A0A087XAZ0_POEFO Loading...

tRNA-specific adenosine deaminase 1

Specifically deaminates adenosine-37 to inosine in tRNA-Ala.

AlphaFold DB , UniProt , Accession A0A087XAZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 472 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
1M77.1Confident95.6Very high206 Ų20655.3 Ų55.3100%1.01528%0.279SS*.  0153.30-172.3179.7-72.200107.8
2I91.8Very high95.9Very high25 Ų2551.3 Ų51.313%0.12826%0.258CS..  trans-79.7124.8176.1-61.2169.7000108.7V7 I39 M51 L126 T298 L337I2-V7 HydrophobicContact CG2-CG2 3.91Å; I2-I39 HydrophobicContact CD1-CD1 3.72Å; I2-M51 HydrophobicContact CG2-SD 4.3Å; I2-L126 HydrophobicContact CD1-CD1 4.32Å; I2-L126 HydrophobicContact CG2-CD1 3.8Å; I2-T298 HydrophobicContact CD1-CG2 4.49Å; I2-L337 HydrophobicContact CG2-CD1 4.38Å
3N95.6Very high96.1Very high85 Ų8552.1 Ų52.146%0.45526%0.261SS..  trans-95.6129.3173.6-175.7-30000110.2D5 E6 V7N3-D5 PolarHBondContact OD1-N 3.35Å; N3-E6 HydrophobicContact CB-CB 3.88Å; N3-V7 WeakPolarHBondContact O-CG2 3.23Å; N3-V7 PolarHBondContact O-N 2.76Å
4A97.9Very high96.3Very high12 Ų1252.9 Ų52.910%0.09926%0.259CS..Hα-helixtrans-66.8-35.9-178.100000113.2A8 V300 L337 Q338A4-A8 WeakPolarHBondContact O-CB 3.42Å; A4-A8 PolarHBondContact O-N 2.78Å; A4-V300 HydrophobicContact CB-CG1 3.9Å; A4-L337 HydrophobicContact CB-CB 4.21Å; A4-Q338 WeakPolarHBondContact CB-O 3.17Å
5D98.4Very high96.4Very high49 Ų4949.7 Ų49.726%0.26224%0.243SC..Hα-helixtrans-77.1-35.5-178.2-71-9.1000111.6N3 A8 E9 S339 S340 L341N3-D5 PolarHBondContact OD1-N 3.35Å; D5-A8 PolarHBondContact O-N 3.04Å; D5-E9 VanDerWaalsContact O-CB 3.31Å; D5-E9 WeakPolarHBondContact O-CB 3.14Å; D5-E9 PolarHBondContact O-N 3.33Å; D5-S339 WeakPolarHBondContact OD1-CA 3.46Å; D5-S339 WeakPolarHBondContact OD1-CB 3.45Å; D5-S339 PolarHBondContact OD1-OG 2.94Å; D5-S340 VanDerWaalsContact CG-OG 3.3Å; D5-S340 PolarHBondContact OD1-N 3.1Å; D5-S340 PolarHBondContact OD1-OG 3.09Å; D5-S340 WeakPolarHBondContact OD2-CB 3.26Å; D5-S340 PolarHBondContact OD2-OG 3.36Å; D5-L341 HydrophobicContact CB-CD1 4.09Å; D5-L341 HydrophobicContact CB-CG 4.07Å; D5-L341 WeakPolarHBondContact O-CD1 3.37Å
6E97.9Very high96.5Very high92 Ų9254.3 Ų54.343%0.4326%0.257SS..Hα-helixtrans-60.3-46.4170.1-173-173.1175.300111.1N3 A8 E9 L10 M51N3-E6 HydrophobicContact CB-CB 3.88Å; E6-A8 PolarHBondContact O-N 2.77Å; E6-E9 PolarHBondContact O-N 2.8Å; E6-L10 HydrophobicContact CG-CD1 4.38Å; E6-L10 WeakPolarHBondContact O-CB 3.36Å; E6-L10 VanDerWaalsContact O-CG 3.27Å; E6-L10 WeakPolarHBondContact O-CG 3.23Å; E6-L10 PolarHBondContact O-N 3.5Å; E6-M51 HydrophobicContact CB-CE 4.37Å; E6-M51 HydrophobicContact CG-CE 3.79Å; E6-M51 VanDerWaalsContact OE1-CE 3.32Å; E6-M51 WeakPolarHBondContact OE1-CE 3.48Å; E6-M51 WeakPolarHBondContact OE2-CE 3.31Å
7V98.6Very high96.6Very high0 Ų060.6 Ų60.60%028%0.278CS..Hα-helixtrans-60.2-45.8174.8166.40000111.6I2 N3 C11 L37 M51 L126 F128 V300I2-V7 HydrophobicContact CG2-CG2 3.91Å; N3-V7 WeakPolarHBondContact O-CG2 3.23Å; N3-V7 PolarHBondContact O-N 2.76Å; V7-C11 PolarHBondContact O-N 2.92Å; V7-C11 PolarHBondContact O-SG 3.12Å; V7-L37 HydrophobicContact CG1-CD1 4.35Å; V7-L37 HydrophobicContact CG1-CD2 4.09Å; V7-L37 HydrophobicContact CG2-CD2 4.32Å; V7-M51 HydrophobicContact CG2-CE 4.08Å; V7-M51 HydrophobicContact CG2-SD 3.7Å; V7-L126 HydrophobicContact CG1-CD1 4.46Å; V7-L126 HydrophobicContact CG1-CD2 3.57Å; V7-L126 HydrophobicContact CG2-CD1 3.92Å; V7-L126 HydrophobicContact CG2-CD2 4.41Å; V7-F128 HydrophobicContact CG1-CB 3.97Å; V7-F128 HydrophobicContact CG1-CD2 4.07Å; V7-F128 HydrophobicContact CG1-CG 4.33Å; V7-V300 HydrophobicContact CB-CG2 4.36Å; V7-V300 HydrophobicContact CG1-CB 4.07Å; V7-V300 HydrophobicContact CG1-CG1 4.25Å; V7-V300 HydrophobicContact CG1-CG2 3.95Å
8A98.8Very high96.6Very high0 Ų058.2 Ų58.20%027%0.267CS..Hα-helixtrans-64.7-44.3179.600000111.8A4 D5 E6 C11 Y12 F128 S339 L341A4-A8 WeakPolarHBondContact O-CB 3.42Å; A4-A8 PolarHBondContact O-N 2.78Å; D5-A8 PolarHBondContact O-N 3.04Å; E6-A8 PolarHBondContact O-N 2.77Å; A8-C11 WeakPolarHBondContact O-CB 3.3Å; A8-C11 PolarHBondContact O-N 3.07Å; A8-C11 VanDerWaalsContact O-N 3.15Å; A8-Y12 HydrophobicContact CB-CE2 4.13Å; A8-Y12 WeakPolarHBondContact O-CD2 3.46Å; A8-Y12 PolarHBondContact O-N 2.77Å; A8-F128 HydrophobicContact CB-CD2 4.32Å; A8-F128 HydrophobicContact CB-CE2 3.57Å; A8-F128 HydrophobicContact CB-CZ 4Å; A8-S339 VanDerWaalsContact CB-OG 3.25Å; A8-S339 WeakPolarHBondContact CB-OG 3.44Å; A8-L341 HydrophobicContact CB-CB 4.21Å; A8-L341 HydrophobicContact CB-CD1 4.27Å
9E98.6Very high96.6Very high83 Ų8359.2 Ų59.239%0.38828%0.279SS..Hα-helixtrans-64.8-42.9179.1177.756.4-170.300111.8D5 E6 C11 Y12 E13 R16 L341D5-E9 VanDerWaalsContact O-CB 3.31Å; D5-E9 WeakPolarHBondContact O-CB 3.14Å; D5-E9 PolarHBondContact O-N 3.33Å; E6-E9 PolarHBondContact O-N 2.8Å; E9-C11 PolarHBondContact O-N 3.5Å; E9-Y12 PolarHBondContact O-N 2.94Å; E9-E13 WeakPolarHBondContact O-CB 3.18Å; E9-E13 PolarHBondContact O-N 3.33Å; E9-R16 IonicContact OE1-CZ 3.61Å; E9-R16 IonicContact OE1-NH1 3.55Å; E9-R16 PolarHBondContact OE1-NH1 2.72Å; E9-R16 IonicContact OE1-NH2 3.94Å; E9-R16 PolarHBondContact OE1-NH2 3.19Å; E9-R16 IonicContact OE2-CZ 3.24Å; E9-R16 IonicContact OE2-NH2 3.41Å; E9-R16 PolarHBondContact OE2-NH2 2.86Å; E9-L341 HydrophobicContact CB-CD1 3.9Å
10L98.5Very high96.6Very high56 Ų5667.8 Ų67.829%0.29331%0.309SS..Hα-helixtrans-56.3-38.2172.1-74.3169.6000112.2E6 R14 M51 V53E6-L10 HydrophobicContact CG-CD1 4.38Å; E6-L10 WeakPolarHBondContact O-CB 3.36Å; E6-L10 VanDerWaalsContact O-CG 3.27Å; E6-L10 WeakPolarHBondContact O-CG 3.23Å; E6-L10 PolarHBondContact O-N 3.5Å; L10-R14 WeakPolarHBondContact O-CB 3.43Å; L10-R14 PolarHBondContact O-N 2.89Å; L10-M51 HydrophobicContact CD1-CB 4.04Å; L10-M51 HydrophobicContact CD1-CE 4.29Å; L10-V53 HydrophobicContact CB-CG2 4.25Å
11C98.8Very high96.5Very high0 Ų071.2 Ų71.20%032%0.319CS..Hα-helixtrans-72.1-43.7176.9-64.70000112.4V7 A8 E9 E13 F15 L33 A35 F128V7-C11 PolarHBondContact O-N 2.92Å; V7-C11 PolarHBondContact O-SG 3.12Å; A8-C11 WeakPolarHBondContact O-CB 3.3Å; A8-C11 PolarHBondContact O-N 3.07Å; A8-C11 VanDerWaalsContact O-N 3.15Å; E9-C11 PolarHBondContact O-N 3.5Å; C11-E13 VanDerWaalsContact C-N 3.33Å; C11-F15 WeakPolarHBondContact O-CB 3.36Å; C11-F15 PolarHBondContact O-N 3.35Å; C11-L33 HydrophobicContact CB-CD2 4.34Å; C11-A35 HydrophobicContact CB-CB 4.29Å; C11-A35 VanDerWaalsContact SG-CB 3.53Å; C11-F128 HydrophobicContact CB-CD1 3.6Å; C11-F128 HydrophobicContact CB-CE1 3.89Å; C11-F128 HydrophobicContact CB-CG 4.2Å
12Y98.7Very high97.3Very high7 Ų762 Ų623%0.02728%0.277CS..Hα-helixtrans-68.6-31.9178-62.4-20.3000112A8 E9 R16 L33 F128 L341 E342 F343A8-Y12 HydrophobicContact CB-CE2 4.13Å; A8-Y12 WeakPolarHBondContact O-CD2 3.46Å; A8-Y12 PolarHBondContact O-N 2.77Å; E9-Y12 PolarHBondContact O-N 2.94Å; Y12-R16 WeakPolarHBondContact O-CB 3.24Å; Y12-R16 WeakPolarHBondContact O-CG 3.25Å; Y12-R16 PolarHBondContact O-N 3.22Å; Y12-R16 PolarHBondContact O-NE 3.35Å; Y12-R16 VanDerWaalsContact O-NE 3.17Å; Y12-L33 HydrophobicContact CD1-CD2 3.59Å; Y12-L33 HydrophobicContact CE1-CD2 3.95Å; Y12-F128 HydrophobicContact CD1-CE1 4.44Å; Y12-F128 AromaticContact CE1-CE1 3.77Å; Y12-F128 HydrophobicContact CE1-CE1 3.77Å; Y12-F128 AromaticContact CE1-CZ 3.63Å; Y12-F128 HydrophobicContact CE1-CZ 3.63Å; Y12-F128 AromaticContact CZ-CZ 3.78Å; Y12-L341 HydrophobicContact CD2-CB 4.41Å; Y12-L341 HydrophobicContact CE2-CB 3.74Å; Y12-L341 PolarHBondContact OH-O 2.75Å; Y12-E342 WeakPolarHBondContact CE2-O 3.42Å; Y12-F343 AromaticContact CD1-CD2 3.72Å; Y12-F343 HydrophobicContact CD1-CD2 3.72Å; Y12-F343 HydrophobicContact CE1-CB 3.67Å; Y12-F343 AromaticContact CE1-CD2 3.66Å; Y12-F343 HydrophobicContact CE1-CD2 3.66Å; Y12-F343 HydrophobicContact CE1-CG 4.08Å; Y12-F343 PolarHBondContact OH-N 3.46Å; Y12-F343 VanDerWaalsContact OH-N 3.13Å
13E98.5Very high97.6Very high62 Ų6262.8 Ų62.829%0.2928%0.28SS..Hα-helixtrans-73.5-45.9174.9-152.5-141.8167.900111.1E9 C11 F15 R16 R17E9-E13 WeakPolarHBondContact O-CB 3.18Å; E9-E13 PolarHBondContact O-N 3.33Å; C11-E13 VanDerWaalsContact C-N 3.33Å; E13-F15 PolarHBondContact O-N 2.55Å; E13-R16 WeakPolarHBondContact O-CB 3.44Å; E13-R16 PolarHBondContact O-N 2.68Å; E13-R16 VanDerWaalsContact O-N 3.07Å; E13-R17 VanDerWaalsContact CD-NE 3.26Å; E13-R17 WeakPolarHBondContact O-CG 2.94Å; E13-R17 PolarHBondContact O-N 2.92Å; E13-R17 IonicContact OE1-CZ 2.72Å; E13-R17 IonicContact OE1-NE 3.57Å; E13-R17 PolarHBondContact OE1-NE 2.96Å; E13-R17 IonicContact OE1-NH2 2.68Å; E13-R17 PolarHBondContact OE1-NH2 2.96Å; E13-R17 IonicContact OE2-CZ 3.83Å; E13-R17 IonicContact OE2-NE 2.86Å; E13-R17 PolarHBondContact OE2-NE 3.2Å; E13-R17 IonicContact OE2-NH2 2.78Å; E13-R17 PolarHBondContact OE2-NH2 2.93Å
14R98.5Very high97.6Very high64 Ų6459 Ų5924%0.24226%0.259CS..Hα-helixtrans-56.7-39172.3-175.663.765.2150.63.9111.1L10 L18 V53 L56 W370L10-R14 WeakPolarHBondContact O-CB 3.43Å; L10-R14 PolarHBondContact O-N 2.89Å; R14-L18 WeakPolarHBondContact O-CG 3.35Å; R14-V53 HydrophobicContact CB-CB 4.38Å; R14-V53 HydrophobicContact CB-CG1 4.33Å; R14-V53 HydrophobicContact CB-CG2 4.34Å; R14-V53 HydrophobicContact CG-CB 4.23Å; R14-V53 HydrophobicContact CG-CG1 3.95Å; R14-L56 HydrophobicContact CB-CD1 3.92Å; R14-L56 HydrophobicContact CG-CD1 3.73Å; R14-W370 HydrophobicContact CG-CE3 4.11Å; R14-W370 HydrophobicContact CG-CZ3 4.17Å
