 3.81Å; P11-L125 HydrophobicContact CB-CD1 4.16Å; P11-L125 HydrophobicContact CG-CB 4.48Å; P11-L126 HydrophobicContact CB-CD2 4.05Å; P11-L126 HydrophobicContact CG-CD2 3.76Å; P11-L126 HydrophobicContact CG-CG 4.21Å
12L97.6Very high90.9Very high66 Ų6667.9 Ų67.935%0.34638%0.379SS..BIsolated β-bridgetrans-97.7125176.4-174.472.4000110.2V5 G14 A57 F81V5-L12 HydrophobicContact CB-CD2 4.43Å; V5-L12 HydrophobicContact CG1-CD1 3.87Å; V5-L12 HydrophobicContact CG1-CD2 3.54Å; V5-L12 HydrophobicContact CG1-CG 4.32Å; V5-L12 HydrophobicContact CG2-CD2 4.31Å; L12-G14 PolarHBondContact O-N 3.1Å; L12-A57 HydrophobicContact CD1-CB 3.84Å; L12-F81 HydrophobicContact CD1-CB 3.86Å
13A98Very high93.4Very high3 Ų365 Ų653%0.02536%0.355CS..PPolyproline II helixtrans-65.2131.5174.800000111.2L17 T18 I21 V80 F81 I82A13-L17 HydrophobicContact CB-CB 4.2Å; A13-L17 HydrophobicContact CB-CD2 4.03Å; A13-L17 HydrophobicContact CB-CG 4.06Å; A13-T18 WeakPolarHBondContact CB-OG1 3.34Å; A13-T18 PolarHBondContact O-OG1 3.17Å; A13-I21 HydrophobicContact CB-CD1 4.1Å; A13-V80 HydrophobicContact CB-CG2 3.75Å; A13-F81 PolarHBondContact N-O 2.92Å; A13-I82 HydrophobicContact CB-CG2 4.26Å
14G96.6Very high95.5Very high35 Ų3559.3 Ų59.336%0.36133%0.326SS..PPolyproline II helixtrans-62.8170.7167.400000112.6L12 E16 L17 T18L12-G14 PolarHBondContact O-N 3.1Å; G14-E16 VanDerWaalsContact C-N 3.33Å; G14-E16 PolarHBondContact O-N 2.99Å; G14-L17 PolarHBondContact O-N 3.21Å; G14-T18 WeakPolarHBondContact O-CB 3.4Å; G14-T18 PolarHBondContact O-N 3.38Å; G14-T18 PolarHBondContact O-OG1 3.17Å
15P97.1Very high96.5Very high110 Ų11056.5 Ų56.571%0.71430%0.297SS*.Hα-helixtrans-57.1-41.6-175.4-26.434.9000114N19P15-N19 VanDerWaalsContact O-CG 3.3Å; P15-N19 PolarHBondContact O-N 3.32Å; P15-N19 VanDerWaalsContact O-N 3.07Å; P15-N19 PolarHBondContact O-ND2 3.34Å
16E98.1Very high97.1Very high133 Ų13358.5 Ų58.562%0.62130%0.301SS*.Hα-helixtrans-66.2-49.3-179.4-168.4-166.1148.100112G14 T18 N19 K20G14-E16 VanDerWaalsContact C-N 3.33Å; G14-E16 PolarHBondContact O-N 2.99Å; E16-T18 VanDerWaalsContact C-N 3.33Å; E16-T18 PolarHBondContact O-N 3.23Å; E16-N19 PolarHBondContact O-N 3.39Å; E16-K20 PolarHBondContact O-N 3.43Å; E16-K20 VanDerWaalsContact O-N 3.13Å; E16-K20 WeakPolarHBondContact OE1-CE 3.36Å; E16-K20 IonicContact OE1-NZ 2.77Å; E16-K20 PolarHBondContact OE1-NZ 2.84Å
17L98.3Very high97.4Very high19 Ų1959.4 Ų59.410%0.09930%0.304CS..Hα-helixtrans-65.5-38.7178.2-179.559000111.3A13 G14 N19 K20 I21 I122 L125A13-L17 HydrophobicContact CB-CB 4.2Å; A13-L17 HydrophobicContact CB-CD2 4.03Å; A13-L17 HydrophobicContact CB-CG 4.06Å; G14-L17 PolarHBondContact O-N 3.21Å; L17-N19 VanDerWaalsContact C-N 3.31Å; L17-N19 PolarHBondContact O-N 3.37Å; L17-K20 PolarHBondContact O-N 2.92Å; L17-I21 HydrophobicContact CD1-CD1 4.15Å; L17-I21 HydrophobicContact CD1-CG1 4.23Å; L17-I21 HydrophobicContact CD2-CD1 4.42Å; L17-I21 HydrophobicContact CG-CD1 3.78Å; L17-I21 HydrophobicContact CG-CG1 4.35Å; L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3.41Å; L17-I21 PolarHBondContact O-N 2.86Å; L17-I122 HydrophobicContact CD2-CG1 4.46Å; L17-L125 HydrophobicContact CD2-CD1 3.84Å; L17-L125 HydrophobicContact CD2-CG 4.45Å
18T98.6Very high97.8Very high17 Ų1753.5 Ų53.510%0.10427%0.265CS..Hα-helixtrans-56.1-46.1173.9-660000111.1A13 G14 E16 K20 I21 I22 I82A13-T18 WeakPolarHBondContact CB-OG1 3.34Å; A13-T18 PolarHBondContact O-OG1 3.17Å; G14-T18 WeakPolarHBondContact O-CB 3.4Å; G14-T18 PolarHBondContact O-N 3.38Å; G14-T18 PolarHBondContact O-OG1 3.17Å; E16-T18 VanDerWaalsContact C-N 3.33Å; E16-T18 PolarHBondContact O-N 3.23Å; T18-K20 PolarHBondContact O-N 3.08Å; T18-I21 PolarHBondContact O-N 2.83Å; T18-I22 HydrophobicContact CG2-CG1 4.33Å; T18-I22 WeakPolarHBondContact O-CB 3.28Å; T18-I22 VanDerWaalsContact O-CG1 3.27Å; T18-I22 WeakPolarHBondContact O-CG1 3.08Å; T18-I22 PolarHBondContact O-N 3.11Å; T18-I82 HydrophobicContact CG2-CB 4.21Å; T18-I82 HydrophobicContact CG2-CG2 4.23Å
19N98.4Very high97.8Very high112 Ų11249 Ų4960%0.59925%0.253SS*.Hα-helixtrans-63.5-42.8178.5-71.4-24.5000112P15 E16 L17 I22 E23P15-N19 VanDerWaalsContact O-CG 3.3Å; P15-N19 PolarHBondContact O-N 3.32Å; P15-N19 VanDerWaalsContact O-N 3.07Å; P15-N19 PolarHBondContact O-ND2 3.34Å; E16-N19 PolarHBondContact O-N 3.39Å; L17-N19 VanDerWaalsContact C-N 3.31Å; L17-N19 PolarHBondContact O-N 3.37Å; N19-I22 PolarHBondContact O-N 3.3Å; N19-E23 WeakPolarHBondContact O-CB 3.33Å; N19-E23 PolarHBondContact O-N 3.3Å
20K98.5Very high97.7Very high98 Ų9853.5 Ų53.543%0.42628%0.284SS..Hα-helixtrans-60.1-44.8175.2-71.6171.8172.4167.50111.6E16 L17 T18 E23 L24 I118E16-K20 PolarHBondContact O-N 3.43Å; E16-K20 VanDerWaalsContact O-N 3.13Å; E16-K20 WeakPolarHBondContact OE1-CE 3.36Å; E16-K20 IonicContact OE1-NZ 2.77Å; E16-K20 PolarHBondContact OE1-NZ 2.84Å; L17-K20 PolarHBondContact O-N 2.92Å; T18-K20 PolarHBondContact O-N 3.08Å; K20-E23 PolarHBondContact O-N 3.05Å; K20-L24 PolarHBondContact O-N 3.4Å; K20-I118 HydrophobicContact CB-CD1 4.32Å
21I98.7Very high97.6Very high0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-62.1-48.3176.6-70.1163.2000110.8A13 L17 T18 E23 L24 V25 V54 V80 I82 I118A13-I21 HydrophobicContact CB-CD1 4.1Å; L17-I21 HydrophobicContact CD1-CD1 4.15Å; L17-I21 HydrophobicContact CD1-CG1 4.23Å; L17-I21 HydrophobicContact CD2-CD1 4.42Å; L17-I21 HydrophobicContact CG-CD1 3.78Å; L17-I21 HydrophobicContact CG-CG1 4.35Å; L17-I21 VanDerWaalsContact O-CG1 3.29Å; L17-I21 WeakPolarHBondContact O-CG1 3.41Å; L17-I21 PolarHBondContact O-N 2.86Å; T18-I21 PolarHBondContact O-N 2.83Å; I21-E23 VanDerWaalsContact C-N 3.27Å; I21-E23 PolarHBondContact O-N 3.2Å; I21-L24 PolarHBondContact O-N 2.88Å; I21-V25 HydrophobicContact CG2-CG2 4.19Å; I21-V25 WeakPolarHBondContact O-CB 3.36Å; I21-V25 VanDerWaalsContact O-CG2 3.26Å; I21-V25 WeakPolarHBondContact O-CG2 3.33Å; I21-V25 PolarHBondContact O-N 2.92Å; I21-V54 HydrophobicContact CG2-CB 4.48Å; I21-V54 HydrophobicContact CG2-CG1 3.99Å; I21-V54 HydrophobicContact CG2-CG2 3.63Å; I21-V80 HydrophobicContact CD1-CG1 3.63Å; I21-I82 HydrophobicContact CD1-CG2 4.18Å; I21-I82 HydrophobicContact CG2-CG2 4.32Å; I21-I118 HydrophobicContact CG1-CD1 4.43Å; I21-I118 HydrophobicContact CG1-CG2 3.93Å
22I98.5Very high97.5Very high22 Ų2262.1 Ų62.111%0.11332%0.321CS..Hα-helixtrans-59.8-40.5180-73.4-68.6000111.2T18 N19 V25 K26 I82 A87 A91T18-I22 HydrophobicContact CG2-CG1 4.33Å; T18-I22 WeakPolarHBondContact O-CB 3.28Å; T18-I22 VanDerWaalsContact O-CG1 3.27Å; T18-I22 WeakPolarHBondContact O-CG1 3.08Å; T18-I22 PolarHBondContact O-N 3.11Å; N19-I22 PolarHBondContact O-N 3.3Å; I22-V25 PolarHBondContact O-N 3Å; I22-K26 WeakPolarHBondContact O-CG 3.49Å; I22-K26 PolarHBondContact O-N 3.4Å; I22-I82 HydrophobicContact CD1-CD1 3.74Å; I22-I82 HydrophobicContact CG1-CD1 4.44Å; I22-A87 HydrophobicContact CD1-CB 4.24Å; I22-A91 HydrophobicContact CD1-CB 3.83Å; I22-A91 HydrophobicContact CG2-CB 4.07Å
23E98.2Very high97.5Very high86 Ų8659.5 Ų59.540%0.40231%0.307SS..Hα-helixtrans-67.4-44.6177.5-170.351.7-142.300112.1N19 K20 I21 V25 K26 Q27N19-E23 WeakPolarHBondContact O-CB 3.33Å; N19-E23 PolarHBondContact O-N 3.3Å; K20-E23 PolarHBondContact O-N 3.05Å; I21-E23 VanDerWaalsContact C-N 3.27Å; I21-E23 PolarHBondContact O-N 3.2Å; E23-V25 VanDerWaalsContact C-N 3.33Å; E23-V25 PolarHBondContact O-N 3.08Å; E23-K26 WeakPolarHBondContact O-CB 3.39Å; E23-K26 PolarHBondContact O-N 3.28Å; E23-K26 IonicContact OE2-NZ 2.76Å; E23-Q27 WeakPolarHBondContact O-CG 3.46Å; E23-Q27 PolarHBondContact O-N 2.87Å; E23-Q27 VanDerWaalsContact O-N 3.14Å; E23-Q27 PolarHBondContact OE1-NE2 3.38Å
24L98.2Very high97.5Very high3 Ų360.1 Ų60.12%0.01631%0.31CS..Hα-helixtrans-60.3-42.5173.5177.863.5000111.8K20 I21 K26 Q27 A28 F52 L111 L114 V115 I118K20-L24 PolarHBondContact O-N 3.4Å; I21-L24 PolarHBondContact O-N 2.88Å; L24-K26 VanDerWaalsContact C-N 3.34Å; L24-K26 PolarHBondContact O-N 3.25Å; L24-Q27 PolarHBondContact O-N 3.05Å; L24-A28 VanDerWaalsContact O-CB 3.27Å; L24-A28 WeakPolarHBondContact O-CB 3.24Å; L24-A28 PolarHBondContact O-N 3.06Å; L24-F52 HydrophobicContact CD2-CE1 3.79Å; L24-F52 HydrophobicContact CD2-CZ 3.67Å; L24-L111 HydrophobicContact CD1-CB 4.07Å; L24-L111 HydrophobicContact CD1-CD1 4.09Å; L24-L111 HydrophobicContact CD1-CD2 4.34Å; L24-L111 HydrophobicContact CD1-CG 4.41Å; L24-L114 HydrophobicContact CD1-CB 4.05Å; L24-V115 HydrophobicContact CD1-CG2 4.22Å; L24-V115 HydrophobicContact CD2-CG2 3.92Å; L24-I118 HydrophobicContact CB-CD1 3.74Å; L24-I118 HydrophobicContact CD2-CD1 3.47Å; L24-I118 VanDerWaalsContact CD2-CD1 3.47Å; L24-I118 HydrophobicContact CG-CD1 4.22Å
