A0A5K4F8A3_SCHMA Loading...

Pribosyltran domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8A3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 226 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
1M37.9Very low67Low242 Ų24296.5 Ų96.5100%1.19251%0.51SS*.  0118.30-67.6178.2-141.200106.8S3M1-S3 PolarHBondContact O-N 2.74Å
2A40.5Very low69.3Low101 Ų10197.8 Ų97.884%0.83552%0.515SS*.  trans-63.4122.1173.900000108R4A2-R4 PolarHBondContact O-N 3.28Å; A2-R4 VanDerWaalsContact O-N 3.17Å
3S48.8Very low71.2Confident77 Ų7792.1 Ų92.154%0.53848%0.484SS..  trans-59.5121.8178.855.50000108.6M1 E5M1-S3 PolarHBondContact O-N 2.74Å; S3-E5 PolarHBondContact O-N 3Å; S3-E5 PolarHBondContact OG-OE1 2.8Å
4R60.2Low72.7Confident100 Ų10091.7 Ų91.738%0.37748%0.482SS..  trans-79.275.2169.3-69.6178.8174.6-171.9-9.6106.8A2 Y6 I174 E188A2-R4 PolarHBondContact O-N 3.28Å; A2-R4 VanDerWaalsContact O-N 3.17Å; R4-Y6 HydrophobicContact CB-CE2 4.16Å; R4-Y6 WeakPolarHBondContact O-CD2 3.4Å; R4-Y6 PolarHBondContact O-N 3.32Å; R4-Y6 VanDerWaalsContact O-N 3.09Å; R4-I174 PolarHBondContact NH2-O 2.85Å; R4-E188 IonicContact CZ-OE1 2.75Å; R4-E188 IonicContact NH1-OE1 2.77Å; R4-E188 PolarHBondContact NH1-OE1 3.38Å; R4-E188 IonicContact NH1-OE2 3.97Å
5E64.5Low74Confident151 Ų15193.6 Ų93.671%0.70649%0.493SS*.  trans-74.8101.4178-77.5168.7-150.700109.1S3S3-E5 PolarHBondContact O-N 3Å; S3-E5 PolarHBondContact OG-OE1 2.8Å
6Y74.5Confident75.2Confident31 Ų3193.6 Ų93.612%0.12250%0.503CS..  trans-77.6159.7161.4-54.2-72.3000108.5R4 N8 C10 V185 E188R4-Y6 HydrophobicContact CB-CE2 4.16Å; R4-Y6 WeakPolarHBondContact O-CD2 3.4Å; R4-Y6 PolarHBondContact O-N 3.32Å; R4-Y6 VanDerWaalsContact O-N 3.09Å; Y6-N8 WeakPolarHBondContact CB-O 2.98Å; Y6-N8 PolarHBondContact O-N 3.13Å; Y6-N8 VanDerWaalsContact O-N 3.11Å; Y6-C10 HydrophobicContact CD2-CB 4.4Å; Y6-C10 VanDerWaalsContact CD2-SG 3.58Å; Y6-C10 WeakPolarHBondContact CE2-SG 3.36Å; Y6-V185 HydrophobicContact CD1-CB 4.33Å; Y6-V185 HydrophobicContact CD1-CG2 3.53Å; Y6-V185 HydrophobicContact CE1-CG2 3.69Å; Y6-V185 HydrophobicContact CG-CB 4.43Å; Y6-V185 HydrophobicContact CG-CG2 4.09Å; Y6-E188 WeakPolarHBondContact CE2-OE2 3.23Å; Y6-E188 PolarHBondContact OH-OE2 3.03Å
7K70Confident76.4Confident92 Ų9291.1 Ų91.140%0.449%0.485SS..SBendtrans-58.9-30-178.8-166.6-179.4-179.3-162.60112.3D59 T183K7-D59 WeakPolarHBondContact CD-OD2 3.47Å; K7-D59 WeakPolarHBondContact CE-OD2 3.22Å; K7-D59 IonicContact NZ-OD1 2.71Å; K7-D59 IonicContact NZ-OD2 3.15Å; K7-D59 PolarHBondContact NZ-OD2 3.12Å; K7-T183 HydrophobicContact CB-CG2 4.02Å; K7-T183 WeakPolarHBondContact CB-O 3.45Å; K7-T183 HydrophobicContact CD-CG2 3.63Å; K7-T183 HydrophobicContact CG-CG2 4.49Å; K7-T183 PolarHBondContact N-O 3.06Å
8N70Confident77.4Confident40 Ų4095.3 Ų95.321%0.21450%0.501CS..SBendtrans-135.6153.1175.8-65.6-61.7000109.9Y6 C10 D55 Y184Y6-N8 WeakPolarHBondContact CB-O 2.98Å; Y6-N8 PolarHBondContact O-N 3.13Å; Y6-N8 VanDerWaalsContact O-N 3.11Å; N8-C10 PolarHBondContact O-N 3.24Å; N8-D55 HydrophobicContact CB-CB 4.49Å; N8-Y184 WeakPolarHBondContact ND2-CE1 3.49Å
9D82Confident78.4Confident151 Ų15191.5 Ų91.581%0.80749%0.487SS*.PPolyproline II helixtrans-59.6129178.5-65.4-30.6000111R48D9-R48 PolarHBondContact O-NH2 3.2Å
10C92.8Very high79.3Confident17 Ų1792.1 Ų92.112%0.11548%0.484CS..PPolyproline II helixtrans-100.9164.5169.4720000110.6Y6 N8 I12 V185Y6-C10 HydrophobicContact CD2-CB 4.4Å; Y6-C10 VanDerWaalsContact CD2-SG 3.58Å; Y6-C10 WeakPolarHBondContact CE2-SG 3.36Å; N8-C10 PolarHBondContact O-N 3.24Å; C10-I12 PolarHBondContact O-N 3.07Å; C10-V185 HydrophobicContact CB-CB 3.78Å; C10-V185 HydrophobicContact CB-CG1 3.77Å; C10-V185 VanDerWaalsContact CB-O 3.23Å; C10-V185 WeakPolarHBondContact CB-O 3.44Å
11I95.7Very high80Confident59 Ų5990.3 Ų90.330%0.30348%0.479SS..EExtended strand (participates in β ladder)trans-80.4116.9173.1-66.1173.4000108.3F13 R48 G186 F187 E188I11-F13 HydrophobicContact CG2-CE1 4.09Å; I11-F13 HydrophobicContact CG2-CE2 4.04Å; I11-F13 HydrophobicContact CG2-CZ 3.75Å; I11-R48 HydrophobicContact CD1-CB 4.5Å; I11-R48 HydrophobicContact CD1-CG 4.41Å; I11-G186 PolarHBondContact N-O 2.99Å; I11-G186 VanDerWaalsContact N-O 3.12Å; I11-F187 HydrophobicContact CB-CD1 3.66Å; I11-F187 HydrophobicContact CB-CE1 4.05Å; I11-F187 HydrophobicContact CD1-CD1 4.19Å; I11-F187 HydrophobicContact CD1-CE1 3.65Å; I11-F187 HydrophobicContact CD1-CZ 4.44Å; I11-F187 HydrophobicContact CG1-CD1 4.45Å; I11-F187 HydrophobicContact CG1-CE1 4.38Å; I11-F187 HydrophobicContact CG2-CD1 3.89Å; I11-F187 HydrophobicContact CG2-CE1 4.25Å; I11-F187 CarbonylContact O-C 3.55Å; I11-F187 VanDerWaalsContact O-CA 3.28Å; I11-F187 WeakPolarHBondContact O-CA 3.3Å; I11-E188 PolarHBondContact O-N 2.96Å
12I94.3Very high82.6Confident112 Ų11279.4 Ų79.457%0.57443%0.427SS*.EExtended strand (participates in β ladder)trans-97.8111.5179.5-57.5174000108.4C10 E188C10-I12 PolarHBondContact O-N 3.07Å; I12-E188 HydrophobicContact CG1-CB 4.27Å
13F94.7Very high85Confident24 Ų2482.5 Ų82.511%0.10542%0.422CS..  trans-80.8152.7155.4-59.6-60.5000107.2I11 Y17 I40 M44 R173 F187 E188 V189I11-F13 HydrophobicContact CG2-CE1 4.09Å; I11-F13 HydrophobicContact CG2-CE2 4.04Å; I11-F13 HydrophobicContact CG2-CZ 3.75Å; F13-Y17 HydrophobicContact CB-CD1 3.66Å; F13-Y17 HydrophobicContact CB-CD2 4.48Å; F13-Y17 HydrophobicContact CB-CE1 4.29Å; F13-Y17 HydrophobicContact CB-CG 3.75Å; F13-Y17 AromaticContact CD1-CD1 3.82Å; F13-Y17 HydrophobicContact CD1-CD1 3.82Å; F13-Y17 AromaticContact CD1-CD2 3.7Å; F13-Y17 HydrophobicContact CD1-CD2 3.7Å; F13-Y17 AromaticContact CD1-CE1 3.74Å; F13-Y17 HydrophobicContact CD1-CE1 3.74Å; F13-Y17 AromaticContact CD1-CE2 3.65Å; F13-Y17 HydrophobicContact CD1-CE2 3.65Å; F13-Y17 AromaticContact CD1-CG 3.77Å; F13-Y17 HydrophobicContact CD1-CG 3.77Å; F13-Y17 AromaticContact CD1-CZ 3.65Å; F13-Y17 HydrophobicContact CD2-CD1 4.37Å; F13-Y17 HydrophobicContact CD2-CE1 4.18Å; F13-Y17 HydrophobicContact CE1-CD2 4.37Å; F13-Y17 HydrophobicContact CE1-CE1 4.11Å; F13-Y17 AromaticContact CE1-CE2 3.86Å; F13-Y17 HydrophobicContact CE1-CE2 3.86Å; F13-Y17 AromaticContact CE1-CZ 3.69Å; F13-Y17 HydrophobicContact CE2-CE1 4.49Å; F13-Y17 AromaticContact CG-CD1 3.67Å; F13-Y17 HydrophobicContact CG-CD1 3.67Å; F13-Y17 HydrophobicContact CG-CD2 4.35Å; F13-Y17 AromaticContact CG-CE1 3.78Å; F13-Y17 HydrophobicContact CG-CE1 3.78Å; F13-Y17 HydrophobicContact CG-CE2 4.46Å; F13-Y17 AromaticContact CG-CG 3.94Å; F13-Y17 HydrophobicContact CG-CG 3.94Å; F13-Y17 HydrophobicContact CZ-CE1 4.46Å; F13-I40 HydrophobicContact CE2-CD1 3.98Å; F13-I40 HydrophobicContact CE2-CG1 3.94Å; F13-M44 HydrophobicContact CZ-SD 3.91Å; F13-R173 PolarHBondContact O-NH1 3.17Å; F13-R173 PolarHBondContact O-NH2 2.92Å; F13-F187 HydrophobicContact CE2-CB 4.39Å; F13-F187 AromaticContact CE2-CD1 3.6Å; F13-F187 HydrophobicContact CE2-CD1 3.6Å; F13-F187 HydrophobicContact CE2-CE1 4.31Å; F13-F187 HydrophobicContact CE2-CG 4.36Å; F13-F187 HydrophobicContact CZ-CD1 4.17Å; F13-E188 PolarHBondContact N-O 2.9Å; F13-V189 HydrophobicContact CD2-CG1 4.19Å
14D91.4Very high87.2Confident87 Ų8784.1 Ų84.147%0.46542%0.424SS..  trans-107.4-178.11726431000110.5S16 Y17 R173D14-S16 PolarHBondContact O-N 2.62Å; D14-S16 WeakPolarHBondContact OD1-CA 3.27Å; D14-S16 VanDerWaalsContact OD1-CB 3.3Å; D14-S16 WeakPolarHBondContact OD1-CB 3.36Å; D14-S16 PolarHBondContact OD1-N 2.8Å; D14-S16 PolarHBondContact OD1-OG 2.91Å; D14-Y17 VanDerWaalsContact O-CB 3.27Å; D14-Y17 WeakPolarHBondContact O-CB 3.4Å; D14-Y17 PolarHBondContact O-N 2.71Å; D14-Y17 VanDerWaalsContact O-N 3.1Å; D14-Y17 PolarHBondContact OD1-N 2.73Å; D14-R173 VanDerWaalsContact CA-NH2 3.28Å; D14-R173 PolarHBondContact O-NH2 3.43Å
15D92Very high88.9Confident120 Ų12082.2 Ų82.264%0.64242%0.419SS*.THydrogen-bonded Turntrans-69.3-10.7-177.7-63.6-20.5000113.3R173D15-R173 IonicContact OD1-CZ 3.36Å; D15-R173 IonicContact OD1-NE 3.51Å; D15-R173 PolarHBondContact OD1-NE 2.84Å; D15-R173 IonicContact OD1-NH2 2.83Å
16S93.7Very high90.3Very high93 Ų9381 Ų8165%0.6542%0.422SS*.THydrogen-bonded Turntrans-86.8-5.2172.478.60000113.3D14 E18D14-S16 PolarHBondContact O-N 2.62Å; D14-S16 WeakPolarHBondContact OD1-CA 3.27Å; D14-S16 VanDerWaalsContact OD1-CB 3.3Å; D14-S16 WeakPolarHBondContact OD1-CB 3.36Å; D14-S16 PolarHBondContact OD1-N 2.8Å; D14-S16 PolarHBondContact OD1-OG 2.91Å; S16-E18 PolarHBondContact O-N 3.41Å
17Y95.6Very high91.2Very high52 Ų5280.5 Ų80.520%0.20442%0.421CS..  trans-71.8114-179.7179.8-111.9000112.4F13 D14 L39F13-Y17 HydrophobicContact CB-CD1 3.66Å; F13-Y17 HydrophobicContact CB-CD2 4.48Å; F13-Y17 HydrophobicContact CB-CE1 4.29Å; F13-Y17 HydrophobicContact CB-CG 3.75Å; F13-Y17 AromaticContact CD1-CD1 3.82Å; F13-Y17 HydrophobicContact CD1-CD1 3.82Å; F13-Y17 AromaticContact CD1-CD2 3.7Å; F13-Y17 HydrophobicContact CD1-CD2 3.7Å; F13-Y17 AromaticContact CD1-CE1 3.74Å; F13-Y17 HydrophobicContact CD1-CE1 3.74Å; F13-Y17 AromaticContact CD1-CE2 3.65Å; F13-Y17 HydrophobicContact CD1-CE2 3.65Å; F13-Y17 AromaticContact CD1-CG 3.77Å; F13-Y17 HydrophobicContact CD1-CG 3.77Å; F13-Y17 AromaticContact CD1-CZ 3.65Å; F13-Y17 HydrophobicContact CD2-CD1 4.37Å; F13-Y17 HydrophobicContact CD2-CE1 4.18Å; F13-Y17 HydrophobicContact CE1-CD2 4.37Å; F13-Y17 HydrophobicContact CE1-CE1 4.11Å; F13-Y17 AromaticContact CE1-CE2 3.86Å; F13-Y17 HydrophobicContact CE1-CE2 3.86Å; F13-Y17 AromaticContact CE1-CZ 3.69Å; F13-Y17 HydrophobicContact CE2-CE1 4.49Å; F13-Y17 AromaticContact CG-CD1 3.67Å; F13-Y17 HydrophobicContact CG-CD1 3.67Å; F13-Y17 HydrophobicContact CG-CD2 4.35Å; F13-Y17 AromaticContact CG-CE1 3.78Å; F13-Y17 HydrophobicContact CG-CE1 3.78Å; F13-Y17 HydrophobicContact CG-CE2 4.46Å; F13-Y17 AromaticContact CG-CG 3.94Å; F13-Y17 HydrophobicContact CG-CG 3.94Å; F13-Y17 HydrophobicContact CZ-CE1 4.46Å; D14-Y17 VanDerWaalsContact O-CB 3.27Å; D14-Y17 WeakPolarHBondContact O-CB 3.4Å; D14-Y17 PolarHBondContact O-N 2.71Å; D14-Y17 VanDerWaalsContact O-N 3.1Å; D14-Y17 PolarHBondContact OD1-N 2.73Å; Y17-L39 HydrophobicContact CD1-CD2 4.43Å; Y17-L39 HydrophobicContact CE1-CD2 4.33Å; Y17-L39 VanDerWaalsContact CE1-O 3.29Å; Y17-L39 WeakPolarHBondContact CE1-O 3.47Å; Y17-L39 PolarHBondContact OH-O 2.84Å
18E94Very high92.3Very high166 Ų16678.3 Ų78.378%0.77642%0.416SS*.  trans-91.6-8.2-177.5-60.8-174.7164.600114.4S16 T37S16-E18 PolarHBondContact O-N 3.41Å; E18-T37 WeakPolarHBondContact O-CG2 3.49Å; E18-T37 PolarHBondContact O-OG1 2.85Å
19G96.4Very high93.4Very high23 Ų2384.5 Ų84.524%0.23744%0.444CS..  trans66-152-17500000114.2
20Y97.4Very high93.9Very high104 Ų10481.5 Ų81.541%0.40843%0.432SS..BIsolated β-bridgetrans-117.5147.8-179.5-53.2-90.3000111.9A22 F25 I38 P41Y20-A22 PolarHBondContact O-N 3.41Å; Y20-F25 HydrophobicContact CG-CE2 4.16Å; Y20-F25 HydrophobicContact CG-CZ 4.31Å; Y20-I38 PolarHBondContact N-O 2.67Å; Y20-I38 PolarHBondContact O-N 3.44Å; Y20-P41 HydrophobicContact CD2-CG 3.82Å; Y20-P41 HydrophobicContact CE2-CG 3.72Å
21S94.5Very high93.9Very high55 Ų5581.3 Ų81.339%0.38543%0.429SS..  trans-65.3131.3174.1-173.80000111.5K23 N24S21-K23 PolarHBondContact O-N 3.39Å; S21-K23 VanDerWaalsContact O-N 3.16Å; S21-K23 WeakPolarHBondContact OG-CD 3.44Å; S21-K23 WeakPolarHBondContact OG-CG 3.42Å; S21-N24 PolarHBondContact O-N 2.57Å; S21-N24 VanDerWaalsContact O-N 3.13Å
22A91.1Very high93.8Very high12 Ų1283.6 Ų83.610%0.09944%0.439CS..G310 helixtrans-55.1-30.9177.300000113.5Y20 N24 F25 L27 I35Y20-A22 PolarHBondContact O-N 3.41Å; A22-N24 PolarHBondContact O-N 3.17Å; A22-F25 PolarHBondContact O-N 3.09Å; A22-L27 HydrophobicContact CB-CD1 3.79Å; A22-I35 HydrophobicContact CB-CG2 4.42Å
23K90.8Very high93.8Very high167 Ų16783.6 Ų83.673%0.72644%0.435SS*.G310 helixtrans-59.6-18178.579.4-169.2178.7175.80114.6S21 F25S21-K23 PolarHBondContact O-N 3.39Å; S21-K23 VanDerWaalsContact O-N 3.16Å; S21-K23 WeakPolarHBondContact OG-CD 3.44Å; S21-K23 WeakPolarHBondContact OG-CG 3.42Å; K23-F25 VanDerWaalsContact C-N 3.34Å
24N94.5Very high93.9Very high110 Ų11082.4 Ų82.459%0.58843%0.43SS*.G310 helixtrans-91.92.2179.4-61.2-30.4000112.5S21 A22S21-N24 PolarHBondContact O-N 2.57Å; S21-N24 VanDerWaalsContact O-N 3.13Å; A22-N24 PolarHBondContact O-N 3.17Å
25F96Very high94.1Very high61 Ų6178.8 Ų78.827%0.26841%0.41SS..SBendtrans-130.8161.3-176.1-66.8-93.1000110.6Y20 A22 K23 I38 P41 H210Y20-F25 HydrophobicContact CG-CE2 4.16Å; Y20-F25 HydrophobicContact CG-CZ 4.31Å; A22-F25 PolarHBondContact O-N 3.09Å; K23-F25 VanDerWaalsContact C-N 3.34Å; F25-I38 HydrophobicContact CB-CG1 4.44Å; F25-I38 HydrophobicContact CD2-CB 4.31Å; F25-I38 HydrophobicContact CD2-CG1 3.73Å; F25-I38 HydrophobicContact CD2-CG2 4.49Å; F25-I38 HydrophobicContact CE2-CB 4.3Å; F25-I38 HydrophobicContact CE2-CG1 4.21Å; F25-I38 HydrophobicContact CE2-CG2 4.33Å; F25-I38 HydrophobicContact CG-CG1 4.11Å; F25-I38 HydrophobicContact CZ-CG2 4.36Å; F25-P41 HydrophobicContact CE1-CB 3.93Å; F25-P41 HydrophobicContact CE1-CG 4Å; F25-P41 HydrophobicContact CZ-CB 4.27Å; F25-P41 HydrophobicContact CZ-CG 3.82Å; F25-H210 AromaticContact CD1-CD2 3.89Å; F25-H210 AromaticContact CD1-NE2 3.38Å; F25-H210 WeakPolarHBondContact CD1-NE2 3.44Å; F25-H210 AromaticContact CG-NE2 3.97Å
26T94.1Very high94.2Very high126 Ų12675.7 Ų75.777%0.77340%0.398SS*.  trans-91.6118.9172.5-52.20000109.1
27L94.2Very high94.3Very high19 Ų1972.8 Ų72.810%0.09938%0.376CS..  trans-118.9151.8174.8-63.5178.9000110A22 E29 E32 I35 I38 L208A22-L27 HydrophobicContact CB-CD1 3.79Å; L27-E29 PolarHBondContact O-N 3.49Å; L27-E32 HydrophobicContact CB-CB 4.5Å; L27-I35 HydrophobicContact CD1-CB 4.07Å; L27-I35 HydrophobicContact CD1-CG1 4.09Å; L27-I35 HydrophobicContact CD1-CG2 4.32Å; L27-I38 HydrophobicContact CD1-CD1 4.3Å; L27-I38 HydrophobicContact CD2-CD1 4.06Å; L27-L208 HydrophobicContact CD2-CD2 4.08Å
28P93.2Very high94.4Very high47 Ų4770.3 Ų70.331%0.30537%0.366SS..  trans-59.5132.7167.7-20.133000110.4P30 Y31 E32 L208P28-P30 VanDerWaalsContact C-N 3.27Å; P28-P30 VanDerWaalsContact O-N 3.15Å; P28-Y31 HydrophobicContact CB-CD2 3.96Å; P28-Y31 HydrophobicContact CB-CE2 4.4Å; P28-Y31 HydrophobicContact CG-CD2 4.08Å; P28-Y31 HydrophobicContact CG-CE2 4.49Å; P28-Y31 PolarHBondContact O-N 3.33Å; P28-E32 PolarHBondContact O-N 3.32Å; P28-L208 HydrophobicContact CG-CD2 3.95Å
29E92.7Very high94.6Very high170 Ų17062.7 Ų62.779%0.79433%0.331SS*.Hα-helixtrans-47.5-40.6179.4-176.1-176.2179.400113.8L27 Y31 E32L27-E29 PolarHBondContact O-N 3.49Å; E29-Y31 PolarHBondContact O-N 2.73Å; E29-E32 PolarHBondContact O-N 3.04Å
30P92.1Very high94.7Very high87 Ų8761.6 Ų61.657%0.56532%0.32SS*.Hα-helixtrans-60.6-20.4179.4-2636.3000115.3P28 H34P28-P30 VanDerWaalsContact C-N 3.27Å; P28-P30 VanDerWaalsContact O-N 3.15Å; P30-H34 PolarHBondContact O-CE1 3.16Å; P30-H34 PolarHBondContact O-ND1 3.44Å
31Y94.5Very high94.7Very high13 Ų1357.6 Ų57.65%0.05131%0.307CS..Hα-helixtrans-115.1-13.3-173.8-54.2-47.8000114.3P28 E29 K33 H34 I35 Q204 F205 E207 L208 F222P28-Y31 HydrophobicContact CB-CD2 3.96Å; P28-Y31 HydrophobicContact CB-CE2 4.4Å; P28-Y31 HydrophobicContact CG-CD2 4.08Å; P28-Y31 HydrophobicContact CG-CE2 4.49Å; P28-Y31 PolarHBondContact O-N 3.33Å; E29-Y31 PolarHBondContact O-N 2.73Å; Y31-K33 VanDerWaalsContact C-N 3.25Å; Y31-K33 PolarHBondContact O-N 3.11Å; Y31-H34 WeakPolarHBondContact O-CA 3.39Å; Y31-H34 WeakPolarHBondContact O-CB 3.41Å; Y31-H34 PolarHBondContact O-N 3.31Å; Y31-I35 PolarHBondContact O-N 2.9Å; Y31-Q204 HydrophobicContact CE1-CB 4.44Å; Y31-F205 AromaticContact CD1-CD1 3.4Å; Y31-F205 HydrophobicContact CD1-CD1 3.4Å; Y31-F205 VanDerWaalsContact CD1-CD1 3.4Å; Y31-F205 AromaticContact CD1-CE1 3.22Å; Y31-F205 HydrophobicContact CD1-CE1 3.22Å; Y31-F205 HydrophobicContact CD1-CG 4.35Å; Y31-F205 HydrophobicContact CD1-CZ 4.04Å; Y31-F205 HydrophobicContact CD2-CD1 4.13Å; Y31-F205 AromaticContact CE1-CD1 3.81Å; Y31-F205 HydrophobicContact CE1-CD1 3.81Å; Y31-F205 AromaticContact CE1-CE1 3.89Å; Y31-F205 HydrophobicContact CE1-CE1 3.89Å; Y31-F205 HydrophobicContact CE1-CG 4.34Å; Y31-F205 HydrophobicContact CE1-CZ 4.44Å; Y31-F205 HydrophobicContact CE2-CD1 4.49Å; Y31-F205 AromaticContact CG-CD1 3.57Å; Y31-F205 HydrophobicContact CG-CD1 3.57Å; Y31-F205 AromaticContact CG-CE1 3.67Å; Y31-F205 HydrophobicContact CG-CE1 3.67Å; Y31-E207 HydrophobicContact CE2-CG 4Å; Y31-E207 WeakPolarHBondContact CE2-OE1 3.39Å; Y31-E207 VanDerWaalsContact CZ-OE1 3.27Å; Y31-E207 PolarHBondContact OH-OE1 3.36Å; Y31-E207 PolarHBondContact OH-OE2 3.18Å; Y31-L208 HydrophobicContact CD2-CD2 3.77Å; Y31-L208 HydrophobicContact CD2-CG 4.25Å; Y31-L208 HydrophobicContact CG-CD2 4.49Å; Y31-F222 HydrophobicContact CD1-CE2 4.41Å; Y31-F222 HydrophobicContact CD1-CZ 4.01Å; Y31-F222 HydrophobicContact CE1-CE1 4.37Å; Y31-F222 AromaticContact CE1-CZ 3.98Å; Y31-F222 HydrophobicContact CE1-CZ 3.98Å
32E93.1Very high94.8Very high108 Ų10855 Ų5551%0.50529%0.289SS..Hα-helixtrans-54.5-43.5-170.7-172.8179.3169.300111.9L27 P28 E29 H34L27-E32 HydrophobicContact CB-CB 4.5Å; P28-E32 PolarHBondContact O-N 3.32Å; E29-E32 PolarHBondContact O-N 3.04Å; E32-H34 VanDerWaalsContact C-N 3.25Å; E32-H34 PolarHBondContact O-N 3.42Å
33K94.7Very high95.2Very high111 Ų11155.9 Ų55.948%0.48330%0.299SS..THydrogen-bonded Turntrans-72.1-12.9178.267.5172-179126.90114.6Y31 N215 E217 E221Y31-K33 VanDerWaalsContact C-N 3.25Å; Y31-K33 PolarHBondContact O-N 3.11Å; K33-N215 PolarHBondContact O-ND2 3.31Å; K33-E217 IonicContact NZ-OE1 2.78Å; K33-E217 PolarHBondContact NZ-OE1 2.96Å; K33-E221 IonicContact NZ-OE2 2.87Å; K33-E221 PolarHBondContact NZ-OE2 3.05Å
34H96Very high95.5Very high0 Ų051.1 Ų51.10%028%0.28CS..THydrogen-bonded Turntrans-100.3-12.7-175.4-54.1116.7000113.6P30 Y31 E32 F205 V214 N215 G218 E221 F222P30-H34 PolarHBondContact O-CE1 3.16Å; P30-H34 PolarHBondContact O-ND1 3.44Å; Y31-H34 WeakPolarHBondContact O-CA 3.39Å; Y31-H34 WeakPolarHBondContact O-CB 3.41Å; Y31-H34 PolarHBondContact O-N 3.31Å; E32-H34 VanDerWaalsContact C-N 3.25Å; E32-H34 PolarHBondContact O-N 3.42Å; H34-F205 HydrophobicContact CB-CE1 4.21Å; H34-F205 HydrophobicContact CB-CZ 4.32Å; H34-V214 WeakPolarHBondContact O-CA 3.49Å; H34-N215 PolarHBondContact O-N 2.77Å; H34-N215 PolarHBondContact O-OD1 3.32Å; H34-G218 VanDerWaalsContact CD2-CA 3.47Å; H34-G218 WeakPolarHBondContact CD2-CA 3.48Å; H34-E221 IonicContact CD2-OE2 3.78Å; H34-E221 IonicContact CE1-OE1 3.74Å; H34-E221 IonicContact CE1-OE2 3.52Å; H34-E221 IonicContact NE2-OE1 3.68Å; H34-E221 IonicContact NE2-OE2 2.71Å; H34-E221 PolarHBondContact NE2-OE2 3.06Å; H34-F222 AromaticContact CE1-CE2 3.54Å; H34-F222 AromaticContact CE1-CZ 3.88Å; H34-F222 AromaticContact CG-CE2 3.87Å; H34-F222 AromaticContact ND1-CE2 3.54Å; H34-F222 AromaticContact NE2-CE2 3.91Å