15F98.6Very high97.5Very high4 Ų462.5 Ų62.52%0.01827%0.274CS..Hα-helixtrans-66.7-45.6172.4179-102.5000112.9C11 E13 R17 L18 K23 L33 L56 T58 F343 F345 I368C11-F15 WeakPolarHBondContact O-CB 3.36Å; C11-F15 PolarHBondContact O-N 3.35Å; E13-F15 PolarHBondContact O-N 2.55Å; F15-R17 VanDerWaalsContact C-N 3.29Å; F15-R17 PolarHBondContact O-N 3.09Å; F15-L18 HydrophobicContact CD2-CD1 4.21Å; F15-L18 WeakPolarHBondContact O-CB 3.3Å; F15-L18 PolarHBondContact O-N 2.99Å; F15-L18 VanDerWaalsContact O-N 3.07Å; F15-K23 HydrophobicContact CE1-CD 4.28Å; F15-K23 HydrophobicContact CE2-CG 4.16Å; F15-K23 HydrophobicContact CZ-CB 4.37Å; F15-K23 HydrophobicContact CZ-CD 3.96Å; F15-K23 HydrophobicContact CZ-CG 3.76Å; F15-K23 WeakPolarHBondContact O-CE 3.38Å; F15-K23 PolarHBondContact O-NZ 3.13Å; F15-L33 HydrophobicContact CB-CD1 4.11Å; F15-L33 HydrophobicContact CB-CD2 4.1Å; F15-L33 HydrophobicContact CD2-CD1 3.82Å; F15-L33 HydrophobicContact CG-CD1 4.13Å; F15-L56 HydrophobicContact CB-CD1 4.08Å; F15-L56 HydrophobicContact CD2-CD2 4.38Å; F15-T58 HydrophobicContact CD2-CG2 4.02Å; F15-T58 HydrophobicContact CE2-CG2 3.69Å; F15-F343 AromaticContact CD1-CE2 3.68Å; F15-F343 HydrophobicContact CD1-CE2 3.68Å; F15-F343 HydrophobicContact CD1-CZ 4.14Å; F15-F343 AromaticContact CE1-CE2 3.83Å; F15-F343 HydrophobicContact CE1-CE2 3.83Å; F15-F343 AromaticContact CE1-CZ 3.86Å; F15-F343 HydrophobicContact CE1-CZ 3.86Å; F15-F343 HydrophobicContact CE2-CZ 4.42Å; F15-F343 HydrophobicContact CG-CE2 4.11Å; F15-F343 HydrophobicContact CZ-CE2 4.38Å; F15-F343 HydrophobicContact CZ-CZ 4Å; F15-F345 AromaticContact CE1-CD2 3.72Å; F15-F345 HydrophobicContact CE1-CD2 3.72Å; F15-F345 AromaticContact CE1-CE2 3.75Å; F15-F345 HydrophobicContact CE1-CE2 3.75Å; F15-F345 HydrophobicContact CZ-CD2 4.32Å; F15-F345 HydrophobicContact CZ-CE2 4.46Å; F15-I368 HydrophobicContact CE2-CD1 3.9Å
16R97.9Very high97.2Very high123 Ų12363.8 Ų63.846%0.46429%0.285SS..Hα-helixtrans-54-45.8176.3-88.6173.7-80.6151.2-7111.3E9 Y12 E13 L18 K23E9-R16 IonicContact OE1-CZ 3.61Å; E9-R16 IonicContact OE1-NH1 3.55Å; E9-R16 PolarHBondContact OE1-NH1 2.72Å; E9-R16 IonicContact OE1-NH2 3.94Å; E9-R16 PolarHBondContact OE1-NH2 3.19Å; E9-R16 IonicContact OE2-CZ 3.24Å; E9-R16 IonicContact OE2-NH2 3.41Å; E9-R16 PolarHBondContact OE2-NH2 2.86Å; Y12-R16 WeakPolarHBondContact O-CB 3.24Å; Y12-R16 WeakPolarHBondContact O-CG 3.25Å; Y12-R16 PolarHBondContact O-N 3.22Å; Y12-R16 PolarHBondContact O-NE 3.35Å; Y12-R16 VanDerWaalsContact O-NE 3.17Å; E13-R16 WeakPolarHBondContact O-CB 3.44Å; E13-R16 PolarHBondContact O-N 2.68Å; E13-R16 VanDerWaalsContact O-N 3.07Å; R16-L18 PolarHBondContact O-N 3.41Å; R16-K23 PolarHBondContact O-NZ 3.05Å
17R97.8Very high96.9Very high163 Ų16359.4 Ų59.462%0.61527%0.265SS*.THydrogen-bonded Turntrans-63.6-13.7178-66.3174.7-177.1-164.77.3115E13 F15E13-R17 VanDerWaalsContact CD-NE 3.26Å; E13-R17 WeakPolarHBondContact O-CG 2.94Å; E13-R17 PolarHBondContact O-N 2.92Å; E13-R17 IonicContact OE1-CZ 2.72Å; E13-R17 IonicContact OE1-NE 3.57Å; E13-R17 PolarHBondContact OE1-NE 2.96Å; E13-R17 IonicContact OE1-NH2 2.68Å; E13-R17 PolarHBondContact OE1-NH2 2.96Å; E13-R17 IonicContact OE2-CZ 3.83Å; E13-R17 IonicContact OE2-NE 2.86Å; E13-R17 PolarHBondContact OE2-NE 3.2Å; E13-R17 IonicContact OE2-NH2 2.78Å; E13-R17 PolarHBondContact OE2-NH2 2.93Å; F15-R17 VanDerWaalsContact C-N 3.29Å; F15-R17 PolarHBondContact O-N 3.09Å
18L97.6Very high96.8Very high17 Ų1763.8 Ų63.89%0.08928%0.281CS..SBendtrans-73.3152.5176.7-56.7-176.8000112.9R14 F15 R16 K23 L56 I368 W370 L378R14-L18 WeakPolarHBondContact O-CG 3.35Å; F15-L18 HydrophobicContact CD2-CD1 4.21Å; F15-L18 WeakPolarHBondContact O-CB 3.3Å; F15-L18 PolarHBondContact O-N 2.99Å; F15-L18 VanDerWaalsContact O-N 3.07Å; R16-L18 PolarHBondContact O-N 3.41Å; L18-K23 VanDerWaalsContact O-CE 3.31Å; L18-K23 WeakPolarHBondContact O-CE 3.37Å; L18-K23 PolarHBondContact O-NZ 3.28Å; L18-L56 HydrophobicContact CD1-CD2 3.92Å; L18-I368 HydrophobicContact CD1-CG2 3.82Å; L18-W370 HydrophobicContact CD1-CB 4.35Å; L18-W370 HydrophobicContact CD2-CB 4.17Å; L18-W370 HydrophobicContact CD2-CG 3.94Å; L18-L378 HydrophobicContact CD2-CD1 4.47Å
19P96.6Very high96.7Very high76 Ų7665.3 Ų65.349%0.49429%0.289SS..  trans-56.3161.7172.4-26.435.9000114.3R21 K23 L378P19-R21 VanDerWaalsContact C-N 3.3Å; P19-R21 PolarHBondContact O-N 2.95Å; P19-K23 WeakPolarHBondContact O-CE 3.4Å; P19-L378 HydrophobicContact CG-CD2 3.76Å
20R95.6Very high96.7Very high232 Ų23263.8 Ų63.888%0.87528%0.279SS*.SBendtrans-65-26178.6-68.2-173.9178.4-174.1-0.4114.2G22 K23R20-G22 PolarHBondContact O-N 2.77Å; R20-G22 VanDerWaalsContact O-N 3.09Å; R20-K23 PolarHBondContact O-N 3.14Å; R20-K23 VanDerWaalsContact O-N 3.07Å
21R95.1Very high96.7Very high139 Ų13961.1 Ų61.153%0.52527%0.265SS..THydrogen-bonded Turntrans-62.2111.6-173.1-179.8172.8174.7-110.83.8111.5P19 H387P19-R21 VanDerWaalsContact C-N 3.3Å; P19-R21 PolarHBondContact O-N 2.95Å; R21-H387 PolarHBondContact NH2-O 3.48Å
22G94.6Very high96.6Very high12 Ų1262.3 Ų62.312%0.12427%0.271CS..THydrogen-bonded Turntrans84.76.8179.300000114.9R20 I368R20-G22 PolarHBondContact O-N 2.77Å; R20-G22 VanDerWaalsContact O-N 3.09Å; G22-I368 VanDerWaalsContact C-CD1 3.49Å; G22-I368 VanDerWaalsContact O-CD1 3.25Å; G22-I368 WeakPolarHBondContact O-CD1 3.29Å; G22-I368 WeakPolarHBondContact O-CG1 3.47Å
23K97Very high96.6Very high42 Ų4262 Ų6218%0.18327%0.27CS..PPolyproline II helixtrans-72.1148163.6-70.1-172.1167.9174.80109F15 R16 L18 P19 R20 I368F15-K23 HydrophobicContact CE1-CD 4.28Å; F15-K23 HydrophobicContact CE2-CG 4.16Å; F15-K23 HydrophobicContact CZ-CB 4.37Å; F15-K23 HydrophobicContact CZ-CD 3.96Å; F15-K23 HydrophobicContact CZ-CG 3.76Å; F15-K23 WeakPolarHBondContact O-CE 3.38Å; F15-K23 PolarHBondContact O-NZ 3.13Å; R16-K23 PolarHBondContact O-NZ 3.05Å; L18-K23 VanDerWaalsContact O-CE 3.31Å; L18-K23 WeakPolarHBondContact O-CE 3.37Å; L18-K23 PolarHBondContact O-NZ 3.28Å; P19-K23 WeakPolarHBondContact O-CE 3.4Å; R20-K23 PolarHBondContact O-N 3.14Å; R20-K23 VanDerWaalsContact O-N 3.07Å; K23-I368 HydrophobicContact CB-CD1 4.47Å; K23-I368 HydrophobicContact CG-CD1 3.75Å
24P96.6Very high96.7Very high5 Ų559 Ų593%0.03226%0.256CS..PPolyproline II helixtrans-63.2148177.3-18.232.5000111.4P26 E29 F345 C364P24-P26 WeakPolarHBondContact O-CD 3.16Å; P24-E29 HydrophobicContact CB-CB 3.69Å; P24-E29 WeakPolarHBondContact CB-O 3.38Å; P24-F345 HydrophobicContact CB-CB 4.37Å; P24-F345 HydrophobicContact CB-CD1 3.79Å; P24-F345 HydrophobicContact CB-CE1 4.46Å; P24-F345 HydrophobicContact CB-CG 4.35Å; P24-F345 HydrophobicContact CG-CB 3.99Å; P24-F345 HydrophobicContact CG-CD1 4.06Å; P24-F345 HydrophobicContact CG-CG 4.15Å; P24-F345 VanDerWaalsContact O-CE1 3.24Å; P24-F345 WeakPolarHBondContact O-CE1 3.47Å; P24-C364 HydrophobicContact CB-CB 4.1Å; P24-C364 HydrophobicContact CG-CB 4.03Å
25E94.9Very high96.7Very high86 Ų8656 Ų5640%0.40225%0.245SC..PPolyproline II helixtrans-69.9120.4172.5-167.5-179.7161.700111.5G27 R28 E29E25-G27 PolarHBondContact O-N 2.77Å; E25-R28 HydrophobicContact CB-CB 4.34Å; E25-R28 HydrophobicContact CG-CB 4.25Å; E25-R28 PolarHBondContact O-N 2.55Å; E25-R28 VanDerWaalsContact O-N 3.12Å; E25-R28 WeakPolarHBondContact OE1-CD 3.38Å; E25-R28 WeakPolarHBondContact OE2-CD 3.43Å; E25-R28 IonicContact OE2-CZ 2.74Å; E25-R28 IonicContact OE2-NE 2.75Å; E25-R28 IonicContact OE2-NH1 3.56Å; E25-R28 PolarHBondContact OE2-NH1 2.93Å; E25-E29 HydrophobicContact CB-CB 4.35Å; E25-E29 HydrophobicContact CB-CG 4.2Å; E25-E29 PolarHBondContact N-OE2 2.77Å; E25-E29 PolarHBondContact O-N 2.99Å
26P92.4Very high96.7Very high76 Ų7655.8 Ų55.849%0.49424%0.244SC..THydrogen-bonded Turntrans-56.5135.2-178-24.632.8000113.4P24 R28 F345 Q358P24-P26 WeakPolarHBondContact O-CD 3.16Å; P26-R28 PolarHBondContact O-N 2.83Å; P26-F345 HydrophobicContact CG-CE1 4.07Å; P26-Q358 PolarHBondContact O-NE2 2.82Å
27G92.4Very high96.7Very high1 Ų149.9 Ų49.91%0.0122%0.222CC..THydrogen-bonded Turntrans67.66.9-178.200000115.4E25 H354E25-G27 PolarHBondContact O-N 2.77Å; G27-H354 PolarHBondContact O-ND1 2.83Å
28R95.6Very high96.8Very high91 Ų9143.4 Ų43.434%0.34320%0.197SC..THydrogen-bonded Turntrans-139.6-37.6-177.9-172.9175.8175-94.9-5.1114.9E25 P26 Q358 I361 S362E25-R28 HydrophobicContact CB-CB 4.34Å; E25-R28 HydrophobicContact CG-CB 4.25Å; E25-R28 PolarHBondContact O-N 2.55Å; E25-R28 VanDerWaalsContact O-N 3.12Å; E25-R28 WeakPolarHBondContact OE1-CD 3.38Å; E25-R28 WeakPolarHBondContact OE2-CD 3.43Å; E25-R28 IonicContact OE2-CZ 2.74Å; E25-R28 IonicContact OE2-NE 2.75Å; E25-R28 IonicContact OE2-NH1 3.56Å; E25-R28 PolarHBondContact OE2-NH1 2.93Å; P26-R28 PolarHBondContact O-N 2.83Å; R28-Q358 WeakPolarHBondContact CD-O 3.32Å; R28-Q358 PolarHBondContact NE-O 2.88Å; R28-Q358 VanDerWaalsContact NE-O 3.14Å; R28-I361 CarbonylContact O-C 3.59Å; R28-I361 WeakPolarHBondContact O-CA 3.23Å; R28-S362 PolarHBondContact O-N 3.22Å
29E97.2Very high96.7Very high33 Ų3342.6 Ų42.615%0.15419%0.193CC..EExtended strand (participates in β ladder)trans-113.7145.1170.6-65.8-169.7129.200111.8P24 E25 T350 S362 C364 G365P24-E29 HydrophobicContact CB-CB 3.69Å; P24-E29 WeakPolarHBondContact CB-O 3.38Å; E25-E29 HydrophobicContact CB-CB 4.35Å; E25-E29 HydrophobicContact CB-CG 4.2Å; E25-E29 PolarHBondContact N-OE2 2.77Å; E25-E29 PolarHBondContact O-N 2.99Å; E29-T350 WeakPolarHBondContact O-CG2 3.22Å; E29-T350 PolarHBondContact O-OG1 3.28Å; E29-S362 CarbonylContact C-O 3.51Å; E29-S362 WeakPolarHBondContact CA-O 3.28Å; E29-C364 HydrophobicContact CB-CB 4.16Å; E29-C364 VanDerWaalsContact OE1-CA 3.29Å; E29-C364 WeakPolarHBondContact OE1-CA 3.18Å; E29-C364 PolarHBondContact OE2-SG 3.22Å; E29-G365 PolarHBondContact OE1-N 2.88Å