25V98.5Very high97.6Very high0 Ų063 Ų630%031%0.313CS..Hα-helixtrans-61.8-41.5178.31690000110.9I21 I22 E23 Q27 A28 S29 L34 L88 A91I21-V25 HydrophobicContact CG2-CG2 4.19Å; I21-V25 WeakPolarHBondContact O-CB 3.36Å; I21-V25 VanDerWaalsContact O-CG2 3.26Å; I21-V25 WeakPolarHBondContact O-CG2 3.33Å; I21-V25 PolarHBondContact O-N 2.92Å; I22-V25 PolarHBondContact O-N 3Å; E23-V25 VanDerWaalsContact C-N 3.33Å; E23-V25 PolarHBondContact O-N 3.08Å; V25-Q27 PolarHBondContact O-N 2.94Å; V25-A28 PolarHBondContact O-N 3.33Å; V25-S29 WeakPolarHBondContact O-CB 3.34Å; V25-S29 PolarHBondContact O-N 3.45Å; V25-L34 HydrophobicContact CG1-CD1 3.84Å; V25-L34 WeakPolarHBondContact O-CD1 3.25Å; V25-L88 HydrophobicContact CG1-CD1 4.33Å; V25-A91 HydrophobicContact CB-CB 4.1Å; V25-A91 HydrophobicContact CG1-CB 3.65Å
26K98.1Very high97.6Very high96 Ų9661.1 Ų61.142%0.41729%0.293SS..Hα-helixtrans-58.3-49174.4-73.2167.3-180172.20111.7I22 E23 L24 S29 S30 A91I22-K26 WeakPolarHBondContact O-CG 3.49Å; I22-K26 PolarHBondContact O-N 3.4Å; E23-K26 WeakPolarHBondContact O-CB 3.39Å; E23-K26 PolarHBondContact O-N 3.28Å; E23-K26 IonicContact OE2-NZ 2.76Å; L24-K26 VanDerWaalsContact C-N 3.34Å; L24-K26 PolarHBondContact O-N 3.25Å; K26-S29 WeakPolarHBondContact O-CB 3.5Å; K26-S29 PolarHBondContact O-N 3.46Å; K26-S30 PolarHBondContact O-N 3.23Å; K26-A91 VanDerWaalsContact CA-O 3.31Å; K26-A91 WeakPolarHBondContact CA-O 3.41Å; K26-A91 HydrophobicContact CG-CB 4.08Å
27Q97.5Very high97.6Very high61 Ų6155.8 Ų55.829%0.28527%0.274SS..Hα-helixtrans-63.1-49.7179.1-64.6177.134.700110.7E23 L24 V25 S29 S30 Y31 L111E23-Q27 WeakPolarHBondContact O-CG 3.46Å; E23-Q27 PolarHBondContact O-N 2.87Å; E23-Q27 VanDerWaalsContact O-N 3.14Å; E23-Q27 PolarHBondContact OE1-NE2 3.38Å; L24-Q27 PolarHBondContact O-N 3.05Å; V25-Q27 PolarHBondContact O-N 2.94Å; Q27-S29 PolarHBondContact O-N 3Å; Q27-S30 WeakPolarHBondContact O-CB 3.29Å; Q27-S30 PolarHBondContact O-N 3.11Å; Q27-Y31 WeakPolarHBondContact O-CD2 3.44Å; Q27-Y31 PolarHBondContact O-N 2.74Å; Q27-Y31 VanDerWaalsContact O-N 3.09Å; Q27-L111 HydrophobicContact CB-CD1 4.21Å; Q27-L111 HydrophobicContact CB-CD2 3.87Å; Q27-L111 VanDerWaalsContact OE1-CD2 3.29Å
28A97.6Very high97.6Very high0 Ų055.3 Ų55.30%027%0.273CS..Hα-helixtrans-59.2-32.2178.800000112.7L24 V25 Y31 K32 Q33 L34 L111L24-A28 VanDerWaalsContact O-CB 3.27Å; L24-A28 WeakPolarHBondContact O-CB 3.24Å; L24-A28 PolarHBondContact O-N 3.06Å; V25-A28 PolarHBondContact O-N 3.33Å; A28-Y31 CarbonylContact O-C 3.53Å; A28-Y31 PolarHBondContact O-N 3.19Å; A28-K32 PolarHBondContact O-N 3.39Å; A28-K32 VanDerWaalsContact O-N 3.13Å; A28-Q33 HydrophobicContact CB-CB 4.25Å; A28-Q33 PolarHBondContact O-N 2.96Å; A28-L34 HydrophobicContact CB-CD2 3.54Å; A28-L34 HydrophobicContact CB-CG 3.83Å; A28-L111 HydrophobicContact CB-CD1 3.87Å
29S96.5Very high97.6Very high28 Ų2860.3 Ų60.320%0.19630%0.299CS..Hα-helixtrans-61.9-44.2173.6-169.60000111.5V25 K26 Q27 K32 K36 C92V25-S29 WeakPolarHBondContact O-CB 3.34Å; V25-S29 PolarHBondContact O-N 3.45Å; K26-S29 WeakPolarHBondContact O-CB 3.5Å; K26-S29 PolarHBondContact O-N 3.46Å; Q27-S29 PolarHBondContact O-N 3Å; S29-K32 PolarHBondContact O-N 3Å; S29-K36 PolarHBondContact OG-NZ 2.94Å; S29-C92 PolarHBondContact OG-O 3.2Å; S29-C92 VanDerWaalsContact OG-O 3.13Å
30S95Very high97.6Very high101 Ų10158.3 Ų58.371%0.70629%0.286SS*.Hα-helixtrans-65.4-37.6177.2-590000112.5K26 Q27 K32K26-S30 PolarHBondContact O-N 3.23Å; Q27-S30 WeakPolarHBondContact O-CB 3.29Å; Q27-S30 PolarHBondContact O-N 3.11Å; S30-K32 PolarHBondContact O-N 3.47Å
31Y94.9Very high97.6Very high124 Ų12453.7 Ų53.749%0.48627%0.266SS..THydrogen-bonded Turntrans-80.54.4175.5-67.9-75.8000114.1Q27 A28 Q33 Q110 L111Q27-Y31 WeakPolarHBondContact O-CD2 3.44Å; Q27-Y31 PolarHBondContact O-N 2.74Å; Q27-Y31 VanDerWaalsContact O-N 3.09Å; A28-Y31 CarbonylContact O-C 3.53Å; A28-Y31 PolarHBondContact O-N 3.19Å; Y31-Q33 PolarHBondContact O-N 3.45Å; Y31-Q110 PolarHBondContact OH-OE1 2.71Å; Y31-L111 HydrophobicContact CD2-CD1 3.81Å; Y31-L111 HydrophobicContact CD2-CD2 4.28Å; Y31-L111 HydrophobicContact CD2-CG 4.08Å; Y31-L111 HydrophobicContact CE2-CD1 4.44Å; Y31-L111 HydrophobicContact CE2-CD2 4.09Å; Y31-L111 HydrophobicContact CE2-CG 4.31Å
32K95.1Very high97.6Very high190 Ų19055 Ų5583%0.82627%0.274SS*.THydrogen-bonded Turntrans57.828.3-176.8-53.4179.7-178.9174.90113.8A28 S29 S30 L34A28-K32 PolarHBondContact O-N 3.39Å; A28-K32 VanDerWaalsContact O-N 3.13Å; S29-K32 PolarHBondContact O-N 3Å; S30-K32 PolarHBondContact O-N 3.47Å; K32-L34 VanDerWaalsContact C-N 3.35Å; K32-L34 PolarHBondContact O-N 3.48Å
33Q97.3Very high97.6Very high12 Ų1258.4 Ų58.46%0.05629%0.288CS..  trans-97.231.8179.3-66.5-172.2-101.100112.9A28 Y31 T104 S109A28-Q33 HydrophobicContact CB-CB 4.25Å; A28-Q33 PolarHBondContact O-N 2.96Å; Y31-Q33 PolarHBondContact O-N 3.45Å; Q33-T104 WeakPolarHBondContact CA-OG1 3.26Å; Q33-T104 PolarHBondContact NE2-O 3.44Å; Q33-T104 PolarHBondContact O-N 3.04Å; Q33-T104 PolarHBondContact O-OG1 3.36Å; Q33-S109 PolarHBondContact NE2-OG 3.26Å; Q33-S109 PolarHBondContact OE1-OG 3.42Å
34L97.7Very high97.6Very high15 Ų1554.6 Ų54.68%0.07927%0.271CS..EExtended strand (participates in β ladder)trans-128144.2179.4-65.2-173.8000112.4V25 A28 K32 K36 V101 A102 V103V25-L34 HydrophobicContact CG1-CD1 3.84Å; V25-L34 WeakPolarHBondContact O-CD1 3.25Å; A28-L34 HydrophobicContact CB-CD2 3.54Å; A28-L34 HydrophobicContact CB-CG 3.83Å; K32-L34 VanDerWaalsContact C-N 3.35Å; K32-L34 PolarHBondContact O-N 3.48Å; L34-K36 HydrophobicContact CB-CG 4.45Å; L34-V101 HydrophobicContact CB-CG1 4.32Å; L34-V101 HydrophobicContact CD1-CG1 4.24Å; L34-V101 HydrophobicContact CD2-CG1 3.63Å; L34-V101 HydrophobicContact CG-CG1 4.29Å; L34-A102 WeakPolarHBondContact CA-O 3.39Å; L34-V103 HydrophobicContact CD2-CB 4.41Å; L34-V103 HydrophobicContact CD2-CG2 3.83Å
35K98.4Very high97.6Very high97 Ų9754.6 Ų54.642%0.42227%0.271SS..EExtended strand (participates in β ladder)trans-116.5126.3161.6-60.3-62177.7-170.40109.1E40 A44 V101 A102 T104K35-E40 HydrophobicContact CB-CB 4.04Å; K35-A44 HydrophobicContact CB-CB 4.39Å; K35-A44 HydrophobicContact CG-CB 4.13Å; K35-V101 CarbonylContact O-C 3.57Å; K35-V101 VanDerWaalsContact O-CA 3.29Å; K35-V101 WeakPolarHBondContact O-CA 3.42Å; K35-A102 HydrophobicContact CB-CB 4.22Å; K35-A102 PolarHBondContact N-O 3.41Å; K35-A102 PolarHBondContact O-N 3.3Å; K35-T104 HydrophobicContact CG-CG2 3.73Å
36K98.1Very high97.6Very high69 Ų6959 Ų5930%0.330%0.295SS..EExtended strand (participates in β ladder)trans-111.7123.3-164.9-56170.8-174.1-177.40110.3S29 L34 C92S29-K36 PolarHBondContact OG-NZ 2.94Å; L34-K36 HydrophobicContact CB-CG 4.45Å; K36-C92 HydrophobicContact CD-CB 3.97Å; K36-C92 HydrophobicContact CG-CB 4.4Å; K36-C92 PolarHBondContact NZ-O 3.11Å
37G98.2Very high97.6Very high21 Ų2163.2 Ų63.222%0.21631%0.308CS..SBendtrans104.5155.5-178.100000113.3N39 E40 A41 A100G37-N39 PolarHBondContact O-N 2.92Å; G37-E40 PolarHBondContact O-N 2.99Å; G37-A41 WeakPolarHBondContact O-CB 3.4Å; G37-A41 PolarHBondContact O-N 3.4Å; G37-A100 WeakPolarHBondContact CA-O 3.16Å; G37-A100 PolarHBondContact N-O 2.99Å
38A98.3Very high97.5Very high10 Ų1063.4 Ų63.48%0.08333%0.326CS..Hα-helixtrans-58.3-42.8-176.700000113.2E40 A41 T42 I64 V65 L68A38-E40 PolarHBondContact O-N 3.13Å; A38-A41 PolarHBondContact O-N 2.96Å; A38-T42 WeakPolarHBondContact O-CB 3.46Å; A38-T42 PolarHBondContact O-N 2.77Å; A38-T42 PolarHBondContact O-OG1 2.91Å; A38-I64 HydrophobicContact CB-CG2 4.14Å; A38-V65 HydrophobicContact CB-CG1 4.32Å; A38-L68 HydrophobicContact CB-CD1 4.42Å
39N98.3Very high97.5Very high122 Ų12269.6 Ų69.665%0.65235%0.353SS*.Hα-helixtrans-64.7-41.1177.5-69.1-12.9000112.3G37 T42 K43G37-N39 PolarHBondContact O-N 2.92Å; N39-T42 WeakPolarHBondContact O-CB 3.5Å; N39-T42 PolarHBondContact O-N 2.88Å; N39-K43 WeakPolarHBondContact O-CG 3.44Å; N39-K43 PolarHBondContact O-N 2.92Å
40E98.5Very high97.6Very high70 Ų7068.8 Ų68.833%0.32735%0.348SS..Hα-helixtrans-73.6-33.2-179.8-63.2-55.3131.500111.7K35 G37 A38 K43 A44K35-E40 HydrophobicContact CB-CB 4.04Å; G37-E40 PolarHBondContact O-N 2.99Å; A38-E40 PolarHBondContact O-N 3.13Å; E40-K43 PolarHBondContact O-N 3.1Å; E40-K43 IonicContact OE1-NZ 2.88Å; E40-K43 PolarHBondContact OE1-NZ 3.13Å; E40-K43 IonicContact OE2-NZ 2.68Å; E40-A44 WeakPolarHBondContact O-CB 3.49Å; E40-A44 PolarHBondContact O-N 2.93Å
41A98.7Very high97.8Very high0 Ų065.5 Ų65.50%032%0.322CS..Hα-helixtrans-62.6-46.3169.100000111.7G37 A38 K43 A44 L45 I53 L68 A100 A102G37-A41 WeakPolarHBondContact O-CB 3.4Å; G37-A41 PolarHBondContact O-N 3.4Å; A38-A41 PolarHBondContact O-N 2.96Å; A41-K43 VanDerWaalsContact C-N 3.34Å; A41-K43 PolarHBondContact O-N 3.05Å; A41-A44 WeakPolarHBondContact O-CB 3.45Å; A41-A44 PolarHBondContact O-N 3.02Å; A41-A44 VanDerWaalsContact O-N 3.11Å; A41-L45 WeakPolarHBondContact O-CG 3.47Å; A41-L45 PolarHBondContact O-N 2.83Å; A41-I53 HydrophobicContact CB-CD1 4.24Å; A41-L68 HydrophobicContact CB-CD1 4.26Å; A41-L68 HydrophobicContact CB-CD2 4.13Å; A41-A100 HydrophobicContact CB-CB 4.4Å; A41-A102 HydrophobicContact CB-CB 4.29Å