35I96.5Very high95.7Very high10 Ų1045.9 Ų45.95%0.05125%0.252CS..EExtended strand (participates in β ladder)trans-90.4117.6178.7-59.2-48.9000109.7A22 L27 Y31 I38 V195 F205 L208 C212 V214A22-I35 HydrophobicContact CB-CG2 4.42Å; L27-I35 HydrophobicContact CD1-CB 4.07Å; L27-I35 HydrophobicContact CD1-CG1 4.09Å; L27-I35 HydrophobicContact CD1-CG2 4.32Å; Y31-I35 PolarHBondContact O-N 2.9Å; I35-I38 HydrophobicContact CG2-CD1 4.07Å; I35-V195 HydrophobicContact CD1-CG2 4.01Å; I35-F205 HydrophobicContact CD1-CD1 4.27Å; I35-F205 HydrophobicContact CD1-CE1 4.23Å; I35-L208 HydrophobicContact CD1-CD1 3.79Å; I35-L208 HydrophobicContact CG1-CD1 4.19Å; I35-C212 HydrophobicContact CD1-CB 3.93Å; I35-C212 HydrophobicContact CG1-CB 4.44Å; I35-C212 HydrophobicContact CG2-CB 3.84Å; I35-V214 HydrophobicContact CD1-CG2 4.49Å
36S92.9Very high95.8Very high56 Ų5649.5 Ų49.539%0.39226%0.264SS..EExtended strand (participates in β ladder)trans-72.7-45.4173.155.40000111.7A213S36-A213 PolarHBondContact N-O 3.07Å; S36-A213 VanDerWaalsContact OG-C 3.31Å; S36-A213 WeakPolarHBondContact OG-CB 3.28Å; S36-A213 PolarHBondContact OG-O 3.23Å
37T95.6Very high95.9Very high31 Ų3147.2 Ų47.219%0.1925%0.253CS..EExtended strand (participates in β ladder)trans-151.4140.4-167.8-69.10000110.5E18 L39 C212 A213E18-T37 WeakPolarHBondContact O-CG2 3.49Å; E18-T37 PolarHBondContact O-OG1 2.85Å; T37-L39 HydrophobicContact CG2-CD2 3.93Å; T37-L39 HydrophobicContact CG2-CG 4.33Å; T37-C212 CarbonylContact O-C 3.56Å; T37-C212 WeakPolarHBondContact O-CA 3.28Å; T37-A213 PolarHBondContact O-N 3.29Å
38I97.9Very high96.1Very high0 Ų047.3 Ų47.30%025%0.252CS..EExtended strand (participates in β ladder)trans-84.2104.2160.9-53.7-57.2000107.9Y20 F25 L27 I35 P41 H210 C212Y20-I38 PolarHBondContact N-O 2.67Å; Y20-I38 PolarHBondContact O-N 3.44Å; F25-I38 HydrophobicContact CB-CG1 4.44Å; F25-I38 HydrophobicContact CD2-CB 4.31Å; F25-I38 HydrophobicContact CD2-CG1 3.73Å; F25-I38 HydrophobicContact CD2-CG2 4.49Å; F25-I38 HydrophobicContact CE2-CB 4.3Å; F25-I38 HydrophobicContact CE2-CG1 4.21Å; F25-I38 HydrophobicContact CE2-CG2 4.33Å; F25-I38 HydrophobicContact CG-CG1 4.11Å; F25-I38 HydrophobicContact CZ-CG2 4.36Å; L27-I38 HydrophobicContact CD1-CD1 4.3Å; L27-I38 HydrophobicContact CD2-CD1 4.06Å; I35-I38 HydrophobicContact CG2-CD1 4.07Å; I38-P41 HydrophobicContact CG2-CG 4.27Å; I38-H210 HydrophobicContact CD1-CB 4.36Å; I38-H210 HydrophobicContact CG2-CB 3.88Å; I38-C212 WeakPolarHBondContact CD1-SG 3.34Å
39L97.9Very high96.3Very high6 Ų645.1 Ų45.13%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-74-46.6-179.8-68.6172.1000110.9Y17 T37 V192 I194 V211 A213Y17-L39 HydrophobicContact CD1-CD2 4.43Å; Y17-L39 HydrophobicContact CE1-CD2 4.33Å; Y17-L39 VanDerWaalsContact CE1-O 3.29Å; Y17-L39 WeakPolarHBondContact CE1-O 3.47Å; Y17-L39 PolarHBondContact OH-O 2.84Å; T37-L39 HydrophobicContact CG2-CD2 3.93Å; T37-L39 HydrophobicContact CG2-CG 4.33Å; L39-V192 HydrophobicContact CD1-CG2 3.67Å; L39-I194 HydrophobicContact CD1-CD1 4Å; L39-I194 HydrophobicContact CD1-CG1 3.8Å; L39-V211 HydrophobicContact CB-CG1 4.44Å; L39-V211 WeakPolarHBondContact CB-O 3.36Å; L39-V211 PolarHBondContact N-O 3.48Å; L39-A213 HydrophobicContact CD1-CB 4.16Å; L39-A213 HydrophobicContact CG-CB 4.25Å
40I98.4Very high96.5Very high0 Ų039.5 Ų39.50%021%0.213CC..EExtended strand (participates in β ladder)trans-137.3109.6-177.4-42.1-179.9000108.8F13 G42 M44 V45 L170 F187 V189 V211F13-I40 HydrophobicContact CE2-CD1 3.98Å; F13-I40 HydrophobicContact CE2-CG1 3.94Å; I40-G42 PolarHBondContact O-N 3.44Å; I40-M44 HydrophobicContact CG2-CB 4.08Å; I40-M44 HydrophobicContact CG2-CG 4.01Å; I40-M44 HydrophobicContact CG2-SD 3.92Å; I40-V45 HydrophobicContact CB-CG2 4.28Å; I40-V45 HydrophobicContact CG2-CG2 3.68Å; I40-L170 HydrophobicContact CD1-CD2 3.66Å; I40-F187 HydrophobicContact CD1-CB 3.71Å; I40-F187 HydrophobicContact CD1-CD1 3.76Å; I40-F187 HydrophobicContact CD1-CD2 3.68Å; I40-F187 HydrophobicContact CD1-CE1 4.27Å; I40-F187 HydrophobicContact CD1-CE2 4.22Å; I40-F187 HydrophobicContact CD1-CG 3.44Å; I40-F187 VanDerWaalsContact CD1-CG 3.44Å; I40-F187 HydrophobicContact CD1-CZ 4.48Å; I40-F187 HydrophobicContact CG2-CD1 4.37Å; I40-F187 HydrophobicContact CG2-CE1 3.84Å; I40-F187 HydrophobicContact CG2-CE2 4.2Å; I40-F187 HydrophobicContact CG2-CZ 3.76Å; I40-V189 HydrophobicContact CD1-CG1 3.97Å; I40-V211 HydrophobicContact CB-CB 3.88Å; I40-V211 HydrophobicContact CB-CG2 4.16Å; I40-V211 HydrophobicContact CD1-CB 4.38Å; I40-V211 HydrophobicContact CD1-CG1 4.45Å; I40-V211 HydrophobicContact CD1-CG2 4.43Å; I40-V211 HydrophobicContact CG1-CB 4.1Å; I40-V211 HydrophobicContact CG1-CG1 4.41Å; I40-V211 PolarHBondContact N-O 3.22Å; I40-V211 PolarHBondContact O-N 3.05Å
41P98.2Very high96.8Very high21 Ų2141.6 Ų41.614%0.13621%0.21CC..  trans-57139.3171.9-26.436000111.1Y20 F25 I38 G43 M44 V45Y20-P41 HydrophobicContact CD2-CG 3.82Å; Y20-P41 HydrophobicContact CE2-CG 3.72Å; F25-P41 HydrophobicContact CE1-CB 3.93Å; F25-P41 HydrophobicContact CE1-CG 4Å; F25-P41 HydrophobicContact CZ-CB 4.27Å; F25-P41 HydrophobicContact CZ-CG 3.82Å; I38-P41 HydrophobicContact CG2-CG 4.27Å; P41-G43 PolarHBondContact O-N 2.69Å; P41-M44 WeakPolarHBondContact O-CA 3.42Å; P41-M44 WeakPolarHBondContact O-CB 3.37Å; P41-M44 PolarHBondContact O-N 2.92Å; P41-V45 PolarHBondContact O-N 3.34Å; P41-V45 VanDerWaalsContact O-N 3.16Å
42G97.5Very high96.9Very high1 Ų141 Ų411%0.0121%0.208CC..Hα-helixtrans-58.8-26.3-178.300000114I40 V45 R46 P209 H210I40-G42 PolarHBondContact O-N 3.44Å; G42-V45 PolarHBondContact O-N 3.09Å; G42-R46 WeakPolarHBondContact O-CG 3.33Å; G42-R46 PolarHBondContact O-N 3.29Å; G42-R46 VanDerWaalsContact O-N 3.11Å; G42-R46 PolarHBondContact O-NH1 3.37Å; G42-P209 WeakPolarHBondContact CA-O 3.38Å; G42-H210 PolarHBondContact N-ND1 2.75Å
43G97.6Very high97.1Very high30 Ų3035.9 Ų35.931%0.30918%0.184SC..Hα-helixtrans-64.2-42.3171.300000113P41 V45 R46 S47P41-G43 PolarHBondContact O-N 2.69Å; G43-V45 VanDerWaalsContact C-N 3.34Å; G43-R46 PolarHBondContact O-N 3.01Å; G43-S47 PolarHBondContact O-N 3.36Å; G43-S47 VanDerWaalsContact O-N 3.09Å; G43-S47 PolarHBondContact O-OG 2.77Å
44M98.2Very high97.2Very high67 Ų6732.8 Ų32.833%0.3317%0.172SC..Hα-helixtrans-66.3-38.4176178.6178.5-96.900111.1F13 I40 P41 S47 R48 F187F13-M44 HydrophobicContact CZ-SD 3.91Å; I40-M44 HydrophobicContact CG2-CB 4.08Å; I40-M44 HydrophobicContact CG2-CG 4.01Å; I40-M44 HydrophobicContact CG2-SD 3.92Å; P41-M44 WeakPolarHBondContact O-CA 3.42Å; P41-M44 WeakPolarHBondContact O-CB 3.37Å; P41-M44 PolarHBondContact O-N 2.92Å; M44-S47 PolarHBondContact O-N 3.28Å; M44-R48 WeakPolarHBondContact O-CB 3.26Å; M44-R48 PolarHBondContact O-N 3.05Å; M44-F187 HydrophobicContact CG-CE1 3.91Å; M44-F187 HydrophobicContact CG-CZ 4.05Å; M44-F187 HydrophobicContact SD-CE1 4.03Å
45V98.4Very high97.2Very high0 Ų033.2 Ų33.20%017%0.174CC..Hα-helixtrans-55.8-54.1172.6178.20000110.1I40 P41 G42 G43 S47 R48 L49 L169 F187 Y197 V211I40-V45 HydrophobicContact CB-CG2 4.28Å; I40-V45 HydrophobicContact CG2-CG2 3.68Å; P41-V45 PolarHBondContact O-N 3.34Å; P41-V45 VanDerWaalsContact O-N 3.16Å; G42-V45 PolarHBondContact O-N 3.09Å; G43-V45 VanDerWaalsContact C-N 3.34Å; V45-S47 PolarHBondContact O-N 3.48Å; V45-R48 WeakPolarHBondContact O-CA 3.34Å; V45-R48 WeakPolarHBondContact O-CB 3.46Å; V45-R48 PolarHBondContact O-N 3.34Å; V45-L49 HydrophobicContact CG1-CD1 4.28Å; V45-L49 HydrophobicContact CG1-CG 4.27Å; V45-L49 WeakPolarHBondContact O-CG 3.33Å; V45-L49 PolarHBondContact O-N 2.83Å; V45-L169 HydrophobicContact CG1-CD1 3.77Å; V45-L169 HydrophobicContact CG1-CD2 4.39Å; V45-F187 HydrophobicContact CG2-CE2 4.25Å; V45-Y197 HydrophobicContact CB-CE2 4.44Å; V45-Y197 HydrophobicContact CG1-CD1 4.15Å; V45-Y197 HydrophobicContact CG1-CE1 3.5Å; V45-Y197 VanDerWaalsContact CG1-CE1 3.5Å; V45-Y197 HydrophobicContact CG1-CE2 3.99Å; V45-Y197 VanDerWaalsContact CG1-CZ 3.4Å; V45-Y197 WeakPolarHBondContact CG1-OH 3.48Å; V45-V211 HydrophobicContact CG2-CG2 4.22Å
46R97.4Very high97.2Very high136 Ų13632.8 Ų32.851%0.51317%0.172SC..Hα-helixtrans-55.6-47.3179.4-71.1-174.8-64-90.25.9113.1G42 G43 R48 L49 D50G42-R46 WeakPolarHBondContact O-CG 3.33Å; G42-R46 PolarHBondContact O-N 3.29Å; G42-R46 VanDerWaalsContact O-N 3.11Å; G42-R46 PolarHBondContact O-NH1 3.37Å; G43-R46 PolarHBondContact O-N 3.01Å; R46-R48 VanDerWaalsContact C-N 3.27Å; R46-R48 PolarHBondContact O-N 3.15Å; R46-L49 WeakPolarHBondContact O-CB 3.4Å; R46-L49 PolarHBondContact O-N 3.03Å; R46-L49 VanDerWaalsContact O-N 3.11Å; R46-D50 PolarHBondContact O-N 2.49Å; R46-D50 VanDerWaalsContact O-N 3.07Å
47S97.8Very high97.4Very high79 Ų7930.1 Ų30.155%0.55215%0.154SC*.Hα-helixtrans-63-33.1177-61.40000113G43 M44 V45 R51G43-S47 PolarHBondContact O-N 3.36Å; G43-S47 VanDerWaalsContact O-N 3.09Å; G43-S47 PolarHBondContact O-OG 2.77Å; M44-S47 PolarHBondContact O-N 3.28Å; V45-S47 PolarHBondContact O-N 3.48Å; S47-R51 PolarHBondContact O-N 3.24Å
48R97.8Very high97.5Very high20 Ų2031.3 Ų31.38%0.07516%0.159CC..Hα-helixtrans-69.5-38.7174-178.656.8-173.2140.53.3111.4D9 I11 M44 V45 R46 D50 R51 M52 D55 V185 G186 F187D9-R48 PolarHBondContact O-NH2 3.2Å; I11-R48 HydrophobicContact CD1-CB 4.5Å; I11-R48 HydrophobicContact CD1-CG 4.41Å; M44-R48 WeakPolarHBondContact O-CB 3.26Å; M44-R48 PolarHBondContact O-N 3.05Å; V45-R48 WeakPolarHBondContact O-CA 3.34Å; V45-R48 WeakPolarHBondContact O-CB 3.46Å; V45-R48 PolarHBondContact O-N 3.34Å; R46-R48 VanDerWaalsContact C-N 3.27Å; R46-R48 PolarHBondContact O-N 3.15Å; R48-D50 VanDerWaalsContact C-N 3.32Å; R48-D50 PolarHBondContact O-N 3.44Å; R48-R51 PolarHBondContact O-N 2.88Å; R48-M52 HydrophobicContact CG-CG 4.3Å; R48-M52 HydrophobicContact CG-SD 4.1Å; R48-M52 WeakPolarHBondContact O-CG 3.24Å; R48-M52 PolarHBondContact O-N 3.19Å; R48-D55 IonicContact NH1-OD2 3.83Å; R48-V185 PolarHBondContact NH2-O 2.75Å; R48-G186 PolarHBondContact NE-O 3.15Å; R48-G186 VanDerWaalsContact NE-O 3.12Å; R48-F187 HydrophobicContact CB-CE1 4.24Å; R48-F187 HydrophobicContact CB-CE2 3.85Å; R48-F187 HydrophobicContact CB-CZ 3.44Å; R48-F187 VanDerWaalsContact CB-CZ 3.44Å; R48-F187 HydrophobicContact CG-CE1 4.32Å; R48-F187 HydrophobicContact CG-CE2 3.83Å; R48-F187 HydrophobicContact CG-CZ 3.73Å
49L97.9Very high97.4Very high1 Ų132 Ų321%0.00516%0.163CC..Hα-helixtrans-61.6-38.2175.8-61.8-173.5000112.4V45 R46 R51 M52 S53 F80 D83 L84 Y197V45-L49 HydrophobicContact CG1-CD1 4.28Å; V45-L49 HydrophobicContact CG1-CG 4.27Å; V45-L49 WeakPolarHBondContact O-CG 3.33Å; V45-L49 PolarHBondContact O-N 2.83Å; R46-L49 WeakPolarHBondContact O-CB 3.4Å; R46-L49 PolarHBondContact O-N 3.03Å; R46-L49 VanDerWaalsContact O-N 3.11Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.07Å; L49-M52 HydrophobicContact CD2-SD 4.04Å; L49-M52 PolarHBondContact O-N 3.01Å; L49-S53 WeakPolarHBondContact O-CB 3.36Å; L49-S53 PolarHBondContact O-N 2.72Å; L49-S53 PolarHBondContact O-OG 2.8Å; L49-F80 HydrophobicContact CD1-CD2 4.39Å; L49-F80 HydrophobicContact CD2-CD2 3.53Å; L49-F80 HydrophobicContact CD2-CE2 3.32Å; L49-D83 HydrophobicContact CD1-CB 3.4Å; L49-D83 VanDerWaalsContact CD1-CB 3.4Å; L49-L84 HydrophobicContact CD2-CD1 4.45Å; L49-Y197 WeakPolarHBondContact CD1-OH 3.44Å
50D97.3Very high97.3Very high53 Ų5331.8 Ų31.828%0.28316%0.161SC..Hα-helixtrans-54.6-50.7172.8-75.7-48.5000111.5R46 R48 S53 I54 Y91R46-D50 PolarHBondContact O-N 2.49Å; R46-D50 VanDerWaalsContact O-N 3.07Å; R48-D50 VanDerWaalsContact C-N 3.32Å; R48-D50 PolarHBondContact O-N 3.44Å; D50-S53 PolarHBondContact O-N 3.14Å; D50-I54 WeakPolarHBondContact O-CG1 3.41Å; D50-I54 PolarHBondContact O-N 2.95Å; D50-Y91 HydrophobicContact CB-CE2 4.17Å; D50-Y91 WeakPolarHBondContact CB-OH 3.2Å; D50-Y91 VanDerWaalsContact CG-OH 3.31Å; D50-Y91 WeakPolarHBondContact OD1-CE2 3.44Å; D50-Y91 PolarHBondContact OD1-OH 3.04Å
51R97.1Very high97.2Very high131 Ų13134.3 Ų34.349%0.49417%0.173SC..Hα-helixtrans-66.2-43.9179.318062.4-158.7-1626.7112.1S47 R48 L49 S53 I54 D55S47-R51 PolarHBondContact O-N 3.24Å; R48-R51 PolarHBondContact O-N 2.88Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.07Å; R51-S53 VanDerWaalsContact C-N 3.28Å; R51-S53 PolarHBondContact O-N 2.84Å; R51-I54 WeakPolarHBondContact O-CB 3.06Å; R51-I54 PolarHBondContact O-N 3.1Å; R51-I54 VanDerWaalsContact O-N 3.15Å; R51-D55 IonicContact CZ-OD1 2.79Å; R51-D55 IonicContact NE-OD1 2.61Å; R51-D55 PolarHBondContact NE-OD1 3.12Å; R51-D55 IonicContact NE-OD2 3.96Å; R51-D55 PolarHBondContact NE-OD2 2.91Å; R51-D55 IonicContact NH2-OD1 3.58Å; R51-D55 PolarHBondContact NH2-OD1 2.84Å; R51-D55 PolarHBondContact O-N 2.82Å
52M97.6Very high97Very high1 Ų141 Ų411%0.00520%0.2CC..Hα-helixtrans-57.5-42.6177-71.817771.500111.5R48 L49 I54 D55 I56 F80 L84 A167 G186R48-M52 HydrophobicContact CG-CG 4.3Å; R48-M52 HydrophobicContact CG-SD 4.1Å; R48-M52 WeakPolarHBondContact O-CG 3.24Å; R48-M52 PolarHBondContact O-N 3.19Å; L49-M52 HydrophobicContact CD2-SD 4.04Å; L49-M52 PolarHBondContact O-N 3.01Å; M52-I54 VanDerWaalsContact C-N 3.33Å; M52-I54 PolarHBondContact O-N 3.46Å; M52-D55 PolarHBondContact O-N 2.88Å; M52-I56 WeakPolarHBondContact O-CB 3.34Å; M52-I56 WeakPolarHBondContact O-CD1 3.41Å; M52-I56 WeakPolarHBondContact O-CG1 3.28Å; M52-I56 PolarHBondContact O-N 2.88Å; M52-F80 HydrophobicContact CE-CE2 4.23Å; M52-F80 HydrophobicContact CE-CZ 3.92Å; M52-L84 HydrophobicContact CB-CD1 4.4Å; M52-A167 HydrophobicContact CE-CB 4.46Å; M52-G186 WeakPolarHBondContact SD-CA 3.22Å
53S97.4Very high96.9Very high0 Ų044.1 Ų44.10%022%0.222CC..Hα-helixtrans-61.8-39.6177.4-73.90000112.4L49 D50 R51 L57 L84 T87 L88L49-S53 WeakPolarHBondContact O-CB 3.36Å; L49-S53 PolarHBondContact O-N 2.72Å; L49-S53 PolarHBondContact O-OG 2.8Å; D50-S53 PolarHBondContact O-N 3.14Å; R51-S53 VanDerWaalsContact C-N 3.28Å; R51-S53 PolarHBondContact O-N 2.84Å; S53-L57 WeakPolarHBondContact O-CB 3.33Å; S53-L57 WeakPolarHBondContact O-CD1 3.33Å; S53-L57 WeakPolarHBondContact O-CG 3.5Å; S53-L57 PolarHBondContact O-N 2.93Å; S53-L57 VanDerWaalsContact O-N 3.09Å; S53-L84 WeakPolarHBondContact OG-CD1 3.22Å; S53-T87 WeakPolarHBondContact OG-CB 3.5Å; S53-T87 PolarHBondContact OG-OG1 2.84Å; S53-L88 PolarHBondContact OG-N 2.86Å
54I95.9Very high96.8Very high46 Ų4644.9 Ų44.924%0.23623%0.23CC..Hα-helixtrans-63.5-48.1174.2-66.4166.8000110.8D50 R51 M52 I56 L57 D58 Y91 R95D50-I54 WeakPolarHBondContact O-CG1 3.41Å; D50-I54 PolarHBondContact O-N 2.95Å; R51-I54 WeakPolarHBondContact O-CB 3.06Å; R51-I54 PolarHBondContact O-N 3.1Å; R51-I54 VanDerWaalsContact O-N 3.15Å; M52-I54 VanDerWaalsContact C-N 3.33Å; M52-I54 PolarHBondContact O-N 3.46Å; I54-I56 PolarHBondContact O-N 2.92Å; I54-L57 PolarHBondContact O-N 2.91Å; I54-D58 WeakPolarHBondContact O-CB 3.46Å; I54-D58 VanDerWaalsContact O-CG 3.31Å; I54-D58 PolarHBondContact O-N 3.26Å; I54-Y91 HydrophobicContact CD1-CD1 4.45Å; I54-Y91 HydrophobicContact CD1-CE1 4.05Å; I54-Y91 HydrophobicContact CG1-CD1 4.06Å; I54-Y91 HydrophobicContact CG1-CD2 4.48Å; I54-Y91 HydrophobicContact CG1-CE1 4.13Å; I54-Y91 HydrophobicContact CG1-CG 4.26Å; I54-R95 PolarHBondContact O-NH2 2.68Å; I54-R95 VanDerWaalsContact O-NH2 3.09Å
55D96.4Very high96.8Very high9 Ų941.9 Ų41.95%0.04822%0.215CC..Hα-helixtrans-61.3-45.5-178.6-65.7-29.7000111.8N8 R48 R51 M52 D58 D59N8-D55 HydrophobicContact CB-CB 4.49Å; R48-D55 IonicContact NH1-OD2 3.83Å; R51-D55 IonicContact CZ-OD1 2.79Å; R51-D55 IonicContact NE-OD1 2.61Å; R51-D55 PolarHBondContact NE-OD1 3.12Å; R51-D55 IonicContact NE-OD2 3.96Å; R51-D55 PolarHBondContact NE-OD2 2.91Å; R51-D55 IonicContact NH2-OD1 3.58Å; R51-D55 PolarHBondContact NH2-OD1 2.84Å; R51-D55 PolarHBondContact O-N 2.82Å; M52-D55 PolarHBondContact O-N 2.88Å; D55-D58 PolarHBondContact O-N 2.92Å; D55-D59 PolarHBondContact O-N 3.41Å; D55-D59 VanDerWaalsContact O-N 3.16Å
56I97.1Very high96.6Very high0 Ų047.5 Ų47.50%024%0.239CC..Hα-helixtrans-60.8-47.4177.6-70.3163.2000110.9M52 I54 D59 Y60 L84 L88 L137 Y184M52-I56 WeakPolarHBondContact O-CB 3.34Å; M52-I56 WeakPolarHBondContact O-CD1 3.41Å; M52-I56 WeakPolarHBondContact O-CG1 3.28Å; M52-I56 PolarHBondContact O-N 2.88Å; I54-I56 PolarHBondContact O-N 2.92Å; I56-D59 PolarHBondContact O-N 3.12Å; I56-Y60 HydrophobicContact CG2-CD2 3.64Å; I56-Y60 HydrophobicContact CG2-CE2 3.34Å; I56-Y60 WeakPolarHBondContact O-CD2 3.43Å; I56-Y60 PolarHBondContact O-N 3.12Å; I56-L84 HydrophobicContact CD1-CD1 4.21Å; I56-L84 HydrophobicContact CD1-CD2 4.4Å; I56-L88 HydrophobicContact CB-CD2 4.1Å; I56-L88 HydrophobicContact CG2-CD2 3.87Å; I56-L137 HydrophobicContact CD1-CD2 4.15Å; I56-L137 HydrophobicContact CG2-CD2 4.41Å; I56-Y184 HydrophobicContact CB-CE1 4.41Å; I56-Y184 HydrophobicContact CD1-CD2 4.24Å; I56-Y184 HydrophobicContact CD1-CG 4.19Å; I56-Y184 HydrophobicContact CG1-CD1 3.63Å; I56-Y184 HydrophobicContact CG1-CD2 3.74Å; I56-Y184 HydrophobicContact CG1-CE1 3.68Å; I56-Y184 HydrophobicContact CG1-CE2 3.77Å; I56-Y184 HydrophobicContact CG1-CG 3.67Å
57L97.2Very high96.7Very high1 Ų143 Ų431%0.00523%0.229CC..Hα-helixtrans-68.3-38.2-178.4-70.4168.2000111.8S53 I54 D59 Y60 E61 L88 I99S53-L57 WeakPolarHBondContact O-CB 3.33Å; S53-L57 WeakPolarHBondContact O-CD1 3.33Å; S53-L57 WeakPolarHBondContact O-CG 3.5Å; S53-L57 PolarHBondContact O-N 2.93Å; S53-L57 VanDerWaalsContact O-N 3.09Å; I54-L57 PolarHBondContact O-N 2.91Å; L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 2.74Å; L57-Y60 PolarHBondContact O-N 2.92Å; L57-E61 WeakPolarHBondContact O-CB 3.35Å; L57-E61 WeakPolarHBondContact O-CG 3.34Å; L57-E61 PolarHBondContact O-N 3.26Å; L57-L88 HydrophobicContact CD1-CD2 4.21Å; L57-L88 HydrophobicContact CD2-CD2 4.16Å; L57-L88 HydrophobicContact CG-CD2 3.79Å; L57-I99 HydrophobicContact CD2-CB 4.19Å; L57-I99 HydrophobicContact CD2-CD1 3.79Å