30W97.8Very high96.7Very high50 Ų5040.3 Ų40.319%0.18918%0.178CC..EExtended strand (participates in β ladder)trans-120.4159.9168.661.9-98.1000111.1L32 T60 F345 Q347 T350 S362 A363 C364W30-L32 HydrophobicContact CZ3-CG 4.45Å; W30-T60 HydrophobicContact CE3-CG2 4.34Å; W30-T60 HydrophobicContact CH2-CG2 4.44Å; W30-T60 HydrophobicContact CZ3-CG2 3.73Å; W30-F345 CarbonylContact C-O 3.54Å; W30-F345 WeakPolarHBondContact CA-O 3.44Å; W30-Q347 HydrophobicContact CB-CB 4.33Å; W30-Q347 HydrophobicContact CD2-CB 3.88Å; W30-Q347 HydrophobicContact CD2-CG 4.4Å; W30-Q347 HydrophobicContact CE3-CB 4.29Å; W30-Q347 HydrophobicContact CG-CB 3.9Å; W30-Q347 HydrophobicContact CG-CG 4.28Å; W30-T350 HydrophobicContact CB-CG2 4.4Å; W30-S362 PolarHBondContact N-O 3.23Å; W30-A363 HydrophobicContact CD2-CB 4.29Å; W30-A363 HydrophobicContact CH2-CB 4.08Å; W30-A363 HydrophobicContact CZ2-CB 3.75Å; W30-A363 HydrophobicContact CZ3-CB 4.48Å; W30-A363 CarbonylContact O-C 3.56Å; W30-C364 WeakPolarHBondContact O-CB 3.39Å; W30-C364 PolarHBondContact O-N 2.84Å
31S97.9Very high96.5Very high0 Ų033.7 Ų33.70%015%0.153CC..  trans-151.4172173.4-160.90000110.9G59 F343 F345S31-G59 WeakPolarHBondContact OG-CA 3.43Å; S31-G59 PolarHBondContact OG-N 3.49Å; S31-F343 WeakPolarHBondContact O-CD1 3.39Å; S31-F343 WeakPolarHBondContact O-CE1 3.45Å; S31-F345 PolarHBondContact N-O 2.92Å
32L98.3Very high95.8Very high25 Ų2534.3 Ų34.313%0.13116%0.155CC..  trans-103.2151.2169-60.8-177.9000109.4W30 T58 G59 T60 A80 H131W30-L32 HydrophobicContact CZ3-CG 4.45Å; L32-T58 WeakPolarHBondContact O-CA 3.21Å; L32-T58 VanDerWaalsContact O-CB 3.26Å; L32-T58 WeakPolarHBondContact O-CB 3.49Å; L32-G59 PolarHBondContact O-N 3.14Å; L32-G59 VanDerWaalsContact O-N 3.14Å; L32-T60 HydrophobicContact CB-CG2 4.1Å; L32-T60 HydrophobicContact CD1-CG2 4.14Å; L32-T60 HydrophobicContact CG-CG2 3.74Å; L32-A80 HydrophobicContact CB-CB 4.13Å; L32-H131 HydrophobicContact CD1-CB 4.34Å; L32-H131 HydrophobicContact CD2-CB 3.55Å
33L98.8Very high94.5Very high0 Ų039.7 Ų39.70%019%0.188CC..EExtended strand (participates in β ladder)trans-118.1143.2173.7-177.775.1000109C11 Y12 F15 L56 G57 T58 F128 T129 S130 F343C11-L33 HydrophobicContact CB-CD2 4.34Å; Y12-L33 HydrophobicContact CD1-CD2 3.59Å; Y12-L33 HydrophobicContact CE1-CD2 3.95Å; F15-L33 HydrophobicContact CB-CD1 4.11Å; F15-L33 HydrophobicContact CB-CD2 4.1Å; F15-L33 HydrophobicContact CD2-CD1 3.82Å; F15-L33 HydrophobicContact CG-CD1 4.13Å; L33-L56 HydrophobicContact CD1-CD1 4.07Å; L33-L56 HydrophobicContact CD1-CD2 3.5Å; L33-L56 HydrophobicContact CD1-CG 3.7Å; L33-G57 CarbonylContact C-O 3.09Å; L33-G57 WeakPolarHBondContact CA-O 3.24Å; L33-T58 HydrophobicContact CB-CG2 4.47Å; L33-T58 HydrophobicContact CD1-CG2 3.53Å; L33-F128 HydrophobicContact CD2-CE1 4.3Å; L33-T129 CarbonylContact O-C 3.6Å; L33-S130 PolarHBondContact N-OG 3.5Å; L33-S130 WeakPolarHBondContact O-CB 3.29Å; L33-S130 PolarHBondContact O-N 3.33Å; L33-S130 PolarHBondContact O-OG 3.11Å; L33-F343 HydrophobicContact CB-CD1 4.22Å; L33-F343 HydrophobicContact CB-CD2 3.99Å; L33-F343 HydrophobicContact CB-CE1 4.03Å; L33-F343 HydrophobicContact CB-CE2 3.81Å; L33-F343 HydrophobicContact CB-CG 4.21Å; L33-F343 HydrophobicContact CB-CZ 3.83Å; L33-F343 HydrophobicContact CD2-CD2 3.92Å; L33-F343 HydrophobicContact CD2-CE2 3.79Å; L33-F343 HydrophobicContact CG-CE2 4.26Å
34A98.9Very high93Very high0 Ų045.3 Ų45.30%022%0.22CC..EExtended strand (participates in β ladder)trans-144.9157.816700000109.3L56 G57 A80 E81 A84 F128A34-L56 CarbonylContact O-C 3.55Å; A34-L56 WeakPolarHBondContact O-CA 3.48Å; A34-G57 PolarHBondContact N-O 2.85Å; A34-G57 PolarHBondContact O-N 3Å; A34-A80 HydrophobicContact CB-CB 3.79Å; A34-E81 HydrophobicContact CB-CB 4.3Å; A34-E81 HydrophobicContact CB-CG 4.11Å; A34-A84 HydrophobicContact CB-CB 4.18Å; A34-F128 CarbonylContact C-O 3.47Å; A34-F128 WeakPolarHBondContact CA-O 3.29Å; A34-F128 VanDerWaalsContact CB-O 3.28Å; A34-F128 WeakPolarHBondContact CB-O 3.27Å
35A98.9Very high91.2Very high0 Ų047.1 Ų47.10%023%0.233CC..EExtended strand (participates in β ladder)trans-150.6149.9-178.400000111.5C11 L37 V53 S55 L56 L127 F128C11-A35 HydrophobicContact CB-CB 4.29Å; C11-A35 VanDerWaalsContact SG-CB 3.53Å; A35-L37 HydrophobicContact CB-CD1 4.19Å; A35-V53 HydrophobicContact CB-CG1 4.04Å; A35-S55 CarbonylContact C-O 3.52Å; A35-S55 WeakPolarHBondContact CA-O 3.47Å; A35-S55 WeakPolarHBondContact CB-O 3.32Å; A35-L56 HydrophobicContact CB-CB 4.39Å; A35-L127 WeakPolarHBondContact O-CD1 3.47Å; A35-F128 HydrophobicContact CB-CB 4.45Å; A35-F128 PolarHBondContact N-O 2.54Å; A35-F128 PolarHBondContact O-N 2.72Å
36V98.9Very high89.3Confident0 Ų051.7 Ų51.70%026%0.26CS..EExtended strand (participates in β ladder)trans-105.2127.4167178.90000108V54 S55 A84 C88 F125 L126 L127 F296V36-V54 HydrophobicContact CB-CG2 4.36Å; V36-V54 HydrophobicContact CG1-CG2 4.05Å; V36-V54 VanDerWaalsContact O-CG2 3.3Å; V36-V54 WeakPolarHBondContact O-CG2 3.47Å; V36-V54 PolarHBondContact O-N 3.05Å; V36-S55 PolarHBondContact N-O 2.78Å; V36-S55 PolarHBondContact O-N 3.11Å; V36-A84 HydrophobicContact CG2-CB 4.45Å; V36-C88 HydrophobicContact CB-CB 4.04Å; V36-C88 HydrophobicContact CG1-CB 4.24Å; V36-C88 HydrophobicContact CG2-CB 3.93Å; V36-F125 HydrophobicContact CG1-CB 4.38Å; V36-F125 HydrophobicContact CG1-CD1 3.79Å; V36-F125 HydrophobicContact CG1-CG 4.46Å; V36-L126 WeakPolarHBondContact CA-O 3.37Å; V36-L127 HydrophobicContact CG2-CD1 3.88Å; V36-F296 HydrophobicContact CB-CE1 4.37Å; V36-F296 HydrophobicContact CG1-CE1 3.71Å; V36-F296 HydrophobicContact CG2-CE1 3.75Å; V36-F296 HydrophobicContact CG2-CZ 3.75Å
37L98.8Very high87.8Confident0 Ų052.8 Ų52.80%027%0.27CS..EExtended strand (participates in β ladder)trans-106.5137.3174.7-65.673.1000109.2V7 A35 M51 E52 V53 F125 L126 F128V7-L37 HydrophobicContact CG1-CD1 4.35Å; V7-L37 HydrophobicContact CG1-CD2 4.09Å; V7-L37 HydrophobicContact CG2-CD2 4.32Å; A35-L37 HydrophobicContact CB-CD1 4.19Å; L37-M51 HydrophobicContact CD2-CB 4.37Å; L37-E52 CarbonylContact C-O 3.46Å; L37-E52 WeakPolarHBondContact CA-O 3.27Å; L37-V53 HydrophobicContact CD1-CG2 4.49Å; L37-V53 HydrophobicContact CD2-CG2 4.33Å; L37-V53 HydrophobicContact CG-CG2 4.03Å; L37-F125 VanDerWaalsContact O-CA 3.31Å; L37-F125 WeakPolarHBondContact O-CA 3.3Å; L37-L126 HydrophobicContact CB-CD2 4.47Å; L37-L126 HydrophobicContact CD1-CD2 3.83Å; L37-L126 HydrophobicContact CG-CD2 4.5Å; L37-L126 PolarHBondContact N-O 3.06Å; L37-L126 PolarHBondContact O-N 3.42Å; L37-F128 HydrophobicContact CD1-CB 4.19Å
38R98.2Very high86.8Confident27 Ų2755.4 Ų55.410%0.10229%0.291CS..EExtended strand (participates in β ladder)trans-79.4131.3159.9175.7176.567152.8-2.4107.7M51 E52 V54 S106 V123 F125R38-M51 WeakPolarHBondContact O-CA 3.39Å; R38-E52 IonicContact CZ-OE2 3.84Å; R38-E52 PolarHBondContact N-O 2.86Å; R38-E52 IonicContact NE-OE2 3.61Å; R38-E52 PolarHBondContact NE-OE2 3.46Å; R38-E52 IonicContact NH2-OE2 2.77Å; R38-E52 PolarHBondContact NH2-OE2 3.49Å; R38-E52 PolarHBondContact O-N 3.19Å; R38-V54 HydrophobicContact CB-CG1 3.65Å; R38-S106 PolarHBondContact NH1-OG 3.09Å; R38-V123 HydrophobicContact CG-CG1 3.89Å; R38-F125 HydrophobicContact CB-CD1 4.47Å; R38-F125 HydrophobicContact CB-CE1 4.17Å
39I96.8Very high86.4Confident0 Ų052.8 Ų52.80%029%0.285CS..EExtended strand (participates in β ladder)trans-106.8134.6169.7-65.7166.8000107.8I2 R41 V49 E50 M51 V123 S124 L126I2-I39 HydrophobicContact CD1-CD1 3.72Å; I39-R41 HydrophobicContact CG2-CG 4.09Å; I39-V49 HydrophobicContact CG2-CG1 3.51Å; I39-E50 CarbonylContact C-O 3.58Å; I39-E50 WeakPolarHBondContact CA-O 3.48Å; I39-M51 HydrophobicContact CG1-CG 4.3Å; I39-V123 CarbonylContact O-C 3.6Å; I39-V123 VanDerWaalsContact O-CA 3.25Å; I39-V123 WeakPolarHBondContact O-CA 3.17Å; I39-S124 PolarHBondContact N-O 3.12Å; I39-S124 PolarHBondContact O-N 2.96Å; I39-L126 HydrophobicContact CD1-CB 3.62Å; I39-L126 HydrophobicContact CD1-CD1 4.08Å; I39-L126 HydrophobicContact CG1-CB 4.3Å
40T95.1Very high86.2Confident27 Ų2755 Ų5517%0.16630%0.296CS..EExtended strand (participates in β ladder)trans-124.1118.6170.5-540000109.5E50 V123T40-E50 PolarHBondContact N-O 3.37Å; T40-E50 PolarHBondContact O-N 2.89Å; T40-V123 HydrophobicContact CG2-CG2 4.2Å
41R91.4Very high86.2Confident94 Ų9453.9 Ų53.936%0.35529%0.292SS..EExtended strand (participates in β ladder)trans-102.7124.3175.2-59.5176.5-172.179.2-8.5109.2I39 V49 G122 S124 D297I39-R41 HydrophobicContact CG2-CG 4.09Å; R41-V49 HydrophobicContact CG-CG1 4.47Å; R41-G122 PolarHBondContact N-O 3.34Å; R41-S124 PolarHBondContact NH1-OG 2.62Å; R41-D297 IonicContact CZ-OD2 3.79Å; R41-D297 IonicContact NH1-OD2 2.99Å; R41-D297 IonicContact NH2-OD2 3.65Å; R41-D297 PolarHBondContact NH2-OD2 3.07Å
42R81.6Confident86.1Confident151 Ų15156.2 Ų56.257%0.5730%0.303SS*.  trans-99.4136.2-179-57.4-179-173.4-166.83.3110.1N44 E50R42-N44 PolarHBondContact O-N 3.12Å; R42-E50 IonicContact CZ-OE2 3.45Å; R42-E50 IonicContact NE-OE2 3.87Å; R42-E50 PolarHBondContact NE-OE2 2.91Å; R42-E50 IonicContact NH2-OE2 3.51Å; R42-E50 PolarHBondContact NH2-OE2 3.22Å
43P66.7Low86.2Confident125 Ų12555.3 Ų55.381%0.81230%0.299SS*.THydrogen-bonded Turntrans-71.7-22.6-168.326.8-35.2000115.2
44N65.2Low86.2Confident160 Ų16055.3 Ų55.386%0.85630%0.299SS*.THydrogen-bonded Turntrans-107.923.3-173.1-64.130.4000112.9R42R42-N44 PolarHBondContact O-N 3.12Å