42T98.6Very high97.9Very high27 Ų2759.6 Ų59.617%0.16630%0.299CS..Hα-helixtrans-57-46.1175.7-54.50000111.4A38 N39 A44 L45 N46 H67 L68 L71A38-T42 WeakPolarHBondContact O-CB 3.46Å; A38-T42 PolarHBondContact O-N 2.77Å; A38-T42 PolarHBondContact O-OG1 2.91Å; N39-T42 WeakPolarHBondContact O-CB 3.5Å; N39-T42 PolarHBondContact O-N 2.88Å; T42-A44 PolarHBondContact O-N 3.42Å; T42-L45 PolarHBondContact O-N 3.2Å; T42-N46 WeakPolarHBondContact O-CB 3.22Å; T42-N46 PolarHBondContact O-N 3.06Å; T42-N46 PolarHBondContact O-ND2 2.87Å; T42-H67 PolarHBondContact OG1-NE2 2.94Å; T42-L68 WeakPolarHBondContact OG1-CD2 3.48Å; T42-L71 HydrophobicContact CG2-CD2 3.79Å
43K98.6Very high98.1Very high94 Ų9450.5 Ų50.541%0.40926%0.259SS..Hα-helixtrans-62.9-40175.8-71.5173.1-171.1167.40112.4N39 E40 A41 N46 R47N39-K43 WeakPolarHBondContact O-CG 3.44Å; N39-K43 PolarHBondContact O-N 2.92Å; E40-K43 PolarHBondContact O-N 3.1Å; E40-K43 IonicContact OE1-NZ 2.88Å; E40-K43 PolarHBondContact OE1-NZ 3.13Å; E40-K43 IonicContact OE2-NZ 2.68Å; A41-K43 VanDerWaalsContact C-N 3.34Å; A41-K43 PolarHBondContact O-N 3.05Å; K43-N46 PolarHBondContact O-N 3.06Å; K43-R47 WeakPolarHBondContact O-CB 3.43Å; K43-R47 VanDerWaalsContact O-CG 3.25Å; K43-R47 WeakPolarHBondContact O-CG 3.14Å; K43-R47 PolarHBondContact O-N 2.98Å
44A98.4Very high98.2Very high7 Ų750 Ų506%0.05826%0.257CS..Hα-helixtrans-65.1-43.917900000111.8K35 E40 A41 T42 R47 G48 K49 A50 A102 T104K35-A44 HydrophobicContact CB-CB 4.39Å; K35-A44 HydrophobicContact CG-CB 4.13Å; E40-A44 WeakPolarHBondContact O-CB 3.49Å; E40-A44 PolarHBondContact O-N 2.93Å; A41-A44 WeakPolarHBondContact O-CB 3.45Å; A41-A44 PolarHBondContact O-N 3.02Å; A41-A44 VanDerWaalsContact O-N 3.11Å; T42-A44 PolarHBondContact O-N 3.42Å; A44-R47 PolarHBondContact O-N 3.24Å; A44-G48 PolarHBondContact O-N 3.28Å; A44-K49 PolarHBondContact O-N 2.83Å; A44-A50 HydrophobicContact CB-CB 4.18Å; A44-A102 HydrophobicContact CB-CB 3.78Å; A44-T104 HydrophobicContact CB-CG2 4.5Å
45L98.1Very high98.2Very high2 Ų249.2 Ų49.21%0.0125%0.253CS..Hα-helixtrans-58.6-50.7172.3-75.5167000111.4A41 T42 R47 G48 A50 I53 L68 L71 K75 V77A41-L45 WeakPolarHBondContact O-CG 3.47Å; A41-L45 PolarHBondContact O-N 2.83Å; T42-L45 PolarHBondContact O-N 3.2Å; L45-R47 PolarHBondContact O-N 3.45Å; L45-G48 PolarHBondContact O-N 2.99Å; L45-A50 HydrophobicContact CD2-CB 4.02Å; L45-A50 HydrophobicContact CG-CB 4.29Å; L45-I53 HydrophobicContact CD1-CD1 4.24Å; L45-I53 HydrophobicContact CD1-CG1 4.02Å; L45-I53 HydrophobicContact CD2-CD1 4.17Å; L45-I53 HydrophobicContact CD2-CG1 3.95Å; L45-I53 HydrophobicContact CG-CD1 3.99Å; L45-I53 HydrophobicContact CG-CG1 4.1Å; L45-L68 HydrophobicContact CD1-CD2 3.95Å; L45-L71 HydrophobicContact CB-CD2 3.95Å; L45-L71 HydrophobicContact CB-CG 4.19Å; L45-L71 HydrophobicContact CD1-CB 4.24Å; L45-L71 HydrophobicContact CD1-CD2 3.7Å; L45-L71 HydrophobicContact CD1-CG 3.88Å; L45-L71 HydrophobicContact CG-CD2 4.5Å; L45-K75 HydrophobicContact CB-CD 3.89Å; L45-K75 HydrophobicContact CD2-CD 4.45Å; L45-K75 VanDerWaalsContact O-CD 3.29Å; L45-K75 WeakPolarHBondContact O-CD 3.38Å; L45-K75 WeakPolarHBondContact O-CE 3.49Å; L45-K75 PolarHBondContact O-NZ 3.23Å; L45-V77 HydrophobicContact CD2-CB 3.77Å; L45-V77 HydrophobicContact CD2-CG1 3.74Å; L45-V77 HydrophobicContact CD2-CG2 3.86Å
46N97.8Very high98.2Very high92 Ų9244.6 Ų44.649%0.49223%0.233SC..Hα-helixtrans-61.4-28.9-179.6-75.6-24.1000113.6T42 K43 K75T42-N46 WeakPolarHBondContact O-CB 3.22Å; T42-N46 PolarHBondContact O-N 3.06Å; T42-N46 PolarHBondContact O-ND2 2.87Å; K43-N46 PolarHBondContact O-N 3.06Å; N46-K75 WeakPolarHBondContact OD1-CE 3.34Å
47R97.3Very high98.2Very high185 Ų18541.3 Ų41.370%0.69822%0.218SC*.THydrogen-bonded Turntrans-89.41176.9-68.2171.9178.4178-1.9114K43 A44 L45 K49K43-R47 WeakPolarHBondContact O-CB 3.43Å; K43-R47 VanDerWaalsContact O-CG 3.25Å; K43-R47 WeakPolarHBondContact O-CG 3.14Å; K43-R47 PolarHBondContact O-N 2.98Å; A44-R47 PolarHBondContact O-N 3.24Å; L45-R47 PolarHBondContact O-N 3.45Å; R47-K49 VanDerWaalsContact C-N 3.26Å; R47-K49 HydrophobicContact CB-CG 4.1Å; R47-K49 PolarHBondContact O-N 2.91Å
48G96.6Very high98.2Very high65 Ų6541.8 Ų41.867%0.6722%0.216SC*.THydrogen-bonded Turntrans61.734.3-176.700000112.9A44 L45A44-G48 PolarHBondContact O-N 3.28Å; L45-G48 PolarHBondContact O-N 2.99Å
49K97.4Very high98Very high130 Ų13041.8 Ų41.857%0.56521%0.214SC*.  trans-108.7-7.5-178.5-66.7-60.9-179.4-173.40113.8A44 R47 T104 D105A44-K49 PolarHBondContact O-N 2.83Å; R47-K49 VanDerWaalsContact C-N 3.26Å; R47-K49 HydrophobicContact CB-CG 4.1Å; R47-K49 PolarHBondContact O-N 2.91Å; K49-T104 CarbonylContact O-C 3.49Å; K49-T104 WeakPolarHBondContact O-CA 3.26Å; K49-T104 VanDerWaalsContact O-CB 3.26Å; K49-T104 WeakPolarHBondContact O-CB 3.13Å; K49-D105 PolarHBondContact O-N 2.89Å
50A98.4Very high97.8Very high11 Ų1142.2 Ų42.29%0.09122%0.217CC..EExtended strand (participates in β ladder)trans-88.9128.3179.600000110.4A44 L45 I53 V77 A102A44-A50 HydrophobicContact CB-CB 4.18Å; L45-A50 HydrophobicContact CD2-CB 4.02Å; L45-A50 HydrophobicContact CG-CB 4.29Å; A50-I53 HydrophobicContact CB-CD1 3.83Å; A50-V77 HydrophobicContact CB-CG1 4.35Å; A50-A102 HydrophobicContact CB-CB 4.07Å
51E98Very high97.7Very high32 Ų3241.9 Ų41.915%0.1522%0.22CC..EExtended strand (participates in β ladder)trans-82.1-41.8171.2-72.9-77.2138.300110.9P78 V103 D105 K112 V115 Q119E51-P78 WeakPolarHBondContact O-CD 3.21Å; E51-V103 PolarHBondContact N-O 3.04Å; E51-D105 HydrophobicContact CG-CB 3.79Å; E51-D105 WeakPolarHBondContact OE1-CB 3.2Å; E51-D105 VanDerWaalsContact OE1-OD1 3.13Å; E51-K112 IonicContact OE1-NZ 3.99Å; E51-K112 PolarHBondContact OE1-NZ 3.38Å; E51-K112 IonicContact OE2-NZ 2.88Å; E51-K112 PolarHBondContact OE2-NZ 2.99Å; E51-V115 HydrophobicContact CB-CG1 3.81Å; E51-V115 HydrophobicContact CG-CG1 4.06Å; E51-Q119 PolarHBondContact O-NE2 3.38Å; E51-Q119 PolarHBondContact OE2-NE2 3.37Å
52F98.5Very high97.6Very high0 Ų041.9 Ų41.90%022%0.221CC..EExtended strand (participates in β ladder)trans-160163.5170.269.4-84.3000110.4L24 V54 P78 V103 V115 I118 Q119 I122L24-F52 HydrophobicContact CD2-CE1 3.79Å; L24-F52 HydrophobicContact CD2-CZ 3.67Å; F52-V54 HydrophobicContact CD2-CG2 3.94Å; F52-V54 HydrophobicContact CE2-CG2 3.45Å; F52-V54 VanDerWaalsContact CE2-CG2 3.45Å; F52-V54 HydrophobicContact CZ-CG2 4.5Å; F52-P78 CarbonylContact C-O 3.58Å; F52-P78 WeakPolarHBondContact CA-O 3.4Å; F52-P78 HydrophobicContact CB-CB 4.01Å; F52-P78 WeakPolarHBondContact CB-O 3.47Å; F52-V103 HydrophobicContact CD1-CB 3.99Å; F52-V103 HydrophobicContact CD1-CG1 4.45Å; F52-V103 HydrophobicContact CD1-CG2 4.39Å; F52-V103 HydrophobicContact CE1-CB 3.58Å; F52-V103 HydrophobicContact CE1-CG1 3.82Å; F52-V103 HydrophobicContact CE1-CG2 3.68Å; F52-V103 HydrophobicContact CE2-CG2 3.91Å; F52-V103 HydrophobicContact CZ-CB 3.88Å; F52-V103 HydrophobicContact CZ-CG1 4.35Å; F52-V103 HydrophobicContact CZ-CG2 3.39Å; F52-V103 PolarHBondContact O-N 2.97Å; F52-V103 VanDerWaalsContact O-N 3.1Å; F52-V115 HydrophobicContact CD1-CG1 4.19Å; F52-V115 HydrophobicContact CE1-CG1 4.17Å; F52-I118 HydrophobicContact CE1-CG2 4.29Å; F52-I118 HydrophobicContact CE2-CG2 3.99Å; F52-I118 HydrophobicContact CZ-CG2 3.86Å; F52-Q119 HydrophobicContact CB-CG 4.3Å; F52-Q119 HydrophobicContact CD1-CG 4.18Å; F52-I122 HydrophobicContact CB-CD1 4.46Å; F52-I122 HydrophobicContact CD2-CD1 3.74Å; F52-I122 HydrophobicContact CE2-CD1 4.25Å; F52-I122 HydrophobicContact CG-CD1 4.25Å
53I98.8Very high97.5Very high0 Ų045.4 Ų45.40%024%0.235CC..EExtended strand (participates in β ladder)trans-113.7134.8-179.2-57.4-55.8000111.2A41 L45 A50 M55 L68 C72 V77 P78 Y79 V80 A102A41-I53 HydrophobicContact CB-CD1 4.24Å; L45-I53 HydrophobicContact CD1-CD1 4.24Å; L45-I53 HydrophobicContact CD1-CG1 4.02Å; L45-I53 HydrophobicContact CD2-CD1 4.17Å; L45-I53 HydrophobicContact CD2-CG1 3.95Å; L45-I53 HydrophobicContact CG-CD1 3.99Å; L45-I53 HydrophobicContact CG-CG1 4.1Å; A50-I53 HydrophobicContact CB-CD1 3.83Å; I53-M55 HydrophobicContact CG2-CE 4.4Å; I53-M55 HydrophobicContact CG2-CG 4.03Å; I53-M55 HydrophobicContact CG2-SD 4.42Å; I53-L68 HydrophobicContact CG2-CD1 4.3Å; I53-C72 WeakPolarHBondContact CG1-SG 3.12Å; I53-V77 HydrophobicContact CG1-CG1 4.43Å; I53-P78 PolarHBondContact N-O 2.83Å; I53-Y79 CarbonylContact O-C 3.6Å; I53-Y79 VanDerWaalsContact O-CA 3.27Å; I53-Y79 WeakPolarHBondContact O-CA 3.24Å; I53-V80 PolarHBondContact O-N 3.45Å; I53-A102 HydrophobicContact CD1-CB 3.34Å