58D95.8Very high96.7Very high55 Ų5539.3 Ų39.329%0.29420%0.203SC..Hα-helixtrans-59.1-44.5175.6-77.55.2000111.2I54 D55 E61 K62 R95I54-D58 WeakPolarHBondContact O-CB 3.46Å; I54-D58 VanDerWaalsContact O-CG 3.31Å; I54-D58 PolarHBondContact O-N 3.26Å; D55-D58 PolarHBondContact O-N 2.92Å; D58-E61 PolarHBondContact O-N 3Å; D58-K62 WeakPolarHBondContact O-CB 3.4Å; D58-K62 WeakPolarHBondContact O-CG 3.48Å; D58-K62 PolarHBondContact O-N 3.37Å; D58-R95 IonicContact OD1-CZ 2.73Å; D58-R95 IonicContact OD1-NH1 3.85Å; D58-R95 PolarHBondContact OD1-NH1 3.21Å; D58-R95 IonicContact OD1-NH2 3.64Å; D58-R95 PolarHBondContact OD1-NH2 2.63Å
59D96.1Very high96.7Very high16 Ų1641.1 Ų41.19%0.08621%0.21CC..Hα-helixtrans-67.1-39.3178.9-77.7-15.7000112.7K7 D55 I56 L57 K62 S63 Y184K7-D59 WeakPolarHBondContact CD-OD2 3.47Å; K7-D59 WeakPolarHBondContact CE-OD2 3.22Å; K7-D59 IonicContact NZ-OD1 2.71Å; K7-D59 IonicContact NZ-OD2 3.15Å; K7-D59 PolarHBondContact NZ-OD2 3.12Å; D55-D59 PolarHBondContact O-N 3.41Å; D55-D59 VanDerWaalsContact O-N 3.16Å; I56-D59 PolarHBondContact O-N 3.12Å; L57-D59 VanDerWaalsContact C-N 3.31Å; L57-D59 PolarHBondContact O-N 2.74Å; D59-K62 IonicContact OD1-NZ 3.3Å; D59-S63 WeakPolarHBondContact O-CB 3.37Å; D59-S63 PolarHBondContact O-N 3.3Å; D59-S63 VanDerWaalsContact O-N 3.13Å; D59-S63 PolarHBondContact O-OG 3.33Å; D59-Y184 PolarHBondContact OD2-OH 3.29Å
60Y96.4Very high96.7Very high1 Ų141 Ų410%0.00421%0.21CC..Hα-helixtrans-67.2-41.1174.5-77.6-28.4000112.7I56 L57 S63 G64 V65 V68 Y165I56-Y60 HydrophobicContact CG2-CD2 3.64Å; I56-Y60 HydrophobicContact CG2-CE2 3.34Å; I56-Y60 WeakPolarHBondContact O-CD2 3.43Å; I56-Y60 PolarHBondContact O-N 3.12Å; L57-Y60 PolarHBondContact O-N 2.92Å; Y60-S63 CarbonylContact O-C 3.54Å; Y60-S63 PolarHBondContact O-N 2.88Å; Y60-G64 PolarHBondContact O-N 2.92Å; Y60-G64 VanDerWaalsContact O-N 3.12Å; Y60-V65 HydrophobicContact CD1-CB 4.13Å; Y60-V65 HydrophobicContact CD1-CG1 4.2Å; Y60-V65 HydrophobicContact CD1-CG2 3.79Å; Y60-V65 HydrophobicContact CG-CB 4.17Å; Y60-V65 HydrophobicContact CG-CG1 4.15Å; Y60-V65 HydrophobicContact CG-CG2 4.33Å; Y60-V65 WeakPolarHBondContact O-CB 3.39Å; Y60-V65 PolarHBondContact O-N 3.09Å; Y60-V68 HydrophobicContact CD2-CG1 4.49Å; Y60-V68 HydrophobicContact CE2-CB 4.01Å; Y60-V68 HydrophobicContact CE2-CG1 4.12Å; Y60-V68 HydrophobicContact CE2-CG2 3.7Å; Y60-V68 WeakPolarHBondContact OH-CG2 3.32Å; Y60-Y165 HydrophobicContact CD1-CE2 4.42Å; Y60-Y165 AromaticContact CE1-CD2 3.62Å; Y60-Y165 HydrophobicContact CE1-CD2 3.62Å; Y60-Y165 AromaticContact CE1-CE2 3.71Å; Y60-Y165 HydrophobicContact CE1-CE2 3.71Å
61E95.3Very high96.8Very high52 Ų5238.5 Ų38.524%0.24320%0.197CC..Hα-helixtrans-63.6-45.3175.5-74.8-173.4145.800111.9L57 D58 S63 G64 R95 S97 I99L57-E61 WeakPolarHBondContact O-CB 3.35Å; L57-E61 WeakPolarHBondContact O-CG 3.34Å; L57-E61 PolarHBondContact O-N 3.26Å; D58-E61 PolarHBondContact O-N 3Å; E61-S63 PolarHBondContact O-N 3.4Å; E61-G64 PolarHBondContact O-N 3.15Å; E61-R95 WeakPolarHBondContact OE1-CB 3.37Å; E61-R95 WeakPolarHBondContact OE1-CD 3.13Å; E61-R95 IonicContact OE1-NH1 2.67Å; E61-R95 IonicContact OE2-CZ 2.73Å; E61-R95 IonicContact OE2-NH1 3.09Å; E61-R95 PolarHBondContact OE2-NH1 3.04Å; E61-S97 WeakPolarHBondContact OE1-CB 3.25Å; E61-I99 HydrophobicContact CG-CD1 3.76Å
62K95.3Very high96.8Very high161 Ų16132.3 Ų32.370%0.717%0.173SC*.Hα-helixtrans-58-32.6174.6-72.6167.4-168.2163.60112.2D58 D59 G64D58-K62 WeakPolarHBondContact O-CB 3.4Å; D58-K62 WeakPolarHBondContact O-CG 3.48Å; D58-K62 PolarHBondContact O-N 3.37Å; D59-K62 IonicContact OD1-NZ 3.3Å; K62-G64 VanDerWaalsContact C-N 3.35Å
63S95Very high96.8Very high67 Ų6732.6 Ų32.647%0.46918%0.175SC..THydrogen-bonded Turntrans-89.73.6179.8-520000113.7D59 Y60 E61 V65D59-S63 WeakPolarHBondContact O-CB 3.37Å; D59-S63 PolarHBondContact O-N 3.3Å; D59-S63 VanDerWaalsContact O-N 3.13Å; D59-S63 PolarHBondContact O-OG 3.33Å; Y60-S63 CarbonylContact O-C 3.54Å; Y60-S63 PolarHBondContact O-N 2.88Å; E61-S63 PolarHBondContact O-N 3.4Å; S63-V65 VanDerWaalsContact C-N 3.26Å; S63-V65 PolarHBondContact O-N 3.44Å
64G96Very high96.8Very high47 Ų4735 Ų3549%0.48519%0.187SC..THydrogen-bonded Turntrans68.61918000000114.7Y60 E61 K62Y60-G64 PolarHBondContact O-N 2.92Å; Y60-G64 VanDerWaalsContact O-N 3.12Å; E61-G64 PolarHBondContact O-N 3.15Å; K62-G64 VanDerWaalsContact C-N 3.35Å
65V96.9Very high96.7Very high3 Ų338.3 Ų38.32%0.01820%0.2CC..  trans-66.8137.2176.8173.70000109.6Y60 S63 S67 I99 D135Y60-V65 HydrophobicContact CD1-CB 4.13Å; Y60-V65 HydrophobicContact CD1-CG1 4.2Å; Y60-V65 HydrophobicContact CD1-CG2 3.79Å; Y60-V65 HydrophobicContact CG-CB 4.17Å; Y60-V65 HydrophobicContact CG-CG1 4.15Å; Y60-V65 HydrophobicContact CG-CG2 4.33Å; Y60-V65 WeakPolarHBondContact O-CB 3.39Å; Y60-V65 PolarHBondContact O-N 3.09Å; S63-V65 VanDerWaalsContact C-N 3.26Å; S63-V65 PolarHBondContact O-N 3.44Å; V65-S67 WeakPolarHBondContact CG1-O 3.29Å; V65-I99 HydrophobicContact CG1-CG2 4.38Å; V65-D135 HydrophobicContact CG1-CB 4.05Å; V65-D135 HydrophobicContact CG2-CB 4.38Å
66K96.1Very high96.6Very high118 Ų11838.3 Ų38.351%0.51320%0.202SC..  trans-118.6-15.2177.9-63.6-58.9-177.6-169.90113.5S97 K100K66-S97 PolarHBondContact NZ-O 3.2Å; K66-K100 PolarHBondContact O-N 2.56Å
67S97.5Very high96.5Very high42 Ų4238.3 Ų38.329%0.29420%0.202SC..EExtended strand (participates in β ladder)trans-151.1138.617659.50000110.3V65 K100V65-S67 WeakPolarHBondContact CG1-O 3.29Å; S67-K100 CarbonylContact C-O 3.55Å; S67-K100 WeakPolarHBondContact CA-O 3.5Å
68V98.2Very high96.5Very high2 Ų242.4 Ų42.41%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-130141.7175.561.60000110.3Y60 I99 K100 V101 S102 D135 L137Y60-V68 HydrophobicContact CD2-CG1 4.49Å; Y60-V68 HydrophobicContact CE2-CB 4.01Å; Y60-V68 HydrophobicContact CE2-CG1 4.12Å; Y60-V68 HydrophobicContact CE2-CG2 3.7Å; Y60-V68 WeakPolarHBondContact OH-CG2 3.32Å; V68-I99 HydrophobicContact CG1-CG2 4.07Å; V68-K100 PolarHBondContact N-O 2.89Å; V68-V101 HydrophobicContact CG1-CB 4.37Å; V68-V101 HydrophobicContact CG1-CG1 4.16Å; V68-V101 HydrophobicContact CG1-CG2 4.1Å; V68-S102 PolarHBondContact O-N 2.85Å; V68-D135 WeakPolarHBondContact CA-O 3.27Å; V68-L137 HydrophobicContact CG2-CB 4.15Å
69Y98.3Very high96.6Very high57 Ų5741.9 Ų41.922%0.22422%0.215CC..EExtended strand (participates in β ladder)trans-101.5120.4167.7-76.1-92.6000110.4F131 K134 D135 V136 L137Y69-F131 HydrophobicContact CD1-CD1 4.31Å; Y69-F131 AromaticContact CD1-CE1 3.75Å; Y69-F131 HydrophobicContact CD1-CE1 3.75Å; Y69-F131 HydrophobicContact CD2-CD1 4.41Å; Y69-F131 AromaticContact CG-CD1 3.98Å; Y69-F131 HydrophobicContact CG-CD1 3.98Å; Y69-F131 AromaticContact CG-CE1 3.78Å; Y69-F131 HydrophobicContact CG-CE1 3.78Å; Y69-K134 HydrophobicContact CD2-CB 3.96Å; Y69-K134 HydrophobicContact CD2-CG 4.05Å; Y69-K134 HydrophobicContact CE2-CB 4.27Å; Y69-K134 HydrophobicContact CE2-CD 4.15Å; Y69-K134 HydrophobicContact CE2-CG 3.87Å; Y69-D135 PolarHBondContact N-O 3.46Å; Y69-V136 CarbonylContact O-C 3.54Å; Y69-V136 WeakPolarHBondContact O-CA 3.37Å; Y69-L137 PolarHBondContact O-N 3.09Å
70I98.5Very high96.7Very high0 Ų041.2 Ų41.20%021%0.211CC..EExtended strand (participates in β ladder)trans-78.2131164.6-63.5-176.8000108.3F85 L88 V101 S102 I103 D104 L137 V139I70-F85 HydrophobicContact CD1-CB 4Å; I70-F85 HydrophobicContact CD1-CD2 3.92Å; I70-F85 HydrophobicContact CD1-CG 4.48Å; I70-L88 HydrophobicContact CD1-CD1 3.61Å; I70-L88 HydrophobicContact CG1-CD1 4.49Å; I70-V101 HydrophobicContact CD1-CG1 3.8Å; I70-V101 HydrophobicContact CG1-CG1 4.07Å; I70-S102 PolarHBondContact N-O 3.34Å; I70-I103 HydrophobicContact CB-CB 4.41Å; I70-I103 HydrophobicContact CB-CG1 4.18Å; I70-I103 HydrophobicContact CG2-CD1 4.22Å; I70-I103 HydrophobicContact CG2-CG1 4.07Å; I70-I103 CarbonylContact O-C 3.57Å; I70-I103 WeakPolarHBondContact O-CA 3.41Å; I70-D104 PolarHBondContact O-N 2.93Å; I70-L137 CarbonylContact C-O 3.57Å; I70-L137 WeakPolarHBondContact CA-O 3.28Å; I70-L137 HydrophobicContact CG1-CD2 4.45Å; I70-V139 HydrophobicContact CG2-CB 4.15Å; I70-V139 HydrophobicContact CG2-CG2 3.57Å
71I98.3Very high96.8Very high0 Ų041.1 Ų41.10%021%0.211CC..EExtended strand (participates in β ladder)trans-111104.2168.2-61.9-178.2000107.6I73 D104 L106 M128 F131 V136 L137 V139 V156I71-I73 HydrophobicContact CG2-CD1 4.16Å; I71-D104 WeakPolarHBondContact CA-O 3.38Å; I71-L106 HydrophobicContact CG2-CB 4.19Å; I71-L106 HydrophobicContact CG2-CD1 3.59Å; I71-L106 HydrophobicContact CG2-CG 3.49Å; I71-L106 VanDerWaalsContact CG2-CG 3.49Å; I71-M128 HydrophobicContact CD1-CE 4.35Å; I71-F131 HydrophobicContact CD1-CD1 4.35Å; I71-F131 HydrophobicContact CD1-CD2 4.14Å; I71-F131 HydrophobicContact CD1-CE1 4.02Å; I71-F131 HydrophobicContact CD1-CE2 3.8Å; I71-F131 HydrophobicContact CD1-CG 4.4Å; I71-F131 HydrophobicContact CD1-CZ 3.71Å; I71-F131 HydrophobicContact CG1-CE1 4.06Å; I71-F131 HydrophobicContact CG1-CE2 4.39Å; I71-F131 HydrophobicContact CG1-CZ 3.83Å; I71-V136 HydrophobicContact CD1-CG1 3.5Å; I71-V136 VanDerWaalsContact CD1-CG1 3.5Å; I71-V136 HydrophobicContact CG1-CG1 3.86Å; I71-L137 PolarHBondContact N-O 3.37Å; I71-V139 PolarHBondContact O-N 2.91Å; I71-V156 HydrophobicContact CD1-CG1 4.24Å; I71-V156 HydrophobicContact CD1-CG2 4.02Å
72C98.2Very high96.9Very high0 Ų041.8 Ų41.80%022%0.221CC..EExtended strand (participates in β ladder)trans-76.7125.2175.21740000110.2L74 A81 I103 D104 F105 L106C72-L74 PolarHBondContact O-N 3.15Å; C72-A81 HydrophobicContact CB-CB 3.63Å; C72-A81 WeakPolarHBondContact SG-CB 3.41Å; C72-I103 HydrophobicContact CB-CD1 4.45Å; C72-D104 PolarHBondContact N-O 3.11Å; C72-F105 HydrophobicContact CB-CD1 3.6Å; C72-F105 HydrophobicContact CB-CE1 3.87Å; C72-F105 HydrophobicContact CB-CG 4.49Å; C72-F105 WeakPolarHBondContact O-CA 3.4Å; C72-L106 PolarHBondContact O-N 3.16Å
73I96.9Very high97Very high8 Ų836.5 Ų36.54%0.04120%0.201CC..EExtended strand (participates in β ladder)trans-86.2112.9173.7-52.2-53.4000109.3I71 G77 L106 A108 I138 V139 E140 L152I71-I73 HydrophobicContact CG2-CD1 4.16Å; I73-G77 VanDerWaalsContact O-CA 3.3Å; I73-G77 WeakPolarHBondContact O-CA 3.28Å; I73-G77 PolarHBondContact O-N 3.17Å; I73-L106 WeakPolarHBondContact CA-O 3.45Å; I73-L106 HydrophobicContact CD1-CB 4Å; I73-L106 HydrophobicContact CD1-CD1 4.23Å; I73-A108 HydrophobicContact CG2-CB 3.79Å; I73-I138 HydrophobicContact CD1-CG2 3.97Å; I73-I138 HydrophobicContact CG1-CG2 3.86Å; I73-V139 PolarHBondContact N-O 3.23Å; I73-E140 HydrophobicContact CB-CB 4.46Å; I73-E140 HydrophobicContact CB-CG 4.41Å; I73-E140 HydrophobicContact CG1-CB 4.32Å; I73-L152 HydrophobicContact CD1-CD1 3.93Å; I73-L152 HydrophobicContact CD1-CD2 3.81Å; I73-L152 HydrophobicContact CD1-CG 4.44Å; I73-L152 HydrophobicContact CG1-CD1 3.91Å; I73-L152 HydrophobicContact CG2-CD1 4Å
74L96.7Very high97.2Very high49 Ų4933.3 Ų33.326%0.25718%0.179SC..EExtended strand (participates in β ladder)trans-86.8150.1179.3-67.1178.5000111.3C72 F78 F105 L106 A108C72-L74 PolarHBondContact O-N 3.15Å; L74-F78 HydrophobicContact CD2-CB 3.88Å; L74-F105 HydrophobicContact CD1-CB 3.86Å; L74-F105 HydrophobicContact CD1-CD1 4.08Å; L74-F105 HydrophobicContact CD1-CG 4.27Å; L74-F105 HydrophobicContact CD2-CD1 3.99Å; L74-F105 HydrophobicContact CG-CB 4.26Å; L74-F105 HydrophobicContact CG-CD1 4.06Å; L74-L106 PolarHBondContact N-O 3.19Å; L74-A108 PolarHBondContact O-N 2.87Å
75K94.6Very high97.3Very high116 Ų11633 Ų3350%0.50416%0.164SC..THydrogen-bonded Turncis-86.6-380.5-63.5-179.1-167.9170.10113G77 F78 D203K75-G77 VanDerWaalsContact C-N 3.31Å; K75-G77 PolarHBondContact O-N 3.07Å; K75-F78 VanDerWaalsContact O-CD1 3.3Å; K75-F78 WeakPolarHBondContact O-CD1 3.45Å; K75-F78 PolarHBondContact O-N 2.91Å; K75-D203 IonicContact NZ-OD1 3.05Å; K75-D203 PolarHBondContact NZ-OD1 3.36Å; K75-D203 IonicContact NZ-OD2 2.93Å; K75-D203 PolarHBondContact NZ-OD2 3.34Å
76G93.9Very high97.3Very high9 Ų938.5 Ų38.59%0.09319%0.187CC..THydrogen-bonded Turntrans-57.6-36.3-164.900000115.5F78 D141 G198G76-F78 PolarHBondContact O-N 3.16Å; G76-F78 VanDerWaalsContact O-N 3.17Å; G76-D141 VanDerWaalsContact CA-OD2 3.22Å; G76-D141 WeakPolarHBondContact CA-OD2 3.27Å; G76-G198 CarbonylContact O-C 3.5Å
77G95.3Very high97.4Very high0 Ų033.6 Ų33.60%017%0.167CC..THydrogen-bonded Turntrans-68.4-10.9-178.900000115.8I73 K75 K79 F80 A81I73-G77 VanDerWaalsContact O-CA 3.3Å; I73-G77 WeakPolarHBondContact O-CA 3.28Å; I73-G77 PolarHBondContact O-N 3.17Å; K75-G77 VanDerWaalsContact C-N 3.31Å; K75-G77 PolarHBondContact O-N 3.07Å; G77-K79 PolarHBondContact O-N 2.83Å; G77-F80 PolarHBondContact O-N 3.25Å; G77-A81 VanDerWaalsContact O-CB 3.29Å; G77-A81 WeakPolarHBondContact O-CB 3.49Å; G77-A81 PolarHBondContact O-N 3.38Å
78F97Very high97.4Very high87 Ų8731.7 Ų31.738%0.38215%0.154SC..Hα-helixtrans-61.2-42.6-166.990-84.6000114.6L74 K75 G76 S82L74-F78 HydrophobicContact CD2-CB 3.88Å; K75-F78 VanDerWaalsContact O-CD1 3.3Å; K75-F78 WeakPolarHBondContact O-CD1 3.45Å; K75-F78 PolarHBondContact O-N 2.91Å; G76-F78 PolarHBondContact O-N 3.16Å; G76-F78 VanDerWaalsContact O-N 3.17Å; F78-S82 VanDerWaalsContact O-CB 3.23Å; F78-S82 WeakPolarHBondContact O-CB 3.21Å; F78-S82 PolarHBondContact O-N 3.32Å
79K97.4Very high97.4Very high45 Ų4535.8 Ų35.820%0.19617%0.173CC..Hα-helixtrans-67.2-48.5-179.1-74.7-159.3-177.8169.20110.6G77 S82 D83 Y197 R206 E207 L208G77-K79 PolarHBondContact O-N 2.83Å; K79-S82 PolarHBondContact O-N 3Å; K79-D83 PolarHBondContact O-N 2.9Å; K79-Y197 HydrophobicContact CB-CD1 4.43Å; K79-Y197 HydrophobicContact CB-CE1 4.39Å; K79-R206 WeakPolarHBondContact CE-O 3.19Å; K79-R206 PolarHBondContact NZ-O 3.11Å; K79-E207 PolarHBondContact NZ-O 3.35Å; K79-E207 VanDerWaalsContact NZ-O 3.14Å; K79-L208 PolarHBondContact NZ-O 3.43Å
80F98.3Very high97.3Very high1 Ų137.9 Ų37.90%0.00419%0.185CC..Hα-helixtrans-58.9-49.2176.4169.6-140.1000111.5L49 M52 G77 S82 D83 L84 V139 E140 A167 L169 Y197L49-F80 HydrophobicContact CD1-CD2 4.39Å; L49-F80 HydrophobicContact CD2-CD2 3.53Å; L49-F80 HydrophobicContact CD2-CE2 3.32Å; M52-F80 HydrophobicContact CE-CE2 4.23Å; M52-F80 HydrophobicContact CE-CZ 3.92Å; G77-F80 PolarHBondContact O-N 3.25Å; F80-S82 VanDerWaalsContact C-N 3.34Å; F80-S82 PolarHBondContact O-N 3.47Å; F80-D83 PolarHBondContact O-N 3.14Å; F80-L84 HydrophobicContact CD2-CB 4.23Å; F80-L84 HydrophobicContact CE2-CB 4.03Å; F80-L84 HydrophobicContact CE2-CD1 4.41Å; F80-L84 HydrophobicContact CE2-CD2 3.91Å; F80-L84 HydrophobicContact CE2-CG 4.34Å; F80-L84 HydrophobicContact CZ-CD2 3.93Å; F80-L84 WeakPolarHBondContact O-CB 3.42Å; F80-L84 PolarHBondContact O-N 3.44Å; F80-V139 HydrophobicContact CD1-CG1 3.43Å; F80-V139 VanDerWaalsContact CD1-CG1 3.43Å; F80-V139 HydrophobicContact CE1-CG1 3.39Å; F80-V139 HydrophobicContact CG-CG1 4.14Å; F80-V139 HydrophobicContact CZ-CG1 4.05Å; F80-E140 WeakPolarHBondContact CD1-O 3.32Å; F80-E140 VanDerWaalsContact CE1-O 3.23Å; F80-E140 WeakPolarHBondContact CE1-O 3.49Å; F80-A167 HydrophobicContact CE1-CB 4.5Å; F80-A167 HydrophobicContact CZ-CB 4.14Å; F80-L169 HydrophobicContact CB-CB 4.34Å; F80-L169 HydrophobicContact CB-CD2 4.42Å; F80-L169 HydrophobicContact CD1-CB 3.74Å; F80-L169 HydrophobicContact CD2-CB 4.14Å; F80-L169 HydrophobicContact CD2-CD1 4.43Å; F80-L169 HydrophobicContact CE1-CB 3.99Å; F80-L169 HydrophobicContact CE2-CB 4.39Å; F80-L169 HydrophobicContact CG-CB 3.81Å; F80-L169 HydrophobicContact CZ-CB 4.32Å; F80-Y197 HydrophobicContact CB-CE1 4.22Å
81A98.3Very high97.3Very high0 Ų041.2 Ų41.20%020%0.198CC..Hα-helixtrans-61.9-40179.100000112.6C72 G77 F85 V139C72-A81 HydrophobicContact CB-CB 3.63Å; C72-A81 WeakPolarHBondContact SG-CB 3.41Å; G77-A81 VanDerWaalsContact O-CB 3.29Å; G77-A81 WeakPolarHBondContact O-CB 3.49Å; G77-A81 PolarHBondContact O-N 3.38Å; A81-F85 WeakPolarHBondContact O-CB 3.44Å; A81-F85 PolarHBondContact O-N 2.85Å; A81-V139 HydrophobicContact CB-CB 4.21Å; A81-V139 HydrophobicContact CB-CG1 3.74Å
82S98Very high97.2Very high65 Ų6541.2 Ų41.246%0.45520%0.198SC..Hα-helixtrans-62.6-50.4176.1178.50000112F78 K79 F80 F85 K86F78-S82 VanDerWaalsContact O-CB 3.23Å; F78-S82 WeakPolarHBondContact O-CB 3.21Å; F78-S82 PolarHBondContact O-N 3.32Å; K79-S82 PolarHBondContact O-N 3Å; F80-S82 VanDerWaalsContact C-N 3.34Å; F80-S82 PolarHBondContact O-N 3.47Å; S82-F85 PolarHBondContact O-N 3.03Å; S82-K86 PolarHBondContact O-N 3.21Å
83D98.1Very high97Very high51 Ų5149 Ų4927%0.27323%0.232SC..Hα-helixtrans-69.2-37.9-178.5-74.5-6.1000111.6L49 K79 F80 T87 Y197L49-D83 HydrophobicContact CD1-CB 3.4Å; L49-D83 VanDerWaalsContact CD1-CB 3.4Å; K79-D83 PolarHBondContact O-N 2.9Å; F80-D83 PolarHBondContact O-N 3.14Å; D83-T87 WeakPolarHBondContact O-CG2 3.23Å; D83-T87 PolarHBondContact O-N 3.13Å; D83-T87 PolarHBondContact O-OG1 2.83Å; D83-Y197 PolarHBondContact OD2-OH 3.09Å
84L98.5Very high96.7Very high0 Ų054 Ų540%026%0.263CS..Hα-helixtrans-66-44.1173.9-174.668.5000111.4L49 M52 S53 I56 F80 K86 T87 L88 L137 V139 A167L49-L84 HydrophobicContact CD2-CD1 4.45Å; M52-L84 HydrophobicContact CB-CD1 4.4Å; S53-L84 WeakPolarHBondContact OG-CD1 3.22Å; I56-L84 HydrophobicContact CD1-CD1 4.21Å; I56-L84 HydrophobicContact CD1-CD2 4.4Å; F80-L84 HydrophobicContact CD2-CB 4.23Å; F80-L84 HydrophobicContact CE2-CB 4.03Å; F80-L84 HydrophobicContact CE2-CD1 4.41Å; F80-L84 HydrophobicContact CE2-CD2 3.91Å; F80-L84 HydrophobicContact CE2-CG 4.34Å; F80-L84 HydrophobicContact CZ-CD2 3.93Å; F80-L84 WeakPolarHBondContact O-CB 3.42Å; F80-L84 PolarHBondContact O-N 3.44Å; L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 3.49Å; L84-T87 WeakPolarHBondContact CA-OG1 3.4Å; L84-T87 PolarHBondContact O-N 3.38Å; L84-T87 PolarHBondContact O-OG1 3.29Å; L84-T87 VanDerWaalsContact O-OG1 3.06Å; L84-L88 HydrophobicContact CD1-CD1 4.42Å; L84-L88 HydrophobicContact CD1-CG 4.39Å; L84-L88 HydrophobicContact CD2-CD1 4.41Å; L84-L88 HydrophobicContact CG-CD1 3.9Å; L84-L88 HydrophobicContact CG-CG 4.31Å; L84-L88 VanDerWaalsContact O-CB 3.31Å; L84-L88 WeakPolarHBondContact O-CB 3.19Å; L84-L88 VanDerWaalsContact O-CG 3.27Å; L84-L88 WeakPolarHBondContact O-CG 3.37Å; L84-L88 PolarHBondContact O-N 2.88Å; L84-L137 HydrophobicContact CD2-CD2 4.35Å; L84-V139 HydrophobicContact CD2-CG1 4.33Å; L84-V139 HydrophobicContact CD2-CG2 4.04Å; L84-A167 HydrophobicContact CD2-CB 4.22Å