45S59.5Low86.2Confident44 Ų4455.3 Ų55.331%0.30830%0.299SS..  trans-142.1100.8178.756.70000110S47 A48S45-S47 PolarHBondContact O-N 3.36Å; S45-A48 PolarHBondContact O-N 2.69Å
46D54.8Low86.2Confident182 Ų18255.3 Ų55.397%0.97330%0.299SS*.SBendtrans-67.212.4-163.5-123.2-9.9000116.3
47S60.3Low86.1Confident99 Ų9955.3 Ų55.369%0.69230%0.299SS*.SBendtrans-155.7-28.1-173.358.10000114.6S45 V49S45-S47 PolarHBondContact O-N 3.36Å; S47-V49 PolarHBondContact O-N 3.15Å; S47-V49 VanDerWaalsContact O-N 3.09Å
48A71.9Confident86.1Confident55 Ų5555.3 Ų55.346%0.45530%0.299SS..  trans-75.798.1-172.400000112.7S45S45-A48 PolarHBondContact O-N 2.69Å
49V87.9Confident86.1Confident37 Ų3754.1 Ų54.122%0.22430%0.295CS..EExtended strand (participates in β ladder)trans-97.6110.3170.2-177.20000108.2I39 R41 S47 M51I39-V49 HydrophobicContact CG2-CG1 3.51Å; R41-V49 HydrophobicContact CG-CG1 4.47Å; S47-V49 PolarHBondContact O-N 3.15Å; S47-V49 VanDerWaalsContact O-N 3.09Å; V49-M51 HydrophobicContact CG1-CG 4.11Å
50E93.4Very high86Confident80 Ų8055.3 Ų55.337%0.37430%0.302SS..EExtended strand (participates in β ladder)trans-83.2126.1178.9-175.5-177.4158.500109.7I39 T40 R42I39-E50 CarbonylContact C-O 3.58Å; I39-E50 WeakPolarHBondContact CA-O 3.48Å; T40-E50 PolarHBondContact N-O 3.37Å; T40-E50 PolarHBondContact O-N 2.89Å; R42-E50 IonicContact CZ-OE2 3.45Å; R42-E50 IonicContact NE-OE2 3.87Å; R42-E50 PolarHBondContact NE-OE2 2.91Å; R42-E50 IonicContact NH2-OE2 3.51Å; R42-E50 PolarHBondContact NH2-OE2 3.22Å
51M96Very high86Confident25 Ų2557.5 Ų57.512%0.12331%0.309CS..EExtended strand (participates in β ladder)trans-124.5121.1-175.5-63.1-167.7-72.200111.4I2 E6 V7 L10 L37 R38 I39 V49I2-M51 HydrophobicContact CG2-SD 4.3Å; E6-M51 HydrophobicContact CB-CE 4.37Å; E6-M51 HydrophobicContact CG-CE 3.79Å; E6-M51 VanDerWaalsContact OE1-CE 3.32Å; E6-M51 WeakPolarHBondContact OE1-CE 3.48Å; E6-M51 WeakPolarHBondContact OE2-CE 3.31Å; V7-M51 HydrophobicContact CG2-CE 4.08Å; V7-M51 HydrophobicContact CG2-SD 3.7Å; L10-M51 HydrophobicContact CD1-CB 4.04Å; L10-M51 HydrophobicContact CD1-CE 4.29Å; L37-M51 HydrophobicContact CD2-CB 4.37Å; R38-M51 WeakPolarHBondContact O-CA 3.39Å; I39-M51 HydrophobicContact CG1-CG 4.3Å; V49-M51 HydrophobicContact CG1-CG 4.11Å
52E97.6Very high86.1Confident50 Ų5053.6 Ų53.623%0.23430%0.296CS..EExtended strand (participates in β ladder)trans-124.4124.2179.2-175.7-174.6-161.400111.1L37 R38 V54 N372L37-E52 CarbonylContact C-O 3.46Å; L37-E52 WeakPolarHBondContact CA-O 3.27Å; R38-E52 IonicContact CZ-OE2 3.84Å; R38-E52 PolarHBondContact N-O 2.86Å; R38-E52 IonicContact NE-OE2 3.61Å; R38-E52 PolarHBondContact NE-OE2 3.46Å; R38-E52 IonicContact NH2-OE2 2.77Å; R38-E52 PolarHBondContact NH2-OE2 3.49Å; R38-E52 PolarHBondContact O-N 3.19Å; E52-V54 HydrophobicContact CG-CG1 4.41Å; E52-V54 PolarHBondContact O-N 3.13Å; E52-V54 VanDerWaalsContact O-N 3.1Å; E52-N372 PolarHBondContact OE1-ND2 2.94Å
53V98.8Very high86.6Confident5 Ų546.9 Ų46.93%0.0327%0.272CS..EExtended strand (participates in β ladder)trans-66.1108.8169-175.50000109.3L10 R14 A35 L37 L56 W370L10-V53 HydrophobicContact CB-CG2 4.25Å; R14-V53 HydrophobicContact CB-CB 4.38Å; R14-V53 HydrophobicContact CB-CG1 4.33Å; R14-V53 HydrophobicContact CB-CG2 4.34Å; R14-V53 HydrophobicContact CG-CB 4.23Å; R14-V53 HydrophobicContact CG-CG1 3.95Å; A35-V53 HydrophobicContact CB-CG1 4.04Å; L37-V53 HydrophobicContact CD1-CG2 4.49Å; L37-V53 HydrophobicContact CD2-CG2 4.33Å; L37-V53 HydrophobicContact CG-CG2 4.03Å; V53-L56 HydrophobicContact CG1-CB 4.32Å; V53-W370 HydrophobicContact CG1-CZ3 4.16Å; V53-W370 WeakPolarHBondContact O-CH2 3.32Å; V53-W370 VanDerWaalsContact O-CZ3 3.22Å; V53-W370 WeakPolarHBondContact O-CZ3 3.29Å
54V98.8Very high87.8Confident0 Ų041.4 Ų41.40%024%0.238CC..EExtended strand (participates in β ladder)trans-97.9-20.6-179.9-65.50000113.4V36 R38 E52 Y91 F125 C371 N372V36-V54 HydrophobicContact CB-CG2 4.36Å; V36-V54 HydrophobicContact CG1-CG2 4.05Å; V36-V54 VanDerWaalsContact O-CG2 3.3Å; V36-V54 WeakPolarHBondContact O-CG2 3.47Å; V36-V54 PolarHBondContact O-N 3.05Å; R38-V54 HydrophobicContact CB-CG1 3.65Å; E52-V54 HydrophobicContact CG-CG1 4.41Å; E52-V54 PolarHBondContact O-N 3.13Å; E52-V54 VanDerWaalsContact O-N 3.1Å; V54-Y91 HydrophobicContact CB-CD1 3.82Å; V54-Y91 HydrophobicContact CB-CE1 3.72Å; V54-Y91 HydrophobicContact CB-CG 4.28Å; V54-Y91 HydrophobicContact CG1-CD1 4.33Å; V54-Y91 HydrophobicContact CG1-CE1 3.71Å; V54-Y91 HydrophobicContact CG1-CE2 4.39Å; V54-Y91 HydrophobicContact CG2-CD1 3.99Å; V54-Y91 HydrophobicContact CG2-CE1 3.98Å; V54-F125 HydrophobicContact CG2-CD1 4.47Å; V54-F125 HydrophobicContact CG2-CE1 4.14Å; V54-C371 CarbonylContact O-C 3.55Å; V54-C371 WeakPolarHBondContact O-CA 3.38Å; V54-N372 HydrophobicContact CB-CB 4.38Å; V54-N372 WeakPolarHBondContact O-CB 3.35Å; V54-N372 PolarHBondContact O-N 2.88Å
55S98.9Very high89Confident0 Ų039.9 Ų39.90%022%0.224CC..EExtended strand (participates in β ladder)trans-153.7153.8166.3-171.20000111.9A35 V36 A84 G87 C88 W370A35-S55 CarbonylContact C-O 3.52Å; A35-S55 WeakPolarHBondContact CA-O 3.47Å; A35-S55 WeakPolarHBondContact CB-O 3.32Å; V36-S55 PolarHBondContact N-O 2.78Å; V36-S55 PolarHBondContact O-N 3.11Å; S55-A84 WeakPolarHBondContact CB-O 3.26Å; S55-A84 PolarHBondContact OG-O 3.1Å; S55-G87 VanDerWaalsContact OG-C 3.22Å; S55-G87 VanDerWaalsContact OG-CA 3.23Å; S55-G87 WeakPolarHBondContact OG-CA 3.44Å; S55-C88 VanDerWaalsContact CB-N 3.3Å; S55-C88 PolarHBondContact OG-N 2.89Å; S55-W370 CarbonylContact C-O 3.6Å; S55-W370 VanDerWaalsContact CA-O 3.28Å; S55-W370 WeakPolarHBondContact CA-O 3.36Å; S55-W370 PolarHBondContact OG-O 2.95Å
56L98.8Very high90.5Very high0 Ų042 Ų420%024%0.244CC..EExtended strand (participates in β ladder)trans-144.9140.1-175.2179.4161.3000108.9R14 F15 L18 L33 A34 A35 V53 W370R14-L56 HydrophobicContact CB-CD1 3.92Å; R14-L56 HydrophobicContact CG-CD1 3.73Å; F15-L56 HydrophobicContact CB-CD1 4.08Å; F15-L56 HydrophobicContact CD2-CD2 4.38Å; L18-L56 HydrophobicContact CD1-CD2 3.92Å; L33-L56 HydrophobicContact CD1-CD1 4.07Å; L33-L56 HydrophobicContact CD1-CD2 3.5Å; L33-L56 HydrophobicContact CD1-CG 3.7Å; A34-L56 CarbonylContact O-C 3.55Å; A34-L56 WeakPolarHBondContact O-CA 3.48Å; A35-L56 HydrophobicContact CB-CB 4.39Å; V53-L56 HydrophobicContact CG1-CB 4.32Å; L56-W370 HydrophobicContact CB-CB 4.41Å; L56-W370 HydrophobicContact CB-CE3 4.12Å; L56-W370 PolarHBondContact N-O 3.12Å; L56-W370 PolarHBondContact O-N 3.4Å
57G98.7Very high92.2Very high0 Ų035.9 Ų35.90%022%0.219CC..EExtended strand (participates in β ladder)trans-138.2146.6177.400000112.4L33 A34 A80 I368L33-G57 CarbonylContact C-O 3.09Å; L33-G57 WeakPolarHBondContact CA-O 3.24Å; A34-G57 PolarHBondContact N-O 2.85Å; A34-G57 PolarHBondContact O-N 3Å; G57-A80 WeakPolarHBondContact O-CB 3.39Å; G57-I368 CarbonylContact C-O 3.6Å; G57-I368 WeakPolarHBondContact CA-O 3.28Å
58T98.8Very high93.8Very high1 Ų132.4 Ų32.41%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-120.5163.7164.365.90000111.7F15 L32 L33 A367 I368F15-T58 HydrophobicContact CD2-CG2 4.02Å; F15-T58 HydrophobicContact CE2-CG2 3.69Å; L32-T58 WeakPolarHBondContact O-CA 3.21Å; L32-T58 VanDerWaalsContact O-CB 3.26Å; L32-T58 WeakPolarHBondContact O-CB 3.49Å; L33-T58 HydrophobicContact CB-CG2 4.47Å; L33-T58 HydrophobicContact CD1-CG2 3.53Å; T58-A367 WeakPolarHBondContact O-CA 3.5Å; T58-A367 WeakPolarHBondContact O-CB 3.39Å; T58-I368 PolarHBondContact N-O 3.2Å; T58-I368 WeakPolarHBondContact OG1-CB 3.2Å; T58-I368 PolarHBondContact OG1-N 2.77Å
59G97.6Very high94.8Very high1 Ų130.9 Ų30.91%0.0118%0.178CC..  trans124.7168169.600000114.1S31 L32 S78 H79 A80S31-G59 WeakPolarHBondContact OG-CA 3.43Å; S31-G59 PolarHBondContact OG-N 3.49Å; L32-G59 PolarHBondContact O-N 3.14Å; L32-G59 VanDerWaalsContact O-N 3.14Å; G59-S78 CarbonylContact C-O 3.45Å; G59-S78 VanDerWaalsContact CA-O 3.24Å; G59-S78 WeakPolarHBondContact CA-O 3.27Å; G59-H79 CarbonylContact O-C 3.42Å; G59-H79 WeakPolarHBondContact O-CA 3.44Å; G59-A80 PolarHBondContact O-N 2.91Å
60T95.5Very high95.2Very high25 Ų2531.8 Ų31.815%0.15319%0.189CC..EExtended strand (participates in β ladder)trans-146.716.2-164.354.10000113W30 L32 S78 H79W30-T60 HydrophobicContact CE3-CG2 4.34Å; W30-T60 HydrophobicContact CH2-CG2 4.44Å; W30-T60 HydrophobicContact CZ3-CG2 3.73Å; L32-T60 HydrophobicContact CB-CG2 4.1Å; L32-T60 HydrophobicContact CD1-CG2 4.14Å; L32-T60 HydrophobicContact CG-CG2 3.74Å; T60-S78 PolarHBondContact N-O 2.81Å; T60-H79 VanDerWaalsContact C-CD2 3.5Å; T60-H79 PolarHBondContact O-NE2 2.94Å
61K93.8Very high95.4Very high73 Ų7330.3 Ų30.332%0.31719%0.191SC..EExtended strand (participates in β ladder)trans-129.2153.4-165.3-68.1175.6-178.9168.60112.5S78 A363 C364K61-S78 CarbonylContact O-C 3.37Å; K61-S78 WeakPolarHBondContact O-CA 3.35Å; K61-S78 WeakPolarHBondContact O-CB 3.21Å; K61-S78 PolarHBondContact O-N 2.92Å; K61-A363 WeakPolarHBondContact CE-O 3.31Å; K61-A363 PolarHBondContact NZ-O 2.82Å; K61-C364 VanDerWaalsContact CE-O 3.29Å; K61-C364 WeakPolarHBondContact CE-O 3.38Å; K61-C364 VanDerWaalsContact NZ-C 3.26Å; K61-C364 PolarHBondContact NZ-O 2.86Å
62C93.8Very high95.4Very high12 Ų1229.1 Ų29.18%0.08119%0.185CC..EExtended strand (participates in β ladder)trans-131.1157.3173.3-69.10000110.2D77 K257 T264C62-D77 PolarHBondContact SG-OD1 3.18Å; C62-K257 WeakPolarHBondContact SG-CD 3.48Å; C62-T264 HydrophobicContact CB-CG2 3.95Å