54V98.8Very high97.4Very high0 Ų044.6 Ų44.60%023%0.234CC..EExtended strand (participates in β ladder)trans-110.9128.2170.9-174.50000108.6I21 F52 V80 I82 L88 A100 V101I21-V54 HydrophobicContact CG2-CB 4.48Å; I21-V54 HydrophobicContact CG2-CG1 3.99Å; I21-V54 HydrophobicContact CG2-CG2 3.63Å; F52-V54 HydrophobicContact CD2-CG2 3.94Å; F52-V54 HydrophobicContact CE2-CG2 3.45Å; F52-V54 VanDerWaalsContact CE2-CG2 3.45Å; F52-V54 HydrophobicContact CZ-CG2 4.5Å; V54-V80 CarbonylContact C-O 3.44Å; V54-V80 WeakPolarHBondContact CA-O 3.35Å; V54-V80 HydrophobicContact CG2-CG1 4.42Å; V54-I82 HydrophobicContact CG1-CB 4.46Å; V54-I82 HydrophobicContact CG1-CD1 4Å; V54-I82 HydrophobicContact CG1-CG1 3.83Å; V54-I82 HydrophobicContact CG1-CG2 3.89Å; V54-L88 HydrophobicContact CG1-CD1 4.01Å; V54-L88 HydrophobicContact CG1-CD2 4.19Å; V54-A100 CarbonylContact O-C 3.57Å; V54-A100 WeakPolarHBondContact O-CA 3.43Å; V54-V101 PolarHBondContact N-O 3.44Å; V54-V101 PolarHBondContact O-N 2.75Å
55M98.7Very high97.4Very high0 Ų044.2 Ų44.20%023%0.232CC..EExtended strand (participates in β ladder)trans-119.5152.5175.9-68.7162.6-71.600110.3I53 V65 L68 P69 Y79 V80 F81 I82 A99 A100I53-M55 HydrophobicContact CG2-CE 4.4Å; I53-M55 HydrophobicContact CG2-CG 4.03Å; I53-M55 HydrophobicContact CG2-SD 4.42Å; M55-V65 HydrophobicContact CB-CB 4.45Å; M55-V65 HydrophobicContact CB-CG2 4.42Å; M55-V65 HydrophobicContact CG-CB 4.1Å; M55-V65 HydrophobicContact CG-CG1 4.43Å; M55-V65 HydrophobicContact SD-CB 4.13Å; M55-L68 HydrophobicContact CG-CD1 3.94Å; M55-L68 HydrophobicContact SD-CB 3.58Å; M55-L68 VanDerWaalsContact SD-CB 3.58Å; M55-L68 HydrophobicContact SD-CD1 3.97Å; M55-L68 HydrophobicContact SD-CG 4.41Å; M55-P69 HydrophobicContact CE-CG 4.01Å; M55-P69 HydrophobicContact SD-CG 4.1Å; M55-Y79 HydrophobicContact CE-CD2 3.59Å; M55-Y79 HydrophobicContact CE-CG 4.17Å; M55-V80 PolarHBondContact N-O 2.83Å; M55-F81 HydrophobicContact CB-CD1 3.54Å; M55-F81 HydrophobicContact CB-CE1 3.55Å; M55-F81 HydrophobicContact CB-CG 4.16Å; M55-F81 HydrophobicContact CB-CZ 4.16Å; M55-F81 HydrophobicContact CE-CD2 4.05Å; M55-F81 HydrophobicContact CE-CE1 4.39Å; M55-F81 HydrophobicContact CE-CE2 3.66Å; M55-F81 HydrophobicContact CE-CZ 3.85Å; M55-F81 HydrophobicContact CG-CE1 4.38Å; M55-F81 CarbonylContact O-C 3.59Å; M55-F81 VanDerWaalsContact O-CA 3.24Å; M55-F81 WeakPolarHBondContact O-CA 3.29Å; M55-F81 HydrophobicContact SD-CE1 4.06Å; M55-F81 HydrophobicContact SD-CE2 4.2Å; M55-F81 HydrophobicContact SD-CZ 3.74Å; M55-I82 PolarHBondContact O-N 2.87Å; M55-A99 WeakPolarHBondContact CA-O 3.27Å; M55-A100 HydrophobicContact CG-CB 3.97Å
56A98.3Very high97.4Very high0 Ų046.5 Ų46.50%024%0.244CC..EExtended strand (participates in β ladder)trans-92.9139.6172.600000111.5I59 I82 Q85 A99A56-I59 HydrophobicContact CB-CD1 3.93Å; A56-I59 HydrophobicContact CB-CG1 3.77Å; A56-I59 WeakPolarHBondContact O-CD1 3.42Å; A56-I59 WeakPolarHBondContact O-CG1 3.1Å; A56-I82 CarbonylContact C-O 3.54Å; A56-I82 WeakPolarHBondContact CA-O 3.2Å; A56-Q85 HydrophobicContact CB-CB 3.46Å; A56-Q85 VanDerWaalsContact CB-CB 3.46Å; A56-A99 PolarHBondContact N-O 3.09Å
57A97.9Very high97.4Very high0 Ų045.7 Ų45.70%024%0.237CC..SBendtrans-90.7-15.2-175.900000114.3V5 N6 A9 L12 F81 I82V5-A57 HydrophobicContact CB-CB 4.2Å; V5-A57 HydrophobicContact CG1-CB 3.51Å; V5-A57 HydrophobicContact CG2-CB 4.3Å; N6-A57 WeakPolarHBondContact CB-O 3.2Å; N6-A57 PolarHBondContact N-O 2.99Å; A9-A57 HydrophobicContact CB-CB 3.52Å; L12-A57 HydrophobicContact CD1-CB 3.84Å; A57-F81 HydrophobicContact CB-CB 4.34Å; A57-F81 HydrophobicContact CB-CD1 4.4Å; A57-I82 WeakPolarHBondContact CB-O 3.38Å; A57-I82 PolarHBondContact N-O 3.49Å
58D96.9Very high97.5Very high30 Ų3036.9 Ų36.916%0.1620%0.203CC..SBendtrans-97.218.4178.867.6-19.6000112.7P83 S84 Q85D58-P83 WeakPolarHBondContact CB-O 3.46Å; D58-S84 WeakPolarHBondContact OD1-CA 3.3Å; D58-S84 WeakPolarHBondContact OD2-CA 3.44Å; D58-S84 PolarHBondContact OD2-OG 3.36Å; D58-Q85 PolarHBondContact O-NE2 2.68Å; D58-Q85 WeakPolarHBondContact OD1-CB 3.33Å; D58-Q85 WeakPolarHBondContact OD1-CG 3.45Å; D58-Q85 PolarHBondContact OD1-N 2.76Å; D58-Q85 PolarHBondContact OD2-N 3.13Å
59I95.7Very high97.6Very high10 Ų1034.5 Ų34.55%0.05118%0.176CC..  trans-74.4135174.3-54.4164.1000108.7A56 P61 L62 I64 V65 Q85 A99A56-I59 HydrophobicContact CB-CD1 3.93Å; A56-I59 HydrophobicContact CB-CG1 3.77Å; A56-I59 WeakPolarHBondContact O-CD1 3.42Å; A56-I59 WeakPolarHBondContact O-CG1 3.1Å; I59-P61 WeakPolarHBondContact CG2-O 3.46Å; I59-P61 CarbonylContact O-C 3.42Å; I59-L62 PolarHBondContact O-N 2.92Å; I59-I64 HydrophobicContact CG2-CB 4.38Å; I59-I64 HydrophobicContact CG2-CD1 4.04Å; I59-V65 HydrophobicContact CD1-CB 4.36Å; I59-V65 HydrophobicContact CD1-CG1 3.54Å; I59-V65 HydrophobicContact CD1-CG2 3.83Å; I59-Q85 HydrophobicContact CG1-CB 4.32Å; I59-A99 VanDerWaalsContact CD1-CA 3.48Å; I59-A99 HydrophobicContact CD1-CB 3.59Å; I59-A99 VanDerWaalsContact CD1-O 3.32Å; I59-A99 WeakPolarHBondContact CD1-O 3.44Å; I59-A99 HydrophobicContact CG1-CB 4.36Å
60D94.2Very high97.6Very high132 Ų13233.6 Ų33.671%0.70618%0.177SC*.SBendtrans-126.6112.9173.6-171.718.7000109.1
61P95.6Very high97.6Very high62 Ų6234.4 Ų34.440%0.40318%0.179SC..SBendcis-78.4143.1-1.229.8-33.8000113.8I59 E63 I64I59-P61 WeakPolarHBondContact CG2-O 3.46Å; I59-P61 CarbonylContact O-C 3.42Å; P61-E63 HydrophobicContact CB-CB 4.41Å; P61-E63 VanDerWaalsContact CB-OE2 3.32Å; P61-E63 WeakPolarHBondContact CB-OE2 3.41Å; P61-E63 PolarHBondContact O-N 3.42Å; P61-I64 HydrophobicContact CG-CD1 4.08Å; P61-I64 HydrophobicContact CG-CG1 4.14Å; P61-I64 WeakPolarHBondContact O-CG1 3.38Å; P61-I64 PolarHBondContact O-N 3.4Å
62L96.1Very high97.6Very high1 Ų132.9 Ų32.91%0.00517%0.172CC..G310 helixtrans-61.8-26.9177.1-17373000111.9N6 R8 A9 I59 I64 V65 L66 F81N6-L62 HydrophobicContact CB-CD1 4.29Å; N6-L62 HydrophobicContact CB-CD2 3.87Å; N6-L62 HydrophobicContact CB-CG 4.45Å; R8-L62 HydrophobicContact CB-CD2 3.71Å; A9-L62 HydrophobicContact CB-CD1 4.41Å; I59-L62 PolarHBondContact O-N 2.92Å; L62-I64 PolarHBondContact O-N 3.45Å; L62-V65 HydrophobicContact CD1-CG2 3.98Å; L62-V65 HydrophobicContact CG-CG2 4.42Å; L62-V65 VanDerWaalsContact O-CG2 3.26Å; L62-V65 WeakPolarHBondContact O-CG2 3.32Å; L62-V65 PolarHBondContact O-N 2.7Å; L62-L66 HydrophobicContact CD2-CD1 4.36Å; L62-L66 HydrophobicContact CD2-CD2 3.65Å; L62-L66 HydrophobicContact CD2-CG 4.14Å; L62-L66 HydrophobicContact CG-CD2 3.96Å; L62-L66 HydrophobicContact CG-CG 4.05Å; L62-L66 PolarHBondContact O-N 3.2Å; L62-F81 HydrophobicContact CD1-CE1 4.1Å
63E96.8Very high97.6Very high100 Ų10037.6 Ų37.647%0.46719%0.194SC..G310 helixtrans-50.3-24177.7-7469.7-162.100113.4R8 P61 V65 L66R8-E63 IonicContact CZ-OE1 2.77Å; R8-E63 IonicContact NH1-OE1 3.53Å; R8-E63 PolarHBondContact NH1-OE1 2.9Å; R8-E63 IonicContact NH2-OE1 3.2Å; R8-E63 PolarHBondContact NH2-OE1 3.49Å; R8-E63 IonicContact NH2-OE2 2.7Å; R8-E63 PolarHBondContact NH2-OE2 3.18Å; P61-E63 HydrophobicContact CB-CB 4.41Å; P61-E63 VanDerWaalsContact CB-OE2 3.32Å; P61-E63 WeakPolarHBondContact CB-OE2 3.41Å; P61-E63 PolarHBondContact O-N 3.42Å; E63-V65 PolarHBondContact O-N 2.77Å; E63-L66 HydrophobicContact CG-CD1 4.33Å
64I97.7Very high97.5Very high77 Ų7744 Ų4440%0.39523%0.229SC..G310 helixtrans-57.8-29.6174.5-67.6169.4000112.5A38 I59 P61 L62 H67 A99A38-I64 HydrophobicContact CB-CG2 4.14Å; I59-I64 HydrophobicContact CG2-CB 4.38Å; I59-I64 HydrophobicContact CG2-CD1 4.04Å; P61-I64 HydrophobicContact CG-CD1 4.08Å; P61-I64 HydrophobicContact CG-CG1 4.14Å; P61-I64 WeakPolarHBondContact O-CG1 3.38Å; P61-I64 PolarHBondContact O-N 3.4Å; L62-I64 PolarHBondContact O-N 3.45Å; I64-H67 PolarHBondContact O-CE1 2.92Å; I64-H67 VanDerWaalsContact O-CE1 3.23Å; I64-H67 PolarHBondContact O-ND1 3.21Å; I64-A99 HydrophobicContact CG2-CB 4.3Å
65V98.3Very high97.4Very high0 Ų047.7 Ų47.70%025%0.245CC..THydrogen-bonded Turntrans-117.3-8-176.4-630000114A38 M55 I59 L62 E63 H67 L68 P69 F81 A99 A100A38-V65 HydrophobicContact CB-CG1 4.32Å; M55-V65 HydrophobicContact CB-CB 4.45Å; M55-V65 HydrophobicContact CB-CG2 4.42Å; M55-V65 HydrophobicContact CG-CB 4.1Å; M55-V65 HydrophobicContact CG-CG1 4.43Å; M55-V65 HydrophobicContact SD-CB 4.13Å; I59-V65 HydrophobicContact CD1-CB 4.36Å; I59-V65 HydrophobicContact CD1-CG1 3.54Å; I59-V65 HydrophobicContact CD1-CG2 3.83Å; L62-V65 HydrophobicContact CD1-CG2 3.98Å; L62-V65 HydrophobicContact CG-CG2 4.42Å; L62-V65 VanDerWaalsContact O-CG2 3.26Å; L62-V65 WeakPolarHBondContact O-CG2 3.32Å; L62-V65 PolarHBondContact O-N 2.7Å; E63-V65 PolarHBondContact O-N 2.77Å; V65-H67 PolarHBondContact O-N 3.31Å; V65-H67 VanDerWaalsContact O-N 3.13Å; V65-L68 HydrophobicContact CB-CD1 4.23Å; V65-L68 HydrophobicContact CG1-CD1 4.31Å; V65-L68 WeakPolarHBondContact O-CB 3.26Å; V65-L68 PolarHBondContact O-N 2.78Å; V65-P69 VanDerWaalsContact O-CD 3.22Å; V65-P69 WeakPolarHBondContact O-CD 3.41Å; V65-F81 HydrophobicContact CG2-CE1 3.83Å; V65-F81 HydrophobicContact CG2-CZ 4.41Å; V65-A99 HydrophobicContact CG1-CB 3.98Å; V65-A100 HydrophobicContact CG1-CB 4.14Å