85F98.4Very high96.5Very high41 Ų4153.6 Ų53.618%0.1826%0.258CS..Hα-helixtrans-58.1-46.5176.6174.6-107.3000111.4I70 A81 S82 L88 Q89 V101 I103I70-F85 HydrophobicContact CD1-CB 4Å; I70-F85 HydrophobicContact CD1-CD2 3.92Å; I70-F85 HydrophobicContact CD1-CG 4.48Å; A81-F85 WeakPolarHBondContact O-CB 3.44Å; A81-F85 PolarHBondContact O-N 2.85Å; S82-F85 PolarHBondContact O-N 3.03Å; F85-L88 PolarHBondContact O-N 2.88Å; F85-Q89 HydrophobicContact CE2-CG 4.3Å; F85-Q89 VanDerWaalsContact CZ-CD 3.45Å; F85-Q89 HydrophobicContact CZ-CG 4.27Å; F85-Q89 WeakPolarHBondContact O-CG 3.34Å; F85-Q89 PolarHBondContact O-N 2.8Å; F85-V101 HydrophobicContact CD2-CB 4.48Å; F85-V101 HydrophobicContact CD2-CG1 3.64Å; F85-V101 HydrophobicContact CE2-CB 4.25Å; F85-V101 HydrophobicContact CE2-CG1 3.8Å; F85-I103 HydrophobicContact CB-CD1 4.26Å; F85-I103 HydrophobicContact CD2-CB 4.01Å; F85-I103 HydrophobicContact CD2-CG2 4.47Å; F85-I103 HydrophobicContact CE1-CG2 4.49Å; F85-I103 HydrophobicContact CE2-CB 4.01Å; F85-I103 HydrophobicContact CE2-CG2 4.16Å; F85-I103 HydrophobicContact CG-CD1 4.33Å; F85-I103 HydrophobicContact CZ-CG2 4.16Å
86K97.9Very high96.2Very high117 Ų11760.1 Ų60.151%0.50928%0.28SS..Hα-helixtrans-58.1-53.9176.4179-174.6168.6-171.40111.5S82 L84 L88 Q89 E90S82-K86 PolarHBondContact O-N 3.21Å; L84-K86 VanDerWaalsContact C-N 3.33Å; L84-K86 PolarHBondContact O-N 3.49Å; K86-L88 PolarHBondContact O-N 3.06Å; K86-Q89 WeakPolarHBondContact O-CB 3.01Å; K86-Q89 PolarHBondContact O-N 2.78Å; K86-Q89 VanDerWaalsContact O-N 3.17Å; K86-E90 WeakPolarHBondContact CE-OE1 3.46Å; K86-E90 IonicContact NZ-OE1 3.59Å; K86-E90 WeakPolarHBondContact O-CG 3.42Å; K86-E90 PolarHBondContact O-N 3.03Å
87T97.6Very high96Very high15 Ų1561.7 Ų61.79%0.09229%0.289CS..Hα-helixtrans-64.3-40.2-177.651.30000111.7S53 D83 L84 Q89 E90 Y91S53-T87 WeakPolarHBondContact OG-CB 3.5Å; S53-T87 PolarHBondContact OG-OG1 2.84Å; D83-T87 WeakPolarHBondContact O-CG2 3.23Å; D83-T87 PolarHBondContact O-N 3.13Å; D83-T87 PolarHBondContact O-OG1 2.83Å; L84-T87 WeakPolarHBondContact CA-OG1 3.4Å; L84-T87 PolarHBondContact O-N 3.38Å; L84-T87 PolarHBondContact O-OG1 3.29Å; L84-T87 VanDerWaalsContact O-OG1 3.06Å; T87-Q89 VanDerWaalsContact C-N 3.32Å; T87-Q89 PolarHBondContact O-N 3.5Å; T87-E90 PolarHBondContact O-N 3.08Å; T87-Y91 WeakPolarHBondContact O-CD2 3.39Å; T87-Y91 PolarHBondContact O-N 2.94Å
88L98.1Very high96Very high2 Ų267.8 Ų67.81%0.0131%0.313CS..Hα-helixtrans-57.7-42.2172.9-77.1170000112.2S53 I56 L57 I70 L84 F85 K86 S92 V101 L137S53-L88 PolarHBondContact OG-N 2.86Å; I56-L88 HydrophobicContact CB-CD2 4.1Å; I56-L88 HydrophobicContact CG2-CD2 3.87Å; L57-L88 HydrophobicContact CD1-CD2 4.21Å; L57-L88 HydrophobicContact CD2-CD2 4.16Å; L57-L88 HydrophobicContact CG-CD2 3.79Å; I70-L88 HydrophobicContact CD1-CD1 3.61Å; I70-L88 HydrophobicContact CG1-CD1 4.49Å; L84-L88 HydrophobicContact CD1-CD1 4.42Å; L84-L88 HydrophobicContact CD1-CG 4.39Å; L84-L88 HydrophobicContact CD2-CD1 4.41Å; L84-L88 HydrophobicContact CG-CD1 3.9Å; L84-L88 HydrophobicContact CG-CG 4.31Å; L84-L88 VanDerWaalsContact O-CB 3.31Å; L84-L88 WeakPolarHBondContact O-CB 3.19Å; L84-L88 VanDerWaalsContact O-CG 3.27Å; L84-L88 WeakPolarHBondContact O-CG 3.37Å; L84-L88 PolarHBondContact O-N 2.88Å; F85-L88 PolarHBondContact O-N 2.88Å; K86-L88 PolarHBondContact O-N 3.06Å; L88-S92 WeakPolarHBondContact O-CB 3.47Å; L88-S92 PolarHBondContact O-N 2.81Å; L88-V101 HydrophobicContact CB-CG1 4.39Å; L88-V101 HydrophobicContact CB-CG2 4.16Å; L88-V101 HydrophobicContact CD1-CG1 4.47Å; L88-L137 HydrophobicContact CD1-CD2 4.44Å
89Q97.4Very high96Very high88 Ų8863.7 Ų63.741%0.41130%0.295SS..Hα-helixtrans-65-45.5176-73.4-173.4-4000112.2F85 K86 T87 S92 F93 V101F85-Q89 HydrophobicContact CE2-CG 4.3Å; F85-Q89 VanDerWaalsContact CZ-CD 3.45Å; F85-Q89 HydrophobicContact CZ-CG 4.27Å; F85-Q89 WeakPolarHBondContact O-CG 3.34Å; F85-Q89 PolarHBondContact O-N 2.8Å; K86-Q89 WeakPolarHBondContact O-CB 3.01Å; K86-Q89 PolarHBondContact O-N 2.78Å; K86-Q89 VanDerWaalsContact O-N 3.17Å; T87-Q89 VanDerWaalsContact C-N 3.32Å; T87-Q89 PolarHBondContact O-N 3.5Å; Q89-S92 PolarHBondContact O-N 2.82Å; Q89-F93 WeakPolarHBondContact O-CB 3.46Å; Q89-F93 PolarHBondContact O-N 2.94Å; Q89-V101 HydrophobicContact CG-CB 4.15Å
90E96.8Very high96Very high101 Ų10167.2 Ų67.247%0.47231%0.311SS..Hα-helixtrans-60.3-49.2179.7-72.2172.9165.600111.7K86 T87K86-E90 WeakPolarHBondContact CE-OE1 3.46Å; K86-E90 IonicContact NZ-OE1 3.59Å; K86-E90 WeakPolarHBondContact O-CG 3.42Å; K86-E90 PolarHBondContact O-N 3.03Å; T87-E90 PolarHBondContact O-N 3.08Å
91Y97.2Very high96Very high70 Ų7067.7 Ų67.728%0.27531%0.313SS..Hα-helixtrans-71.4-34.4177.4-71.3-69.2000112.7D50 I54 T87 T94 R95D50-Y91 HydrophobicContact CB-CE2 4.17Å; D50-Y91 WeakPolarHBondContact CB-OH 3.2Å; D50-Y91 VanDerWaalsContact CG-OH 3.31Å; D50-Y91 WeakPolarHBondContact OD1-CE2 3.44Å; D50-Y91 PolarHBondContact OD1-OH 3.04Å; I54-Y91 HydrophobicContact CD1-CD1 4.45Å; I54-Y91 HydrophobicContact CD1-CE1 4.05Å; I54-Y91 HydrophobicContact CG1-CD1 4.06Å; I54-Y91 HydrophobicContact CG1-CD2 4.48Å; I54-Y91 HydrophobicContact CG1-CE1 4.13Å; I54-Y91 HydrophobicContact CG1-CG 4.26Å; T87-Y91 WeakPolarHBondContact O-CD2 3.39Å; T87-Y91 PolarHBondContact O-N 2.94Å; Y91-T94 PolarHBondContact O-OG1 3.1Å; Y91-R95 WeakPolarHBondContact O-CG 3.46Å
92S97.1Very high96Very high1 Ų168.9 Ų68.91%0.00732%0.322CS..Hα-helixtrans-66.8-37.6177.8-177.30000112.5L88 Q89 T94 R95 I99L88-S92 WeakPolarHBondContact O-CB 3.47Å; L88-S92 PolarHBondContact O-N 2.81Å; Q89-S92 PolarHBondContact O-N 2.82Å; S92-T94 PolarHBondContact O-N 2.58Å; S92-R95 PolarHBondContact O-N 2.87Å; S92-R95 VanDerWaalsContact O-N 3.15Å; S92-I99 WeakPolarHBondContact OG-CA 3.29Å; S92-I99 PolarHBondContact OG-N 2.79Å; S92-I99 PolarHBondContact OG-O 3.45Å
93F93.7Very high96Very high163 Ų16368.3 Ų68.372%0.71531%0.313SS*.Hα-helixtrans-61.4-29.9-178.4-173.2-101.2000113.4Q89Q89-F93 WeakPolarHBondContact O-CB 3.46Å; Q89-F93 PolarHBondContact O-N 2.94Å
94T91Very high96Very high113 Ų11366.3 Ų66.369%0.69330%0.302SS*.THydrogen-bonded Turntrans-92.9-5.3-178.758.80000113.5Y91 S92Y91-T94 PolarHBondContact O-OG1 3.1Å; S92-T94 PolarHBondContact O-N 2.58Å
95R91.8Very high95.9Very high40 Ų4069.9 Ų69.915%0.15132%0.318CS..SBendtrans-84.8145.8-179-80.5174.2-178.6-115.22.6112.5I54 D58 E61 Y91 S92 S97 Y98I54-R95 PolarHBondContact O-NH2 2.68Å; I54-R95 VanDerWaalsContact O-NH2 3.09Å; D58-R95 IonicContact OD1-CZ 2.73Å; D58-R95 IonicContact OD1-NH1 3.85Å; D58-R95 PolarHBondContact OD1-NH1 3.21Å; D58-R95 IonicContact OD1-NH2 3.64Å; D58-R95 PolarHBondContact OD1-NH2 2.63Å; E61-R95 WeakPolarHBondContact OE1-CB 3.37Å; E61-R95 WeakPolarHBondContact OE1-CD 3.13Å; E61-R95 IonicContact OE1-NH1 2.67Å; E61-R95 IonicContact OE2-CZ 2.73Å; E61-R95 IonicContact OE2-NH1 3.09Å; E61-R95 PolarHBondContact OE2-NH1 3.04Å; Y91-R95 WeakPolarHBondContact O-CG 3.46Å; S92-R95 PolarHBondContact O-N 2.87Å; S92-R95 VanDerWaalsContact O-N 3.15Å; R95-S97 VanDerWaalsContact C-N 3.27Å; R95-S97 PolarHBondContact O-N 2.84Å; R95-Y98 PolarHBondContact O-N 2.85Å
96R88.7Confident95.8Very high254 Ų25468 Ų6896%0.95831%0.31SS*.THydrogen-bonded Turntrans-60.1-35.4177.2-177176.4177.6165.20.1112.8
97S89.6Confident95.7Very high42 Ų4264.3 Ų64.329%0.29430%0.301SS..THydrogen-bonded Turntrans-91.85.1-174.6-75.80000114.8E61 K66 R95E61-S97 WeakPolarHBondContact OE1-CB 3.25Å; K66-S97 PolarHBondContact NZ-O 3.2Å; R95-S97 VanDerWaalsContact C-N 3.27Å; R95-S97 PolarHBondContact O-N 2.84Å
98Y95.3Very high95.4Very high127 Ų12764.9 Ų64.950%0.49831%0.308SS..  trans15.6108.5-176.4178.6-106000115.2R95 K100R95-Y98 PolarHBondContact O-N 2.85Å; Y98-K100 HydrophobicContact CE1-CB 4.3Å
99I97.6Very high94.7Very high1 Ų167.1 Ų67.11%0.00532%0.323CS..PPolyproline II helixtrans-102117.8178.8-61.3167000108.9L57 E61 V65 V68 S92 V101L57-I99 HydrophobicContact CD2-CB 4.19Å; L57-I99 HydrophobicContact CD2-CD1 3.79Å; E61-I99 HydrophobicContact CG-CD1 3.76Å; V65-I99 HydrophobicContact CG1-CG2 4.38Å; V68-I99 HydrophobicContact CG1-CG2 4.07Å; S92-I99 WeakPolarHBondContact OG-CA 3.29Å; S92-I99 PolarHBondContact OG-N 2.79Å; S92-I99 PolarHBondContact OG-O 3.45Å; I99-V101 PolarHBondContact O-N 2.93Å
100K97.7Very high93.5Very high120 Ų12066.7 Ų66.752%0.52233%0.327SS..EExtended strand (participates in β ladder)trans-70.3117.6174.4-177179.7178.1-179.90110K66 S67 V68 Y98K66-K100 PolarHBondContact O-N 2.56Å; S67-K100 CarbonylContact C-O 3.55Å; S67-K100 WeakPolarHBondContact CA-O 3.5Å; V68-K100 PolarHBondContact N-O 2.89Å; Y98-K100 HydrophobicContact CE1-CB 4.3Å
101V98.1Very high91.4Very high10 Ų1068.9 Ų68.96%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-100.1125.3176.6-169.20000109.1V68 I70 F85 L88 Q89 I99V68-V101 HydrophobicContact CG1-CB 4.37Å; V68-V101 HydrophobicContact CG1-CG1 4.16Å; V68-V101 HydrophobicContact CG1-CG2 4.1Å; I70-V101 HydrophobicContact CD1-CG1 3.8Å; I70-V101 HydrophobicContact CG1-CG1 4.07Å; F85-V101 HydrophobicContact CD2-CB 4.48Å; F85-V101 HydrophobicContact CD2-CG1 3.64Å; F85-V101 HydrophobicContact CE2-CB 4.25Å; F85-V101 HydrophobicContact CE2-CG1 3.8Å; L88-V101 HydrophobicContact CB-CG1 4.39Å; L88-V101 HydrophobicContact CB-CG2 4.16Å; L88-V101 HydrophobicContact CD1-CG1 4.47Å; Q89-V101 HydrophobicContact CG-CB 4.15Å; I99-V101 PolarHBondContact O-N 2.93Å
102S97.6Very high88.9Confident26 Ų2670.6 Ų70.618%0.18235%0.349CS..EExtended strand (participates in β ladder)trans-119.9158.5173.4-58.20000109.8V68 I70V68-S102 PolarHBondContact O-N 2.85Å; I70-S102 PolarHBondContact N-O 3.34Å
103I97.9Very high86.1Confident53 Ų5375.1 Ų75.127%0.27237%0.373SS..EExtended strand (participates in β ladder)trans-128.3146.1-179.9-168.9163.8000111.4I70 C72 F85 F105I70-I103 HydrophobicContact CB-CB 4.41Å; I70-I103 HydrophobicContact CB-CG1 4.18Å; I70-I103 HydrophobicContact CG2-CD1 4.22Å; I70-I103 HydrophobicContact CG2-CG1 4.07Å; I70-I103 CarbonylContact O-C 3.57Å; I70-I103 WeakPolarHBondContact O-CA 3.41Å; C72-I103 HydrophobicContact CB-CD1 4.45Å; F85-I103 HydrophobicContact CB-CD1 4.26Å; F85-I103 HydrophobicContact CD2-CB 4.01Å; F85-I103 HydrophobicContact CD2-CG2 4.47Å; F85-I103 HydrophobicContact CE1-CG2 4.49Å; F85-I103 HydrophobicContact CE2-CB 4.01Å; F85-I103 HydrophobicContact CE2-CG2 4.16Å; F85-I103 HydrophobicContact CG-CD1 4.33Å; F85-I103 HydrophobicContact CZ-CG2 4.16Å; I103-F105 HydrophobicContact CD1-CE1 4.35Å; I103-F105 HydrophobicContact CD1-CZ 4.17Å; I103-F105 HydrophobicContact CG1-CZ 4.19Å
104D97.5Very high83.8Confident8 Ų875.4 Ų75.44%0.04338%0.382CS..EExtended strand (participates in β ladder)trans-144175.3169.7-162.414.5000110.6I70 I71 C72 T126 K130 F131I70-D104 PolarHBondContact O-N 2.93Å; I71-D104 WeakPolarHBondContact CA-O 3.38Å; C72-D104 PolarHBondContact N-O 3.11Å; D104-T126 WeakPolarHBondContact OD1-CG2 3.42Å; D104-T126 PolarHBondContact OD2-OG1 2.97Å; D104-K130 IonicContact OD1-NZ 3.08Å; D104-K130 WeakPolarHBondContact OD2-CE 3.3Å; D104-K130 IonicContact OD2-NZ 3.29Å; D104-K130 PolarHBondContact OD2-NZ 3.22Å; D104-F131 HydrophobicContact CB-CE1 4.43Å; D104-F131 HydrophobicContact CB-CZ 3.8Å; D104-F131 VanDerWaalsContact OD2-CZ 3.24Å; D104-F131 WeakPolarHBondContact OD2-CZ 3.3Å
105F97.9Very high81.4Confident76 Ų7674.4 Ų74.433%0.33338%0.38SS..EExtended strand (participates in β ladder)trans-132.7139.7-171.2-54.7-90.3000111.8C72 L74 I103 C125C72-F105 HydrophobicContact CB-CD1 3.6Å; C72-F105 HydrophobicContact CB-CE1 3.87Å; C72-F105 HydrophobicContact CB-CG 4.49Å; C72-F105 WeakPolarHBondContact O-CA 3.4Å; L74-F105 HydrophobicContact CD1-CB 3.86Å; L74-F105 HydrophobicContact CD1-CD1 4.08Å; L74-F105 HydrophobicContact CD1-CG 4.27Å; L74-F105 HydrophobicContact CD2-CD1 3.99Å; L74-F105 HydrophobicContact CG-CB 4.26Å; L74-F105 HydrophobicContact CG-CD1 4.06Å; I103-F105 HydrophobicContact CD1-CE1 4.35Å; I103-F105 HydrophobicContact CD1-CZ 4.17Å; I103-F105 HydrophobicContact CG1-CZ 4.19Å; F105-C125 HydrophobicContact CB-CB 4.14Å; F105-C125 WeakPolarHBondContact O-CB 3.31Å; F105-C125 PolarHBondContact O-N 3.45Å; F105-C125 PolarHBondContact O-SG 3.43Å
106L96.3Very high78.9Confident1 Ų176.7 Ų76.71%0.00540%0.399CS..EExtended strand (participates in β ladder)trans-123133.9165.1-65.5-179.5000107.8I71 C72 I73 L74 I122 P124 M128 L152 F155 V156I71-L106 HydrophobicContact CG2-CB 4.19Å; I71-L106 HydrophobicContact CG2-CD1 3.59Å; I71-L106 HydrophobicContact CG2-CG 3.49Å; I71-L106 VanDerWaalsContact CG2-CG 3.49Å; C72-L106 PolarHBondContact O-N 3.16Å; I73-L106 WeakPolarHBondContact CA-O 3.45Å; I73-L106 HydrophobicContact CD1-CB 4Å; I73-L106 HydrophobicContact CD1-CD1 4.23Å; L74-L106 PolarHBondContact N-O 3.19Å; L106-I122 HydrophobicContact CD1-CG2 4.15Å; L106-P124 HydrophobicContact CD2-CB 3.63Å; L106-P124 HydrophobicContact CD2-CG 3.81Å; L106-M128 HydrophobicContact CD1-CE 4.34Å; L106-M128 HydrophobicContact CD2-CE 4.1Å; L106-M128 HydrophobicContact CD2-SD 3.64Å; L106-L152 HydrophobicContact CD1-CD2 4.33Å; L106-F155 HydrophobicContact CD1-CD1 4.23Å; L106-F155 HydrophobicContact CD1-CE1 4.26Å; L106-F155 HydrophobicContact CD2-CE1 4.28Å; L106-V156 HydrophobicContact CD1-CG2 4.13Å
107A94.6Very high76.9Confident39 Ų3967.1 Ų67.132%0.32238%0.378SS..EExtended strand (participates in β ladder)trans-87.9129.6164.900000108.9I122 T123A107-I122 WeakPolarHBondContact O-CA 2.98Å; A107-T123 PolarHBondContact N-O 3.43Å; A107-T123 PolarHBondContact O-N 3.35Å
108A91.4Very high75.4Confident28 Ų2871 Ų7123%0.23139%0.392CS..EExtended strand (participates in β ladder)trans-123.8135.2174.800000109.7I73 L74 T120 N121 L152I73-A108 HydrophobicContact CG2-CB 3.79Å; L74-A108 PolarHBondContact O-N 2.87Å; A108-T120 HydrophobicContact CB-CG2 4Å; A108-N121 WeakPolarHBondContact CA-O 3.43Å; A108-L152 HydrophobicContact CB-CD1 4.45Å; A108-L152 HydrophobicContact CB-CD2 4.11Å
109S84.3Confident74.1Confident49 Ų4969.7 Ų69.734%0.34339%0.394SS..EExtended strand (participates in β ladder)trans-140.2129.4175.659.70000109.5Y111 N121S109-Y111 WeakPolarHBondContact OG-CE2 3.34Å; S109-N121 PolarHBondContact N-O 3.25Å; S109-N121 PolarHBondContact O-N 2.97Å
110T71.2Confident73.3Confident79 Ų7970.5 Ų70.549%0.48540%0.398SS..EExtended strand (participates in β ladder)trans-83.1117.7171.252.40000109
111Y52.4Low72.9Confident146 Ų14668.4 Ų68.457%0.57339%0.393SS*.  trans-85.6139.9168-77.9-90.8000109.1S109 D119 N121S109-Y111 WeakPolarHBondContact OG-CE2 3.34Å; Y111-D119 PolarHBondContact N-O 3.02Å; Y111-N121 HydrophobicContact CD2-CB 3.95Å; Y111-N121 HydrophobicContact CE2-CB 3.87Å
112V45.4Very low72.6Confident106 Ų10669.2 Ų69.264%0.64240%0.396SS*.  trans-99.395.8160.2-177.90000104.8
113D38.8Very low72.5Confident96 Ų9671.5 Ų71.551%0.51341%0.41SS..  trans-93.2124.7163.2-164.8-37000106.6S115 V116D113-S115 PolarHBondContact O-N 3.41Å; D113-S115 PolarHBondContact OD1-N 3.45Å; D113-S115 PolarHBondContact OD1-OG 3.49Å; D113-V116 PolarHBondContact O-N 3.06Å
114D44.6Very low72.3Confident169 Ų16971.1 Ų71.190%0.90441%0.41SS*.THydrogen-bonded Turntrans-55.9-9.6-176.5-71.8-28.2000113.4
115S41.9Very low72.2Confident92 Ų9274.3 Ų74.364%0.64343%0.432SS*.THydrogen-bonded Turntrans-111.9-18.7-17560.20000115.6D113D113-S115 PolarHBondContact O-N 3.41Å; D113-S115 PolarHBondContact OD1-N 3.45Å; D113-S115 PolarHBondContact OD1-OG 3.49Å
116V37.8Very low72Confident89 Ų8973.3 Ų73.354%0.53943%0.433SS..SBendtrans-148.360.7-169.5-160.30000113D113D113-V116 PolarHBondContact O-N 3.06Å
117G47.7Very low72Confident52 Ų5278.7 Ų78.754%0.53646%0.462SS..  trans57-169.8163.600000116.4D119G117-D119 PolarHBondContact O-N 2.77Å
118H57.6Low72.1Confident123 Ų12377 Ų7757%0.56945%0.447SS*.  trans-94.171.8179.7-66-67.9000110.3
119D67.5Low72.4Confident101 Ų10179.9 Ų79.954%0.5446%0.456SS..  trans-76.5127.2176.4-83.1-6.8000110.8Y111 G117Y111-D119 PolarHBondContact N-O 3.02Å; G117-D119 PolarHBondContact O-N 2.77Å
120T80.4Confident73Confident17 Ų1781.1 Ų81.110%0.10446%0.455CS..EExtended strand (participates in β ladder)trans-83.8113.1172.6-48.80000110A108 I122 E151A108-T120 HydrophobicContact CB-CG2 4Å; T120-I122 HydrophobicContact CG2-CG1 4.02Å; T120-I122 PolarHBondContact O-N 3.38Å; T120-E151 WeakPolarHBondContact CA-OE2 3.42Å; T120-E151 WeakPolarHBondContact CB-OE2 3.5Å; T120-E151 PolarHBondContact N-OE2 3.03Å; T120-E151 PolarHBondContact OG1-OE2 3.26Å
121N89.1Confident74.2Confident77 Ų7777.3 Ų77.341%0.41243%0.432SS..EExtended strand (participates in β ladder)trans-77.1121.8168.8-175.319.7000109.6A108 S109 Y111A108-N121 WeakPolarHBondContact CA-O 3.43Å; S109-N121 PolarHBondContact N-O 3.25Å; S109-N121 PolarHBondContact O-N 2.97Å; Y111-N121 HydrophobicContact CD2-CB 3.95Å; Y111-N121 HydrophobicContact CE2-CB 3.87Å
122I93.5Very high76.4Confident26 Ų2674.3 Ų74.313%0.13342%0.419CS..EExtended strand (participates in β ladder)trans-115118.5-177.3-59.1164.9000108.7L106 A107 T120 L152 F155L106-I122 HydrophobicContact CD1-CG2 4.15Å; A107-I122 WeakPolarHBondContact O-CA 2.98Å; T120-I122 HydrophobicContact CG2-CG1 4.02Å; T120-I122 PolarHBondContact O-N 3.38Å; I122-L152 HydrophobicContact CD1-CD2 3.77Å; I122-L152 HydrophobicContact CD1-CG 4.23Å; I122-L152 HydrophobicContact CG1-CD2 3.82Å; I122-L152 HydrophobicContact CG2-CD2 4.11Å; I122-F155 HydrophobicContact CB-CD2 4.44Å; I122-F155 HydrophobicContact CB-CG 4.41Å; I122-F155 HydrophobicContact CD1-CB 3.57Å; I122-F155 HydrophobicContact CD1-CD1 4.42Å; I122-F155 HydrophobicContact CD1-CD2 4.31Å; I122-F155 HydrophobicContact CD1-CG 3.86Å; I122-F155 HydrophobicContact CG2-CD1 3.65Å; I122-F155 HydrophobicContact CG2-CD2 4.35Å; I122-F155 HydrophobicContact CG2-CE1 3.69Å; I122-F155 HydrophobicContact CG2-CE2 4.39Å; I122-F155 HydrophobicContact CG2-CG 4Å; I122-F155 HydrophobicContact CG2-CZ 4.09Å
123T94.9Very high78.9Confident75 Ų7574.9 Ų74.946%0.4642%0.419SS..EExtended strand (participates in β ladder)trans-116.9107.4179.6-57.20000110.4A107A107-T123 PolarHBondContact N-O 3.43Å; A107-T123 PolarHBondContact O-N 3.35Å
124P94.5Very high81.7Confident44 Ų4474 Ų7429%0.28641%0.411SS..EExtended strand (participates in β ladder)trans-65.9138.4173.2-22.834.3000114.4L106 T126 M128 F155L106-P124 HydrophobicContact CD2-CB 3.63Å; L106-P124 HydrophobicContact CD2-CG 3.81Å; P124-T126 VanDerWaalsContact C-N 3.33Å; P124-T126 VanDerWaalsContact CB-O 3.32Å; P124-T126 WeakPolarHBondContact CB-O 3.46Å; P124-M128 HydrophobicContact CB-CG 3.76Å; P124-M128 HydrophobicContact CB-SD 3.68Å; P124-M128 HydrophobicContact CG-CG 3.58Å; P124-M128 HydrophobicContact CG-SD 3.88Å; P124-F155 HydrophobicContact CG-CE1 3.84Å; P124-F155 HydrophobicContact CG-CZ 3.51Å