63V92.9Very high95.3Very high11 Ų1127.2 Ų27.27%0.06718%0.177CC..  trans-82.3147.6171.4-470000110.2A67 M68 V74 N76 T264V63-A67 HydrophobicContact CB-CB 4.12Å; V63-A67 HydrophobicContact CG2-CB 4.41Å; V63-M68 HydrophobicContact CG2-CG 4.08Å; V63-V74 HydrophobicContact CG1-CG1 4.19Å; V63-V74 HydrophobicContact CG2-CG1 4.37Å; V63-N76 HydrophobicContact CG2-CB 4.15Å; V63-N76 PolarHBondContact N-O 2.74Å; V63-N76 VanDerWaalsContact N-O 3.09Å; V63-T264 WeakPolarHBondContact O-CB 3.19Å; V63-T264 PolarHBondContact O-OG1 3.44Å
64G91.8Very high95.2Very high9 Ų927.1 Ų27.19%0.09318%0.176CC..  trans-67.7161.2171.200000112.2A66 A67 E262G64-A66 VanDerWaalsContact C-N 3.34Å; G64-A66 PolarHBondContact O-N 3.28Å; G64-A67 PolarHBondContact O-N 2.78Å; G64-E262 VanDerWaalsContact CA-OE2 3.27Å; G64-E262 WeakPolarHBondContact CA-OE2 3.4Å
65K89.6Confident95.1Very high128 Ų12827.3 Ų27.356%0.55718%0.177SC*.G310 helixtrans-54-43.9-178.6179.3-170.4173-1670113A67 M68 E262 P263 L265K65-A67 PolarHBondContact O-N 2.93Å; K65-M68 WeakPolarHBondContact O-CB 3.48Å; K65-M68 WeakPolarHBondContact O-CG 3.19Å; K65-M68 PolarHBondContact O-N 3.07Å; K65-E262 WeakPolarHBondContact CB-OE1 3.36Å; K65-E262 PolarHBondContact N-OE2 2.77Å; K65-P263 PolarHBondContact N-O 2.88Å; K65-L265 HydrophobicContact CB-CG 4.46Å; K65-L265 HydrophobicContact CD-CD2 4.49Å; K65-L265 HydrophobicContact CG-CD1 4.26Å; K65-L265 HydrophobicContact CG-CG 4.23Å
66A90.1Very high95Very high89 Ų8928.4 Ų28.474%0.73618%0.182SC*.G310 helixtrans-68.1-17.2178.900000113.9G64 E262G64-A66 VanDerWaalsContact C-N 3.34Å; G64-A66 PolarHBondContact O-N 3.28Å; A66-E262 WeakPolarHBondContact CB-OE1 3.26Å; A66-E262 WeakPolarHBondContact CB-OE2 3.42Å; A66-E262 VanDerWaalsContact N-CD 3.25Å; A66-E262 PolarHBondContact N-OE1 3.01Å; A66-E262 PolarHBondContact N-OE2 3.07Å
67A91.1Very high94.9Very high54 Ų5428.8 Ų28.845%0.44619%0.185SC..G310 helixtrans-944.6175.600000113.3V63 G64 K65V63-A67 HydrophobicContact CB-CB 4.12Å; V63-A67 HydrophobicContact CG2-CB 4.41Å; G64-A67 PolarHBondContact O-N 2.78Å; K65-A67 PolarHBondContact O-N 2.93Å
68M93.3Very high94.8Very high26 Ų2629.2 Ų29.213%0.12819%0.188CC..  trans-79.8122.3176.7-62.3176.176.700110.8V63 K65 N76 L265 L468V63-M68 HydrophobicContact CG2-CG 4.08Å; K65-M68 WeakPolarHBondContact O-CB 3.48Å; K65-M68 WeakPolarHBondContact O-CG 3.19Å; K65-M68 PolarHBondContact O-N 3.07Å; M68-N76 WeakPolarHBondContact CE-ND2 3.45Å; M68-L265 HydrophobicContact CE-CB 4.03Å; M68-L265 HydrophobicContact CE-CD1 4.13Å; M68-L265 HydrophobicContact CE-CG 4.41Å; M68-L265 HydrophobicContact SD-CB 3.95Å; M68-L265 HydrophobicContact SD-CD1 3.8Å; M68-L265 HydrophobicContact SD-CG 3.84Å; M68-L468 HydrophobicContact CB-CD1 4.46Å; M68-L468 HydrophobicContact CB-CD2 4.21Å; M68-L468 HydrophobicContact CE-CD1 3.85Å; M68-L468 HydrophobicContact SD-CD1 4.44Å
69S94.9Very high94.8Very high23 Ų2329.9 Ų29.916%0.16119%0.191CC..  trans-84.2136.9-179.1174.40000114.2A71 G72 D73S69-A71 PolarHBondContact OG-N 2.88Å; S69-G72 PolarHBondContact O-N 2.84Å; S69-D73 WeakPolarHBondContact CB-OD1 3.48Å; S69-D73 PolarHBondContact OG-OD1 2.88Å
70A96Very high94.8Very high56 Ų5629.8 Ų29.846%0.46319%0.19SC..THydrogen-bonded Turntrans-69.5-31.6168.100000112.8G72 F471A70-G72 PolarHBondContact O-N 3.2Å; A70-F471 WeakPolarHBondContact O-CD1 3.41Å
71A96.1Very high95Very high49 Ų4928.7 Ų28.741%0.40518%0.183SC..THydrogen-bonded Turntrans-73.3-3.6174.300000113.4S69 D73S69-A71 PolarHBondContact OG-N 2.88Å; A71-D73 PolarHBondContact O-N 3.04Å; A71-D73 VanDerWaalsContact O-N 3.11Å
72G96.6Very high95.2Very high0 Ų025.7 Ų25.70%017%0.171CC..SBendtrans70.54.7177.300000115.4S69 A70 V74 K405 L406S69-G72 PolarHBondContact O-N 2.84Å; A70-G72 PolarHBondContact O-N 3.2Å; G72-V74 VanDerWaalsContact C-N 3.34Å; G72-V74 PolarHBondContact O-N 3.03Å; G72-K405 WeakPolarHBondContact O-CA 3.47Å; G72-K405 VanDerWaalsContact O-CB 3.31Å; G72-K405 WeakPolarHBondContact O-CB 3.4Å; G72-K405 PolarHBondContact O-N 3.43Å; G72-L406 PolarHBondContact O-N 2.85Å; G72-L406 VanDerWaalsContact O-N 3.11Å
73D96.6Very high95.4Very high10 Ų1025.1 Ų25.15%0.05317%0.167CC..  trans-79.6-13.3-172.973.5-42.5000114.2S69 A71 R400 C404 L406S69-D73 WeakPolarHBondContact CB-OD1 3.48Å; S69-D73 PolarHBondContact OG-OD1 2.88Å; A71-D73 PolarHBondContact O-N 3.04Å; A71-D73 VanDerWaalsContact O-N 3.11Å; D73-R400 HydrophobicContact CB-CG 3.94Å; D73-C404 WeakPolarHBondContact O-CB 3.17Å; D73-L406 HydrophobicContact CB-CD2 4.12Å
74V96.1Very high95.7Very high2 Ų224.6 Ų24.61%0.01216%0.164CC..SBendtrans-89.8138174.8177.80000112.1V63 G72 N76 Y385V63-V74 HydrophobicContact CG1-CG1 4.19Å; V63-V74 HydrophobicContact CG2-CG1 4.37Å; G72-V74 VanDerWaalsContact C-N 3.34Å; G72-V74 PolarHBondContact O-N 3.03Å; V74-N76 PolarHBondContact O-N 2.82Å; V74-N76 PolarHBondContact O-OD1 3.26Å; V74-Y385 HydrophobicContact CG2-CE1 3.77Å; V74-Y385 HydrophobicContact CG2-CE2 4.18Å; V74-Y385 VanDerWaalsContact CG2-CZ 3.49Å; V74-Y385 VanDerWaalsContact CG2-OH 3.28Å; V74-Y385 WeakPolarHBondContact CG2-OH 3.5Å
75L96.4Very high96.1Very high4 Ų425.8 Ų25.82%0.02117%0.166CC..  trans-87.798.5170.1178.454.9000110.9D77 I83 T381 G384L75-D77 VanDerWaalsContact C-N 3.31Å; L75-D77 PolarHBondContact O-N 2.91Å; L75-I83 HydrophobicContact CD2-CD1 3.64Å; L75-I83 HydrophobicContact CG-CD1 4.43Å; L75-T381 HydrophobicContact CD2-CG2 4.17Å; L75-G384 WeakPolarHBondContact CB-O 3.25Å; L75-G384 PolarHBondContact N-O 2.98Å; L75-G384 VanDerWaalsContact O-CA 3.24Å; L75-G384 WeakPolarHBondContact O-CA 3.29Å
76N95.6Very high96.5Very high23 Ų2321.6 Ų21.612%0.12315%0.146CC..  trans-68.5-22.3-169.7-65-5.3000115.8V63 M68 V74V63-N76 HydrophobicContact CG2-CB 4.15Å; V63-N76 PolarHBondContact N-O 2.74Å; V63-N76 VanDerWaalsContact N-O 3.09Å; M68-N76 WeakPolarHBondContact CE-ND2 3.45Å; V74-N76 PolarHBondContact O-N 2.82Å; V74-N76 PolarHBondContact O-OD1 3.26Å
77D96.9Very high96.9Very high8 Ų817.3 Ų17.34%0.04311%0.111CC..EExtended strand (participates in β ladder)trans-142.2117.6-174.2-172.7-16.8000108.9C62 L75 H79 V82 K257 K272C62-D77 PolarHBondContact SG-OD1 3.18Å; L75-D77 VanDerWaalsContact C-N 3.31Å; L75-D77 PolarHBondContact O-N 2.91Å; D77-H79 WeakPolarHBondContact OD1-CB 3.32Å; D77-H79 IonicContact OD1-CD2 2.88Å; D77-H79 PolarHBondContact OD1-CD2 3.48Å; D77-H79 IonicContact OD1-CG 3.16Å; D77-H79 PolarHBondContact OD1-N 3.01Å; D77-V82 HydrophobicContact CB-CG1 4.07Å; D77-K257 IonicContact OD1-NZ 3.49Å; D77-K257 PolarHBondContact OD1-NZ 2.86Å; D77-K257 IonicContact OD2-NZ 3.32Å; D77-K257 PolarHBondContact OD2-NZ 3.14Å; D77-K272 IonicContact OD2-NZ 3.42Å; D77-K272 PolarHBondContact OD2-NZ 2.94Å
78S97.2Very high97.3Very high9 Ų914.8 Ų14.86%0.0639%0.09CC..EExtended strand (participates in β ladder)trans-117.834.4-177.8-59.80000111G59 T60 K61G59-S78 CarbonylContact C-O 3.45Å; G59-S78 VanDerWaalsContact CA-O 3.24Å; G59-S78 WeakPolarHBondContact CA-O 3.27Å; T60-S78 PolarHBondContact N-O 2.81Å; K61-S78 CarbonylContact O-C 3.37Å; K61-S78 WeakPolarHBondContact O-CA 3.35Å; K61-S78 WeakPolarHBondContact O-CB 3.21Å; K61-S78 PolarHBondContact O-N 2.92Å
79H97.9Very high97.6Very high15 Ų1514.4 Ų14.47%0.0699%0.088CC..EExtended strand (participates in β ladder)trans-74.4142.4161.4-84.4-121.2000111.4G59 T60 D77 E81 V82 I83 K257G59-H79 CarbonylContact O-C 3.42Å; G59-H79 WeakPolarHBondContact O-CA 3.44Å; T60-H79 VanDerWaalsContact C-CD2 3.5Å; T60-H79 PolarHBondContact O-NE2 2.94Å; D77-H79 WeakPolarHBondContact OD1-CB 3.32Å; D77-H79 IonicContact OD1-CD2 2.88Å; D77-H79 PolarHBondContact OD1-CD2 3.48Å; D77-H79 IonicContact OD1-CG 3.16Å; D77-H79 PolarHBondContact OD1-N 3.01Å; H79-E81 VanDerWaalsContact C-N 3.33Å; H79-E81 WeakPolarHBondContact CB-OE2 3.3Å; H79-E81 PolarHBondContact O-N 3.17Å; H79-V82 HydrophobicContact CB-CG2 4.45Å; H79-V82 PolarHBondContact O-N 3.19Å; H79-I83 WeakPolarHBondContact O-CG1 3.48Å; H79-I83 PolarHBondContact O-N 3.49Å; H79-K257 PolarHBondContact CD2-NZ 2.92Å
80A98.7Very high97.7Very high0 Ų014.7 Ų14.70%09%0.086CC..Hα-helixtrans-44.7-50.3-178.200000114.3L32 A34 G57 G59 V82 I83 A84L32-A80 HydrophobicContact CB-CB 4.13Å; A34-A80 HydrophobicContact CB-CB 3.79Å; G57-A80 WeakPolarHBondContact O-CB 3.39Å; G59-A80 PolarHBondContact O-N 2.91Å; A80-V82 VanDerWaalsContact C-N 3.29Å; A80-V82 PolarHBondContact O-N 3.44Å; A80-I83 PolarHBondContact O-N 2.97Å; A80-A84 WeakPolarHBondContact O-CB 3.24Å; A80-A84 PolarHBondContact O-N 3.44Å
81E98.8Very high97.9Very high1 Ų112.2 Ų12.21%0.0056%0.064CC..Hα-helixtrans-66.5-33-176.8-40.794121.800111.8A34 H79 R85 C269A34-E81 HydrophobicContact CB-CB 4.3Å; A34-E81 HydrophobicContact CB-CG 4.11Å; H79-E81 VanDerWaalsContact C-N 3.33Å; H79-E81 WeakPolarHBondContact CB-OE2 3.3Å; H79-E81 PolarHBondContact O-N 3.17Å; E81-R85 WeakPolarHBondContact O-CB 3.49Å; E81-R85 PolarHBondContact O-N 3.46Å; E81-C269 HydrophobicContact CG-CB 4.4Å; E81-C269 WeakPolarHBondContact OE1-CB 3.38Å; E81-C269 PolarHBondContact OE1-SG 3.22Å; E81-C269 PolarHBondContact OE2-SG 3.12Å
82V98.8Very high98Very high11 Ų119.9 Ų9.97%0.0675%0.045CC..Hα-helixtrans-77.7-36.4177.8-178.60000110.9D77 H79 A80 R86 K272 W276D77-V82 HydrophobicContact CB-CG1 4.07Å; H79-V82 HydrophobicContact CB-CG2 4.45Å; H79-V82 PolarHBondContact O-N 3.19Å; A80-V82 VanDerWaalsContact C-N 3.29Å; A80-V82 PolarHBondContact O-N 3.44Å; V82-R86 WeakPolarHBondContact O-CB 3.45Å; V82-R86 WeakPolarHBondContact O-CG 3.42Å; V82-R86 PolarHBondContact O-N 3.32Å; V82-R86 VanDerWaalsContact O-N 3.12Å; V82-K272 HydrophobicContact CG2-CD 3.99Å; V82-W276 HydrophobicContact CG2-CH2 4.42Å