66L97.4Very high97.4Very high50 Ų5054.9 Ų54.926%0.26228%0.283SS..THydrogen-bonded Turntrans-65.3-17-174.2-75.8-177.3000114.7L62 E63 L68 P69L62-L66 HydrophobicContact CD2-CD1 4.36Å; L62-L66 HydrophobicContact CD2-CD2 3.65Å; L62-L66 HydrophobicContact CD2-CG 4.14Å; L62-L66 HydrophobicContact CG-CD2 3.96Å; L62-L66 HydrophobicContact CG-CG 4.05Å; L62-L66 PolarHBondContact O-N 3.2Å; E63-L66 HydrophobicContact CG-CD1 4.33Å; L66-L68 VanDerWaalsContact C-N 3.35Å; L66-P69 WeakPolarHBondContact O-CD 3.41Å
67H98.1Very high97.4Very high75 Ų7556 Ų5635%0.34729%0.29SS..Hα-helixtrans-78.4-19.6172.668.6-72.5000113.2T42 I64 V65 L71T42-H67 PolarHBondContact OG1-NE2 2.94Å; I64-H67 PolarHBondContact O-CE1 2.92Å; I64-H67 VanDerWaalsContact O-CE1 3.23Å; I64-H67 PolarHBondContact O-ND1 3.21Å; V65-H67 PolarHBondContact O-N 3.31Å; V65-H67 VanDerWaalsContact O-N 3.13Å; H67-L71 PolarHBondContact O-N 2.86Å
68L98.7Very high97.4Very high0 Ų057 Ų570%030%0.296CS..Hα-helixtrans-69.6-43.3-176.7-68.2172.6000113.1A38 A41 T42 L45 I53 M55 V65 L66 L70 L71 C72 A100A38-L68 HydrophobicContact CB-CD1 4.42Å; A41-L68 HydrophobicContact CB-CD1 4.26Å; A41-L68 HydrophobicContact CB-CD2 4.13Å; T42-L68 WeakPolarHBondContact OG1-CD2 3.48Å; L45-L68 HydrophobicContact CD1-CD2 3.95Å; I53-L68 HydrophobicContact CG2-CD1 4.3Å; M55-L68 HydrophobicContact CG-CD1 3.94Å; M55-L68 HydrophobicContact SD-CB 3.58Å; M55-L68 VanDerWaalsContact SD-CB 3.58Å; M55-L68 HydrophobicContact SD-CD1 3.97Å; M55-L68 HydrophobicContact SD-CG 4.41Å; V65-L68 HydrophobicContact CB-CD1 4.23Å; V65-L68 HydrophobicContact CG1-CD1 4.31Å; V65-L68 WeakPolarHBondContact O-CB 3.26Å; V65-L68 PolarHBondContact O-N 2.78Å; L66-L68 VanDerWaalsContact C-N 3.35Å; L68-L70 PolarHBondContact O-N 2.91Å; L68-L71 PolarHBondContact O-N 2.87Å; L68-C72 WeakPolarHBondContact O-CB 3.29Å; L68-C72 PolarHBondContact O-N 2.94Å; L68-C72 PolarHBondContact O-SG 2.9Å; L68-A100 HydrophobicContact CD1-CB 3.57Å
69P98.4Very high97.5Very high15 Ų1556.3 Ų56.310%0.09729%0.291CS..Hα-helixtrans-51.3-51.2173.1-3137.5000113.1M55 V65 L66 L71 C72 E73 Y79 F81M55-P69 HydrophobicContact CE-CG 4.01Å; M55-P69 HydrophobicContact SD-CG 4.1Å; V65-P69 VanDerWaalsContact O-CD 3.22Å; V65-P69 WeakPolarHBondContact O-CD 3.41Å; L66-P69 WeakPolarHBondContact O-CD 3.41Å; P69-L71 VanDerWaalsContact C-N 3.34Å; P69-L71 PolarHBondContact O-N 2.67Å; P69-C72 WeakPolarHBondContact O-CB 3.15Å; P69-C72 PolarHBondContact O-N 3.17Å; P69-C72 VanDerWaalsContact O-N 3.08Å; P69-E73 WeakPolarHBondContact O-CG 3.49Å; P69-E73 PolarHBondContact O-N 3.22Å; P69-Y79 HydrophobicContact CB-CD2 4.13Å; P69-Y79 HydrophobicContact CB-CE1 4.39Å; P69-Y79 HydrophobicContact CB-CE2 3.58Å; P69-Y79 HydrophobicContact CG-CD2 4.21Å; P69-Y79 HydrophobicContact CG-CE2 3.95Å; P69-F81 HydrophobicContact CG-CE2 4.02Å; P69-F81 HydrophobicContact CG-CZ 4.11Å
70L97.8Very high97.6Very high110 Ų11055.8 Ų55.858%0.57629%0.289SS*.Hα-helixtrans-59-45.3178.7-62.6175000111.6L68 C72 E73 D74L68-L70 PolarHBondContact O-N 2.91Å; L70-C72 VanDerWaalsContact C-N 3.28Å; L70-C72 PolarHBondContact O-N 3.21Å; L70-E73 PolarHBondContact O-N 2.88Å; L70-D74 PolarHBondContact O-N 3.14Å
71L98.3Very high97.8Very high28 Ų2849.6 Ų49.615%0.14726%0.256CS..Hα-helixtrans-67.3-30178.2-173.361000112.9T42 L45 H67 L68 P69 K75T42-L71 HydrophobicContact CG2-CD2 3.79Å; L45-L71 HydrophobicContact CB-CD2 3.95Å; L45-L71 HydrophobicContact CB-CG 4.19Å; L45-L71 HydrophobicContact CD1-CB 4.24Å; L45-L71 HydrophobicContact CD1-CD2 3.7Å; L45-L71 HydrophobicContact CD1-CG 3.88Å; L45-L71 HydrophobicContact CG-CD2 4.5Å; H67-L71 PolarHBondContact O-N 2.86Å; L68-L71 PolarHBondContact O-N 2.87Å; P69-L71 VanDerWaalsContact C-N 3.34Å; P69-L71 PolarHBondContact O-N 2.67Å; L71-K75 HydrophobicContact CD1-CD 4.06Å; L71-K75 HydrophobicContact CG-CD 4.22Å; L71-K75 WeakPolarHBondContact O-CB 3.37Å; L71-K75 WeakPolarHBondContact O-CG 3.47Å; L71-K75 PolarHBondContact O-N 3.12Å
72C98.5Very high97.9Very high0 Ų046.7 Ų46.70%024%0.237CC..Hα-helixtrans-70.5-43.5175.3-71.80000110.9I53 L68 P69 L70 K75 N76 V77 Y79I53-C72 WeakPolarHBondContact CG1-SG 3.12Å; L68-C72 WeakPolarHBondContact O-CB 3.29Å; L68-C72 PolarHBondContact O-N 2.94Å; L68-C72 PolarHBondContact O-SG 2.9Å; P69-C72 WeakPolarHBondContact O-CB 3.15Å; P69-C72 PolarHBondContact O-N 3.17Å; P69-C72 VanDerWaalsContact O-N 3.08Å; L70-C72 VanDerWaalsContact C-N 3.28Å; L70-C72 PolarHBondContact O-N 3.21Å; C72-K75 CarbonylContact O-C 3.55Å; C72-K75 PolarHBondContact O-N 3.26Å; C72-N76 PolarHBondContact O-N 2.76Å; C72-V77 VanDerWaalsContact CB-O 3.28Å; C72-V77 WeakPolarHBondContact CB-O 3.39Å; C72-V77 PolarHBondContact O-N 3.36Å; C72-Y79 HydrophobicContact CB-CD1 3.48Å; C72-Y79 VanDerWaalsContact CB-CD1 3.48Å; C72-Y79 HydrophobicContact CB-CE1 4.28Å; C72-Y79 HydrophobicContact CB-CG 3.99Å
73E97.6Very high98Very high100 Ų10049 Ų4947%0.46725%0.252SS..Hα-helixtrans-61.1-49.7175.1-70.2168.7-172.700111.5P69 L70 K75 N76 Y79P69-E73 WeakPolarHBondContact O-CG 3.49Å; P69-E73 PolarHBondContact O-N 3.22Å; L70-E73 PolarHBondContact O-N 2.88Å; E73-K75 PolarHBondContact O-N 2.99Å; E73-N76 PolarHBondContact O-N 3.11Å; E73-N76 VanDerWaalsContact O-N 3.08Å; E73-Y79 HydrophobicContact CG-CE1 3.81Å; E73-Y79 PolarHBondContact OE1-OH 3.39Å
74D97.9Very high98Very high134 Ų13446 Ų4672%0.71724%0.242SC*.Hα-helixtrans-55.4-27.8176.8-76.7-15.2000113.2L70L70-D74 PolarHBondContact O-N 3.14Å
75K97.5Very high98Very high77 Ų7744.2 Ų44.234%0.33523%0.232SC..THydrogen-bonded Turntrans-106.51.4-175.6-68.7177173.6-69.60113.8L45 N46 L71 C72 E73 V77L45-K75 HydrophobicContact CB-CD 3.89Å; L45-K75 HydrophobicContact CD2-CD 4.45Å; L45-K75 VanDerWaalsContact O-CD 3.29Å; L45-K75 WeakPolarHBondContact O-CD 3.38Å; L45-K75 WeakPolarHBondContact O-CE 3.49Å; L45-K75 PolarHBondContact O-NZ 3.23Å; N46-K75 WeakPolarHBondContact OD1-CE 3.34Å; L71-K75 HydrophobicContact CD1-CD 4.06Å; L71-K75 HydrophobicContact CG-CD 4.22Å; L71-K75 WeakPolarHBondContact O-CB 3.37Å; L71-K75 WeakPolarHBondContact O-CG 3.47Å; L71-K75 PolarHBondContact O-N 3.12Å; C72-K75 CarbonylContact O-C 3.55Å; C72-K75 PolarHBondContact O-N 3.26Å; E73-K75 PolarHBondContact O-N 2.99Å; K75-V77 VanDerWaalsContact C-N 3.28Å; K75-V77 HydrophobicContact CB-CG2 4.03Å; K75-V77 PolarHBondContact O-N 2.85Å
76N97Very high98Very high152 Ų15247.8 Ų47.881%0.81325%0.249SC*.THydrogen-bonded Turntrans52.444-173-58.4-71.9000113.1C72 E73C72-N76 PolarHBondContact O-N 2.76Å; E73-N76 PolarHBondContact O-N 3.11Å; E73-N76 VanDerWaalsContact O-N 3.08Å
77V98.2Very high98Very high23 Ų2347 Ų4714%0.13925%0.25CC..  trans-107.4124.7177175.60000108.8L45 A50 I53 C72 K75L45-V77 HydrophobicContact CD2-CB 3.77Å; L45-V77 HydrophobicContact CD2-CG1 3.74Å; L45-V77 HydrophobicContact CD2-CG2 3.86Å; A50-V77 HydrophobicContact CB-CG1 4.35Å; I53-V77 HydrophobicContact CG1-CG1 4.43Å; C72-V77 VanDerWaalsContact CB-O 3.28Å; C72-V77 WeakPolarHBondContact CB-O 3.39Å; C72-V77 PolarHBondContact O-N 3.36Å; K75-V77 VanDerWaalsContact C-N 3.28Å; K75-V77 HydrophobicContact CB-CG2 4.03Å; K75-V77 PolarHBondContact O-N 2.85Å
78P98.3Very high98Very high20 Ų2043.4 Ų43.413%0.1323%0.233CC..  trans-58.8146175.9-27.535.9000112.6E51 F52 I53 Q119 I122 E123E51-P78 WeakPolarHBondContact O-CD 3.21Å; F52-P78 CarbonylContact C-O 3.58Å; F52-P78 WeakPolarHBondContact CA-O 3.4Å; F52-P78 HydrophobicContact CB-CB 4.01Å; F52-P78 WeakPolarHBondContact CB-O 3.47Å; I53-P78 PolarHBondContact N-O 2.83Å; P78-Q119 HydrophobicContact CB-CG 4.45Å; P78-Q119 HydrophobicContact CG-CB 4.23Å; P78-Q119 HydrophobicContact CG-CG 4.09Å; P78-I122 HydrophobicContact CB-CB 4.48Å; P78-I122 HydrophobicContact CB-CG2 4.03Å; P78-E123 HydrophobicContact CG-CG 4.41Å
79Y98.7Very high98Very high16 Ų1643.4 Ų43.46%0.06323%0.233CC..EExtended strand (participates in β ladder)trans-144.9152.4178.869.5-89.1000111.6P11 I53 M55 P69 C72 E73 I122P11-Y79 HydrophobicContact CG-CE2 4.41Å; I53-Y79 CarbonylContact O-C 3.6Å; I53-Y79 VanDerWaalsContact O-CA 3.27Å; I53-Y79 WeakPolarHBondContact O-CA 3.24Å; M55-Y79 HydrophobicContact CE-CD2 3.59Å; M55-Y79 HydrophobicContact CE-CG 4.17Å; P69-Y79 HydrophobicContact CB-CD2 4.13Å; P69-Y79 HydrophobicContact CB-CE1 4.39Å; P69-Y79 HydrophobicContact CB-CE2 3.58Å; P69-Y79 HydrophobicContact CG-CD2 4.21Å; P69-Y79 HydrophobicContact CG-CE2 3.95Å; C72-Y79 HydrophobicContact CB-CD1 3.48Å; C72-Y79 VanDerWaalsContact CB-CD1 3.48Å; C72-Y79 HydrophobicContact CB-CE1 4.28Å; C72-Y79 HydrophobicContact CB-CG 3.99Å; E73-Y79 HydrophobicContact CG-CE1 3.81Å; E73-Y79 PolarHBondContact OE1-OH 3.39Å; Y79-I122 WeakPolarHBondContact O-CG2 3.31Å
80V98.7Very high98Very high0 Ų050.9 Ų50.90%026%0.26CS..EExtended strand (participates in β ladder)trans-154145.4-178.769.70000111.6A13 I21 I53 V54 M55 I122 L125A13-V80 HydrophobicContact CB-CG2 3.75Å; I21-V80 HydrophobicContact CD1-CG1 3.63Å; I53-V80 PolarHBondContact O-N 3.45Å; V54-V80 CarbonylContact C-O 3.44Å; V54-V80 WeakPolarHBondContact CA-O 3.35Å; V54-V80 HydrophobicContact CG2-CG1 4.42Å; M55-V80 PolarHBondContact N-O 2.83Å; V80-I122 HydrophobicContact CB-CD1 3.99Å; V80-I122 HydrophobicContact CB-CG1 3.9Å; V80-I122 HydrophobicContact CB-CG2 4.11Å; V80-I122 HydrophobicContact CG1-CD1 3.64Å; V80-I122 HydrophobicContact CG1-CG1 3.97Å; V80-I122 HydrophobicContact CG2-CG1 4.34Å; V80-L125 HydrophobicContact CG2-CD1 3.98Å