125C93.5Very high84.3Confident75 Ų7566.5 Ų66.551%0.50737%0.37SS..SBendtrans-81.4-15.3172.1-62.20000112.8F105F105-C125 HydrophobicContact CB-CB 4.14Å; F105-C125 WeakPolarHBondContact O-CB 3.31Å; F105-C125 PolarHBondContact O-N 3.45Å; F105-C125 PolarHBondContact O-SG 3.43Å
126T94.5Very high87Confident56 Ų5662.1 Ų62.134%0.34434%0.34SS..SBendtrans-142.7177.2176.577.90000111.7D104 P124 M128 K130D104-T126 WeakPolarHBondContact OD1-CG2 3.42Å; D104-T126 PolarHBondContact OD2-OG1 2.97Å; P124-T126 VanDerWaalsContact C-N 3.33Å; P124-T126 VanDerWaalsContact CB-O 3.32Å; P124-T126 WeakPolarHBondContact CB-O 3.46Å; T126-M128 PolarHBondContact O-N 3.04Å; T126-K130 WeakPolarHBondContact OG1-CE 3.46Å; T126-K130 PolarHBondContact OG1-NZ 3.17Å
127N96.4Very high89.9Confident114 Ų11458 Ų5861%0.6131%0.314SS*.  trans-68.2118.4174.9-174.8-9.3000111.2E129 K130N127-E129 VanDerWaalsContact C-N 3.3Å; N127-E129 PolarHBondContact O-N 3.49Å; N127-E129 WeakPolarHBondContact OD1-CB 3.24Å; N127-E129 PolarHBondContact OD1-N 2.86Å; N127-K130 WeakPolarHBondContact O-CD 3.47Å; N127-K130 VanDerWaalsContact O-CG 3.31Å; N127-K130 WeakPolarHBondContact O-CG 3.43Å; N127-K130 PolarHBondContact O-N 3.07Å
128M97Very high92.3Very high4 Ų455.5 Ų55.52%0.0229%0.289CS..G310 helixtrans-68.4-19.8-178-65.4-56.1-68.800114.6I71 L106 P124 T126 K130 F131 F155 V156 Y159I71-M128 HydrophobicContact CD1-CE 4.35Å; L106-M128 HydrophobicContact CD1-CE 4.34Å; L106-M128 HydrophobicContact CD2-CE 4.1Å; L106-M128 HydrophobicContact CD2-SD 3.64Å; P124-M128 HydrophobicContact CB-CG 3.76Å; P124-M128 HydrophobicContact CB-SD 3.68Å; P124-M128 HydrophobicContact CG-CG 3.58Å; P124-M128 HydrophobicContact CG-SD 3.88Å; T126-M128 PolarHBondContact O-N 3.04Å; M128-K130 PolarHBondContact O-N 2.95Å; M128-F131 HydrophobicContact CB-CD2 4.42Å; M128-F131 HydrophobicContact CE-CD2 3.48Å; M128-F131 VanDerWaalsContact CE-CD2 3.48Å; M128-F131 HydrophobicContact CE-CE2 3.52Å; M128-F131 VanDerWaalsContact O-CD2 3.3Å; M128-F131 WeakPolarHBondContact O-CD2 3.32Å; M128-F131 PolarHBondContact O-N 3.34Å; M128-F131 HydrophobicContact SD-CD2 3.91Å; M128-F131 HydrophobicContact SD-CE2 3.54Å; M128-F131 VanDerWaalsContact SD-CE2 3.54Å; M128-F155 HydrophobicContact CE-CD1 4.35Å; M128-F155 HydrophobicContact CE-CE1 3.79Å; M128-F155 HydrophobicContact CG-CE1 4.09Å; M128-F155 HydrophobicContact CG-CZ 4.18Å; M128-F155 HydrophobicContact SD-CE1 4.21Å; M128-V156 HydrophobicContact CE-CG2 4.22Å; M128-Y159 HydrophobicContact CB-CD1 3.6Å; M128-Y159 HydrophobicContact CB-CD2 3.63Å; M128-Y159 HydrophobicContact CB-CE1 3.38Å; M128-Y159 HydrophobicContact CB-CE2 3.41Å; M128-Y159 VanDerWaalsContact CB-CE2 3.41Å; M128-Y159 HydrophobicContact CB-CG 3.71Å; M128-Y159 HydrophobicContact CE-CD2 4.26Å; M128-Y159 HydrophobicContact CE-CE2 4.34Å; M128-Y159 HydrophobicContact CG-CD2 4.29Å; M128-Y159 HydrophobicContact CG-CE1 4.35Å; M128-Y159 HydrophobicContact CG-CE2 3.73Å
129E97Very high94.2Very high87 Ų8749.7 Ų49.741%0.40726%0.262SS..G310 helixtrans-57.4-23177-75.2-61.8144.200113.1N127 F131 R132N127-E129 VanDerWaalsContact C-N 3.3Å; N127-E129 PolarHBondContact O-N 3.49Å; N127-E129 WeakPolarHBondContact OD1-CB 3.24Å; N127-E129 PolarHBondContact OD1-N 2.86Å; E129-F131 PolarHBondContact O-N 3.38Å; E129-F131 VanDerWaalsContact O-N 3.13Å; E129-R132 VanDerWaalsContact O-CB 3.32Å; E129-R132 WeakPolarHBondContact O-CB 3.41Å; E129-R132 PolarHBondContact O-N 2.96Å; E129-R132 IonicContact OE1-NH2 3.85Å; E129-R132 IonicContact OE2-CZ 2.84Å; E129-R132 IonicContact OE2-NE 2.69Å; E129-R132 PolarHBondContact OE2-NE 3.27Å; E129-R132 IonicContact OE2-NH2 3.18Å; E129-R132 PolarHBondContact OE2-NH2 2.75Å
130K96.5Very high95.5Very high75 Ų7545.7 Ų45.733%0.32624%0.24SC..G310 helixtrans-63.7-16.8177.277.7-173.6-171.9-179.30114D104 T126 N127 M128 K134D104-K130 IonicContact OD1-NZ 3.08Å; D104-K130 WeakPolarHBondContact OD2-CE 3.3Å; D104-K130 IonicContact OD2-NZ 3.29Å; D104-K130 PolarHBondContact OD2-NZ 3.22Å; T126-K130 WeakPolarHBondContact OG1-CE 3.46Å; T126-K130 PolarHBondContact OG1-NZ 3.17Å; N127-K130 WeakPolarHBondContact O-CD 3.47Å; N127-K130 VanDerWaalsContact O-CG 3.31Å; N127-K130 WeakPolarHBondContact O-CG 3.43Å; N127-K130 PolarHBondContact O-N 3.07Å; M128-K130 PolarHBondContact O-N 2.95Å; K130-K134 WeakPolarHBondContact O-CG 3.1Å
131F97.5Very high96.3Very high0 Ų046.1 Ų46.10%024%0.242CC..G310 helixtrans-87.8-7.7179.7-60.2-58.5000113.9Y69 I71 D104 M128 E129 D133 K134 V136 P161Y69-F131 HydrophobicContact CD1-CD1 4.31Å; Y69-F131 AromaticContact CD1-CE1 3.75Å; Y69-F131 HydrophobicContact CD1-CE1 3.75Å; Y69-F131 HydrophobicContact CD2-CD1 4.41Å; Y69-F131 AromaticContact CG-CD1 3.98Å; Y69-F131 HydrophobicContact CG-CD1 3.98Å; Y69-F131 AromaticContact CG-CE1 3.78Å; Y69-F131 HydrophobicContact CG-CE1 3.78Å; I71-F131 HydrophobicContact CD1-CD1 4.35Å; I71-F131 HydrophobicContact CD1-CD2 4.14Å; I71-F131 HydrophobicContact CD1-CE1 4.02Å; I71-F131 HydrophobicContact CD1-CE2 3.8Å; I71-F131 HydrophobicContact CD1-CG 4.4Å; I71-F131 HydrophobicContact CD1-CZ 3.71Å; I71-F131 HydrophobicContact CG1-CE1 4.06Å; I71-F131 HydrophobicContact CG1-CE2 4.39Å; I71-F131 HydrophobicContact CG1-CZ 3.83Å; D104-F131 HydrophobicContact CB-CE1 4.43Å; D104-F131 HydrophobicContact CB-CZ 3.8Å; D104-F131 VanDerWaalsContact OD2-CZ 3.24Å; D104-F131 WeakPolarHBondContact OD2-CZ 3.3Å; M128-F131 HydrophobicContact CB-CD2 4.42Å; M128-F131 HydrophobicContact CE-CD2 3.48Å; M128-F131 VanDerWaalsContact CE-CD2 3.48Å; M128-F131 HydrophobicContact CE-CE2 3.52Å; M128-F131 VanDerWaalsContact O-CD2 3.3Å; M128-F131 WeakPolarHBondContact O-CD2 3.32Å; M128-F131 PolarHBondContact O-N 3.34Å; M128-F131 HydrophobicContact SD-CD2 3.91Å; M128-F131 HydrophobicContact SD-CE2 3.54Å; M128-F131 VanDerWaalsContact SD-CE2 3.54Å; E129-F131 PolarHBondContact O-N 3.38Å; E129-F131 VanDerWaalsContact O-N 3.13Å; F131-D133 PolarHBondContact O-N 2.7Å; F131-K134 WeakPolarHBondContact O-CB 3.31Å; F131-K134 PolarHBondContact O-N 2.6Å; F131-V136 HydrophobicContact CB-CG2 4.21Å; F131-V136 HydrophobicContact CD1-CG2 4.09Å; F131-V136 HydrophobicContact CG-CG2 4.4Å; F131-P161 WeakPolarHBondContact O-CA 3.4Å
132R98.3Very high96.5Very high82 Ų8244.3 Ų44.331%0.30923%0.231SC..THydrogen-bonded Turntrans-55131.4173.5-175.1179.2-64.2-75.6-4.7111.4E129 K134 Y159 E160E129-R132 VanDerWaalsContact O-CB 3.32Å; E129-R132 WeakPolarHBondContact O-CB 3.41Å; E129-R132 PolarHBondContact O-N 2.96Å; E129-R132 IonicContact OE1-NH2 3.85Å; E129-R132 IonicContact OE2-CZ 2.84Å; E129-R132 IonicContact OE2-NE 2.69Å; E129-R132 PolarHBondContact OE2-NE 3.27Å; E129-R132 IonicContact OE2-NH2 3.18Å; E129-R132 PolarHBondContact OE2-NH2 2.75Å; R132-K134 WeakPolarHBondContact O-CG 3.34Å; R132-K134 PolarHBondContact O-N 3.49Å; R132-K134 VanDerWaalsContact O-N 3.1Å; R132-Y159 WeakPolarHBondContact CA-O 3.47Å; R132-Y159 WeakPolarHBondContact CB-O 3.48Å; R132-E160 IonicContact CZ-OE2 3.67Å; R132-E160 IonicContact NH1-OE2 3.76Å; R132-E160 PolarHBondContact NH1-OE2 3.19Å
133D98.2Very high96.4Very high119 Ų11943.4 Ų43.464%0.63623%0.227SC*.THydrogen-bonded Turntrans56.121.4-176.7-57.2-51.4000114.4F131 E160F131-D133 PolarHBondContact O-N 2.7Å; D133-E160 PolarHBondContact N-O 2.83Å
134K98.2Very high96Very high78 Ų7843.1 Ų43.134%0.33922%0.223SC..  trans-104.3153.5176.4-53.6-52177.7-170.20112.3Y69 K130 F131 R132 P161 K162 S163Y69-K134 HydrophobicContact CD2-CB 3.96Å; Y69-K134 HydrophobicContact CD2-CG 4.05Å; Y69-K134 HydrophobicContact CE2-CB 4.27Å; Y69-K134 HydrophobicContact CE2-CD 4.15Å; Y69-K134 HydrophobicContact CE2-CG 3.87Å; K130-K134 WeakPolarHBondContact O-CG 3.1Å; F131-K134 WeakPolarHBondContact O-CB 3.31Å; F131-K134 PolarHBondContact O-N 2.6Å; R132-K134 WeakPolarHBondContact O-CG 3.34Å; R132-K134 PolarHBondContact O-N 3.49Å; R132-K134 VanDerWaalsContact O-N 3.1Å; K134-P161 CarbonylContact O-C 3.58Å; K134-P161 WeakPolarHBondContact O-CA 2.96Å; K134-P161 WeakPolarHBondContact O-CB 3.12Å; K134-K162 PolarHBondContact O-N 2.81Å; K134-S163 PolarHBondContact O-N 2.94Å
135D98.4Very high95.5Very high11 Ų1143.9 Ų43.96%0.05923%0.227CC..EExtended strand (participates in β ladder)trans-81.8125.3167.3-64.2-70.6000109V65 V68 Y69 K162 S163V65-D135 HydrophobicContact CG1-CB 4.05Å; V65-D135 HydrophobicContact CG2-CB 4.38Å; V68-D135 WeakPolarHBondContact CA-O 3.27Å; Y69-D135 PolarHBondContact N-O 3.46Å; D135-K162 IonicContact OD2-NZ 3.38Å; D135-K162 PolarHBondContact OD2-NZ 3.31Å; D135-S163 WeakPolarHBondContact OD1-CB 3.34Å; D135-S163 PolarHBondContact OD1-OG 3.17Å
136V98.5Very high95.1Very high0 Ų040.6 Ų40.60%021%0.205CC..EExtended strand (participates in β ladder)trans-121.7137.4-173.3177.30000110.9Y69 I71 F131 I138 V156 P161 S163 V164 Y165Y69-V136 CarbonylContact O-C 3.54Å; Y69-V136 WeakPolarHBondContact O-CA 3.37Å; I71-V136 HydrophobicContact CD1-CG1 3.5Å; I71-V136 VanDerWaalsContact CD1-CG1 3.5Å; I71-V136 HydrophobicContact CG1-CG1 3.86Å; F131-V136 HydrophobicContact CB-CG2 4.21Å; F131-V136 HydrophobicContact CD1-CG2 4.09Å; F131-V136 HydrophobicContact CG-CG2 4.4Å; V136-I138 HydrophobicContact CG1-CG1 4.41Å; V136-V156 HydrophobicContact CG1-CG1 4.06Å; V136-P161 HydrophobicContact CG2-CB 3.91Å; V136-S163 PolarHBondContact N-O 3.46Å; V136-V164 WeakPolarHBondContact O-CA 3.23Å; V136-Y165 PolarHBondContact O-N 2.79Å
137L98.3Very high94.7Very high1 Ų140.6 Ų40.61%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-118.5107.6170.7-175.165.4000109.4I56 V68 Y69 I70 I71 L84 L88 V139 Y165 A167 Y184I56-L137 HydrophobicContact CD1-CD2 4.15Å; I56-L137 HydrophobicContact CG2-CD2 4.41Å; V68-L137 HydrophobicContact CG2-CB 4.15Å; Y69-L137 PolarHBondContact O-N 3.09Å; I70-L137 CarbonylContact C-O 3.57Å; I70-L137 WeakPolarHBondContact CA-O 3.28Å; I70-L137 HydrophobicContact CG1-CD2 4.45Å; I71-L137 PolarHBondContact N-O 3.37Å; L84-L137 HydrophobicContact CD2-CD2 4.35Å; L88-L137 HydrophobicContact CD1-CD2 4.44Å; L137-V139 HydrophobicContact CD2-CG2 4.13Å; L137-V139 HydrophobicContact CG-CG2 3.99Å; L137-Y165 CarbonylContact C-O 3.49Å; L137-Y165 WeakPolarHBondContact CA-O 3.19Å; L137-A167 HydrophobicContact CD1-CB 4.07Å; L137-A167 HydrophobicContact CD2-CB 4.39Å; L137-A167 HydrophobicContact CG-CB 4.38Å; L137-Y184 HydrophobicContact CD1-CD2 3.98Å; L137-Y184 HydrophobicContact CD1-CE2 4.07Å
138I97.9Very high94.2Very high1 Ų136.7 Ų36.71%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-75.1130.2171.5-60.1174.2000108.1I73 V136 L149 E153 V156 V164 Y165 S166 A167I73-I138 HydrophobicContact CD1-CG2 3.97Å; I73-I138 HydrophobicContact CG1-CG2 3.86Å; V136-I138 HydrophobicContact CG1-CG1 4.41Å; I138-L149 HydrophobicContact CG2-CD1 3.82Å; I138-E153 HydrophobicContact CD1-CB 4.25Å; I138-V156 HydrophobicContact CD1-CB 4.25Å; I138-V156 HydrophobicContact CD1-CG2 3.97Å; I138-V156 HydrophobicContact CG1-CG2 4.4Å; I138-V164 HydrophobicContact CD1-CG1 3.71Å; I138-V164 HydrophobicContact CG1-CG1 4.09Å; I138-Y165 PolarHBondContact N-O 3.04Å; I138-S166 CarbonylContact O-C 3.54Å; I138-S166 VanDerWaalsContact O-CA 3.28Å; I138-S166 WeakPolarHBondContact O-CA 3.5Å; I138-A167 PolarHBondContact O-N 3.04Å
139V98Very high93.9Very high0 Ų036.6 Ų36.60%019%0.187CC..EExtended strand (participates in β ladder)trans-122.5115.4-177.6-179.20000110I70 I71 I73 F80 A81 L84 L137 A167I70-V139 HydrophobicContact CG2-CB 4.15Å; I70-V139 HydrophobicContact CG2-CG2 3.57Å; I71-V139 PolarHBondContact O-N 2.91Å; I73-V139 PolarHBondContact N-O 3.23Å; F80-V139 HydrophobicContact CD1-CG1 3.43Å; F80-V139 VanDerWaalsContact CD1-CG1 3.43Å; F80-V139 HydrophobicContact CE1-CG1 3.39Å; F80-V139 HydrophobicContact CG-CG1 4.14Å; F80-V139 HydrophobicContact CZ-CG1 4.05Å; A81-V139 HydrophobicContact CB-CB 4.21Å; A81-V139 HydrophobicContact CB-CG1 3.74Å; L84-V139 HydrophobicContact CD2-CG1 4.33Å; L84-V139 HydrophobicContact CD2-CG2 4.04Å; L137-V139 HydrophobicContact CD2-CG2 4.13Å; L137-V139 HydrophobicContact CG-CG2 3.99Å; V139-A167 WeakPolarHBondContact CA-O 3.38Å; V139-A167 HydrophobicContact CG2-CB 4.4Å
140E95.1Very high93.6Very high18 Ų1835 Ų358%0.08418%0.181CC..EExtended strand (participates in β ladder)trans-126.7149.6-177.2-168.3162.5-161.900110.2I73 F80 L149 A167 C168 L169I73-E140 HydrophobicContact CB-CB 4.46Å; I73-E140 HydrophobicContact CB-CG 4.41Å; I73-E140 HydrophobicContact CG1-CB 4.32Å; F80-E140 WeakPolarHBondContact CD1-O 3.32Å; F80-E140 VanDerWaalsContact CE1-O 3.23Å; F80-E140 WeakPolarHBondContact CE1-O 3.49Å; E140-L149 WeakPolarHBondContact OE2-CB 3.47Å; E140-L149 WeakPolarHBondContact OE2-CD1 3.38Å; E140-A167 PolarHBondContact N-O 3.17Å; E140-C168 VanDerWaalsContact O-CA 3.3Å; E140-C168 WeakPolarHBondContact O-CA 3.2Å; E140-L169 PolarHBondContact O-N 2.97Å
141D96.2Very high93.3Very high25 Ų2533.7 Ų33.713%0.13418%0.176CC..EExtended strand (participates in β ladder)trans-71-45.7-17953.2-13.5000112.6G76 L169 L170 I199G76-D141 VanDerWaalsContact CA-OD2 3.22Å; G76-D141 WeakPolarHBondContact CA-OD2 3.27Å; D141-L169 WeakPolarHBondContact O-CB 3.46Å; D141-L169 PolarHBondContact O-N 2.99Å; D141-L170 PolarHBondContact O-N 2.83Å; D141-I199 HydrophobicContact CB-CD1 4.38Å; D141-I199 HydrophobicContact CB-CG1 3.93Å
142M94.4Very high93.1Very high40 Ų4033.7 Ų33.720%0.19718%0.176CC..EExtended strand (participates in β ladder)trans-149.5140.5-172.3-176.9172.164.100113.3L170 K172 I194M142-L170 CarbonylContact C-O 3.5Å; M142-L170 VanDerWaalsContact CA-O 3.32Å; M142-L170 WeakPolarHBondContact CA-O 3.49Å; M142-L170 HydrophobicContact CB-CB 4.09Å; M142-L170 HydrophobicContact CG-CB 3.91Å; M142-L170 HydrophobicContact SD-CD1 4.38Å; M142-K172 HydrophobicContact SD-CD 3.9Å; M142-K172 VanDerWaalsContact SD-CE 3.54Å; M142-K172 HydrophobicContact SD-CG 4.04Å; M142-I194 HydrophobicContact SD-CB 4.4Å; M142-I194 HydrophobicContact SD-CD1 4.19Å
143V91.4Very high92.9Very high7 Ų731.2 Ų31.24%0.04217%0.168CC..EExtended strand (participates in β ladder)trans-107.3122.5166.7176.90000110.2L149 C168 L170 V171 K172 P182V143-L149 HydrophobicContact CG2-CD2 3.7Å; V143-C168 HydrophobicContact CG2-CB 4.13Å; V143-C168 WeakPolarHBondContact CG2-SG 3.3Å; V143-L170 PolarHBondContact N-O 3.35Å; V143-V171 HydrophobicContact CB-CG2 4.26Å; V143-K172 PolarHBondContact O-N 3.5Å; V143-P182 HydrophobicContact CB-CG 4.48Å; V143-P182 HydrophobicContact CG2-CG 3.7Å
144D87.2Confident92.7Very high69 Ų6933.5 Ų33.537%0.36917%0.167SC..SBendtrans-98.5-90.8169.2-163.149.6000108.9K172 I174D144-K172 HydrophobicContact CB-CD 4.33Å; D144-K172 WeakPolarHBondContact OD1-CD 3.34Å; D144-K172 IonicContact OD1-NZ 3.03Å; D144-I174 HydrophobicContact CB-CD1 4.24Å; D144-I174 VanDerWaalsContact CG-CD1 3.43Å; D144-I174 WeakPolarHBondContact O-CD1 3.45Å; D144-I174 WeakPolarHBondContact OD1-CD1 3.42Å
145T83.4Confident92.6Very high60 Ų6031.3 Ų31.337%0.36816%0.158SC..SBendtrans-79.7-18.9177.361.20000114.1T147 V177 G179T145-T147 VanDerWaalsContact C-N 3.29Å; T145-T147 PolarHBondContact O-N 2.87Å; T145-T147 PolarHBondContact OG1-N 2.84Å; T145-T147 PolarHBondContact OG1-OG1 3.38Å; T145-V177 WeakPolarHBondContact O-CG1 3.45Å; T145-G179 WeakPolarHBondContact O-CA 3.38Å
146G84.8Confident92.5Very high5 Ų530.8 Ų30.85%0.05216%0.155CC..SBendtrans77.95.4-17400000115.1N150G146-N150 WeakPolarHBondContact O-CB 3.31Å; G146-N150 PolarHBondContact O-N 2.61Å; G146-N150 VanDerWaalsContact O-N 3.14Å
147T85.6Confident92.4Very high57 Ų5736.3 Ų36.335%0.3518%0.176SC..Hα-helixtrans-61.3-52.4176.5-56.90000111.7T145 L149 N150 E151T145-T147 VanDerWaalsContact C-N 3.29Å; T145-T147 PolarHBondContact O-N 2.87Å; T145-T147 PolarHBondContact OG1-N 2.84Å; T145-T147 PolarHBondContact OG1-OG1 3.38Å; T147-L149 PolarHBondContact O-N 3.28Å; T147-N150 WeakPolarHBondContact O-CB 3.14Å; T147-N150 PolarHBondContact O-N 2.85Å; T147-E151 PolarHBondContact O-N 2.83Å
148S87Confident92.4Very high32 Ų3243.7 Ų43.722%0.22421%0.208CC..Hα-helixtrans-59-46-177.9-44.70000112.1N150 E151 L152S148-N150 PolarHBondContact O-N 3.37Å; S148-E151 PolarHBondContact O-N 3.01Å; S148-E151 VanDerWaalsContact O-N 3.16Å; S148-L152 WeakPolarHBondContact O-CB 3.34Å; S148-L152 VanDerWaalsContact O-CG 3.29Å; S148-L152 WeakPolarHBondContact O-CG 3.45Å; S148-L152 PolarHBondContact O-N 2.94Å
149L89.8Confident92.4Very high2 Ų246.2 Ų46.21%0.0122%0.218CC..Hα-helixtrans-67-35.2-179.5-171.250.8000112.7I138 E140 V143 T147 L152 E153 C168 Y180 P182I138-L149 HydrophobicContact CG2-CD1 3.82Å; E140-L149 WeakPolarHBondContact OE2-CB 3.47Å; E140-L149 WeakPolarHBondContact OE2-CD1 3.38Å; V143-L149 HydrophobicContact CG2-CD2 3.7Å; T147-L149 PolarHBondContact O-N 3.28Å; L149-L152 PolarHBondContact O-N 2.8Å; L149-E153 WeakPolarHBondContact O-CB 3.45Å; L149-E153 PolarHBondContact O-N 3.41Å; L149-C168 VanDerWaalsContact CD2-SG 3.56Å; L149-Y180 HydrophobicContact CB-CD1 4.08Å; L149-Y180 HydrophobicContact CB-CE1 4.36Å; L149-Y180 HydrophobicContact CD1-CE1 4.37Å; L149-Y180 HydrophobicContact CD2-CD1 3.44Å; L149-Y180 VanDerWaalsContact CD2-CD1 3.44Å; L149-Y180 HydrophobicContact CD2-CE1 3.23Å; L149-Y180 HydrophobicContact CG-CD1 3.58Å; L149-Y180 HydrophobicContact CG-CE1 3.38Å; L149-Y180 HydrophobicContact CG-CG 4.4Å; L149-P182 HydrophobicContact CD2-CB 4.39Å; L149-P182 HydrophobicContact CD2-CG 3.88Å
150N90.4Very high92.4Very high54 Ų5452.1 Ų52.129%0.28925%0.246SC..Hα-helixtrans-59.9-45.5170.6-101.5-35.5000111.7G146 T147 S148 R154 Y180G146-N150 WeakPolarHBondContact O-CB 3.31Å; G146-N150 PolarHBondContact O-N 2.61Å; G146-N150 VanDerWaalsContact O-N 3.14Å; T147-N150 WeakPolarHBondContact O-CB 3.14Å; T147-N150 PolarHBondContact O-N 2.85Å; S148-N150 PolarHBondContact O-N 3.37Å; N150-R154 WeakPolarHBondContact O-CB 3.47Å; N150-R154 VanDerWaalsContact O-CG 3.26Å; N150-R154 WeakPolarHBondContact O-CG 3.38Å; N150-R154 PolarHBondContact O-N 3.41Å; N150-Y180 VanDerWaalsContact OD1-CD2 3.24Å; N150-Y180 WeakPolarHBondContact OD1-CD2 3.48Å
151E90.9Very high92.6Very high47 Ų4752.1 Ų52.122%0.2225%0.247CC..Hα-helixtrans-68.7-40.7179.9-70.2-178.3175.200111.9T120 T147 S148 R154 F155T120-E151 WeakPolarHBondContact CA-OE2 3.42Å; T120-E151 WeakPolarHBondContact CB-OE2 3.5Å; T120-E151 PolarHBondContact N-OE2 3.03Å; T120-E151 PolarHBondContact OG1-OE2 3.26Å; T147-E151 PolarHBondContact O-N 2.83Å; S148-E151 PolarHBondContact O-N 3.01Å; S148-E151 VanDerWaalsContact O-N 3.16Å; E151-R154 PolarHBondContact O-N 3.35Å; E151-F155 WeakPolarHBondContact O-CB 3.46Å; E151-F155 PolarHBondContact O-N 3.06Å