83I98.8Very high98.1Very high0 Ų010.3 Ų10.30%05%0.047CC..Hα-helixtrans-63.7-52.6171.9-64.6-61.9000110.7L75 H79 A80 R85 R86 G87 L403L75-I83 HydrophobicContact CD2-CD1 3.64Å; L75-I83 HydrophobicContact CG-CD1 4.43Å; H79-I83 WeakPolarHBondContact O-CG1 3.48Å; H79-I83 PolarHBondContact O-N 3.49Å; A80-I83 PolarHBondContact O-N 2.97Å; I83-R85 VanDerWaalsContact C-N 3.31Å; I83-R85 PolarHBondContact O-N 2.92Å; I83-R86 PolarHBondContact O-N 3.47Å; I83-G87 PolarHBondContact O-N 3.06Å; I83-L403 HydrophobicContact CG2-CD1 4.15Å
84A98.9Very high98.2Very high0 Ų012.8 Ų12.80%06%0.059CC..Hα-helixtrans-58-41.9-178.700000111.9A34 V36 S55 A80 R86 C88A34-A84 HydrophobicContact CB-CB 4.18Å; V36-A84 HydrophobicContact CG2-CB 4.45Å; S55-A84 WeakPolarHBondContact CB-O 3.26Å; S55-A84 PolarHBondContact OG-O 3.1Å; A80-A84 WeakPolarHBondContact O-CB 3.24Å; A80-A84 PolarHBondContact O-N 3.44Å; A84-R86 PolarHBondContact O-N 3.05Å; A84-C88 VanDerWaalsContact O-CB 3.3Å; A84-C88 WeakPolarHBondContact O-CB 3.47Å; A84-C88 PolarHBondContact O-N 2.77Å
85R98.9Very high98.3Very high34 Ų3414.5 Ų14.513%0.1287%0.067CC..Hα-helixtrans-61.5-42.7171.5177179.8169.5-106.3-9.2112.7E81 I83 C88 I89 W276 F281E81-R85 WeakPolarHBondContact O-CB 3.49Å; E81-R85 PolarHBondContact O-N 3.46Å; I83-R85 VanDerWaalsContact C-N 3.31Å; I83-R85 PolarHBondContact O-N 2.92Å; R85-C88 WeakPolarHBondContact O-CB 3.33Å; R85-C88 PolarHBondContact O-N 3.48Å; R85-I89 HydrophobicContact CG-CD1 4.1Å; R85-I89 WeakPolarHBondContact O-CG1 3.38Å; R85-I89 PolarHBondContact O-N 2.79Å; R85-W276 HydrophobicContact CB-CH2 4.04Å; R85-W276 HydrophobicContact CB-CZ3 4.14Å; R85-W276 VanDerWaalsContact CD-CH2 3.42Å; R85-W276 HydrophobicContact CG-CH2 4.36Å; R85-W276 HydrophobicContact CG-CZ2 4.47Å; R85-W276 HydrophobicContact CG-CZ3 4.45Å; R85-F281 HydrophobicContact CG-CB 4.32Å; R85-F281 PolarHBondContact NE-O 2.69Å; R85-F281 PolarHBondContact NH2-O 3.4Å
86R98.9Very high98.4Very high39 Ų3914.3 Ų14.315%0.1477%0.066CC..Hα-helixtrans-71.4-37.1-176.4-71.6176.978.273.86.2112.1V82 I83 A84 I89 R90 L403 C404 L408V82-R86 WeakPolarHBondContact O-CB 3.45Å; V82-R86 WeakPolarHBondContact O-CG 3.42Å; V82-R86 PolarHBondContact O-N 3.32Å; V82-R86 VanDerWaalsContact O-N 3.12Å; I83-R86 PolarHBondContact O-N 3.47Å; A84-R86 PolarHBondContact O-N 3.05Å; R86-I89 PolarHBondContact O-N 3.1Å; R86-R90 PolarHBondContact O-N 3Å; R86-R90 VanDerWaalsContact O-N 3.13Å; R86-L403 HydrophobicContact CB-CB 4.21Å; R86-L403 HydrophobicContact CB-CD1 4.13Å; R86-L403 PolarHBondContact NE-O 2.79Å; R86-L403 PolarHBondContact NH2-O 3.12Å; R86-C404 PolarHBondContact NH2-O 3.04Å; R86-L408 HydrophobicContact CB-CD1 4.37Å
87G98.8Very high98.5Very high0 Ų016.9 Ų16.90%08%0.077CC..Hα-helixtrans-66.2-37.9169.600000112.2S55 I83 R90 Y91 C371S55-G87 VanDerWaalsContact OG-C 3.22Å; S55-G87 VanDerWaalsContact OG-CA 3.23Å; S55-G87 WeakPolarHBondContact OG-CA 3.44Å; I83-G87 PolarHBondContact O-N 3.06Å; G87-R90 WeakPolarHBondContact O-CB 3.49Å; G87-R90 PolarHBondContact O-N 3.31Å; G87-Y91 PolarHBondContact O-N 2.87Å; G87-C371 WeakPolarHBondContact O-CB 3.49Å
88C98.9Very high98.5Very high0 Ų017.2 Ų17.20%08%0.082CC..Hα-helixtrans-61.5-44171.6-174.70000111.8V36 S55 A84 R85 R90 Y91 L92 F281V36-C88 HydrophobicContact CB-CB 4.04Å; V36-C88 HydrophobicContact CG1-CB 4.24Å; V36-C88 HydrophobicContact CG2-CB 3.93Å; S55-C88 VanDerWaalsContact CB-N 3.3Å; S55-C88 PolarHBondContact OG-N 2.89Å; A84-C88 VanDerWaalsContact O-CB 3.3Å; A84-C88 WeakPolarHBondContact O-CB 3.47Å; A84-C88 PolarHBondContact O-N 2.77Å; R85-C88 WeakPolarHBondContact O-CB 3.33Å; R85-C88 PolarHBondContact O-N 3.48Å; C88-R90 VanDerWaalsContact C-N 3.28Å; C88-R90 PolarHBondContact O-N 3.05Å; C88-Y91 CarbonylContact O-C 3.54Å; C88-Y91 WeakPolarHBondContact O-CA 3.31Å; C88-Y91 WeakPolarHBondContact O-CB 3.09Å; C88-Y91 PolarHBondContact O-N 3.15Å; C88-Y91 VanDerWaalsContact O-N 3.09Å; C88-L92 WeakPolarHBondContact O-CG 3.43Å; C88-L92 PolarHBondContact O-N 3.03Å; C88-F281 VanDerWaalsContact SG-CE2 3.55Å
89I98.9Very high98.5Very high18 Ų1817.1 Ų17.19%0.0928%0.082CC..Hα-helixtrans-57.1-41.1173.8-71.9165.3000111.5R85 R86 L92 I93 L286 L408R85-I89 HydrophobicContact CG-CD1 4.1Å; R85-I89 WeakPolarHBondContact O-CG1 3.38Å; R85-I89 PolarHBondContact O-N 2.79Å; R86-I89 PolarHBondContact O-N 3.1Å; I89-L92 PolarHBondContact O-N 2.88Å; I89-I93 HydrophobicContact CG2-CD1 3.98Å; I89-I93 VanDerWaalsContact O-CG1 3.29Å; I89-I93 WeakPolarHBondContact O-CG1 3.39Å; I89-I93 PolarHBondContact O-N 2.84Å; I89-L286 HydrophobicContact CB-CD1 4.48Å; I89-L286 HydrophobicContact CG1-CD1 4.45Å; I89-L286 HydrophobicContact CG2-CD1 4.02Å; I89-L408 HydrophobicContact CG2-CD1 4.37Å
90R98.7Very high98.5Very high29 Ų2917.9 Ų17.911%0.1099%0.088CC..Hα-helixtrans-63.5-41.3175.2-170.7175.2171.3-126.4-5.8112.2R86 G87 C88 I93 Q94 D375 Q376 L403 L408R86-R90 PolarHBondContact O-N 3Å; R86-R90 VanDerWaalsContact O-N 3.13Å; G87-R90 WeakPolarHBondContact O-CB 3.49Å; G87-R90 PolarHBondContact O-N 3.31Å; C88-R90 VanDerWaalsContact C-N 3.28Å; C88-R90 PolarHBondContact O-N 3.05Å; R90-I93 PolarHBondContact O-N 2.9Å; R90-Q94 PolarHBondContact O-N 2.87Å; R90-Q94 VanDerWaalsContact O-N 3.12Å; R90-D375 PolarHBondContact NH2-O 3.32Å; R90-Q376 PolarHBondContact NH1-O 2.98Å; R90-L403 HydrophobicContact CB-CD2 4.17Å; R90-L408 HydrophobicContact CB-CD2 3.82Å; R90-L408 HydrophobicContact CG-CD2 4.28Å
91Y98.8Very high98.4Very high4 Ų420.4 Ų20.42%0.01611%0.105CC..Hα-helixtrans-60.6-48.3172.4164.6-108.8000112.1V54 G87 C88 I93 Q94 E95 L107 F125 N372V54-Y91 HydrophobicContact CB-CD1 3.82Å; V54-Y91 HydrophobicContact CB-CE1 3.72Å; V54-Y91 HydrophobicContact CB-CG 4.28Å; V54-Y91 HydrophobicContact CG1-CD1 4.33Å; V54-Y91 HydrophobicContact CG1-CE1 3.71Å; V54-Y91 HydrophobicContact CG1-CE2 4.39Å; V54-Y91 HydrophobicContact CG2-CD1 3.99Å; V54-Y91 HydrophobicContact CG2-CE1 3.98Å; G87-Y91 PolarHBondContact O-N 2.87Å; C88-Y91 CarbonylContact O-C 3.54Å; C88-Y91 WeakPolarHBondContact O-CA 3.31Å; C88-Y91 WeakPolarHBondContact O-CB 3.09Å; C88-Y91 PolarHBondContact O-N 3.15Å; C88-Y91 VanDerWaalsContact O-N 3.09Å; Y91-I93 VanDerWaalsContact C-N 3.3Å; Y91-I93 PolarHBondContact O-N 3.37Å; Y91-Q94 WeakPolarHBondContact O-CB 3.04Å; Y91-Q94 PolarHBondContact O-N 3.46Å; Y91-Q94 VanDerWaalsContact O-N 3.11Å; Y91-E95 HydrophobicContact CD2-CG 3.98Å; Y91-E95 HydrophobicContact CE1-CG 4.34Å; Y91-E95 HydrophobicContact CE2-CG 3.48Å; Y91-E95 VanDerWaalsContact CE2-CG 3.48Å; Y91-E95 PolarHBondContact O-N 3.02Å; Y91-L107 HydrophobicContact CE1-CD2 3.74Å; Y91-F125 HydrophobicContact CE1-CE1 4.4Å; Y91-N372 HydrophobicContact CD2-CB 4.19Å; Y91-N372 VanDerWaalsContact CD2-O 3.32Å; Y91-N372 WeakPolarHBondContact CD2-O 3.46Å; Y91-N372 HydrophobicContact CE2-CB 4.39Å
92L98.8Very high98.1Very high0 Ų023.7 Ų23.70%014%0.139CC..Hα-helixtrans-60.6-37.5177.3-61.7-172.5000112.8C88 I89 E95 L96 L107 F108 F125 F281 Q282 L286 L294C88-L92 WeakPolarHBondContact O-CG 3.43Å; C88-L92 PolarHBondContact O-N 3.03Å; I89-L92 PolarHBondContact O-N 2.88Å; L92-E95 PolarHBondContact O-N 3.17Å; L92-L96 PolarHBondContact O-N 3.39Å; L92-L107 HydrophobicContact CD2-CD2 3.67Å; L92-F108 HydrophobicContact CB-CZ 4.44Å; L92-F108 HydrophobicContact CD2-CE2 4.42Å; L92-F108 HydrophobicContact CD2-CZ 4Å; L92-F125 HydrophobicContact CD2-CE1 4.41Å; L92-F125 HydrophobicContact CD2-CE2 4.24Å; L92-F125 HydrophobicContact CD2-CZ 3.65Å; L92-F281 HydrophobicContact CD1-CE2 3.75Å; L92-F281 HydrophobicContact CD1-CZ 4.33Å; L92-Q282 HydrophobicContact CD1-CB 4.47Å; L92-L286 HydrophobicContact CB-CD1 3.72Å; L92-L286 HydrophobicContact CD1-CD1 3.82Å; L92-L286 HydrophobicContact CG-CD1 4.39Å; L92-L294 HydrophobicContact CD1-CD1 3.58Å
93I98.7Very high97.8Very high9 Ų932.3 Ų32.35%0.04617%0.171CC..Hα-helixtrans-63.9-43.4175-68.4165.9000110.5I89 R90 Y91 H97 L286 S411 F412 L415I89-I93 HydrophobicContact CG2-CD1 3.98Å; I89-I93 VanDerWaalsContact O-CG1 3.29Å; I89-I93 WeakPolarHBondContact O-CG1 3.39Å; I89-I93 PolarHBondContact O-N 2.84Å; R90-I93 PolarHBondContact O-N 2.9Å; Y91-I93 VanDerWaalsContact C-N 3.3Å; Y91-I93 PolarHBondContact O-N 3.37Å; I93-H97 VanDerWaalsContact O-CB 3.27Å; I93-H97 WeakPolarHBondContact O-CB 3.48Å; I93-H97 PolarHBondContact O-N 3Å; I93-L286 HydrophobicContact CG1-CD1 4.39Å; I93-L286 HydrophobicContact CG1-CD2 3.69Å; I93-L286 HydrophobicContact CG1-CG 4.23Å; I93-S411 VanDerWaalsContact CG2-O 3.29Å; I93-S411 WeakPolarHBondContact CG2-O 3.04Å; I93-F412 HydrophobicContact CD1-CB 4.4Å; I93-L415 HydrophobicContact CG2-CB 4.26Å; I93-L415 HydrophobicContact CG2-CD2 4.48Å
94Q98.2Very high97.4Very high63 Ų6344.4 Ų44.429%0.29422%0.216SC..Hα-helixtrans-63.2-45.2176.2-172.9-162.9-101.900111.8R90 Y91 L96 H97 G98 V373R90-Q94 PolarHBondContact O-N 2.87Å; R90-Q94 VanDerWaalsContact O-N 3.12Å; Y91-Q94 WeakPolarHBondContact O-CB 3.04Å; Y91-Q94 PolarHBondContact O-N 3.46Å; Y91-Q94 VanDerWaalsContact O-N 3.11Å; Q94-L96 PolarHBondContact O-N 3.36Å; Q94-H97 WeakPolarHBondContact O-CB 3.5Å; Q94-H97 PolarHBondContact O-N 3.32Å; Q94-H97 VanDerWaalsContact O-N 3.17Å; Q94-G98 PolarHBondContact O-N 3.14Å; Q94-V373 HydrophobicContact CB-CG1 4.18Å; Q94-V373 VanDerWaalsContact OE1-CA 3.23Å; Q94-V373 VanDerWaalsContact OE1-CB 3.23Å