81F98.7Very high98Very high1 Ų145.8 Ų45.80%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-89.5141.7167.7-71.6-94.2000110.7A9 Y10 P11 L12 A13 M55 A57 L62 V65 P69A9-F81 HydrophobicContact CB-CB 4.09Å; A9-F81 HydrophobicContact CB-CD1 3.57Å; A9-F81 HydrophobicContact CB-CD2 4.22Å; A9-F81 HydrophobicContact CB-CE1 3.98Å; A9-F81 HydrophobicContact CB-CG 3.7Å; A9-F81 HydrophobicContact CB-CZ 4.47Å; Y10-F81 WeakPolarHBondContact O-CE2 3.46Å; P11-F81 PolarHBondContact O-N 3.16Å; L12-F81 HydrophobicContact CD1-CB 3.86Å; A13-F81 PolarHBondContact N-O 2.92Å; M55-F81 HydrophobicContact CB-CD1 3.54Å; M55-F81 HydrophobicContact CB-CE1 3.55Å; M55-F81 HydrophobicContact CB-CG 4.16Å; M55-F81 HydrophobicContact CB-CZ 4.16Å; M55-F81 HydrophobicContact CE-CD2 4.05Å; M55-F81 HydrophobicContact CE-CE1 4.39Å; M55-F81 HydrophobicContact CE-CE2 3.66Å; M55-F81 HydrophobicContact CE-CZ 3.85Å; M55-F81 HydrophobicContact CG-CE1 4.38Å; M55-F81 CarbonylContact O-C 3.59Å; M55-F81 VanDerWaalsContact O-CA 3.24Å; M55-F81 WeakPolarHBondContact O-CA 3.29Å; M55-F81 HydrophobicContact SD-CE1 4.06Å; M55-F81 HydrophobicContact SD-CE2 4.2Å; M55-F81 HydrophobicContact SD-CZ 3.74Å; A57-F81 HydrophobicContact CB-CB 4.34Å; A57-F81 HydrophobicContact CB-CD1 4.4Å; L62-F81 HydrophobicContact CD1-CE1 4.1Å; V65-F81 HydrophobicContact CG2-CE1 3.83Å; V65-F81 HydrophobicContact CG2-CZ 4.41Å; P69-F81 HydrophobicContact CG-CE2 4.02Å; P69-F81 HydrophobicContact CG-CZ 4.11Å
82I98.3Very high98Very high1 Ų144.5 Ų44.51%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-116157.1165.263.3163.9000109.8A13 T18 I21 I22 V54 M55 A56 A57 S84 L88A13-I82 HydrophobicContact CB-CG2 4.26Å; T18-I82 HydrophobicContact CG2-CB 4.21Å; T18-I82 HydrophobicContact CG2-CG2 4.23Å; I21-I82 HydrophobicContact CD1-CG2 4.18Å; I21-I82 HydrophobicContact CG2-CG2 4.32Å; I22-I82 HydrophobicContact CD1-CD1 3.74Å; I22-I82 HydrophobicContact CG1-CD1 4.44Å; V54-I82 HydrophobicContact CG1-CB 4.46Å; V54-I82 HydrophobicContact CG1-CD1 4Å; V54-I82 HydrophobicContact CG1-CG1 3.83Å; V54-I82 HydrophobicContact CG1-CG2 3.89Å; M55-I82 PolarHBondContact O-N 2.87Å; A56-I82 CarbonylContact C-O 3.54Å; A56-I82 WeakPolarHBondContact CA-O 3.2Å; A57-I82 WeakPolarHBondContact CB-O 3.38Å; A57-I82 PolarHBondContact N-O 3.49Å; I82-S84 VanDerWaalsContact C-N 3.34Å; I82-S84 PolarHBondContact O-N 2.88Å; I82-L88 HydrophobicContact CD1-CB 4.01Å; I82-L88 HydrophobicContact CD1-CD1 3.99Å; I82-L88 HydrophobicContact CD1-CD2 4.45Å; I82-L88 HydrophobicContact CD1-CG 4.36Å
83P97.3Very high97.9Very high50 Ų5047.7 Ų47.733%0.32526%0.259SS..SBendtrans-63.3-32.1-170.3-27.536.4000115.6V5 D58V5-P83 HydrophobicContact CG2-CB 3.97Å; D58-P83 WeakPolarHBondContact CB-O 3.46Å
84S97.2Very high97.9Very high37 Ų3744.7 Ų44.726%0.25925%0.248SC..  trans-132.4123-166.8-174.80000115.9D58 I82 M86 A87 L88D58-S84 WeakPolarHBondContact OD1-CA 3.3Å; D58-S84 WeakPolarHBondContact OD2-CA 3.44Å; D58-S84 PolarHBondContact OD2-OG 3.36Å; I82-S84 VanDerWaalsContact C-N 3.34Å; I82-S84 PolarHBondContact O-N 2.88Å; S84-M86 VanDerWaalsContact C-N 3.27Å; S84-M86 PolarHBondContact O-N 3.32Å; S84-M86 PolarHBondContact OG-N 3.34Å; S84-A87 PolarHBondContact O-N 3.22Å; S84-A87 PolarHBondContact OG-N 3.28Å; S84-L88 PolarHBondContact O-N 3.5Å
85Q97.9Very high97.8Very high40 Ų4044.3 Ų44.319%0.18726%0.256CS..Hα-helixtrans-65.2-29.7172.363.5177.8-59.600112.5A56 D58 I59 G89 S97 V98A56-Q85 HydrophobicContact CB-CB 3.46Å; A56-Q85 VanDerWaalsContact CB-CB 3.46Å; D58-Q85 PolarHBondContact O-NE2 2.68Å; D58-Q85 WeakPolarHBondContact OD1-CB 3.33Å; D58-Q85 WeakPolarHBondContact OD1-CG 3.45Å; D58-Q85 PolarHBondContact OD1-N 2.76Å; D58-Q85 PolarHBondContact OD2-N 3.13Å; I59-Q85 HydrophobicContact CG1-CB 4.32Å; Q85-G89 PolarHBondContact O-N 3.39Å; Q85-S97 PolarHBondContact OE1-OG 3.4Å; Q85-V98 WeakPolarHBondContact CA-O 3.43Å; Q85-V98 WeakPolarHBondContact CB-O 3.27Å; Q85-V98 PolarHBondContact O-N 3.09Å
86M97.6Very high97.8Very high74 Ų7449 Ų4937%0.36527%0.271SS..Hα-helixtrans-73.2-40.9176.1-70.1-57-60.200111.2S84 L88 G89 R90 S97S84-M86 VanDerWaalsContact C-N 3.27Å; S84-M86 PolarHBondContact O-N 3.32Å; S84-M86 PolarHBondContact OG-N 3.34Å; M86-L88 VanDerWaalsContact C-N 3.32Å; M86-G89 PolarHBondContact O-N 2.85Å; M86-R90 WeakPolarHBondContact O-CG 3.15Å; M86-R90 PolarHBondContact O-N 3.23Å; M86-S97 VanDerWaalsContact SD-CB 3.59Å
87A97.8Very high97.8Very high33 Ų3343.9 Ų43.927%0.27325%0.248SC..Hα-helixtrans-62.6-41.817300000111I22 S84 G89 R90 A91I22-A87 HydrophobicContact CD1-CB 4.24Å; S84-A87 PolarHBondContact O-N 3.22Å; S84-A87 PolarHBondContact OG-N 3.28Å; A87-G89 PolarHBondContact O-N 3.24Å; A87-R90 PolarHBondContact O-N 2.89Å; A87-A91 WeakPolarHBondContact O-CB 3.33Å; A87-A91 PolarHBondContact O-N 3.31Å
88L98.2Very high97.8Very high0 Ų043.1 Ų43.10%024%0.243CC..Hα-helixtrans-61.3-43.9175.6-164.548.3000112.3V25 V54 I82 S84 M86 A91 C92 V98 V101V25-L88 HydrophobicContact CG1-CD1 4.33Å; V54-L88 HydrophobicContact CG1-CD1 4.01Å; V54-L88 HydrophobicContact CG1-CD2 4.19Å; I82-L88 HydrophobicContact CD1-CB 4.01Å; I82-L88 HydrophobicContact CD1-CD1 3.99Å; I82-L88 HydrophobicContact CD1-CD2 4.45Å; I82-L88 HydrophobicContact CD1-CG 4.36Å; S84-L88 PolarHBondContact O-N 3.5Å; M86-L88 VanDerWaalsContact C-N 3.32Å; L88-A91 PolarHBondContact O-N 2.73Å; L88-C92 WeakPolarHBondContact O-CB 3.32Å; L88-C92 PolarHBondContact O-N 3.48Å; L88-C92 PolarHBondContact O-SG 3.44Å; L88-V98 HydrophobicContact CB-CB 4.46Å; L88-V98 HydrophobicContact CD2-CG1 4.29Å; L88-V98 HydrophobicContact CG-CB 4.25Å; L88-V98 HydrophobicContact CG-CG1 4.22Å; L88-V101 HydrophobicContact CD1-CB 4.33Å; L88-V101 HydrophobicContact CD1-CG2 3.74Å; L88-V101 HydrophobicContact CD2-CG2 3.91Å; L88-V101 HydrophobicContact CG-CG2 3.74Å
89G98.5Very high97.8Very high0 Ų043.1 Ų43.10%024%0.244CC..Hα-helixtrans-59.5-47.6176.200000112.9Q85 M86 A87 A91 C92 G93 V94 R96Q85-G89 PolarHBondContact O-N 3.39Å; M86-G89 PolarHBondContact O-N 2.85Å; A87-G89 PolarHBondContact O-N 3.24Å; G89-A91 PolarHBondContact O-N 3.35Å; G89-C92 CarbonylContact O-C 3.5Å; G89-C92 WeakPolarHBondContact O-CA 3.48Å; G89-C92 WeakPolarHBondContact O-CB 3.49Å; G89-C92 PolarHBondContact O-N 3.18Å; G89-C92 VanDerWaalsContact O-N 3.13Å; G89-G93 PolarHBondContact O-N 3.13Å; G89-V94 CarbonylContact C-O 3.35Å; G89-V94 VanDerWaalsContact O-CG2 3.26Å; G89-V94 WeakPolarHBondContact O-CG2 3.42Å; G89-V94 PolarHBondContact O-N 2.98Å; G89-V94 VanDerWaalsContact O-O 3.1Å; G89-R96 WeakPolarHBondContact CA-O 3.4Å
90R98.2Very high97.8Very high173 Ų17342.3 Ų42.365%0.65324%0.241SC*.Hα-helixtrans-61.6-43175.5-69.3179.1-168.6129.50.2112.2M86 A87 C92 G93M86-R90 WeakPolarHBondContact O-CG 3.15Å; M86-R90 PolarHBondContact O-N 3.23Å; A87-R90 PolarHBondContact O-N 2.89Å; R90-C92 PolarHBondContact O-N 3.33Å; R90-G93 PolarHBondContact O-N 2.8Å
91A98.2Very high97.8Very high3 Ų342.3 Ų42.33%0.02524%0.241CC..Hα-helixtrans-61.2-34.817600000111.8I22 V25 K26 A87 L88 G89 G93I22-A91 HydrophobicContact CD1-CB 3.83Å; I22-A91 HydrophobicContact CG2-CB 4.07Å; V25-A91 HydrophobicContact CB-CB 4.1Å; V25-A91 HydrophobicContact CG1-CB 3.65Å; K26-A91 VanDerWaalsContact CA-O 3.31Å; K26-A91 WeakPolarHBondContact CA-O 3.41Å; K26-A91 HydrophobicContact CG-CB 4.08Å; A87-A91 WeakPolarHBondContact O-CB 3.33Å; A87-A91 PolarHBondContact O-N 3.31Å; L88-A91 PolarHBondContact O-N 2.73Å; G89-A91 PolarHBondContact O-N 3.35Å; A91-G93 PolarHBondContact O-N 3.48Å
92C98.2Very high97.8Very high0 Ų042.3 Ų42.30%024%0.241CC..THydrogen-bonded Turntrans-75.30.8173.4-70.20000114.4S29 K36 L88 G89 R90 V94 V101S29-C92 PolarHBondContact OG-O 3.2Å; S29-C92 VanDerWaalsContact OG-O 3.13Å; K36-C92 HydrophobicContact CD-CB 3.97Å; K36-C92 HydrophobicContact CG-CB 4.4Å; K36-C92 PolarHBondContact NZ-O 3.11Å; L88-C92 WeakPolarHBondContact O-CB 3.32Å; L88-C92 PolarHBondContact O-N 3.48Å; L88-C92 PolarHBondContact O-SG 3.44Å; G89-C92 CarbonylContact O-C 3.5Å; G89-C92 WeakPolarHBondContact O-CA 3.48Å; G89-C92 WeakPolarHBondContact O-CB 3.49Å; G89-C92 PolarHBondContact O-N 3.18Å; G89-C92 VanDerWaalsContact O-N 3.13Å; R90-C92 PolarHBondContact O-N 3.33Å; C92-V94 VanDerWaalsContact C-N 3.31Å; C92-V94 HydrophobicContact CB-CG2 4.12Å; C92-V94 PolarHBondContact O-N 3.39Å; C92-V101 WeakPolarHBondContact SG-CG2 3.34Å
93G96.8Very high97.8Very high67 Ų6742.3 Ų42.369%0.69124%0.242SC*.THydrogen-bonded Turntrans6630-176.800000113.8G89 R90 A91G89-G93 PolarHBondContact O-N 3.13Å; R90-G93 PolarHBondContact O-N 2.8Å; A91-G93 PolarHBondContact O-N 3.48Å