152L92.8Very high92.7Very high0 Ų056.9 Ų56.90%027%0.267CS..Hα-helixtrans-61.2-47.1174-75.9166000112.1I73 L106 A108 I122 S148 L149 F155 V156I73-L152 HydrophobicContact CD1-CD1 3.93Å; I73-L152 HydrophobicContact CD1-CD2 3.81Å; I73-L152 HydrophobicContact CD1-CG 4.44Å; I73-L152 HydrophobicContact CG1-CD1 3.91Å; I73-L152 HydrophobicContact CG2-CD1 4Å; L106-L152 HydrophobicContact CD1-CD2 4.33Å; A108-L152 HydrophobicContact CB-CD1 4.45Å; A108-L152 HydrophobicContact CB-CD2 4.11Å; I122-L152 HydrophobicContact CD1-CD2 3.77Å; I122-L152 HydrophobicContact CD1-CG 4.23Å; I122-L152 HydrophobicContact CG1-CD2 3.82Å; I122-L152 HydrophobicContact CG2-CD2 4.11Å; S148-L152 WeakPolarHBondContact O-CB 3.34Å; S148-L152 VanDerWaalsContact O-CG 3.29Å; S148-L152 WeakPolarHBondContact O-CG 3.45Å; S148-L152 PolarHBondContact O-N 2.94Å; L149-L152 PolarHBondContact O-N 2.8Å; L152-F155 WeakPolarHBondContact O-CB 3.48Å; L152-F155 PolarHBondContact O-N 3.01Å; L152-V156 WeakPolarHBondContact O-CG2 3.35Å; L152-V156 PolarHBondContact O-N 3.09Å
153E94.3Very high92.8Very high30 Ų3055.9 Ų55.914%0.1426%0.264CS..Hα-helixtrans-62.3-45.3176.1178.2168.4144.500111.2I138 L149 F155 V156 R157 V164 Y180I138-E153 HydrophobicContact CD1-CB 4.25Å; L149-E153 WeakPolarHBondContact O-CB 3.45Å; L149-E153 PolarHBondContact O-N 3.41Å; E153-F155 VanDerWaalsContact C-N 3.28Å; E153-F155 PolarHBondContact O-N 3.42Å; E153-V156 PolarHBondContact O-N 3.33Å; E153-R157 HydrophobicContact CG-CG 4.17Å; E153-R157 WeakPolarHBondContact O-CB 3.5Å; E153-R157 VanDerWaalsContact O-CG 3.28Å; E153-R157 WeakPolarHBondContact O-CG 2.91Å; E153-R157 PolarHBondContact O-N 3.11Å; E153-R157 IonicContact OE1-CZ 3.86Å; E153-R157 IonicContact OE1-NE 2.62Å; E153-R157 PolarHBondContact OE1-NE 3.34Å; E153-R157 IonicContact OE1-NH2 3.85Å; E153-R157 PolarHBondContact OE1-NH2 3.38Å; E153-V164 HydrophobicContact CG-CG1 4.13Å; E153-Y180 WeakPolarHBondContact OE2-CE2 3.43Å; E153-Y180 PolarHBondContact OE2-OH 2.64Å
154R94.2Very high93.1Very high167 Ų16756 Ų5663%0.6326%0.264SS*.Hα-helixtrans-58.2-42.5175-75.1175.3-170.7173.24.4111.5N150 E151 K158N150-R154 WeakPolarHBondContact O-CB 3.47Å; N150-R154 VanDerWaalsContact O-CG 3.26Å; N150-R154 WeakPolarHBondContact O-CG 3.38Å; N150-R154 PolarHBondContact O-N 3.41Å; E151-R154 PolarHBondContact O-N 3.35Å; R154-K158 WeakPolarHBondContact O-CG 2.94Å; R154-K158 PolarHBondContact O-N 3.01Å
155F95.4Very high93.5Very high31 Ų3155.5 Ų55.514%0.13626%0.258CS..Hα-helixtrans-61.3-50.7177.2175.8-96.2000111.8L106 I122 P124 M128 E151 L152 E153 R157 K158 Y159L106-F155 HydrophobicContact CD1-CD1 4.23Å; L106-F155 HydrophobicContact CD1-CE1 4.26Å; L106-F155 HydrophobicContact CD2-CE1 4.28Å; I122-F155 HydrophobicContact CB-CD2 4.44Å; I122-F155 HydrophobicContact CB-CG 4.41Å; I122-F155 HydrophobicContact CD1-CB 3.57Å; I122-F155 HydrophobicContact CD1-CD1 4.42Å; I122-F155 HydrophobicContact CD1-CD2 4.31Å; I122-F155 HydrophobicContact CD1-CG 3.86Å; I122-F155 HydrophobicContact CG2-CD1 3.65Å; I122-F155 HydrophobicContact CG2-CD2 4.35Å; I122-F155 HydrophobicContact CG2-CE1 3.69Å; I122-F155 HydrophobicContact CG2-CE2 4.39Å; I122-F155 HydrophobicContact CG2-CG 4Å; I122-F155 HydrophobicContact CG2-CZ 4.09Å; P124-F155 HydrophobicContact CG-CE1 3.84Å; P124-F155 HydrophobicContact CG-CZ 3.51Å; M128-F155 HydrophobicContact CE-CD1 4.35Å; M128-F155 HydrophobicContact CE-CE1 3.79Å; M128-F155 HydrophobicContact CG-CE1 4.09Å; M128-F155 HydrophobicContact CG-CZ 4.18Å; M128-F155 HydrophobicContact SD-CE1 4.21Å; E151-F155 WeakPolarHBondContact O-CB 3.46Å; E151-F155 PolarHBondContact O-N 3.06Å; L152-F155 WeakPolarHBondContact O-CB 3.48Å; L152-F155 PolarHBondContact O-N 3.01Å; E153-F155 VanDerWaalsContact C-N 3.28Å; E153-F155 PolarHBondContact O-N 3.42Å; F155-R157 VanDerWaalsContact C-N 3.34Å; F155-R157 PolarHBondContact O-N 3.45Å; F155-K158 WeakPolarHBondContact O-CB 3.22Å; F155-K158 PolarHBondContact O-N 2.82Å; F155-Y159 HydrophobicContact CE1-CE2 4.11Å; F155-Y159 HydrophobicContact CE2-CE2 4.34Å; F155-Y159 AromaticContact CZ-CE2 3.96Å; F155-Y159 HydrophobicContact CZ-CE2 3.96Å; F155-Y159 WeakPolarHBondContact O-CD2 3.32Å
156V96.7Very high94.1Very high1 Ų152.7 Ų52.71%0.00624%0.24CC..Hα-helixtrans-63.1-40.1179.3171.30000111.4I71 L106 M128 V136 I138 L152 E153 K158 Y159 P161 V164I71-V156 HydrophobicContact CD1-CG1 4.24Å; I71-V156 HydrophobicContact CD1-CG2 4.02Å; L106-V156 HydrophobicContact CD1-CG2 4.13Å; M128-V156 HydrophobicContact CE-CG2 4.22Å; V136-V156 HydrophobicContact CG1-CG1 4.06Å; I138-V156 HydrophobicContact CD1-CB 4.25Å; I138-V156 HydrophobicContact CD1-CG2 3.97Å; I138-V156 HydrophobicContact CG1-CG2 4.4Å; L152-V156 WeakPolarHBondContact O-CG2 3.35Å; L152-V156 PolarHBondContact O-N 3.09Å; E153-V156 PolarHBondContact O-N 3.33Å; V156-K158 PolarHBondContact O-N 3.19Å; V156-Y159 PolarHBondContact O-N 2.85Å; V156-Y159 VanDerWaalsContact O-N 3.15Å; V156-P161 HydrophobicContact CG1-CG 4.31Å; V156-V164 HydrophobicContact CG1-CG1 4.48Å; V156-V164 HydrophobicContact CG1-CG2 4.14Å
157R97.3Very high94.7Very high115 Ų11552.4 Ų52.443%0.43424%0.238SC..Hα-helixtrans-64.1-22.2179.4-75.9-175.1-175.6-69.1-2.4114.2E153 F155 Y159 E160 V164E153-R157 HydrophobicContact CG-CG 4.17Å; E153-R157 WeakPolarHBondContact O-CB 3.5Å; E153-R157 VanDerWaalsContact O-CG 3.28Å; E153-R157 WeakPolarHBondContact O-CG 2.91Å; E153-R157 PolarHBondContact O-N 3.11Å; E153-R157 IonicContact OE1-CZ 3.86Å; E153-R157 IonicContact OE1-NE 2.62Å; E153-R157 PolarHBondContact OE1-NE 3.34Å; E153-R157 IonicContact OE1-NH2 3.85Å; E153-R157 PolarHBondContact OE1-NH2 3.38Å; F155-R157 VanDerWaalsContact C-N 3.34Å; F155-R157 PolarHBondContact O-N 3.45Å; R157-Y159 PolarHBondContact O-N 3.16Å; R157-Y159 VanDerWaalsContact O-N 3.15Å; R157-E160 PolarHBondContact O-N 2.88Å; R157-V164 HydrophobicContact CG-CG2 3.86Å
158K97.7Very high95.2Very high157 Ų15749.7 Ų49.768%0.68322%0.221SC*.THydrogen-bonded Turntrans-59.7-22173.8-70173-177.3178.20113R154 F155 V156 E160R154-K158 WeakPolarHBondContact O-CG 2.94Å; R154-K158 PolarHBondContact O-N 3.01Å; F155-K158 WeakPolarHBondContact O-CB 3.22Å; F155-K158 PolarHBondContact O-N 2.82Å; V156-K158 PolarHBondContact O-N 3.19Å; K158-E160 VanDerWaalsContact C-N 3.33Å
159Y97.9Very high95.8Very high53 Ų5348.2 Ų48.221%0.20821%0.211CC..THydrogen-bonded Turntrans-94.812.4179.5-58.9-81.1000113.1M128 R132 F155 V156 R157M128-Y159 HydrophobicContact CB-CD1 3.6Å; M128-Y159 HydrophobicContact CB-CD2 3.63Å; M128-Y159 HydrophobicContact CB-CE1 3.38Å; M128-Y159 HydrophobicContact CB-CE2 3.41Å; M128-Y159 VanDerWaalsContact CB-CE2 3.41Å; M128-Y159 HydrophobicContact CB-CG 3.71Å; M128-Y159 HydrophobicContact CE-CD2 4.26Å; M128-Y159 HydrophobicContact CE-CE2 4.34Å; M128-Y159 HydrophobicContact CG-CD2 4.29Å; M128-Y159 HydrophobicContact CG-CE1 4.35Å; M128-Y159 HydrophobicContact CG-CE2 3.73Å; R132-Y159 WeakPolarHBondContact CA-O 3.47Å; R132-Y159 WeakPolarHBondContact CB-O 3.48Å; F155-Y159 HydrophobicContact CE1-CE2 4.11Å; F155-Y159 HydrophobicContact CE2-CE2 4.34Å; F155-Y159 AromaticContact CZ-CE2 3.96Å; F155-Y159 HydrophobicContact CZ-CE2 3.96Å; F155-Y159 WeakPolarHBondContact O-CD2 3.32Å; V156-Y159 PolarHBondContact O-N 2.85Å; V156-Y159 VanDerWaalsContact O-N 3.15Å; R157-Y159 PolarHBondContact O-N 3.16Å; R157-Y159 VanDerWaalsContact O-N 3.15Å
160E98.2Very high96.1Very high125 Ų12548.1 Ų48.158%0.58421%0.21SC*.  trans51.453174.7-58.8179.2154.100114R132 D133 R157 K158R132-E160 IonicContact CZ-OE2 3.67Å; R132-E160 IonicContact NH1-OE2 3.76Å; R132-E160 PolarHBondContact NH1-OE2 3.19Å; D133-E160 PolarHBondContact N-O 2.83Å; R157-E160 PolarHBondContact O-N 2.88Å; K158-E160 VanDerWaalsContact C-N 3.33Å
161P98.3Very high96.3Very high17 Ų1746.1 Ų46.111%0.1120%0.2CC..  trans-63.7150.1168.931-36.3000110.4F131 K134 V136 V156 S163 V164F131-P161 WeakPolarHBondContact O-CA 3.4Å; K134-P161 CarbonylContact O-C 3.58Å; K134-P161 WeakPolarHBondContact O-CA 2.96Å; K134-P161 WeakPolarHBondContact O-CB 3.12Å; V136-P161 HydrophobicContact CG2-CB 3.91Å; V156-P161 HydrophobicContact CG1-CG 4.31Å; P161-S163 VanDerWaalsContact C-N 3.29Å; P161-S163 PolarHBondContact O-N 3Å; P161-V164 HydrophobicContact CB-CG2 4.05Å; P161-V164 HydrophobicContact CG-CG2 3.25Å
162K98.3Very high96.3Very high126 Ų12644.9 Ų44.955%0.54819%0.194SC..SBendtrans-61.9-38.8176.2178.7-176167.4-153.70111.7K134 D135K134-K162 PolarHBondContact O-N 2.81Å; D135-K162 IonicContact OD2-NZ 3.38Å; D135-K162 PolarHBondContact OD2-NZ 3.31Å
163S97.7Very high96.1Very high19 Ų1946.4 Ų46.413%0.13320%0.199CC..EExtended strand (participates in β ladder)trans-149.8149.8173.774.50000110.5K134 D135 V136 P161K134-S163 PolarHBondContact O-N 2.94Å; D135-S163 WeakPolarHBondContact OD1-CB 3.34Å; D135-S163 PolarHBondContact OD1-OG 3.17Å; V136-S163 PolarHBondContact N-O 3.46Å; P161-S163 VanDerWaalsContact C-N 3.29Å; P161-S163 PolarHBondContact O-N 3Å
164V97.3Very high95.7Very high10 Ų1046.5 Ų46.56%0.06120%0.201CC..EExtended strand (participates in β ladder)trans-129.3123.2170.8-1720000107.5V136 I138 E153 V156 R157 P161V136-V164 WeakPolarHBondContact O-CA 3.23Å; I138-V164 HydrophobicContact CD1-CG1 3.71Å; I138-V164 HydrophobicContact CG1-CG1 4.09Å; E153-V164 HydrophobicContact CG-CG1 4.13Å; V156-V164 HydrophobicContact CG1-CG1 4.48Å; V156-V164 HydrophobicContact CG1-CG2 4.14Å; R157-V164 HydrophobicContact CG-CG2 3.86Å; P161-V164 HydrophobicContact CB-CG2 4.05Å; P161-V164 HydrophobicContact CG-CG2 3.25Å
165Y96.5Very high94.6Very high58 Ų5842.4 Ų42.423%0.22720%0.202CC..EExtended strand (participates in β ladder)trans-120.8165.2167.1-62-71.3000109.1Y60 V136 L137 I138 T183 Y184Y60-Y165 HydrophobicContact CD1-CE2 4.42Å; Y60-Y165 AromaticContact CE1-CD2 3.62Å; Y60-Y165 HydrophobicContact CE1-CD2 3.62Å; Y60-Y165 AromaticContact CE1-CE2 3.71Å; Y60-Y165 HydrophobicContact CE1-CE2 3.71Å; V136-Y165 PolarHBondContact O-N 2.79Å; L137-Y165 CarbonylContact C-O 3.49Å; L137-Y165 WeakPolarHBondContact CA-O 3.19Å; I138-Y165 PolarHBondContact N-O 3.04Å; Y165-T183 HydrophobicContact CD1-CG2 3.62Å; Y165-T183 HydrophobicContact CE1-CG2 4.32Å; Y165-T183 HydrophobicContact CG-CG2 4.29Å; Y165-Y184 HydrophobicContact CG-CE2 4.43Å
166S96.1Very high93.3Very high0 Ų050.2 Ų50.20%024%0.239CC..EExtended strand (participates in β ladder)trans-127.3142.5176.249.30000110.9I138 Y180 P182 T183 Y184I138-S166 CarbonylContact O-C 3.54Å; I138-S166 VanDerWaalsContact O-CA 3.28Å; I138-S166 WeakPolarHBondContact O-CA 3.5Å; S166-Y180 WeakPolarHBondContact CB-OH 3.34Å; S166-Y180 WeakPolarHBondContact OG-CE1 2.89Å; S166-Y180 PolarHBondContact OG-OH 3.49Å; S166-P182 VanDerWaalsContact OG-CA 3.25Å; S166-P182 WeakPolarHBondContact OG-CA 3.29Å; S166-T183 PolarHBondContact N-OG1 3.34Å; S166-T183 WeakPolarHBondContact O-CA 3.38Å; S166-T183 VanDerWaalsContact O-CB 3.27Å; S166-T183 WeakPolarHBondContact O-CB 3.3Å; S166-T183 PolarHBondContact O-N 3.07Å; S166-T183 VanDerWaalsContact O-N 3.12Å; S166-T183 PolarHBondContact OG-N 3.3Å; S166-T183 VanDerWaalsContact OG-N 3.14Å; S166-Y184 WeakPolarHBondContact O-CD2 3.36Å; S166-Y184 PolarHBondContact O-N 2.82Å
167A97.1Very high91.7Very high0 Ų052.7 Ų52.70%025%0.254CS..EExtended strand (participates in β ladder)trans-122.4129.3168.900000109.1M52 F80 L84 L137 I138 V139 E140 Y184M52-A167 HydrophobicContact CE-CB 4.46Å; F80-A167 HydrophobicContact CE1-CB 4.5Å; F80-A167 HydrophobicContact CZ-CB 4.14Å; L84-A167 HydrophobicContact CD2-CB 4.22Å; L137-A167 HydrophobicContact CD1-CB 4.07Å; L137-A167 HydrophobicContact CD2-CB 4.39Å; L137-A167 HydrophobicContact CG-CB 4.38Å; I138-A167 PolarHBondContact O-N 3.04Å; V139-A167 WeakPolarHBondContact CA-O 3.38Å; V139-A167 HydrophobicContact CG2-CB 4.4Å; E140-A167 PolarHBondContact N-O 3.17Å; A167-Y184 CarbonylContact C-O 3.5Å; A167-Y184 VanDerWaalsContact CA-O 3.29Å; A167-Y184 WeakPolarHBondContact CA-O 3.28Å; A167-Y184 HydrophobicContact CB-CD2 4.41Å
168C96.3Very high89.8Confident0 Ų053.7 Ų53.70%028%0.276CS..EExtended strand (participates in β ladder)trans-123.1136.4176.8-63.40000110E140 V143 L149 P182 Y184 V185 G186E140-C168 VanDerWaalsContact O-CA 3.3Å; E140-C168 WeakPolarHBondContact O-CA 3.2Å; V143-C168 HydrophobicContact CG2-CB 4.13Å; V143-C168 WeakPolarHBondContact CG2-SG 3.3Å; L149-C168 VanDerWaalsContact CD2-SG 3.56Å; C168-P182 HydrophobicContact CB-CB 4.03Å; C168-P182 HydrophobicContact CB-CG 3.85Å; C168-P182 WeakPolarHBondContact SG-CG 3.33Å; C168-Y184 PolarHBondContact N-O 3.27Å; C168-V185 WeakPolarHBondContact O-CA 3.34Å; C168-G186 PolarHBondContact O-N 2.86Å
169L97.8Very high88.1Confident1 Ų147.6 Ų47.61%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-68.9-46.5175.3175.465.6000109.8V45 F80 E140 D141 G186 F187 Y197 V211V45-L169 HydrophobicContact CG1-CD1 3.77Å; V45-L169 HydrophobicContact CG1-CD2 4.39Å; F80-L169 HydrophobicContact CB-CB 4.34Å; F80-L169 HydrophobicContact CB-CD2 4.42Å; F80-L169 HydrophobicContact CD1-CB 3.74Å; F80-L169 HydrophobicContact CD2-CB 4.14Å; F80-L169 HydrophobicContact CD2-CD1 4.43Å; F80-L169 HydrophobicContact CE1-CB 3.99Å; F80-L169 HydrophobicContact CE2-CB 4.39Å; F80-L169 HydrophobicContact CG-CB 3.81Å; F80-L169 HydrophobicContact CZ-CB 4.32Å; E140-L169 PolarHBondContact O-N 2.97Å; D141-L169 WeakPolarHBondContact O-CB 3.46Å; D141-L169 PolarHBondContact O-N 2.99Å; L169-G186 CarbonylContact O-C 3.56Å; L169-G186 VanDerWaalsContact O-CA 3.32Å; L169-G186 WeakPolarHBondContact O-CA 3.08Å; L169-G186 PolarHBondContact O-N 3.18Å; L169-F187 HydrophobicContact CD1-CD2 3.85Å; L169-F187 HydrophobicContact CD1-CE2 3.79Å; L169-F187 PolarHBondContact O-N 2.88Å; L169-Y197 HydrophobicContact CD2-CD1 3.4Å; L169-Y197 HydrophobicContact CD2-CE1 3.72Å; L169-Y197 HydrophobicContact CD2-CG 4.48Å; L169-V211 HydrophobicContact CD2-CG2 4.5Å
170L96.6Very high86.9Confident0 Ų046.8 Ų46.80%025%0.254CS..EExtended strand (participates in β ladder)trans-122.5141.8-176-51.7179.6000111.7I40 D141 M142 V143 F187 V189 I194 I199 V211I40-L170 HydrophobicContact CD1-CD2 3.66Å; D141-L170 PolarHBondContact O-N 2.83Å; M142-L170 CarbonylContact C-O 3.5Å; M142-L170 VanDerWaalsContact CA-O 3.32Å; M142-L170 WeakPolarHBondContact CA-O 3.49Å; M142-L170 HydrophobicContact CB-CB 4.09Å; M142-L170 HydrophobicContact CG-CB 3.91Å; M142-L170 HydrophobicContact SD-CD1 4.38Å; V143-L170 PolarHBondContact N-O 3.35Å; L170-F187 CarbonylContact C-O 3.54Å; L170-F187 WeakPolarHBondContact CA-O 3.36Å; L170-F187 HydrophobicContact CD2-CB 4.03Å; L170-F187 HydrophobicContact CD2-CD2 4.18Å; L170-F187 HydrophobicContact CD2-CG 4.49Å; L170-V189 HydrophobicContact CB-CG2 4.29Å; L170-V189 HydrophobicContact CD2-CG1 4.04Å; L170-I194 HydrophobicContact CD1-CD1 4.07Å; L170-I194 HydrophobicContact CD1-CG2 3.86Å; L170-I199 HydrophobicContact CD1-CD1 3.52Å; L170-V211 HydrophobicContact CD1-CG1 3.77Å; L170-V211 HydrophobicContact CD2-CG1 4.43Å
171V94Very high86.1Confident11 Ų1146.1 Ų46.17%0.06725%0.249CC..EExtended strand (participates in β ladder)trans-125.4125.2163.3175.50000107.9V143 P182 V185 F187 E188 V189V143-V171 HydrophobicContact CB-CG2 4.26Å; V171-P182 HydrophobicContact CG2-CG 4.16Å; V171-V185 HydrophobicContact CB-CG1 4.17Å; V171-V185 HydrophobicContact CG2-CB 4.33Å; V171-V185 HydrophobicContact CG2-CG1 3.61Å; V171-V185 HydrophobicContact CG2-CG2 3.7Å; V171-F187 PolarHBondContact N-O 3.32Å; V171-E188 CarbonylContact O-C 3.58Å; V171-E188 VanDerWaalsContact O-CA 3.31Å; V171-E188 WeakPolarHBondContact O-CA 3.29Å; V171-V189 PolarHBondContact O-N 2.83Å
172K92.4Very high85.8Confident22 Ų2245.5 Ų45.510%0.09625%0.245CC..EExtended strand (participates in β ladder)trans-79.3142.2177.5-78.6175.6162-165.40112M142 V143 D144 I174 V189 N191 V192M142-K172 HydrophobicContact SD-CD 3.9Å; M142-K172 VanDerWaalsContact SD-CE 3.54Å; M142-K172 HydrophobicContact SD-CG 4.04Å; V143-K172 PolarHBondContact O-N 3.5Å; D144-K172 HydrophobicContact CB-CD 4.33Å; D144-K172 WeakPolarHBondContact OD1-CD 3.34Å; D144-K172 IonicContact OD1-NZ 3.03Å; K172-I174 HydrophobicContact CB-CD1 4.46Å; K172-I174 HydrophobicContact CB-CG1 4.09Å; K172-I174 PolarHBondContact O-N 3.05Å; K172-I174 VanDerWaalsContact O-N 3.08Å; K172-V189 CarbonylContact C-O 3.58Å; K172-V189 WeakPolarHBondContact CA-O 2.95Å; K172-V189 HydrophobicContact CG-CG2 4.06Å; K172-N191 PolarHBondContact NZ-OD1 2.84Å; K172-V192 WeakPolarHBondContact CE-O 3.49Å; K172-V192 PolarHBondContact NZ-O 3.18Å; K172-V192 VanDerWaalsContact NZ-O 3.09Å
173R89.1Confident85.6Confident32 Ų3240.7 Ų40.712%0.12123%0.226CC..  trans-75.592.5167.1-83.1-178-59.4-75.311.4111.2F13 D14 D15 E188 V189 N191F13-R173 PolarHBondContact O-NH1 3.17Å; F13-R173 PolarHBondContact O-NH2 2.92Å; D14-R173 VanDerWaalsContact CA-NH2 3.28Å; D14-R173 PolarHBondContact O-NH2 3.43Å; D15-R173 IonicContact OD1-CZ 3.36Å; D15-R173 IonicContact OD1-NE 3.51Å; D15-R173 PolarHBondContact OD1-NE 2.84Å; D15-R173 IonicContact OD1-NH2 2.83Å; R173-E188 HydrophobicContact CG-CG 3.89Å; R173-E188 WeakPolarHBondContact CG-OE1 3.35Å; R173-E188 PolarHBondContact NH1-O 3.35Å; R173-V189 PolarHBondContact N-O 3.16Å; R173-V189 VanDerWaalsContact NH1-N 3.18Å; R173-V189 PolarHBondContact NH1-O 2.86Å; R173-V189 VanDerWaalsContact NH2-C 3.29Å; R173-N191 WeakPolarHBondContact O-CB 3.48Å
174I84.2Confident85.5Confident32 Ų3240 Ų4016%0.16422%0.221CC..  trans-110.7130168.6-43.3174.6000107.9R4 D144 K172 V177R4-I174 PolarHBondContact NH2-O 2.85Å; D144-I174 HydrophobicContact CB-CD1 4.24Å; D144-I174 VanDerWaalsContact CG-CD1 3.43Å; D144-I174 WeakPolarHBondContact O-CD1 3.45Å; D144-I174 WeakPolarHBondContact OD1-CD1 3.42Å; K172-I174 HydrophobicContact CB-CD1 4.46Å; K172-I174 HydrophobicContact CB-CG1 4.09Å; K172-I174 PolarHBondContact O-N 3.05Å; K172-I174 VanDerWaalsContact O-N 3.08Å; I174-V177 HydrophobicContact CB-CG2 3.8Å; I174-V177 HydrophobicContact CD1-CG2 4.34Å; I174-V177 HydrophobicContact CG2-CG2 3.54Å
175A72.3Confident85.5Confident80 Ų8039.6 Ų39.666%0.66122%0.218SC*.SBendtrans-69146.9171.100000109.6V177A175-V177 VanDerWaalsContact C-N 3.27Å; A175-V177 PolarHBondContact O-N 2.85Å; A175-V177 VanDerWaalsContact O-N 3.07Å
176E66.9Low85.5Confident195 Ų19536.8 Ų36.891%0.91121%0.207SC*.SBendtrans67.66.9164.5-53.7-178.117400118.2P178E176-P178 WeakPolarHBondContact O-CD 3.45Å