95E98.4Very high97.1Very high37 Ų3745.3 Ų45.317%0.17322%0.223CC..Hα-helixtrans-64.9-39.3-179-72.9-60.6109.800112.3Y91 L92 A99 L107 F108Y91-E95 HydrophobicContact CD2-CG 3.98Å; Y91-E95 HydrophobicContact CE1-CG 4.34Å; Y91-E95 HydrophobicContact CE2-CG 3.48Å; Y91-E95 VanDerWaalsContact CE2-CG 3.48Å; Y91-E95 PolarHBondContact O-N 3.02Å; L92-E95 PolarHBondContact O-N 3.17Å; E95-A99 WeakPolarHBondContact O-CB 3.48Å; E95-A99 PolarHBondContact O-N 3Å; E95-A99 VanDerWaalsContact O-N 3.07Å; E95-L107 HydrophobicContact CB-CB 4.48Å; E95-L107 HydrophobicContact CB-CD2 3.9Å; E95-L107 HydrophobicContact CG-CB 4.44Å; E95-L107 HydrophobicContact CG-CD2 3.85Å; E95-F108 HydrophobicContact CB-CD2 3.9Å; E95-F108 HydrophobicContact CB-CE2 3.81Å
96L98.3Very high96.8Very high0 Ų047 Ų470%024%0.24CC..Hα-helixtrans-66.6-39.8170.6-75.7170.6000112.1L92 Q94 G98 A99 V100 F108 W117 L286 Y289 L415L92-L96 PolarHBondContact O-N 3.39Å; Q94-L96 PolarHBondContact O-N 3.36Å; L96-G98 VanDerWaalsContact C-N 3.33Å; L96-G98 PolarHBondContact O-N 2.87Å; L96-A99 PolarHBondContact O-N 3Å; L96-A99 VanDerWaalsContact O-N 3.09Å; L96-V100 WeakPolarHBondContact O-CG2 3.25Å; L96-V100 PolarHBondContact O-N 2.86Å; L96-F108 HydrophobicContact CD1-CE2 4.39Å; L96-F108 HydrophobicContact CD1-CZ 4.43Å; L96-F108 HydrophobicContact CD2-CB 4.31Å; L96-F108 HydrophobicContact CD2-CD1 4.15Å; L96-F108 HydrophobicContact CD2-CD2 3.66Å; L96-F108 HydrophobicContact CD2-CE1 4.38Å; L96-F108 HydrophobicContact CD2-CE2 3.91Å; L96-F108 HydrophobicContact CD2-CG 3.78Å; L96-F108 HydrophobicContact CD2-CZ 4.25Å; L96-F108 HydrophobicContact CG-CD2 3.77Å; L96-F108 HydrophobicContact CG-CE2 3.57Å; L96-F108 HydrophobicContact CG-CG 4.37Å; L96-F108 HydrophobicContact CG-CZ 4.03Å; L96-W117 HydrophobicContact CD2-CB 3.84Å; L96-W117 HydrophobicContact CD2-CD2 4.13Å; L96-W117 HydrophobicContact CD2-CG 3.7Å; L96-L286 HydrophobicContact CD1-CD2 3.66Å; L96-Y289 HydrophobicContact CD1-CG 4.47Å; L96-L415 HydrophobicContact CB-CD1 3.83Å; L96-L415 HydrophobicContact CB-CD2 3.97Å; L96-L415 HydrophobicContact CD1-CD2 4.17Å
97H98.2Very high96.7Very high77 Ų7745.2 Ų45.236%0.35623%0.233SC..Hα-helixtrans-61.7-43.3179.1-170.2-47.1000111I93 Q94 A99 V100 S101 S414 L415 A418I93-H97 VanDerWaalsContact O-CB 3.27Å; I93-H97 WeakPolarHBondContact O-CB 3.48Å; I93-H97 PolarHBondContact O-N 3Å; Q94-H97 WeakPolarHBondContact O-CB 3.5Å; Q94-H97 PolarHBondContact O-N 3.32Å; Q94-H97 VanDerWaalsContact O-N 3.17Å; H97-A99 PolarHBondContact O-N 3.2Å; H97-V100 WeakPolarHBondContact O-CG2 3.49Å; H97-S101 PolarHBondContact ND1-OG 3.45Å; H97-S101 VanDerWaalsContact O-CB 3.24Å; H97-S101 WeakPolarHBondContact O-CB 3.35Å; H97-S101 PolarHBondContact O-N 2.71Å; H97-S101 VanDerWaalsContact O-N 3.12Å; H97-S101 PolarHBondContact O-OG 2.84Å; H97-S414 WeakPolarHBondContact NE2-CB 3.38Å; H97-S414 PolarHBondContact NE2-O 2.96Å; H97-S414 VanDerWaalsContact NE2-O 3.08Å; H97-S414 PolarHBondContact NE2-OG 3.26Å; H97-L415 HydrophobicContact CB-CD1 4.32Å; H97-A418 WeakPolarHBondContact CE1-CB 3.44Å
98G97.5Very high96.7Very high15 Ų1545.3 Ų45.316%0.15523%0.234CC..Hα-helixtrans-58.7-46170.100000112.4Q94 L96 S101 R103Q94-G98 PolarHBondContact O-N 3.14Å; L96-G98 VanDerWaalsContact C-N 3.33Å; L96-G98 PolarHBondContact O-N 2.87Å; G98-S101 CarbonylContact O-C 3.43Å; G98-S101 PolarHBondContact O-N 2.91Å; G98-R103 WeakPolarHBondContact O-CA 2.99Å; G98-R103 WeakPolarHBondContact O-CB 3.49Å; G98-R103 WeakPolarHBondContact O-CG 3.37Å; G98-R103 PolarHBondContact O-N 2.72Å
99A97.2Very high96.6Very high8 Ų849.9 Ų49.97%0.06625%0.251CS..Hα-helixtrans-66.2-44.8-177.100000113.8E95 L96 H97 S101 G102 W117E95-A99 WeakPolarHBondContact O-CB 3.48Å; E95-A99 PolarHBondContact O-N 3Å; E95-A99 VanDerWaalsContact O-N 3.07Å; L96-A99 PolarHBondContact O-N 3Å; L96-A99 VanDerWaalsContact O-N 3.09Å; H97-A99 PolarHBondContact O-N 3.2Å; A99-S101 VanDerWaalsContact C-N 3.28Å; A99-S101 PolarHBondContact O-N 3.23Å; A99-G102 PolarHBondContact O-N 3.27Å; A99-W117 HydrophobicContact CB-CE3 4.12Å; A99-W117 HydrophobicContact CB-CH2 3.67Å; A99-W117 HydrophobicContact CB-CZ2 4.3Å; A99-W117 HydrophobicContact CB-CZ3 3.57Å
100V97.3Very high96.5Very high31 Ų3153.4 Ų53.419%0.18827%0.274CS..Hα-helixtrans-68-30.7175.9-58.70000111.8L96 H97 G102 W117 Y289 L415 A418 T419L96-V100 WeakPolarHBondContact O-CG2 3.25Å; L96-V100 PolarHBondContact O-N 2.86Å; H97-V100 WeakPolarHBondContact O-CG2 3.49Å; V100-G102 PolarHBondContact O-N 2.85Å; V100-G102 VanDerWaalsContact O-N 3.15Å; V100-W117 HydrophobicContact CG1-CZ2 3.8Å; V100-Y289 HydrophobicContact CG1-CE1 4.29Å; V100-L415 HydrophobicContact CG1-CD1 4.19Å; V100-L415 HydrophobicContact CG2-CD1 3.81Å; V100-A418 HydrophobicContact CG2-CB 4.37Å; V100-A418 WeakPolarHBondContact CG2-O 3.4Å; V100-T419 HydrophobicContact CB-CG2 4.49Å; V100-T419 HydrophobicContact CG1-CG2 4.32Å
101S96.3Very high96.4Very high52 Ų5253 Ų5336%0.36428%0.277SS..THydrogen-bonded Turntrans-79.722.5172.8-52.30000113.3H97 G98 A99 R103H97-S101 PolarHBondContact ND1-OG 3.45Å; H97-S101 VanDerWaalsContact O-CB 3.24Å; H97-S101 WeakPolarHBondContact O-CB 3.35Å; H97-S101 PolarHBondContact O-N 2.71Å; H97-S101 VanDerWaalsContact O-N 3.12Å; H97-S101 PolarHBondContact O-OG 2.84Å; G98-S101 CarbonylContact O-C 3.43Å; G98-S101 PolarHBondContact O-N 2.91Å; A99-S101 VanDerWaalsContact C-N 3.28Å; A99-S101 PolarHBondContact O-N 3.23Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 3.36Å
102G92.6Very high96.1Very high70 Ų7059 Ų5972%0.72231%0.31SS*.THydrogen-bonded Turntrans72.45.517400000116.5A99 V100A99-G102 PolarHBondContact O-N 3.27Å; V100-G102 PolarHBondContact O-N 2.85Å; V100-G102 VanDerWaalsContact O-N 3.15Å
103R93.3Very high95.9Very high192 Ų19265.7 Ų65.773%0.72534%0.335SS*.  trans-77.4140.5176.1-52.1-176.2179.8-168.6-1.2110G98 S101 S105G98-R103 WeakPolarHBondContact O-CA 2.99Å; G98-R103 WeakPolarHBondContact O-CB 3.49Å; G98-R103 WeakPolarHBondContact O-CG 3.37Å; G98-R103 PolarHBondContact O-N 2.72Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 3.36Å; R103-S105 PolarHBondContact O-N 3.31Å
104R89.5Confident95.6Very high255 Ų25571.8 Ų71.896%0.96236%0.357SS*.  trans-63109.1174.8-61.9-17572.1-154.92.2109.9
105S92.2Very high95.5Very high19 Ų1969.5 Ų69.513%0.13335%0.35CS..  trans-87131.8174.9-1770000111.5R103 L107 F108 Q120R103-S105 PolarHBondContact O-N 3.31Å; S105-L107 VanDerWaalsContact C-N 3.26Å; S105-L107 PolarHBondContact OG-N 3.23Å; S105-L107 VanDerWaalsContact OG-N 3.11Å; S105-F108 PolarHBondContact OG-N 3.03Å; S105-Q120 PolarHBondContact O-NE2 3.03Å
106S93.6Very high95.4Very high70 Ų7068.6 Ų68.649%0.4935%0.346SS..SBendtrans-80.8-8.2170.1690000113.1R38R38-S106 PolarHBondContact NH1-OG 3.09Å
107L97.1Very high95.4Very high0 Ų070.2 Ų70.20%035%0.352CS..SBendtrans-107.4-42.7-176.9179.859.3000112.6Y91 L92 E95 S105 L119 Q120 V123 F125Y91-L107 HydrophobicContact CE1-CD2 3.74Å; L92-L107 HydrophobicContact CD2-CD2 3.67Å; E95-L107 HydrophobicContact CB-CB 4.48Å; E95-L107 HydrophobicContact CB-CD2 3.9Å; E95-L107 HydrophobicContact CG-CB 4.44Å; E95-L107 HydrophobicContact CG-CD2 3.85Å; S105-L107 VanDerWaalsContact C-N 3.26Å; S105-L107 PolarHBondContact OG-N 3.23Å; S105-L107 VanDerWaalsContact OG-N 3.11Å; L107-L119 HydrophobicContact CD1-CD2 3.75Å; L107-L119 HydrophobicContact CG-CD2 4.19Å; L107-L119 CarbonylContact O-C 3.59Å; L107-L119 WeakPolarHBondContact O-CA 3.46Å; L107-Q120 PolarHBondContact O-N 2.87Å; L107-V123 HydrophobicContact CD1-CG1 3.71Å; L107-F125 HydrophobicContact CD1-CE2 4.18Å; L107-F125 HydrophobicContact CD1-CZ 3.7Å; L107-F125 HydrophobicContact CD2-CZ 4.16Å
108F98Very high95.4Very high3 Ų369 Ų691%0.01335%0.345CS..EExtended strand (participates in β ladder)trans-117.3151.2-173-65.8-65.9000113.3L92 E95 L96 S105 W117 R118 L119 Q120 L290L92-F108 HydrophobicContact CB-CZ 4.44Å; L92-F108 HydrophobicContact CD2-CE2 4.42Å; L92-F108 HydrophobicContact CD2-CZ 4Å; E95-F108 HydrophobicContact CB-CD2 3.9Å; E95-F108 HydrophobicContact CB-CE2 3.81Å; L96-F108 HydrophobicContact CD1-CE2 4.39Å; L96-F108 HydrophobicContact CD1-CZ 4.43Å; L96-F108 HydrophobicContact CD2-CB 4.31Å; L96-F108 HydrophobicContact CD2-CD1 4.15Å; L96-F108 HydrophobicContact CD2-CD2 3.66Å; L96-F108 HydrophobicContact CD2-CE1 4.38Å; L96-F108 HydrophobicContact CD2-CE2 3.91Å; L96-F108 HydrophobicContact CD2-CG 3.78Å; L96-F108 HydrophobicContact CD2-CZ 4.25Å; L96-F108 HydrophobicContact CG-CD2 3.77Å; L96-F108 HydrophobicContact CG-CE2 3.57Å; L96-F108 HydrophobicContact CG-CG 4.37Å; L96-F108 HydrophobicContact CG-CZ 4.03Å; S105-F108 PolarHBondContact OG-N 3.03Å; F108-W117 HydrophobicContact CB-CE3 3.94Å; F108-R118 WeakPolarHBondContact CA-O 3.1Å; F108-L119 HydrophobicContact CD1-CD2 3.96Å; F108-L119 HydrophobicContact CE1-CD2 3.6Å; F108-L119 HydrophobicContact CZ-CD2 4.4Å; F108-Q120 PolarHBondContact O-NE2 2.82Å; F108-Q120 VanDerWaalsContact O-NE2 3.13Å; F108-L290 HydrophobicContact CD1-CD2 4.11Å; F108-L290 HydrophobicContact CE1-CD2 3.48Å; F108-L290 VanDerWaalsContact CE1-CD2 3.48Å; F108-L290 HydrophobicContact CZ-CD2 4.19Å
109R96.9Very high95.4Very high96 Ų9669.9 Ų69.936%0.36235%0.345SS..EExtended strand (participates in β ladder)trans-132.5154.9167.559.2178.5-179.6120.8-2.4110.4W117 R118 L119R109-W117 VanDerWaalsContact O-CA 3.3Å; R109-W117 WeakPolarHBondContact O-CA 3.24Å; R109-R118 HydrophobicContact CG-CB 4.48Å; R109-R118 PolarHBondContact N-O 3.45Å; R109-R118 PolarHBondContact O-N 3.07Å; R109-L119 PolarHBondContact NE-O 2.93Å
110P97Very high95.4Very high91 Ų9172.4 Ų72.459%0.59136%0.356SS*.EExtended strand (participates in β ladder)trans-53.5148.4168-24.535.1000111.1W117P110-W117 HydrophobicContact CG-CE3 4.48Å; P110-W117 HydrophobicContact CG-CH2 4.16Å; P110-W117 HydrophobicContact CG-CZ3 3.95Å