94V97.6Very high97.8Very high38 Ų3840.8 Ų40.823%0.2323%0.231CC..  trans-121.3150.6175.4-62.20000110.8G89 C92 R96 V98G89-V94 CarbonylContact C-O 3.35Å; G89-V94 VanDerWaalsContact O-CG2 3.26Å; G89-V94 WeakPolarHBondContact O-CG2 3.42Å; G89-V94 PolarHBondContact O-N 2.98Å; G89-V94 VanDerWaalsContact O-O 3.1Å; C92-V94 VanDerWaalsContact C-N 3.31Å; C92-V94 HydrophobicContact CB-CG2 4.12Å; C92-V94 PolarHBondContact O-N 3.39Å; V94-R96 HydrophobicContact CB-CG 4.41Å; V94-R96 HydrophobicContact CG2-CG 4.15Å; V94-V98 HydrophobicContact CG2-CG2 3.67Å
95S95Very high97.3Very high125 Ų12542.5 Ų42.587%0.87424%0.238SC*.SBendtrans-77.5-22.5-18053.10000113.7
96R96.5Very high96.8Very high175 Ų17543.2 Ų43.266%0.6625%0.247SC*.SBendtrans-86.3157.4179.366.6179.8-174-125.74.4112.2G89 V94G89-R96 WeakPolarHBondContact CA-O 3.4Å; V94-R96 HydrophobicContact CB-CG 4.41Å; V94-R96 HydrophobicContact CG2-CG 4.15Å
97S97.2Very high96.3Very high46 Ų4648.7 Ų48.732%0.32227%0.271SS..  trans-61.7151.6168.462.40000111.3Q85 M86Q85-S97 PolarHBondContact OE1-OG 3.4Å; M86-S97 VanDerWaalsContact SD-CB 3.59Å
98V98.5Very high95.8Very high7 Ų751 Ų514%0.04230%0.298CS..  trans-126.6123.1175.41740000108.3Q85 L88 V94 A100 V101Q85-V98 WeakPolarHBondContact CA-O 3.43Å; Q85-V98 WeakPolarHBondContact CB-O 3.27Å; Q85-V98 PolarHBondContact O-N 3.09Å; L88-V98 HydrophobicContact CB-CB 4.46Å; L88-V98 HydrophobicContact CD2-CG1 4.29Å; L88-V98 HydrophobicContact CG-CB 4.25Å; L88-V98 HydrophobicContact CG-CG1 4.22Å; V94-V98 HydrophobicContact CG2-CG2 3.67Å; V98-A100 WeakPolarHBondContact CG1-O 3.38Å; V98-V101 HydrophobicContact CG1-CG2 3.57Å
99A98.2Very high95.6Very high19 Ų1951.8 Ų51.816%0.15730%0.304CS..SBendtrans-70.8-43.6-179.800000112.9M55 A56 I59 I64 V65M55-A99 WeakPolarHBondContact CA-O 3.27Å; A56-A99 PolarHBondContact N-O 3.09Å; I59-A99 VanDerWaalsContact CD1-CA 3.48Å; I59-A99 HydrophobicContact CD1-CB 3.59Å; I59-A99 VanDerWaalsContact CD1-O 3.32Å; I59-A99 WeakPolarHBondContact CD1-O 3.44Å; I59-A99 HydrophobicContact CG1-CB 4.36Å; I64-A99 HydrophobicContact CG2-CB 4.3Å; V65-A99 HydrophobicContact CG1-CB 3.98Å
100A98.8Very high95.4Very high0 Ų059 Ų590%034%0.338CS..EExtended strand (participates in β ladder)trans-150.4157.4-179.300000111G37 A41 V54 M55 V65 L68 V98G37-A100 WeakPolarHBondContact CA-O 3.16Å; G37-A100 PolarHBondContact N-O 2.99Å; A41-A100 HydrophobicContact CB-CB 4.4Å; V54-A100 CarbonylContact O-C 3.57Å; V54-A100 WeakPolarHBondContact O-CA 3.43Å; M55-A100 HydrophobicContact CG-CB 3.97Å; V65-A100 HydrophobicContact CG1-CB 4.14Å; L68-A100 HydrophobicContact CD1-CB 3.57Å; V98-A100 WeakPolarHBondContact CG1-O 3.38Å
101V98.8Very high95.3Very high0 Ų051 Ų510%031%0.308CS..EExtended strand (participates in β ladder)trans-139.1133.4177.1176.10000108.5L34 K35 V54 L88 C92 V98L34-V101 HydrophobicContact CB-CG1 4.32Å; L34-V101 HydrophobicContact CD1-CG1 4.24Å; L34-V101 HydrophobicContact CD2-CG1 3.63Å; L34-V101 HydrophobicContact CG-CG1 4.29Å; K35-V101 CarbonylContact O-C 3.57Å; K35-V101 VanDerWaalsContact O-CA 3.29Å; K35-V101 WeakPolarHBondContact O-CA 3.42Å; V54-V101 PolarHBondContact N-O 3.44Å; V54-V101 PolarHBondContact O-N 2.75Å; L88-V101 HydrophobicContact CD1-CB 4.33Å; L88-V101 HydrophobicContact CD1-CG2 3.74Å; L88-V101 HydrophobicContact CD2-CG2 3.91Å; L88-V101 HydrophobicContact CG-CG2 3.74Å; C92-V101 WeakPolarHBondContact SG-CG2 3.34Å; V98-V101 HydrophobicContact CG1-CG2 3.57Å
102A98.8Very high95.2Very high0 Ų054 Ų540%032%0.32CS..EExtended strand (participates in β ladder)trans-95.7125.516200000109.1L34 K35 A41 A44 A50 I53L34-A102 WeakPolarHBondContact CA-O 3.39Å; K35-A102 HydrophobicContact CB-CB 4.22Å; K35-A102 PolarHBondContact N-O 3.41Å; K35-A102 PolarHBondContact O-N 3.3Å; A41-A102 HydrophobicContact CB-CB 4.29Å; A44-A102 HydrophobicContact CB-CB 3.78Å; A50-A102 HydrophobicContact CB-CB 4.07Å; I53-A102 HydrophobicContact CD1-CB 3.34Å
103V98.6Very high95.1Very high2 Ų258.2 Ų58.21%0.01235%0.348CS..EExtended strand (participates in β ladder)trans-81.3122163.4-179.40000106.6L34 E51 F52 V115L34-V103 HydrophobicContact CD2-CB 4.41Å; L34-V103 HydrophobicContact CD2-CG2 3.83Å; E51-V103 PolarHBondContact N-O 3.04Å; F52-V103 HydrophobicContact CD1-CB 3.99Å; F52-V103 HydrophobicContact CD1-CG1 4.45Å; F52-V103 HydrophobicContact CD1-CG2 4.39Å; F52-V103 HydrophobicContact CE1-CB 3.58Å; F52-V103 HydrophobicContact CE1-CG1 3.82Å; F52-V103 HydrophobicContact CE1-CG2 3.68Å; F52-V103 HydrophobicContact CE2-CG2 3.91Å; F52-V103 HydrophobicContact CZ-CB 3.88Å; F52-V103 HydrophobicContact CZ-CG1 4.35Å; F52-V103 HydrophobicContact CZ-CG2 3.39Å; F52-V103 PolarHBondContact O-N 2.97Å; F52-V103 VanDerWaalsContact O-N 3.1Å; V103-V115 HydrophobicContact CG1-CG2 4.25Å
104T97.6Very high95Very high17 Ų1759 Ų5910%0.10434%0.335CS..EExtended strand (participates in β ladder)trans-100.5145-173.259.80000112.4Q33 K35 A44 K49Q33-T104 WeakPolarHBondContact CA-OG1 3.26Å; Q33-T104 PolarHBondContact NE2-O 3.44Å; Q33-T104 PolarHBondContact O-N 3.04Å; Q33-T104 PolarHBondContact O-OG1 3.36Å; K35-T104 HydrophobicContact CG-CG2 3.73Å; A44-T104 HydrophobicContact CB-CG2 4.5Å; K49-T104 CarbonylContact O-C 3.49Å; K49-T104 WeakPolarHBondContact O-CA 3.26Å; K49-T104 VanDerWaalsContact O-CB 3.26Å; K49-T104 WeakPolarHBondContact O-CB 3.13Å
105D87.3Confident95.1Very high74 Ų7457.4 Ų57.440%0.39633%0.326SS..PPolyproline II helixtrans-61.8145.5174-166.427.2000111K49 E51 K112K49-D105 PolarHBondContact O-N 2.89Å; E51-D105 HydrophobicContact CG-CB 3.79Å; E51-D105 WeakPolarHBondContact OE1-CB 3.2Å; E51-D105 VanDerWaalsContact OE1-OD1 3.13Å; D105-K112 IonicContact OD1-NZ 3.45Å; D105-K112 PolarHBondContact OD1-NZ 3.36Å
106S87.2Confident95.2Very high54 Ų5454.9 Ų54.938%0.37830%0.302SS..  trans-149.2120.6166.9-177.10000107.6G108 S109S106-G108 PolarHBondContact O-N 3.26Å; S106-S109 WeakPolarHBondContact O-CB 3.45Å; S106-S109 PolarHBondContact O-N 2.84Å
107E86.3Confident95.2Very high189 Ų18949.2 Ų49.288%0.88329%0.289SS*.THydrogen-bonded Turntrans-54135.2174.5-168.3175.4-174.300110.3S109E107-S109 PolarHBondContact O-N 3.26Å
108G88.3Confident95.3Very high81 Ų8147.4 Ų47.484%0.83528%0.276SS*.THydrogen-bonded Turntrans68.59.3-178.600000115.6S106 Q110S106-G108 PolarHBondContact O-N 3.26Å; G108-Q110 PolarHBondContact O-N 3.45Å
109S92.9Very high95.2Very high17 Ų1748.5 Ų48.512%0.11928%0.281CS..  trans-63.6131.5177.4175.90000111.8Q33 S106 E107 L111 K112Q33-S109 PolarHBondContact NE2-OG 3.26Å; Q33-S109 PolarHBondContact OE1-OG 3.42Å; S106-S109 WeakPolarHBondContact O-CB 3.45Å; S106-S109 PolarHBondContact O-N 2.84Å; E107-S109 PolarHBondContact O-N 3.26Å; S109-L111 PolarHBondContact O-N 3.14Å; S109-L111 VanDerWaalsContact O-N 3.14Å; S109-L111 WeakPolarHBondContact OG-CB 3.37Å; S109-L111 PolarHBondContact OG-N 2.99Å; S109-L111 VanDerWaalsContact OG-N 3.11Å; S109-K112 WeakPolarHBondContact O-CB 3.49Å; S109-K112 PolarHBondContact O-N 3.45Å; S109-K112 VanDerWaalsContact O-N 3.12Å
110Q94.2Very high95.2Very high152 Ų15252.4 Ų52.471%0.7130%0.295SS*.THydrogen-bonded Turntrans-63-16.6173.1-64.6179.9-8.800112.7Y31 G108 K112Y31-Q110 PolarHBondContact OH-OE1 2.71Å; G108-Q110 PolarHBondContact O-N 3.45Å; Q110-K112 VanDerWaalsContact C-N 3.35Å
111L95.9Very high95.2Very high4 Ų454 Ų542%0.02131%0.306CS..THydrogen-bonded Turntrans-82.2-12.3178.1-57.3-175.1000113.2L24 Q27 A28 Y31 S109 P113 L114 V115L24-L111 HydrophobicContact CD1-CB 4.07Å; L24-L111 HydrophobicContact CD1-CD1 4.09Å; L24-L111 HydrophobicContact CD1-CD2 4.34Å; L24-L111 HydrophobicContact CD1-CG 4.41Å; Q27-L111 HydrophobicContact CB-CD1 4.21Å; Q27-L111 HydrophobicContact CB-CD2 3.87Å; Q27-L111 VanDerWaalsContact OE1-CD2 3.29Å; A28-L111 HydrophobicContact CB-CD1 3.87Å; Y31-L111 HydrophobicContact CD2-CD1 3.81Å; Y31-L111 HydrophobicContact CD2-CD2 4.28Å; Y31-L111 HydrophobicContact CD2-CG 4.08Å; Y31-L111 HydrophobicContact CE2-CD1 4.44Å; Y31-L111 HydrophobicContact CE2-CD2 4.09Å; Y31-L111 HydrophobicContact CE2-CG 4.31Å; S109-L111 PolarHBondContact O-N 3.14Å; S109-L111 VanDerWaalsContact O-N 3.14Å; S109-L111 WeakPolarHBondContact OG-CB 3.37Å; S109-L111 PolarHBondContact OG-N 2.99Å; S109-L111 VanDerWaalsContact OG-N 3.11Å; L111-P113 VanDerWaalsContact C-CD 3.47Å; L111-L114 WeakPolarHBondContact O-CB 3.48Å; L111-L114 PolarHBondContact O-N 3.26Å; L111-V115 HydrophobicContact CB-CG2 4.37Å; L111-V115 WeakPolarHBondContact O-CG2 3.27Å; L111-V115 PolarHBondContact O-N 3.25Å
112K96.1Very high95.2Very high66 Ų6654 Ų5429%0.28731%0.307SS..Hα-helixtrans-53.4-42.8-173.2-164.868.2169.1-174.90113.6E51 D105 S109 Q110 L114 V115 I116E51-K112 IonicContact OE1-NZ 3.99Å; E51-K112 PolarHBondContact OE1-NZ 3.38Å; E51-K112 IonicContact OE2-NZ 2.88Å; E51-K112 PolarHBondContact OE2-NZ 2.99Å; D105-K112 IonicContact OD1-NZ 3.45Å; D105-K112 PolarHBondContact OD1-NZ 3.36Å; S109-K112 WeakPolarHBondContact O-CB 3.49Å; S109-K112 PolarHBondContact O-N 3.45Å; S109-K112 VanDerWaalsContact O-N 3.12Å; Q110-K112 VanDerWaalsContact C-N 3.35Å; K112-L114 VanDerWaalsContact C-N 3.33Å; K112-L114 PolarHBondContact O-N 3.07Å; K112-V115 PolarHBondContact O-N 2.9Å; K112-I116 HydrophobicContact CG-CD1 4.05Å; K112-I116 WeakPolarHBondContact O-CG1 3.47Å; K112-I116 PolarHBondContact O-N 3.38Å