177V63.8Low85.6Confident54 Ų5436.8 Ų36.833%0.32721%0.207SC..  trans-79.8126.3171.8-1730000109.7T145 I174 A175 G179T145-V177 WeakPolarHBondContact O-CG1 3.45Å; I174-V177 HydrophobicContact CB-CG2 3.8Å; I174-V177 HydrophobicContact CD1-CG2 4.34Å; I174-V177 HydrophobicContact CG2-CG2 3.54Å; A175-V177 VanDerWaalsContact C-N 3.27Å; A175-V177 PolarHBondContact O-N 2.85Å; A175-V177 VanDerWaalsContact O-N 3.07Å; V177-G179 PolarHBondContact O-N 2.99Å
178P56.6Low85.5Confident136 Ų13637.3 Ų37.388%0.88321%0.21SC*.  trans-71.535.7172.1-7.923.8000113E176E176-P178 WeakPolarHBondContact O-CD 3.45Å
179G62.5Low85.4Confident29 Ų2937.4 Ų37.430%0.29921%0.21SC..PPolyproline II helixtrans-69145.8-15800000113.9T145 V177 K181T145-G179 WeakPolarHBondContact O-CA 3.38Å; V177-G179 PolarHBondContact O-N 2.99Å; G179-K181 PolarHBondContact O-N 2.57Å
180Y72Confident85.2Confident35 Ų3537.8 Ų37.814%0.13721%0.213CC..PPolyproline II helixtrans-49.7134.5163.9177.3-85.6000110.3L149 N150 E153 S166 P182L149-Y180 HydrophobicContact CB-CD1 4.08Å; L149-Y180 HydrophobicContact CB-CE1 4.36Å; L149-Y180 HydrophobicContact CD1-CE1 4.37Å; L149-Y180 HydrophobicContact CD2-CD1 3.44Å; L149-Y180 VanDerWaalsContact CD2-CD1 3.44Å; L149-Y180 HydrophobicContact CD2-CE1 3.23Å; L149-Y180 HydrophobicContact CG-CD1 3.58Å; L149-Y180 HydrophobicContact CG-CE1 3.38Å; L149-Y180 HydrophobicContact CG-CG 4.4Å; N150-Y180 VanDerWaalsContact OD1-CD2 3.24Å; N150-Y180 WeakPolarHBondContact OD1-CD2 3.48Å; E153-Y180 WeakPolarHBondContact OE2-CE2 3.43Å; E153-Y180 PolarHBondContact OE2-OH 2.64Å; S166-Y180 WeakPolarHBondContact CB-OH 3.34Å; S166-Y180 WeakPolarHBondContact OG-CE1 2.89Å; S166-Y180 PolarHBondContact OG-OH 3.49Å; Y180-P182 HydrophobicContact CD1-CG 4.5Å; Y180-P182 HydrophobicContact CE1-CG 4.43Å
181K82.7Confident85Confident112 Ų11242 Ų4249%0.48724%0.235SC..PPolyproline II helixtrans-102.9117.8177-68.2-177179.5179.30109.4G179G179-K181 PolarHBondContact O-N 2.57Å
182P91.3Very high85Confident3 Ų344.1 Ų44.12%0.01925%0.248CC..PPolyproline II helixtrans-59.6147.3172.9-21.832.8000111.9V143 L149 S166 C168 V171 Y180 V185V143-P182 HydrophobicContact CB-CG 4.48Å; V143-P182 HydrophobicContact CG2-CG 3.7Å; L149-P182 HydrophobicContact CD2-CB 4.39Å; L149-P182 HydrophobicContact CD2-CG 3.88Å; S166-P182 VanDerWaalsContact OG-CA 3.25Å; S166-P182 WeakPolarHBondContact OG-CA 3.29Å; C168-P182 HydrophobicContact CB-CB 4.03Å; C168-P182 HydrophobicContact CB-CG 3.85Å; C168-P182 WeakPolarHBondContact SG-CG 3.33Å; V171-P182 HydrophobicContact CG2-CG 4.16Å; Y180-P182 HydrophobicContact CD1-CG 4.5Å; Y180-P182 HydrophobicContact CE1-CG 4.43Å; P182-V185 HydrophobicContact CB-CG2 3.9Å; P182-V185 HydrophobicContact CG-CG2 4.21Å
183T94.2Very high85.1Confident25 Ų2546.6 Ų46.615%0.15326%0.259CS..SBendtrans-64-46177.4-49.90000111.1K7 Y165 S166K7-T183 HydrophobicContact CB-CG2 4.02Å; K7-T183 WeakPolarHBondContact CB-O 3.45Å; K7-T183 HydrophobicContact CD-CG2 3.63Å; K7-T183 HydrophobicContact CG-CG2 4.49Å; K7-T183 PolarHBondContact N-O 3.06Å; Y165-T183 HydrophobicContact CD1-CG2 3.62Å; Y165-T183 HydrophobicContact CE1-CG2 4.32Å; Y165-T183 HydrophobicContact CG-CG2 4.29Å; S166-T183 PolarHBondContact N-OG1 3.34Å; S166-T183 WeakPolarHBondContact O-CA 3.38Å; S166-T183 VanDerWaalsContact O-CB 3.27Å; S166-T183 WeakPolarHBondContact O-CB 3.3Å; S166-T183 PolarHBondContact O-N 3.07Å; S166-T183 VanDerWaalsContact O-N 3.12Å; S166-T183 PolarHBondContact OG-N 3.3Å; S166-T183 VanDerWaalsContact OG-N 3.14Å
184Y96.3Very high85.4Confident5 Ų545.3 Ų45.32%0.0226%0.255CS..EExtended strand (participates in β ladder)trans-120.8128.9-178.5-51.3-80.3000109.9N8 I56 D59 L137 Y165 S166 A167 C168N8-Y184 WeakPolarHBondContact ND2-CE1 3.49Å; I56-Y184 HydrophobicContact CB-CE1 4.41Å; I56-Y184 HydrophobicContact CD1-CD2 4.24Å; I56-Y184 HydrophobicContact CD1-CG 4.19Å; I56-Y184 HydrophobicContact CG1-CD1 3.63Å; I56-Y184 HydrophobicContact CG1-CD2 3.74Å; I56-Y184 HydrophobicContact CG1-CE1 3.68Å; I56-Y184 HydrophobicContact CG1-CE2 3.77Å; I56-Y184 HydrophobicContact CG1-CG 3.67Å; D59-Y184 PolarHBondContact OD2-OH 3.29Å; L137-Y184 HydrophobicContact CD1-CD2 3.98Å; L137-Y184 HydrophobicContact CD1-CE2 4.07Å; Y165-Y184 HydrophobicContact CG-CE2 4.43Å; S166-Y184 WeakPolarHBondContact O-CD2 3.36Å; S166-Y184 PolarHBondContact O-N 2.82Å; A167-Y184 CarbonylContact C-O 3.5Å; A167-Y184 VanDerWaalsContact CA-O 3.29Å; A167-Y184 WeakPolarHBondContact CA-O 3.28Å; A167-Y184 HydrophobicContact CB-CD2 4.41Å; C168-Y184 PolarHBondContact N-O 3.27Å
185V96.2Very high86Confident1 Ų143.8 Ų43.81%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-126.1130.6-178.8178.10000110.1Y6 C10 R48 C168 V171 P182Y6-V185 HydrophobicContact CD1-CB 4.33Å; Y6-V185 HydrophobicContact CD1-CG2 3.53Å; Y6-V185 HydrophobicContact CE1-CG2 3.69Å; Y6-V185 HydrophobicContact CG-CB 4.43Å; Y6-V185 HydrophobicContact CG-CG2 4.09Å; C10-V185 HydrophobicContact CB-CB 3.78Å; C10-V185 HydrophobicContact CB-CG1 3.77Å; C10-V185 VanDerWaalsContact CB-O 3.23Å; C10-V185 WeakPolarHBondContact CB-O 3.44Å; R48-V185 PolarHBondContact NH2-O 2.75Å; C168-V185 WeakPolarHBondContact O-CA 3.34Å; V171-V185 HydrophobicContact CB-CG1 4.17Å; V171-V185 HydrophobicContact CG2-CB 4.33Å; V171-V185 HydrophobicContact CG2-CG1 3.61Å; V171-V185 HydrophobicContact CG2-CG2 3.7Å; P182-V185 HydrophobicContact CB-CG2 3.9Å; P182-V185 HydrophobicContact CG-CG2 4.21Å
186G97.5Very high87.2Confident0 Ų040 Ų400%022%0.215CC..EExtended strand (participates in β ladder)trans-68.9-65.7171.700000110.7I11 R48 M52 C168 L169I11-G186 PolarHBondContact N-O 2.99Å; I11-G186 VanDerWaalsContact N-O 3.12Å; R48-G186 PolarHBondContact NE-O 3.15Å; R48-G186 VanDerWaalsContact NE-O 3.12Å; M52-G186 WeakPolarHBondContact SD-CA 3.22Å; C168-G186 PolarHBondContact O-N 2.86Å; L169-G186 CarbonylContact O-C 3.56Å; L169-G186 VanDerWaalsContact O-CA 3.32Å; L169-G186 WeakPolarHBondContact O-CA 3.08Å; L169-G186 PolarHBondContact O-N 3.18Å
187F97.2Very high88.7Confident0 Ų031.1 Ų31.10%017%0.174CC..EExtended strand (participates in β ladder)trans-138.2137-171.7-53.5-91.9000112.1I11 F13 I40 M44 V45 R48 L169 L170 V171 V189I11-F187 HydrophobicContact CB-CD1 3.66Å; I11-F187 HydrophobicContact CB-CE1 4.05Å; I11-F187 HydrophobicContact CD1-CD1 4.19Å; I11-F187 HydrophobicContact CD1-CE1 3.65Å; I11-F187 HydrophobicContact CD1-CZ 4.44Å; I11-F187 HydrophobicContact CG1-CD1 4.45Å; I11-F187 HydrophobicContact CG1-CE1 4.38Å; I11-F187 HydrophobicContact CG2-CD1 3.89Å; I11-F187 HydrophobicContact CG2-CE1 4.25Å; I11-F187 CarbonylContact O-C 3.55Å; I11-F187 VanDerWaalsContact O-CA 3.28Å; I11-F187 WeakPolarHBondContact O-CA 3.3Å; F13-F187 HydrophobicContact CE2-CB 4.39Å; F13-F187 AromaticContact CE2-CD1 3.6Å; F13-F187 HydrophobicContact CE2-CD1 3.6Å; F13-F187 HydrophobicContact CE2-CE1 4.31Å; F13-F187 HydrophobicContact CE2-CG 4.36Å; F13-F187 HydrophobicContact CZ-CD1 4.17Å; I40-F187 HydrophobicContact CD1-CB 3.71Å; I40-F187 HydrophobicContact CD1-CD1 3.76Å; I40-F187 HydrophobicContact CD1-CD2 3.68Å; I40-F187 HydrophobicContact CD1-CE1 4.27Å; I40-F187 HydrophobicContact CD1-CE2 4.22Å; I40-F187 HydrophobicContact CD1-CG 3.44Å; I40-F187 VanDerWaalsContact CD1-CG 3.44Å; I40-F187 HydrophobicContact CD1-CZ 4.48Å; I40-F187 HydrophobicContact CG2-CD1 4.37Å; I40-F187 HydrophobicContact CG2-CE1 3.84Å; I40-F187 HydrophobicContact CG2-CE2 4.2Å; I40-F187 HydrophobicContact CG2-CZ 3.76Å; M44-F187 HydrophobicContact CG-CE1 3.91Å; M44-F187 HydrophobicContact CG-CZ 4.05Å; M44-F187 HydrophobicContact SD-CE1 4.03Å; V45-F187 HydrophobicContact CG2-CE2 4.25Å; R48-F187 HydrophobicContact CB-CE1 4.24Å; R48-F187 HydrophobicContact CB-CE2 3.85Å; R48-F187 HydrophobicContact CB-CZ 3.44Å; R48-F187 VanDerWaalsContact CB-CZ 3.44Å; R48-F187 HydrophobicContact CG-CE1 4.32Å; R48-F187 HydrophobicContact CG-CE2 3.83Å; R48-F187 HydrophobicContact CG-CZ 3.73Å; L169-F187 HydrophobicContact CD1-CD2 3.85Å; L169-F187 HydrophobicContact CD1-CE2 3.79Å; L169-F187 PolarHBondContact O-N 2.88Å; L170-F187 CarbonylContact C-O 3.54Å; L170-F187 WeakPolarHBondContact CA-O 3.36Å; L170-F187 HydrophobicContact CD2-CB 4.03Å; L170-F187 HydrophobicContact CD2-CD2 4.18Å; L170-F187 HydrophobicContact CD2-CG 4.49Å; V171-F187 PolarHBondContact N-O 3.32Å; F187-V189 HydrophobicContact CB-CG1 4.07Å
188E95Very high90.3Very high11 Ų1128.6 Ų28.65%0.05116%0.158CC..EExtended strand (participates in β ladder)trans-95119.7163.8-167.5175.1133.500109.1R4 Y6 I11 I12 F13 V171 R173R4-E188 IonicContact CZ-OE1 2.75Å; R4-E188 IonicContact NH1-OE1 2.77Å; R4-E188 PolarHBondContact NH1-OE1 3.38Å; R4-E188 IonicContact NH1-OE2 3.97Å; Y6-E188 WeakPolarHBondContact CE2-OE2 3.23Å; Y6-E188 PolarHBondContact OH-OE2 3.03Å; I11-E188 PolarHBondContact O-N 2.96Å; I12-E188 HydrophobicContact CG1-CB 4.27Å; F13-E188 PolarHBondContact N-O 2.9Å; V171-E188 CarbonylContact O-C 3.58Å; V171-E188 VanDerWaalsContact O-CA 3.31Å; V171-E188 WeakPolarHBondContact O-CA 3.29Å; R173-E188 HydrophobicContact CG-CG 3.89Å; R173-E188 WeakPolarHBondContact CG-OE1 3.35Å; R173-E188 PolarHBondContact NH1-O 3.35Å
189V94.9Very high92.2Very high1 Ų122.4 Ų22.41%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-120.7157.3-168.7-65.20000113.2F13 I40 L170 V171 K172 R173 F187 I194F13-V189 HydrophobicContact CD2-CG1 4.19Å; I40-V189 HydrophobicContact CD1-CG1 3.97Å; L170-V189 HydrophobicContact CB-CG2 4.29Å; L170-V189 HydrophobicContact CD2-CG1 4.04Å; V171-V189 PolarHBondContact O-N 2.83Å; K172-V189 CarbonylContact C-O 3.58Å; K172-V189 WeakPolarHBondContact CA-O 2.95Å; K172-V189 HydrophobicContact CG-CG2 4.06Å; R173-V189 PolarHBondContact N-O 3.16Å; R173-V189 VanDerWaalsContact NH1-N 3.18Å; R173-V189 PolarHBondContact NH1-O 2.86Å; R173-V189 VanDerWaalsContact NH2-C 3.29Å; F187-V189 HydrophobicContact CB-CG1 4.07Å; V189-I194 HydrophobicContact CB-CD1 4.29Å; V189-I194 HydrophobicContact CG2-CD1 3.58Å
190P93.6Very high93.7Very high10 Ų1023.4 Ų23.47%0.06512%0.116CC..  trans-62.6156.7176.8-14.324.9000110.8V192P190-V192 VanDerWaalsContact C-N 3.26Å; P190-V192 HydrophobicContact CB-CG1 4.35Å; P190-V192 PolarHBondContact O-N 3.06Å
191N93Very high94.7Very high88 Ų8823.1 Ų23.147%0.47112%0.115SC..SBendtrans-76.477.4175-172.116.8000111.8K172 R173K172-N191 PolarHBondContact NZ-OD1 2.84Å; R173-N191 WeakPolarHBondContact O-CB 3.48Å
192V93.2Very high95.1Very high55 Ų5520.2 Ų20.233%0.33311%0.105SC..SBendtrans-118.8170.8174.4-62.80000111.1L39 K172 P190 I194 A213L39-V192 HydrophobicContact CD1-CG2 3.67Å; K172-V192 WeakPolarHBondContact CE-O 3.49Å; K172-V192 PolarHBondContact NZ-O 3.18Å; K172-V192 VanDerWaalsContact NZ-O 3.09Å; P190-V192 VanDerWaalsContact C-N 3.26Å; P190-V192 HydrophobicContact CB-CG1 4.35Å; P190-V192 PolarHBondContact O-N 3.06Å; V192-I194 HydrophobicContact CG2-CD1 4.43Å; V192-I194 HydrophobicContact CG2-CG1 3.93Å; V192-I194 PolarHBondContact O-N 2.75Å; V192-A213 HydrophobicContact CG2-CB 4.1Å
193F94.3Very high95.1Very high74 Ų7423.2 Ų23.233%0.32512%0.121SC..  trans-83.3102.4178.8-165.1-82.2000110.2V195 Y201 A213 V214F193-V195 HydrophobicContact CD1-CG1 4.38Å; F193-V195 HydrophobicContact CE1-CG1 4.01Å; F193-Y201 HydrophobicContact CE1-CD1 4.32Å; F193-Y201 AromaticContact CE1-CD2 3.84Å; F193-Y201 HydrophobicContact CE1-CD2 3.84Å; F193-Y201 HydrophobicContact CE1-CE2 4.48Å; F193-Y201 AromaticContact CE1-CG 3.72Å; F193-Y201 HydrophobicContact CE1-CG 3.72Å; F193-Y201 HydrophobicContact CE2-CD2 4.37Å; F193-Y201 AromaticContact CZ-CD2 3.33Å; F193-Y201 HydrophobicContact CZ-CD2 3.33Å; F193-Y201 AromaticContact CZ-CE2 3.82Å; F193-Y201 HydrophobicContact CZ-CE2 3.82Å; F193-Y201 AromaticContact CZ-CG 3.74Å; F193-Y201 HydrophobicContact CZ-CG 3.74Å; F193-A213 WeakPolarHBondContact O-CA 3.5Å; F193-V214 HydrophobicContact CD1-CB 3.98Å; F193-V214 HydrophobicContact CD1-CG2 3.95Å; F193-V214 HydrophobicContact CE1-CG2 4.34Å; F193-V214 PolarHBondContact O-N 2.88Å
194I96Very high95.1Very high6 Ų624.5 Ų24.53%0.03113%0.125CC..EExtended strand (participates in β ladder)trans-97138.2-169.4-64.2177.9000111.2L39 M142 L170 V189 V192 I199 V211 C212L39-I194 HydrophobicContact CD1-CD1 4Å; L39-I194 HydrophobicContact CD1-CG1 3.8Å; M142-I194 HydrophobicContact SD-CB 4.4Å; M142-I194 HydrophobicContact SD-CD1 4.19Å; L170-I194 HydrophobicContact CD1-CD1 4.07Å; L170-I194 HydrophobicContact CD1-CG2 3.86Å; V189-I194 HydrophobicContact CB-CD1 4.29Å; V189-I194 HydrophobicContact CG2-CD1 3.58Å; V192-I194 HydrophobicContact CG2-CD1 4.43Å; V192-I194 HydrophobicContact CG2-CG1 3.93Å; V192-I194 PolarHBondContact O-N 2.75Å; I194-I199 HydrophobicContact CG2-CD1 3.88Å; I194-I199 WeakPolarHBondContact O-CG2 3.48Å; I194-V211 HydrophobicContact CG2-CG1 3.43Å; I194-V211 VanDerWaalsContact CG2-CG1 3.43Å; I194-C212 CarbonylContact C-O 3.6Å; I194-C212 VanDerWaalsContact CA-O 3.28Å; I194-C212 WeakPolarHBondContact CA-O 3.49Å
195V97.1Very high95.1Very high0 Ų024.2 Ų24.20%012%0.124CC..EExtended strand (participates in β ladder)trans-138.5172170.4-62.80000110.9I35 F193 F205 L208 C212 V214I35-V195 HydrophobicContact CD1-CG2 4.01Å; F193-V195 HydrophobicContact CD1-CG1 4.38Å; F193-V195 HydrophobicContact CE1-CG1 4.01Å; V195-F205 HydrophobicContact CB-CB 3.69Å; V195-F205 HydrophobicContact CB-CD2 4.33Å; V195-F205 HydrophobicContact CB-CG 4.08Å; V195-F205 HydrophobicContact CG1-CB 4.24Å; V195-F205 HydrophobicContact CG1-CD2 4.01Å; V195-F205 HydrophobicContact CG1-CG 4.27Å; V195-F205 HydrophobicContact CG2-CB 3.82Å; V195-F205 HydrophobicContact CG2-CD1 4.2Å; V195-F205 HydrophobicContact CG2-CD2 4.42Å; V195-F205 HydrophobicContact CG2-CG 3.92Å; V195-L208 HydrophobicContact CG2-CD1 4.15Å; V195-C212 HydrophobicContact CG2-CB 4.12Å; V195-C212 PolarHBondContact N-O 2.86Å; V195-C212 PolarHBondContact O-N 2.84Å; V195-V214 HydrophobicContact CB-CG2 3.97Å; V195-V214 HydrophobicContact CG1-CG2 3.42Å; V195-V214 VanDerWaalsContact CG1-CG2 3.42Å; V195-V214 HydrophobicContact CG2-CG2 3.31Å
196G97.5Very high95.1Very high0 Ų025.9 Ų25.90%013%0.13CC..BIsolated β-bridgetrans88.8170.2175.500000113.2G198 I199 F205 H210G196-G198 PolarHBondContact O-N 2.87Å; G196-G198 VanDerWaalsContact O-N 3.17Å; G196-I199 PolarHBondContact N-O 3.41Å; G196-I199 WeakPolarHBondContact O-CB 3.17Å; G196-I199 WeakPolarHBondContact O-CG1 3.34Å; G196-I199 PolarHBondContact O-N 2.71Å; G196-F205 WeakPolarHBondContact CA-O 3.21Å; G196-H210 CarbonylContact C-O 3.42Å; G196-H210 WeakPolarHBondContact CA-O 3.25Å
197Y97.9Very high95Very high9 Ų930.6 Ų30.64%0.03515%0.152CC..THydrogen-bonded Turntrans50.539.3-172-159.3-100.8000113V45 L49 K79 F80 D83 L169 L208 H210V45-Y197 HydrophobicContact CB-CE2 4.44Å; V45-Y197 HydrophobicContact CG1-CD1 4.15Å; V45-Y197 HydrophobicContact CG1-CE1 3.5Å; V45-Y197 VanDerWaalsContact CG1-CE1 3.5Å; V45-Y197 HydrophobicContact CG1-CE2 3.99Å; V45-Y197 VanDerWaalsContact CG1-CZ 3.4Å; V45-Y197 WeakPolarHBondContact CG1-OH 3.48Å; L49-Y197 WeakPolarHBondContact CD1-OH 3.44Å; K79-Y197 HydrophobicContact CB-CD1 4.43Å; K79-Y197 HydrophobicContact CB-CE1 4.39Å; F80-Y197 HydrophobicContact CB-CE1 4.22Å; D83-Y197 PolarHBondContact OD2-OH 3.09Å; L169-Y197 HydrophobicContact CD2-CD1 3.4Å; L169-Y197 HydrophobicContact CD2-CE1 3.72Å; L169-Y197 HydrophobicContact CD2-CG 4.48Å; Y197-L208 PolarHBondContact N-O 2.98Å; Y197-H210 PolarHBondContact N-O 3.07Å
198G96.5Very high95Very high0 Ų030.6 Ų30.60%015%0.152CC..THydrogen-bonded Turntrans100.1-23.317900000114.2G76 G196 R206G76-G198 CarbonylContact O-C 3.5Å; G196-G198 PolarHBondContact O-N 2.87Å; G196-G198 VanDerWaalsContact O-N 3.17Å; G198-R206 PolarHBondContact N-O 3.06Å; G198-R206 VanDerWaalsContact N-O 3.09Å; G198-R206 WeakPolarHBondContact O-CG 3.48Å; G198-R206 PolarHBondContact O-NH1 3.42Å
199I96.4Very high95Very high7 Ų732.7 Ų32.74%0.03617%0.167CC..BIsolated β-bridgetrans-75.8137.9176.6-51.2169.6000109.1D141 L170 I194 G196D141-I199 HydrophobicContact CB-CD1 4.38Å; D141-I199 HydrophobicContact CB-CG1 3.93Å; L170-I199 HydrophobicContact CD1-CD1 3.52Å; I194-I199 HydrophobicContact CG2-CD1 3.88Å; I194-I199 WeakPolarHBondContact O-CG2 3.48Å; G196-I199 PolarHBondContact N-O 3.41Å; G196-I199 WeakPolarHBondContact O-CB 3.17Å; G196-I199 WeakPolarHBondContact O-CG1 3.34Å; G196-I199 PolarHBondContact O-N 2.71Å
200D94.8Very high95.1Very high50 Ų5033.8 Ų33.827%0.26717%0.172SC..  trans-117.3173.6-174.874-70000115.3N202 D203 Q204 R206D200-N202 PolarHBondContact OD2-N 3.34Å; D200-D203 WeakPolarHBondContact OD2-CA 3.35Å; D200-D203 PolarHBondContact OD2-N 3.14Å; D200-Q204 WeakPolarHBondContact CA-O 3.48Å; D200-Q204 VanDerWaalsContact CB-O 3.25Å; D200-Q204 WeakPolarHBondContact CB-O 3.33Å; D200-R206 HydrophobicContact CB-CG 3.61Å; D200-R206 IonicContact OD1-CZ 3.84Å; D200-R206 IonicContact OD1-NH1 2.88Å; D200-R206 PolarHBondContact OD1-NH1 2.88Å; D200-R206 IonicContact OD1-NH2 2.82Å; D200-R206 PolarHBondContact OD1-NH2 3.05Å; D200-R206 IonicContact OD2-CZ 2.75Å; D200-R206 IonicContact OD2-NH2 2.86Å; D200-R206 PolarHBondContact OD2-NH2 3.42Å
201Y93.2Very high95.4Very high28 Ų2833.3 Ų33.311%0.1117%0.169CC..BIsolated β-bridgetrans-134.4111.5154.1178.5-135.8000109.1F193 D203 Q204 F205 K219 F222 L223F193-Y201 HydrophobicContact CE1-CD1 4.32Å; F193-Y201 AromaticContact CE1-CD2 3.84Å; F193-Y201 HydrophobicContact CE1-CD2 3.84Å; F193-Y201 HydrophobicContact CE1-CE2 4.48Å; F193-Y201 AromaticContact CE1-CG 3.72Å; F193-Y201 HydrophobicContact CE1-CG 3.72Å; F193-Y201 HydrophobicContact CE2-CD2 4.37Å; F193-Y201 AromaticContact CZ-CD2 3.33Å; F193-Y201 HydrophobicContact CZ-CD2 3.33Å; F193-Y201 AromaticContact CZ-CE2 3.82Å; F193-Y201 HydrophobicContact CZ-CE2 3.82Å; F193-Y201 AromaticContact CZ-CG 3.74Å; F193-Y201 HydrophobicContact CZ-CG 3.74Å; Y201-D203 VanDerWaalsContact C-N 3.32Å; Y201-D203 PolarHBondContact O-N 3.22Å; Y201-Q204 PolarHBondContact N-O 2.87Å; Y201-Q204 VanDerWaalsContact N-O 3.16Å; Y201-Q204 VanDerWaalsContact O-CB 3.29Å; Y201-Q204 WeakPolarHBondContact O-CB 3.38Å; Y201-Q204 WeakPolarHBondContact O-CG 3.39Å; Y201-Q204 PolarHBondContact O-N 3.28Å; Y201-F205 HydrophobicContact CD1-CE2 4.14Å; Y201-K219 VanDerWaalsContact CE1-O 3.28Å; Y201-K219 WeakPolarHBondContact CE1-O 3.34Å; Y201-K219 PolarHBondContact OH-O 3.27Å; Y201-F222 HydrophobicContact CD1-CB 3.59Å; Y201-F222 HydrophobicContact CE1-CB 3.63Å; Y201-L223 VanDerWaalsContact OH-CA 3.29Å; Y201-L223 WeakPolarHBondContact OH-CA 3.28Å; Y201-L223 WeakPolarHBondContact OH-CB 2.93Å; Y201-L223 VanDerWaalsContact OH-CD1 3.28Å; Y201-L223 WeakPolarHBondContact OH-CD1 3.35Å; Y201-L223 PolarHBondContact OH-N 3.46Å
202N91Very high95.6Very high51 Ų5129.1 Ų29.127%0.27315%0.146SC..THydrogen-bonded Turntrans51.151.2-175.5-60.5-35.1000112D200 Q204 F222 L223 G224D200-N202 PolarHBondContact OD2-N 3.34Å; N202-Q204 PolarHBondContact O-N 3.16Å; N202-Q204 VanDerWaalsContact O-N 3.11Å; N202-F222 PolarHBondContact ND2-O 3.13Å; N202-L223 WeakPolarHBondContact ND2-CA 3.26Å; N202-G224 PolarHBondContact ND2-N 2.62Å
203D92Very high95.8Very high66 Ų6626.8 Ų26.835%0.35313%0.133SC..THydrogen-bonded Turntrans62.19.1-177.4-82.2-37.2000116K75 D200 Y201 R206K75-D203 IonicContact NZ-OD1 3.05Å; K75-D203 PolarHBondContact NZ-OD1 3.36Å; K75-D203 IonicContact NZ-OD2 2.93Å; K75-D203 PolarHBondContact NZ-OD2 3.34Å; D200-D203 WeakPolarHBondContact OD2-CA 3.35Å; D200-D203 PolarHBondContact OD2-N 3.14Å; Y201-D203 VanDerWaalsContact C-N 3.32Å; Y201-D203 PolarHBondContact O-N 3.22Å; D203-R206 IonicContact OD1-CZ 3.74Å; D203-R206 IonicContact OD1-NE 3.42Å; D203-R206 PolarHBondContact OD1-NE 3.11Å; D203-R206 IonicContact OD1-NH2 3.98Å; D203-R206 PolarHBondContact OD1-NH2 3.32Å
204Q94.3Very high95.8Very high52 Ų5223.5 Ų23.524%0.24312%0.119CC..BIsolated β-bridgetrans-93.6167173.6-50.9-60.7-54.100112.4Y31 D200 Y201 N202 R206 F222Y31-Q204 HydrophobicContact CE1-CB 4.44Å; D200-Q204 WeakPolarHBondContact CA-O 3.48Å; D200-Q204 VanDerWaalsContact CB-O 3.25Å; D200-Q204 WeakPolarHBondContact CB-O 3.33Å; Y201-Q204 PolarHBondContact N-O 2.87Å; Y201-Q204 VanDerWaalsContact N-O 3.16Å; Y201-Q204 VanDerWaalsContact O-CB 3.29Å; Y201-Q204 WeakPolarHBondContact O-CB 3.38Å; Y201-Q204 WeakPolarHBondContact O-CG 3.39Å; Y201-Q204 PolarHBondContact O-N 3.28Å; N202-Q204 PolarHBondContact O-N 3.16Å; N202-Q204 VanDerWaalsContact O-N 3.11Å; Q204-R206 PolarHBondContact O-N 2.68Å; Q204-F222 HydrophobicContact CB-CD1 4.24Å; Q204-F222 HydrophobicContact CG-CB 4.46Å; Q204-F222 HydrophobicContact CG-CD1 3.56Å; Q204-F222 HydrophobicContact CG-CE1 4.03Å; Q204-F222 HydrophobicContact CG-CG 4.21Å
205F96.1Very high95.8Very high0 Ų025.1 Ų25.10%013%0.128CC..SBendtrans68.2-7.8172.2-51.2-80.9000117.2Y31 H34 I35 V195 G196 Y201 E207 L208 V214 F222Y31-F205 AromaticContact CD1-CD1 3.4Å; Y31-F205 HydrophobicContact CD1-CD1 3.4Å; Y31-F205 VanDerWaalsContact CD1-CD1 3.4Å; Y31-F205 AromaticContact CD1-CE1 3.22Å; Y31-F205 HydrophobicContact CD1-CE1 3.22Å; Y31-F205 HydrophobicContact CD1-CG 4.35Å; Y31-F205 HydrophobicContact CD1-CZ 4.04Å; Y31-F205 HydrophobicContact CD2-CD1 4.13Å; Y31-F205 AromaticContact CE1-CD1 3.81Å; Y31-F205 HydrophobicContact CE1-CD1 3.81Å; Y31-F205 AromaticContact CE1-CE1 3.89Å; Y31-F205 HydrophobicContact CE1-CE1 3.89Å; Y31-F205 HydrophobicContact CE1-CG 4.34Å; Y31-F205 HydrophobicContact CE1-CZ 4.44Å; Y31-F205 HydrophobicContact CE2-CD1 4.49Å; Y31-F205 AromaticContact CG-CD1 3.57Å; Y31-F205 HydrophobicContact CG-CD1 3.57Å; Y31-F205 AromaticContact CG-CE1 3.67Å; Y31-F205 HydrophobicContact CG-CE1 3.67Å; H34-F205 HydrophobicContact CB-CE1 4.21Å; H34-F205 HydrophobicContact CB-CZ 4.32Å; I35-F205 HydrophobicContact CD1-CD1 4.27Å; I35-F205 HydrophobicContact CD1-CE1 4.23Å; V195-F205 HydrophobicContact CB-CB 3.69Å; V195-F205 HydrophobicContact CB-CD2 4.33Å; V195-F205 HydrophobicContact CB-CG 4.08Å; V195-F205 HydrophobicContact CG1-CB 4.24Å; V195-F205 HydrophobicContact CG1-CD2 4.01Å; V195-F205 HydrophobicContact CG1-CG 4.27Å; V195-F205 HydrophobicContact CG2-CB 3.82Å; V195-F205 HydrophobicContact CG2-CD1 4.2Å; V195-F205 HydrophobicContact CG2-CD2 4.42Å; V195-F205 HydrophobicContact CG2-CG 3.92Å; G196-F205 WeakPolarHBondContact CA-O 3.21Å; Y201-F205 HydrophobicContact CD1-CE2 4.14Å; F205-E207 VanDerWaalsContact CA-OE2 3.28Å; F205-E207 WeakPolarHBondContact CA-OE2 3.33Å; F205-E207 PolarHBondContact N-OE2 2.75Å; F205-E207 PolarHBondContact O-N 3.5Å; F205-E207 VanDerWaalsContact O-N 3.07Å; F205-L208 HydrophobicContact CB-CD1 4.02Å; F205-L208 HydrophobicContact CB-CG 4.34Å; F205-L208 HydrophobicContact CD1-CD1 3.91Å; F205-L208 HydrophobicContact CG-CD1 4.44Å; F205-L208 WeakPolarHBondContact O-CB 3.33Å; F205-L208 WeakPolarHBondContact O-CG 3.45Å; F205-L208 PolarHBondContact O-N 3.41Å; F205-V214 HydrophobicContact CZ-CG1 4.49Å; F205-F222 HydrophobicContact CE1-CD2 4.47Å; F205-F222 HydrophobicContact CE1-CE2 4.1Å; F205-F222 HydrophobicContact CE2-CB 4.35Å; F205-F222 AromaticContact CE2-CD2 3.65Å; F205-F222 HydrophobicContact CE2-CD2 3.65Å; F205-F222 HydrophobicContact CE2-CE2 4.05Å; F205-F222 HydrophobicContact CE2-CG 4.01Å; F205-F222 AromaticContact CZ-CD2 3.35Å; F205-F222 HydrophobicContact CZ-CD2 3.35Å; F205-F222 AromaticContact CZ-CE2 3.36Å; F205-F222 HydrophobicContact CZ-CE2 3.36Å; F205-F222 HydrophobicContact CZ-CG 4.14Å; F205-F222 HydrophobicContact CZ-CZ 4.16Å
206R95.4Very high95.7Very high36 Ų3629.8 Ų29.814%0.13615%0.152CC..THydrogen-bonded Turntrans-53.7-34.5-179-63.8-165.2-171-75.3-3.2112.4K79 G198 D200 D203 Q204 L208K79-R206 WeakPolarHBondContact CE-O 3.19Å; K79-R206 PolarHBondContact NZ-O 3.11Å; G198-R206 PolarHBondContact N-O 3.06Å; G198-R206 VanDerWaalsContact N-O 3.09Å; G198-R206 WeakPolarHBondContact O-CG 3.48Å; G198-R206 PolarHBondContact O-NH1 3.42Å; D200-R206 HydrophobicContact CB-CG 3.61Å; D200-R206 IonicContact OD1-CZ 3.84Å; D200-R206 IonicContact OD1-NH1 2.88Å; D200-R206 PolarHBondContact OD1-NH1 2.88Å; D200-R206 IonicContact OD1-NH2 2.82Å; D200-R206 PolarHBondContact OD1-NH2 3.05Å; D200-R206 IonicContact OD2-CZ 2.75Å; D200-R206 IonicContact OD2-NH2 2.86Å; D200-R206 PolarHBondContact OD2-NH2 3.42Å; D203-R206 IonicContact OD1-CZ 3.74Å; D203-R206 IonicContact OD1-NE 3.42Å; D203-R206 PolarHBondContact OD1-NE 3.11Å; D203-R206 IonicContact OD1-NH2 3.98Å; D203-R206 PolarHBondContact OD1-NH2 3.32Å; Q204-R206 PolarHBondContact O-N 2.68Å; R206-L208 VanDerWaalsContact C-N 3.27Å; R206-L208 PolarHBondContact O-N 2.93Å
207E95Very high95.6Very high98 Ų9833.5 Ų33.546%0.45817%0.17SC..THydrogen-bonded Turntrans-68-22-178.668.1-88.3-126.900113.5Y31 K79 F205Y31-E207 HydrophobicContact CE2-CG 4Å; Y31-E207 WeakPolarHBondContact CE2-OE1 3.39Å; Y31-E207 VanDerWaalsContact CZ-OE1 3.27Å; Y31-E207 PolarHBondContact OH-OE1 3.36Å; Y31-E207 PolarHBondContact OH-OE2 3.18Å; K79-E207 PolarHBondContact NZ-O 3.35Å; K79-E207 VanDerWaalsContact NZ-O 3.14Å; F205-E207 VanDerWaalsContact CA-OE2 3.28Å; F205-E207 WeakPolarHBondContact CA-OE2 3.33Å; F205-E207 PolarHBondContact N-OE2 2.75Å; F205-E207 PolarHBondContact O-N 3.5Å; F205-E207 VanDerWaalsContact O-N 3.07Å
208L97.1Very high95.4Very high0 Ų033.1 Ų33.10%017%0.168CC..  trans-53.9133.5-179.6-68.2-178000110.7L27 P28 Y31 I35 K79 V195 Y197 F205 R206 H210 C212L27-L208 HydrophobicContact CD2-CD2 4.08Å; P28-L208 HydrophobicContact CG-CD2 3.95Å; Y31-L208 HydrophobicContact CD2-CD2 3.77Å; Y31-L208 HydrophobicContact CD2-CG 4.25Å; Y31-L208 HydrophobicContact CG-CD2 4.49Å; I35-L208 HydrophobicContact CD1-CD1 3.79Å; I35-L208 HydrophobicContact CG1-CD1 4.19Å; K79-L208 PolarHBondContact NZ-O 3.43Å; V195-L208 HydrophobicContact CG2-CD1 4.15Å; Y197-L208 PolarHBondContact N-O 2.98Å; F205-L208 HydrophobicContact CB-CD1 4.02Å; F205-L208 HydrophobicContact CB-CG 4.34Å; F205-L208 HydrophobicContact CD1-CD1 3.91Å; F205-L208 HydrophobicContact CG-CD1 4.44Å; F205-L208 WeakPolarHBondContact O-CB 3.33Å; F205-L208 WeakPolarHBondContact O-CG 3.45Å; F205-L208 PolarHBondContact O-N 3.41Å; R206-L208 VanDerWaalsContact C-N 3.27Å; R206-L208 PolarHBondContact O-N 2.93Å; L208-H210 PolarHBondContact O-N 3.28Å; L208-C212 HydrophobicContact CD1-CB 4.38Å
209P95.4Very high95.2Very high56 Ų5636.4 Ų36.436%0.36418%0.183SC..SBendtrans-79.2-0.8-175.932-36000113.1G42G42-P209 WeakPolarHBondContact CA-O 3.38Å
210H97.9Very high95.1Very high23 Ų2344.2 Ų44.211%0.10621%0.212CC..SBendtrans-130.2157.6-172.6-51.6-32.5000109.6F25 I38 G42 G196 Y197 L208F25-H210 AromaticContact CD1-CD2 3.89Å; F25-H210 AromaticContact CD1-NE2 3.38Å; F25-H210 WeakPolarHBondContact CD1-NE2 3.44Å; F25-H210 AromaticContact CG-NE2 3.97Å; I38-H210 HydrophobicContact CD1-CB 4.36Å; I38-H210 HydrophobicContact CG2-CB 3.88Å; G42-H210 PolarHBondContact N-ND1 2.75Å; G196-H210 CarbonylContact C-O 3.42Å; G196-H210 WeakPolarHBondContact CA-O 3.25Å; Y197-H210 PolarHBondContact N-O 3.07Å; L208-H210 PolarHBondContact O-N 3.28Å
211V98.3Very high95Very high0 Ų045 Ų450%021%0.214CC..EExtended strand (participates in β ladder)trans-83.1119.1166.3-178.10000107L39 I40 V45 L169 L170 I194L39-V211 HydrophobicContact CB-CG1 4.44Å; L39-V211 WeakPolarHBondContact CB-O 3.36Å; L39-V211 PolarHBondContact N-O 3.48Å; I40-V211 HydrophobicContact CB-CB 3.88Å; I40-V211 HydrophobicContact CB-CG2 4.16Å; I40-V211 HydrophobicContact CD1-CB 4.38Å; I40-V211 HydrophobicContact CD1-CG1 4.45Å; I40-V211 HydrophobicContact CD1-CG2 4.43Å; I40-V211 HydrophobicContact CG1-CB 4.1Å; I40-V211 HydrophobicContact CG1-CG1 4.41Å; I40-V211 PolarHBondContact N-O 3.22Å; I40-V211 PolarHBondContact O-N 3.05Å; V45-V211 HydrophobicContact CG2-CG2 4.22Å; L169-V211 HydrophobicContact CD2-CG2 4.5Å; L170-V211 HydrophobicContact CD1-CG1 3.77Å; L170-V211 HydrophobicContact CD2-CG1 4.43Å; I194-V211 HydrophobicContact CG2-CG1 3.43Å; I194-V211 VanDerWaalsContact CG2-CG1 3.43Å
212C98.1Very high94.9Very high0 Ų044.3 Ų44.30%021%0.211CC..EExtended strand (participates in β ladder)trans-124.7156.3-169.7-61.40000111.2I35 T37 I38 I194 V195 L208I35-C212 HydrophobicContact CD1-CB 3.93Å; I35-C212 HydrophobicContact CG1-CB 4.44Å; I35-C212 HydrophobicContact CG2-CB 3.84Å; T37-C212 CarbonylContact O-C 3.56Å; T37-C212 WeakPolarHBondContact O-CA 3.28Å; I38-C212 WeakPolarHBondContact CD1-SG 3.34Å; I194-C212 CarbonylContact C-O 3.6Å; I194-C212 VanDerWaalsContact CA-O 3.28Å; I194-C212 WeakPolarHBondContact CA-O 3.49Å; V195-C212 HydrophobicContact CG2-CB 4.12Å; V195-C212 PolarHBondContact N-O 2.86Å; V195-C212 PolarHBondContact O-N 2.84Å; L208-C212 HydrophobicContact CD1-CB 4.38Å
213A96.6Very high94.8Very high6 Ų647.9 Ų47.95%0.0523%0.23CC..EExtended strand (participates in β ladder)trans-103.4132.5167.200000110.8S36 T37 L39 V192 F193S36-A213 PolarHBondContact N-O 3.07Å; S36-A213 VanDerWaalsContact OG-C 3.31Å; S36-A213 WeakPolarHBondContact OG-CB 3.28Å; S36-A213 PolarHBondContact OG-O 3.23Å; T37-A213 PolarHBondContact O-N 3.29Å; L39-A213 HydrophobicContact CD1-CB 4.16Å; L39-A213 HydrophobicContact CG-CB 4.25Å; V192-A213 HydrophobicContact CG2-CB 4.1Å; F193-A213 WeakPolarHBondContact O-CA 3.5Å
214V95.4Very high94.2Very high6 Ų647.9 Ų47.94%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-86.4135179.1-1710000110.6H34 I35 F193 V195 F205 K219H34-V214 WeakPolarHBondContact O-CA 3.49Å; I35-V214 HydrophobicContact CD1-CG2 4.49Å; F193-V214 HydrophobicContact CD1-CB 3.98Å; F193-V214 HydrophobicContact CD1-CG2 3.95Å; F193-V214 HydrophobicContact CE1-CG2 4.34Å; F193-V214 PolarHBondContact O-N 2.88Å; V195-V214 HydrophobicContact CB-CG2 3.97Å; V195-V214 HydrophobicContact CG1-CG2 3.42Å; V195-V214 VanDerWaalsContact CG1-CG2 3.42Å; V195-V214 HydrophobicContact CG2-CG2 3.31Å; F205-V214 HydrophobicContact CZ-CG1 4.49Å; V214-K219 HydrophobicContact CG1-CG 4.25Å
215N94.9Very high93.3Very high40 Ų4050.8 Ų50.821%0.21426%0.257CS..PPolyproline II helixtrans-77.2171.4173.168.524.4000112K33 H34 E217 G218 K219K33-N215 PolarHBondContact O-ND2 3.31Å; H34-N215 PolarHBondContact O-N 2.77Å; H34-N215 PolarHBondContact O-OD1 3.32Å; N215-E217 PolarHBondContact O-N 3.19Å; N215-E217 WeakPolarHBondContact OD1-CB 3.29Å; N215-E217 PolarHBondContact OD1-N 3.45Å; N215-G218 PolarHBondContact O-N 3.03Å; N215-G218 PolarHBondContact OD1-N 3.17Å; N215-K219 PolarHBondContact O-N 3.04Å
216D95.5Very high91.8Very high97 Ų9755.6 Ų55.652%0.51931%0.307SS..Hα-helixtrans-68.7-23.5-176.6-63.9-25.8000113.5K219 R220D216-K219 IonicContact OD1-NZ 2.96Å; D216-K219 PolarHBondContact OD1-NZ 2.86Å; D216-R220 WeakPolarHBondContact O-CG 3.47Å; D216-R220 PolarHBondContact O-N 3.3Å; D216-R220 VanDerWaalsContact O-N 3.11Å; D216-R220 PolarHBondContact O-NH1 2.87Å
217E95.2Very high91.6Very high79 Ų7956.6 Ų56.637%0.36932%0.316SS..Hα-helixtrans-65.8-47.4171.7-174.1-179156.900111K33 N215 K219 R220 E221K33-E217 IonicContact NZ-OE1 2.78Å; K33-E217 PolarHBondContact NZ-OE1 2.96Å; N215-E217 PolarHBondContact O-N 3.19Å; N215-E217 WeakPolarHBondContact OD1-CB 3.29Å; N215-E217 PolarHBondContact OD1-N 3.45Å; E217-K219 PolarHBondContact O-N 3.45Å; E217-R220 PolarHBondContact O-N 3.44Å; E217-E221 WeakPolarHBondContact O-CB 3.5Å; E217-E221 PolarHBondContact O-N 2.71Å
218G93.7Very high91.5Very high0 Ų054.4 Ų54.40%031%0.308CS..Hα-helixtrans-61.3-43.317600000112.4H34 N215 R220 E221 F222H34-G218 VanDerWaalsContact CD2-CA 3.47Å; H34-G218 WeakPolarHBondContact CD2-CA 3.48Å; N215-G218 PolarHBondContact O-N 3.03Å; N215-G218 PolarHBondContact OD1-N 3.17Å; G218-R220 VanDerWaalsContact C-N 3.3Å; G218-R220 PolarHBondContact O-N 3.07Å; G218-E221 PolarHBondContact O-N 2.78Å; G218-F222 WeakPolarHBondContact O-CD2 3.29Å; G218-F222 PolarHBondContact O-N 2.97Å; G218-F222 VanDerWaalsContact O-N 3.07Å
219K93.5Very high91.2Very high70 Ų7057.4 Ų57.430%0.30433%0.325SS..Hα-helixtrans-57.5-43.7175-68.7175.9-165.3157.50111.8Y201 V214 N215 D216 E217 L223Y201-K219 VanDerWaalsContact CE1-O 3.28Å; Y201-K219 WeakPolarHBondContact CE1-O 3.34Å; Y201-K219 PolarHBondContact OH-O 3.27Å; V214-K219 HydrophobicContact CG1-CG 4.25Å; N215-K219 PolarHBondContact O-N 3.04Å; D216-K219 IonicContact OD1-NZ 2.96Å; D216-K219 PolarHBondContact OD1-NZ 2.86Å; E217-K219 PolarHBondContact O-N 3.45Å; K219-L223 WeakPolarHBondContact O-CB 3.47Å; K219-L223 PolarHBondContact O-N 2.83Å
220R93.9Very high90.9Very high170 Ų17057.5 Ų57.564%0.64232%0.323SS*.Hα-helixtrans-69.4-44.8177.4-72.2-174-57.9-931.3112.3D216 E217 G218 F222D216-R220 WeakPolarHBondContact O-CG 3.47Å; D216-R220 PolarHBondContact O-N 3.3Å; D216-R220 VanDerWaalsContact O-N 3.11Å; D216-R220 PolarHBondContact O-NH1 2.87Å; E217-R220 PolarHBondContact O-N 3.44Å; G218-R220 VanDerWaalsContact C-N 3.3Å; G218-R220 PolarHBondContact O-N 3.07Å; R220-F222 VanDerWaalsContact C-N 3.34Å; R220-F222 PolarHBondContact O-N 2.83Å
221E92.5Very high90.5Very high67 Ų6759.7 Ų59.731%0.31334%0.337SS..Hα-helixtrans-67.4-35-172.6-175.3170.2153.100112.5K33 H34 E217 G218 K225K33-E221 IonicContact NZ-OE2 2.87Å; K33-E221 PolarHBondContact NZ-OE2 3.05Å; H34-E221 IonicContact CD2-OE2 3.78Å; H34-E221 IonicContact CE1-OE1 3.74Å; H34-E221 IonicContact CE1-OE2 3.52Å; H34-E221 IonicContact NE2-OE1 3.68Å; H34-E221 IonicContact NE2-OE2 2.71Å; H34-E221 PolarHBondContact NE2-OE2 3.06Å; E217-E221 WeakPolarHBondContact O-CB 3.5Å; E217-E221 PolarHBondContact O-N 2.71Å; G218-E221 PolarHBondContact O-N 2.78Å; E221-K225 VanDerWaalsContact O-CD 3.26Å; E221-K225 WeakPolarHBondContact O-CD 3.1Å; E221-K225 WeakPolarHBondContact O-CE 3.47Å; E221-K225 PolarHBondContact O-NZ 3.15Å
222F90.5Very high90Very high14 Ų1463.7 Ų63.76%0.06136%0.359CS..Hα-helixtrans-102.42.9-176.6-63.7-75.8000114.2Y31 H34 Y201 N202 Q204 F205 G218 R220 G224 K225Y31-F222 HydrophobicContact CD1-CE2 4.41Å; Y31-F222 HydrophobicContact CD1-CZ 4.01Å; Y31-F222 HydrophobicContact CE1-CE1 4.37Å; Y31-F222 AromaticContact CE1-CZ 3.98Å; Y31-F222 HydrophobicContact CE1-CZ 3.98Å; H34-F222 AromaticContact CE1-CE2 3.54Å; H34-F222 AromaticContact CE1-CZ 3.88Å; H34-F222 AromaticContact CG-CE2 3.87Å; H34-F222 AromaticContact ND1-CE2 3.54Å; H34-F222 AromaticContact NE2-CE2 3.91Å; Y201-F222 HydrophobicContact CD1-CB 3.59Å; Y201-F222 HydrophobicContact CE1-CB 3.63Å; N202-F222 PolarHBondContact ND2-O 3.13Å; Q204-F222 HydrophobicContact CB-CD1 4.24Å; Q204-F222 HydrophobicContact CG-CB 4.46Å; Q204-F222 HydrophobicContact CG-CD1 3.56Å; Q204-F222 HydrophobicContact CG-CE1 4.03Å; Q204-F222 HydrophobicContact CG-CG 4.21Å; F205-F222 HydrophobicContact CE1-CD2 4.47Å; F205-F222 HydrophobicContact CE1-CE2 4.1Å; F205-F222 HydrophobicContact CE2-CB 4.35Å; F205-F222 AromaticContact CE2-CD2 3.65Å; F205-F222 HydrophobicContact CE2-CD2 3.65Å; F205-F222 HydrophobicContact CE2-CE2 4.05Å; F205-F222 HydrophobicContact CE2-CG 4.01Å; F205-F222 AromaticContact CZ-CD2 3.35Å; F205-F222 HydrophobicContact CZ-CD2 3.35Å; F205-F222 AromaticContact CZ-CE2 3.36Å; F205-F222 HydrophobicContact CZ-CE2 3.36Å; F205-F222 HydrophobicContact CZ-CG 4.14Å; F205-F222 HydrophobicContact CZ-CZ 4.16Å; G218-F222 WeakPolarHBondContact O-CD2 3.29Å; G218-F222 PolarHBondContact O-N 2.97Å; G218-F222 VanDerWaalsContact O-N 3.07Å; R220-F222 VanDerWaalsContact C-N 3.34Å; R220-F222 PolarHBondContact O-N 2.83Å; F222-G224 PolarHBondContact O-N 3.48Å; F222-K225 HydrophobicContact CD1-CD 4.01Å; F222-K225 PolarHBondContact O-N 3.27Å
223L88.8Confident89.4Confident126 Ų12668.2 Ų68.266%0.6639%0.385SS*.THydrogen-bonded Turntrans-60119.1173.3-173.363.5000110.2Y201 N202 K219Y201-L223 VanDerWaalsContact OH-CA 3.29Å; Y201-L223 WeakPolarHBondContact OH-CA 3.28Å; Y201-L223 WeakPolarHBondContact OH-CB 2.93Å; Y201-L223 VanDerWaalsContact OH-CD1 3.28Å; Y201-L223 WeakPolarHBondContact OH-CD1 3.35Å; Y201-L223 PolarHBondContact OH-N 3.46Å; N202-L223 WeakPolarHBondContact ND2-CA 3.26Å; K219-L223 WeakPolarHBondContact O-CB 3.47Å; K219-L223 PolarHBondContact O-N 2.83Å
224G80.6Confident88.8Confident66 Ų6673 Ų7368%0.6841%0.411SS*.THydrogen-bonded Turntrans76.613.6177.400000115.7N202 F222 G226N202-G224 PolarHBondContact ND2-N 2.62Å; F222-G224 PolarHBondContact O-N 3.48Å; G224-G226 VanDerWaalsContact C-N 3.31Å; G224-G226 PolarHBondContact O-N 3.43Å
225K74.7Confident88.3Confident112 Ų11278.6 Ų78.649%0.48744%0.442SS..  trans-90.625.3178.2-70.6-167.5175.9159.90114.6E221 F222E221-K225 VanDerWaalsContact O-CD 3.26Å; E221-K225 WeakPolarHBondContact O-CD 3.1Å; E221-K225 WeakPolarHBondContact O-CE 3.47Å; E221-K225 PolarHBondContact O-NZ 3.15Å; F222-K225 HydrophobicContact CD1-CD 4.01Å; F222-K225 PolarHBondContact O-N 3.27Å
226G65.5Low87.7Confident102 Ų10282.1 Ų82.1100%1.05246%0.462SS*.  trans-102.30-178.400000114G224G224-G226 VanDerWaalsContact C-N 3.31Å; G224-G226 PolarHBondContact O-N 3.43Å

Retrieved 226 of 226 residues in 309.6 ms (Link to these results)

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