113P96Very high95Very high90 Ų9058.8 Ų58.858%0.58433%0.329SS*.Hα-helixtrans-61.3-38.7176.3-23.535.2000113.5L111 S117L111-P113 VanDerWaalsContact C-CD 3.47Å; P113-S117 WeakPolarHBondContact O-CB 3.26Å; P113-S117 PolarHBondContact O-N 3.47Å; P113-S117 VanDerWaalsContact O-N 3.09Å
114L96.4Very high94.9Very high82 Ų8265.5 Ų65.543%0.42936%0.358SS..Hα-helixtrans-70.7-39.7177.3-68.3174.9000111.7L24 L111 K112 S117 I118L24-L114 HydrophobicContact CD1-CB 4.05Å; L111-L114 WeakPolarHBondContact O-CB 3.48Å; L111-L114 PolarHBondContact O-N 3.26Å; K112-L114 VanDerWaalsContact C-N 3.33Å; K112-L114 PolarHBondContact O-N 3.07Å; L114-S117 PolarHBondContact O-N 3.28Å; L114-I118 PolarHBondContact O-N 2.71Å
115V97.9Very high94.8Very high5 Ų567.4 Ų67.43%0.0337%0.367CS..Hα-helixtrans-58.2-49.5174.8171.50000110.2L24 E51 F52 V103 L111 K112 S117 I118 Q119L24-V115 HydrophobicContact CD1-CG2 4.22Å; L24-V115 HydrophobicContact CD2-CG2 3.92Å; E51-V115 HydrophobicContact CB-CG1 3.81Å; E51-V115 HydrophobicContact CG-CG1 4.06Å; F52-V115 HydrophobicContact CD1-CG1 4.19Å; F52-V115 HydrophobicContact CE1-CG1 4.17Å; V103-V115 HydrophobicContact CG1-CG2 4.25Å; L111-V115 HydrophobicContact CB-CG2 4.37Å; L111-V115 WeakPolarHBondContact O-CG2 3.27Å; L111-V115 PolarHBondContact O-N 3.25Å; K112-V115 PolarHBondContact O-N 2.9Å; V115-S117 PolarHBondContact O-N 3.04Å; V115-I118 PolarHBondContact O-N 2.96Å; V115-Q119 HydrophobicContact CG1-CG 4.42Å; V115-Q119 WeakPolarHBondContact O-CG 3.32Å; V115-Q119 PolarHBondContact O-N 3.29Å
116I97Very high94.9Very high72 Ų7267.8 Ų67.837%0.36937%0.369SS..Hα-helixtrans-61-45.1178.9-67.5166.5000111.3K112 I118 Q119 Q120K112-I116 HydrophobicContact CG-CD1 4.05Å; K112-I116 WeakPolarHBondContact O-CG1 3.47Å; K112-I116 PolarHBondContact O-N 3.38Å; I116-I118 VanDerWaalsContact C-N 3.31Å; I116-I118 PolarHBondContact O-N 3.04Å; I116-Q119 PolarHBondContact O-N 3.05Å; I116-Q120 WeakPolarHBondContact O-CG 3.45Å; I116-Q120 PolarHBondContact O-N 3.33Å
117S97.8Very high94.7Very high57 Ų5774.7 Ų74.740%0.39940%0.399SS..Hα-helixtrans-60.7-39.5178178.80000112.6P113 L114 V115 S121P113-S117 WeakPolarHBondContact O-CB 3.26Å; P113-S117 PolarHBondContact O-N 3.47Å; P113-S117 VanDerWaalsContact O-N 3.09Å; L114-S117 PolarHBondContact O-N 3.28Å; V115-S117 PolarHBondContact O-N 3.04Å; S117-S121 PolarHBondContact O-N 3.29Å; S117-S121 VanDerWaalsContact O-N 3.11Å; S117-S121 PolarHBondContact O-OG 3.43Å
118I98.2Very high95.1Very high8 Ų869 Ų694%0.04138%0.375CS..Hα-helixtrans-71.4-43.1176.3-77.2167.7000111.2K20 I21 L24 F52 L114 V115 I116 Q120 S121 I122K20-I118 HydrophobicContact CB-CD1 4.32Å; I21-I118 HydrophobicContact CG1-CD1 4.43Å; I21-I118 HydrophobicContact CG1-CG2 3.93Å; L24-I118 HydrophobicContact CB-CD1 3.74Å; L24-I118 HydrophobicContact CD2-CD1 3.47Å; L24-I118 VanDerWaalsContact CD2-CD1 3.47Å; L24-I118 HydrophobicContact CG-CD1 4.22Å; F52-I118 HydrophobicContact CE1-CG2 4.29Å; F52-I118 HydrophobicContact CE2-CG2 3.99Å; F52-I118 HydrophobicContact CZ-CG2 3.86Å; L114-I118 PolarHBondContact O-N 2.71Å; V115-I118 PolarHBondContact O-N 2.96Å; I116-I118 VanDerWaalsContact C-N 3.31Å; I116-I118 PolarHBondContact O-N 3.04Å; I118-Q120 VanDerWaalsContact C-N 3.33Å; I118-Q120 PolarHBondContact O-N 2.96Å; I118-S121 CarbonylContact O-C 3.57Å; I118-S121 WeakPolarHBondContact O-CB 3.38Å; I118-S121 PolarHBondContact O-N 2.95Å; I118-I122 HydrophobicContact CG2-CD1 3.7Å; I118-I122 HydrophobicContact CG2-CG1 4.23Å; I118-I122 VanDerWaalsContact O-CG1 3.3Å; I118-I122 WeakPolarHBondContact O-CG1 3.46Å; I118-I122 PolarHBondContact O-N 3.13Å
119Q97.9Very high95.4Very high30 Ų3068.3 Ų68.314%0.1435%0.351CS..Hα-helixtrans-54.2-49.5174.6-75.2167.8-4200111.1E51 F52 P78 V115 I116 S121 I122 E123E51-Q119 PolarHBondContact O-NE2 3.38Å; E51-Q119 PolarHBondContact OE2-NE2 3.37Å; F52-Q119 HydrophobicContact CB-CG 4.3Å; F52-Q119 HydrophobicContact CD1-CG 4.18Å; P78-Q119 HydrophobicContact CB-CG 4.45Å; P78-Q119 HydrophobicContact CG-CB 4.23Å; P78-Q119 HydrophobicContact CG-CG 4.09Å; V115-Q119 HydrophobicContact CG1-CG 4.42Å; V115-Q119 WeakPolarHBondContact O-CG 3.32Å; V115-Q119 PolarHBondContact O-N 3.29Å; I116-Q119 PolarHBondContact O-N 3.05Å; Q119-S121 VanDerWaalsContact C-N 3.27Å; Q119-S121 PolarHBondContact O-N 3.13Å; Q119-I122 WeakPolarHBondContact O-CB 3.49Å; Q119-I122 PolarHBondContact O-N 3.5Å; Q119-I122 VanDerWaalsContact O-N 3.11Å; Q119-E123 WeakPolarHBondContact O-CG 3.44Å; Q119-E123 PolarHBondContact O-N 3.35Å
120Q97.9Very high95.6Very high100 Ų10071.2 Ų71.247%0.46736%0.364SS..Hα-helixtrans-60.3-36.4176.1-69.9173.9-5.100112.9I116 I118 K124I116-Q120 WeakPolarHBondContact O-CG 3.45Å; I116-Q120 PolarHBondContact O-N 3.33Å; I118-Q120 VanDerWaalsContact C-N 3.33Å; I118-Q120 PolarHBondContact O-N 2.96Å; Q120-K124 WeakPolarHBondContact O-CD 3.41Å; Q120-K124 VanDerWaalsContact O-CG 3.24Å; Q120-K124 WeakPolarHBondContact O-CG 3.44Å; Q120-K124 PolarHBondContact O-N 3.38Å
121S98.2Very high95.7Very high33 Ų3366.4 Ų66.423%0.23134%0.344CS..Hα-helixtrans-71.2-33.8177.7-59.30000112.1S117 I118 Q119S117-S121 PolarHBondContact O-N 3.29Å; S117-S121 VanDerWaalsContact O-N 3.11Å; S117-S121 PolarHBondContact O-OG 3.43Å; I118-S121 CarbonylContact O-C 3.57Å; I118-S121 WeakPolarHBondContact O-CB 3.38Å; I118-S121 PolarHBondContact O-N 2.95Å; Q119-S121 VanDerWaalsContact C-N 3.27Å; Q119-S121 PolarHBondContact O-N 3.13Å
122I98.1Very high95.6Very high1 Ų170.3 Ų70.31%0.00536%0.364CS..Hα-helixtrans-69.2-47.5175.2-69.7169.3000110.3L17 F52 P78 Y79 V80 I118 Q119 K124 L125L17-I122 HydrophobicContact CD2-CG1 4.46Å; F52-I122 HydrophobicContact CB-CD1 4.46Å; F52-I122 HydrophobicContact CD2-CD1 3.74Å; F52-I122 HydrophobicContact CE2-CD1 4.25Å; F52-I122 HydrophobicContact CG-CD1 4.25Å; P78-I122 HydrophobicContact CB-CB 4.48Å; P78-I122 HydrophobicContact CB-CG2 4.03Å; Y79-I122 WeakPolarHBondContact O-CG2 3.31Å; V80-I122 HydrophobicContact CB-CD1 3.99Å; V80-I122 HydrophobicContact CB-CG1 3.9Å; V80-I122 HydrophobicContact CB-CG2 4.11Å; V80-I122 HydrophobicContact CG1-CD1 3.64Å; V80-I122 HydrophobicContact CG1-CG1 3.97Å; V80-I122 HydrophobicContact CG2-CG1 4.34Å; I118-I122 HydrophobicContact CG2-CD1 3.7Å; I118-I122 HydrophobicContact CG2-CG1 4.23Å; I118-I122 VanDerWaalsContact O-CG1 3.3Å; I118-I122 WeakPolarHBondContact O-CG1 3.46Å; I118-I122 PolarHBondContact O-N 3.13Å; Q119-I122 WeakPolarHBondContact O-CB 3.49Å; Q119-I122 PolarHBondContact O-N 3.5Å; Q119-I122 VanDerWaalsContact O-N 3.11Å; I122-K124 PolarHBondContact O-N 3.31Å; I122-L125 VanDerWaalsContact O-CB 3.29Å; I122-L125 WeakPolarHBondContact O-CB 3.41Å; I122-L125 PolarHBondContact O-N 2.94Å
123E96.2Very high95.6Very high100 Ų10070.6 Ų70.647%0.46737%0.369SS..Hα-helixtrans-58.4-37.3179.2-72.6168.7-179.600112P78 Q119 L125 L126P78-E123 HydrophobicContact CG-CG 4.41Å; Q119-E123 WeakPolarHBondContact O-CG 3.44Å; Q119-E123 PolarHBondContact O-N 3.35Å; E123-L125 PolarHBondContact O-N 3.37Å; E123-L126 PolarHBondContact O-N 3.4Å; E123-L126 VanDerWaalsContact O-N 3.1Å
124K96.6Very high95.6Very high144 Ų14469.2 Ų69.263%0.62635%0.353SS*.THydrogen-bonded Turntrans-63.9-15.3174.6-74.2171.3-173.81780114.6Q120 I122 L126Q120-K124 WeakPolarHBondContact O-CD 3.41Å; Q120-K124 VanDerWaalsContact O-CG 3.24Å; Q120-K124 WeakPolarHBondContact O-CG 3.44Å; Q120-K124 PolarHBondContact O-N 3.38Å; I122-K124 PolarHBondContact O-N 3.31Å; K124-L126 VanDerWaalsContact C-N 3.31Å
125L95.6Very high95.5Very high56 Ų5668.2 Ų68.229%0.29335%0.348SS..THydrogen-bonded Turntrans-80.3-15.2175.2-59.4178.5000113Y10 P11 L17 V80 I122 E123Y10-L125 PolarHBondContact OH-O 2.86Å; Y10-L125 VanDerWaalsContact OH-O 3.08Å; P11-L125 HydrophobicContact CB-CB 3.81Å; P11-L125 HydrophobicContact CB-CD1 4.16Å; P11-L125 HydrophobicContact CG-CB 4.48Å; L17-L125 HydrophobicContact CD2-CD1 3.84Å; L17-L125 HydrophobicContact CD2-CG 4.45Å; V80-L125 HydrophobicContact CG2-CD1 3.98Å; I122-L125 VanDerWaalsContact O-CB 3.29Å; I122-L125 WeakPolarHBondContact O-CB 3.41Å; I122-L125 PolarHBondContact O-N 2.94Å; E123-L125 PolarHBondContact O-N 3.37Å
126L88.9Confident95.3Very high83 Ų8373.5 Ų73.544%0.43537%0.374SS..  trans-99.8-0.9-177.3-64.9175.3000113.2Y10 P11 E123 K124Y10-L126 HydrophobicContact CD1-CD2 4.47Å; Y10-L126 HydrophobicContact CE1-CD2 3.67Å; P11-L126 HydrophobicContact CB-CD2 4.05Å; P11-L126 HydrophobicContact CG-CD2 3.76Å; P11-L126 HydrophobicContact CG-CG 4.21Å; E123-L126 PolarHBondContact O-N 3.4Å; E123-L126 VanDerWaalsContact O-N 3.1Å; K124-L126 VanDerWaalsContact C-N 3.31Å
127I81.5Confident95.2Very high198 Ų19873.6 Ų73.6100%1.01538%0.375SS*.  trans-103.40177-55.7170.4000108.4

Retrieved 127 of 127 residues in 37.3 ms (Link to these results)

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