111A96.6Very high95.3Very high20 Ų2075.5 Ų75.517%0.16538%0.376CS..  trans-114.8-178.3179.900000111.2R113 K116 R118 E291A111-R113 PolarHBondContact O-N 3.44Å; A111-K116 HydrophobicContact CB-CB 3.88Å; A111-K116 WeakPolarHBondContact CB-O 3.32Å; A111-K116 PolarHBondContact N-O 2.77Å; A111-R118 HydrophobicContact CB-CB 4.33Å; A111-R118 HydrophobicContact CB-CG 3.68Å; A111-E291 HydrophobicContact CB-CB 3.96Å; A111-E291 HydrophobicContact CB-CG 4.46Å; A111-E291 VanDerWaalsContact CB-OE1 3.23Å; A111-E291 WeakPolarHBondContact CB-OE1 3.42Å
112D93.4Very high95.2Very high130 Ų13074.8 Ų74.870%0.69538%0.377SS*.SBendtrans-75-31.7-167.5-47.5-56.2000111.5R118 E291D112-R118 IonicContact OD2-CZ 3.27Å; D112-R118 IonicContact OD2-NE 3.64Å; D112-R118 IonicContact OD2-NH2 3.53Å; D112-R118 PolarHBondContact OD2-NH2 2.98Å; D112-E291 PolarHBondContact N-OE1 3.35Å
113R94Very high95.4Very high142 Ų14272.2 Ų72.254%0.53635%0.347SS..SBendtrans-87.7140.9174.2-63.6165.762.7-166.76.5111.3A111 G115 K116 E291A111-R113 PolarHBondContact O-N 3.44Å; R113-G115 PolarHBondContact O-N 3.06Å; R113-K116 HydrophobicContact CB-CB 4.2Å; R113-K116 HydrophobicContact CB-CG 3.75Å; R113-K116 VanDerWaalsContact O-CB 3.23Å; R113-K116 WeakPolarHBondContact O-CB 3.38Å; R113-K116 PolarHBondContact O-N 3.24Å; R113-E291 WeakPolarHBondContact CB-OE2 3.22Å; R113-E291 WeakPolarHBondContact CD-OE2 3.41Å; R113-E291 WeakPolarHBondContact CG-OE2 3.41Å; R113-E291 PolarHBondContact N-OE2 3.34Å
114R92.8Very high95.6Very high137 Ų13764 Ų6452%0.51732%0.319SS..THydrogen-bonded Turntrans-45127.7174.6170.6173.753.2-104-10.3112.8K116 D426 R429R114-K116 PolarHBondContact O-N 3.19Å; R114-K116 VanDerWaalsContact O-N 3.14Å; R114-D426 IonicContact CZ-OD1 2.61Å; R114-D426 IonicContact CZ-OD2 2.8Å; R114-D426 IonicContact NE-OD1 3.75Å; R114-D426 PolarHBondContact NE-OD1 2.98Å; R114-D426 IonicContact NE-OD2 2.78Å; R114-D426 VanDerWaalsContact NH2-CG 3.32Å; R114-D426 IonicContact NH2-OD1 3.48Å; R114-D426 PolarHBondContact NH2-OD1 3.45Å; R114-D426 IonicContact NH2-OD2 2.87Å; R114-D426 PolarHBondContact NH2-OD2 2.84Å; R114-R429 VanDerWaalsContact CD-NH1 3.29Å; R114-R429 VanDerWaalsContact NE-NH1 3.11Å
115G95Very high96Very high14 Ų1452 Ų5214%0.14427%0.274CS..THydrogen-bonded Turntrans70-1.4179.100000115.2R113 A423R113-G115 PolarHBondContact O-N 3.06Å; G115-A423 WeakPolarHBondContact CA-O 3.38Å
116K97.6Very high96.4Very high19 Ų1951 Ų518%0.08327%0.268CS..  trans-85.6151.4176.4-63.9-58.2-155.8163.30111.7A111 R113 R114 S287 H288 Y289 L290 E291A111-K116 HydrophobicContact CB-CB 3.88Å; A111-K116 WeakPolarHBondContact CB-O 3.32Å; A111-K116 PolarHBondContact N-O 2.77Å; R113-K116 HydrophobicContact CB-CB 4.2Å; R113-K116 HydrophobicContact CB-CG 3.75Å; R113-K116 VanDerWaalsContact O-CB 3.23Å; R113-K116 WeakPolarHBondContact O-CB 3.38Å; R113-K116 PolarHBondContact O-N 3.24Å; R114-K116 PolarHBondContact O-N 3.19Å; R114-K116 VanDerWaalsContact O-N 3.14Å; K116-S287 PolarHBondContact NZ-O 2.86Å; K116-H288 WeakPolarHBondContact CD-O 3.35Å; K116-H288 WeakPolarHBondContact CE-O 3.47Å; K116-H288 PolarHBondContact NZ-O 3.39Å; K116-Y289 CarbonylContact C-O 3.47Å; K116-Y289 VanDerWaalsContact CA-O 3.24Å; K116-Y289 WeakPolarHBondContact CA-O 3.45Å; K116-L290 WeakPolarHBondContact CE-O 3.25Å; K116-L290 PolarHBondContact NZ-O 3.24Å; K116-E291 HydrophobicContact CB-CB 4.06Å
117W98.3Very high96.6Very high34 Ų3447.7 Ų47.713%0.12924%0.244CC..EExtended strand (participates in β ladder)trans-130146.8179.4-6379.8000109.4L96 A99 V100 F108 R109 P110 Y289 L290 E291L96-W117 HydrophobicContact CD2-CB 3.84Å; L96-W117 HydrophobicContact CD2-CD2 4.13Å; L96-W117 HydrophobicContact CD2-CG 3.7Å; A99-W117 HydrophobicContact CB-CE3 4.12Å; A99-W117 HydrophobicContact CB-CH2 3.67Å; A99-W117 HydrophobicContact CB-CZ2 4.3Å; A99-W117 HydrophobicContact CB-CZ3 3.57Å; V100-W117 HydrophobicContact CG1-CZ2 3.8Å; F108-W117 HydrophobicContact CB-CE3 3.94Å; R109-W117 VanDerWaalsContact O-CA 3.3Å; R109-W117 WeakPolarHBondContact O-CA 3.24Å; P110-W117 HydrophobicContact CG-CE3 4.48Å; P110-W117 HydrophobicContact CG-CH2 4.16Å; P110-W117 HydrophobicContact CG-CZ3 3.95Å; W117-Y289 PolarHBondContact N-O 3.12Å; W117-L290 WeakPolarHBondContact O-CA 3.19Å; W117-E291 PolarHBondContact O-N 2.79Å
118R97.8Very high96.7Very high52 Ų5247.7 Ų47.720%0.19624%0.244CC..EExtended strand (participates in β ladder)trans-122.6164.4171.7-75.2169.9-172.9-114.921.3108.9F108 R109 A111 D112 E291 E292F108-R118 WeakPolarHBondContact CA-O 3.1Å; R109-R118 HydrophobicContact CG-CB 4.48Å; R109-R118 PolarHBondContact N-O 3.45Å; R109-R118 PolarHBondContact O-N 3.07Å; A111-R118 HydrophobicContact CB-CB 4.33Å; A111-R118 HydrophobicContact CB-CG 3.68Å; D112-R118 IonicContact OD2-CZ 3.27Å; D112-R118 IonicContact OD2-NE 3.64Å; D112-R118 IonicContact OD2-NH2 3.53Å; D112-R118 PolarHBondContact OD2-NH2 2.98Å; R118-E291 HydrophobicContact CG-CB 3.81Å; R118-E291 HydrophobicContact CG-CG 4.48Å; R118-E291 IonicContact CZ-OE1 3.81Å; R118-E291 VanDerWaalsContact CZ-OE1 3.27Å; R118-E291 IonicContact NE-OE1 2.75Å; R118-E291 PolarHBondContact NE-OE1 3.07Å; R118-E291 IonicContact NH2-OE1 3.65Å; R118-E291 PolarHBondContact NH2-OE1 3.27Å; R118-E292 IonicContact CZ-OE1 2.77Å; R118-E292 IonicContact CZ-OE2 3.04Å; R118-E292 IonicContact NE-OE2 3.88Å; R118-E292 IonicContact NH1-OE1 2.78Å; R118-E292 PolarHBondContact NH1-OE1 3.5Å; R118-E292 IonicContact NH1-OE2 2.76Å; R118-E292 PolarHBondContact NH1-OE2 2.78Å
119L97.9Very high96.7Very high32 Ų3247.6 Ų47.617%0.16824%0.244CC..EExtended strand (participates in β ladder)trans-63.4153.3167.1-61.2-174.7000110.7L107 F108 R109 V123 F125 L294L107-L119 HydrophobicContact CD1-CD2 3.75Å; L107-L119 HydrophobicContact CG-CD2 4.19Å; L107-L119 CarbonylContact O-C 3.59Å; L107-L119 WeakPolarHBondContact O-CA 3.46Å; F108-L119 HydrophobicContact CD1-CD2 3.96Å; F108-L119 HydrophobicContact CE1-CD2 3.6Å; F108-L119 HydrophobicContact CZ-CD2 4.4Å; R109-L119 PolarHBondContact NE-O 2.93Å; L119-V123 WeakPolarHBondContact CD1-O 3.3Å; L119-F125 HydrophobicContact CD1-CD2 4.3Å; L119-F125 HydrophobicContact CD1-CE2 4.09Å; L119-F125 HydrophobicContact CD2-CE2 4.05Å; L119-L294 HydrophobicContact CD1-CD2 3.98Å; L119-L294 HydrophobicContact CD2-CD2 4Å; L119-L294 HydrophobicContact CG-CD2 3.81Å
120Q96.8Very high96.8Very high62 Ų6243.2 Ų43.229%0.2923%0.228SC..PPolyproline II helixtrans-61.2144.1165-67.3-69.79.100110S105 L107 F108 G122 V123S105-Q120 PolarHBondContact O-NE2 3.03Å; L107-Q120 PolarHBondContact O-N 2.87Å; F108-Q120 PolarHBondContact O-NE2 2.82Å; F108-Q120 VanDerWaalsContact O-NE2 3.13Å; Q120-G122 PolarHBondContact O-N 2.92Å; Q120-V123 HydrophobicContact CB-CG2 3.91Å; Q120-V123 WeakPolarHBondContact O-CB 3.36Å; Q120-V123 PolarHBondContact O-N 3.14Å; Q120-V123 VanDerWaalsContact O-N 3.12Å
121P95.1Very high96.9Very high95 Ų9541.9 Ų41.962%0.61721%0.214SC*.THydrogen-bonded Turntrans-54.8138.8177.4-24.835.1000111.9V123P121-V123 PolarHBondContact O-N 3.4Å
122G94.3Very high96.9Very high37 Ų3741.1 Ų41.138%0.38121%0.207SC..THydrogen-bonded Turntrans79.6-7.7-177.500000115.5R41 Q120R41-G122 PolarHBondContact N-O 3.34Å; Q120-G122 PolarHBondContact O-N 2.92Å
123V96.6Very high97.2Very high16 Ų1635 Ų3510%0.09717%0.174CC..EExtended strand (participates in β ladder)trans-89.9131.6176.7-175.40000111.5R38 I39 T40 L107 L119 Q120 P121R38-V123 HydrophobicContact CG-CG1 3.89Å; I39-V123 CarbonylContact O-C 3.6Å; I39-V123 VanDerWaalsContact O-CA 3.25Å; I39-V123 WeakPolarHBondContact O-CA 3.17Å; T40-V123 HydrophobicContact CG2-CG2 4.2Å; L107-V123 HydrophobicContact CD1-CG1 3.71Å; L119-V123 WeakPolarHBondContact CD1-O 3.3Å; Q120-V123 HydrophobicContact CB-CG2 3.91Å; Q120-V123 WeakPolarHBondContact O-CB 3.36Å; Q120-V123 PolarHBondContact O-N 3.14Å; Q120-V123 VanDerWaalsContact O-N 3.12Å; P121-V123 PolarHBondContact O-N 3.4Å
124S97.5Very high97.3Very high20 Ų2029.4 Ų29.414%0.1416%0.157CC..EExtended strand (participates in β ladder)trans-144.5-175.9173.271.20000111.5I39 R41 D297I39-S124 PolarHBondContact N-O 3.12Å; I39-S124 PolarHBondContact O-N 2.96Å; R41-S124 PolarHBondContact NH1-OG 2.62Å; S124-D297 VanDerWaalsContact CB-OD2 3.3Å; S124-D297 WeakPolarHBondContact CB-OD2 3.3Å; S124-D297 PolarHBondContact OG-OD2 3.17Å
125F98.6Very high97.4Very high2 Ų222.9 Ų22.91%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-128.6143.8178.7-68.1-80.5000112.3V36 L37 R38 V54 Y91 L92 L107 L119 F281 L294 F296 D297V36-F125 HydrophobicContact CG1-CB 4.38Å; V36-F125 HydrophobicContact CG1-CD1 3.79Å; V36-F125 HydrophobicContact CG1-CG 4.46Å; L37-F125 VanDerWaalsContact O-CA 3.31Å; L37-F125 WeakPolarHBondContact O-CA 3.3Å; R38-F125 HydrophobicContact CB-CD1 4.47Å; R38-F125 HydrophobicContact CB-CE1 4.17Å; V54-F125 HydrophobicContact CG2-CD1 4.47Å; V54-F125 HydrophobicContact CG2-CE1 4.14Å; Y91-F125 HydrophobicContact CE1-CE1 4.4Å; L92-F125 HydrophobicContact CD2-CE1 4.41Å; L92-F125 HydrophobicContact CD2-CE2 4.24Å; L92-F125 HydrophobicContact CD2-CZ 3.65Å; L107-F125 HydrophobicContact CD1-CE2 4.18Å; L107-F125 HydrophobicContact CD1-CZ 3.7Å; L107-F125 HydrophobicContact CD2-CZ 4.16Å; L119-F125 HydrophobicContact CD1-CD2 4.3Å; L119-F125 HydrophobicContact CD1-CE2 4.09Å; L119-F125 HydrophobicContact CD2-CE2 4.05Å; F125-F281 HydrophobicContact CB-CE1 3.94Å; F125-F281 HydrophobicContact CB-CZ 4.13Å; F125-F281 HydrophobicContact CD1-CZ 4.33Å; F125-F281 AromaticContact CD2-CE1 3.95Å; F125-F281 HydrophobicContact CD2-CE1 3.95Å; F125-F281 AromaticContact CD2-CZ 3.63Å; F125-F281 HydrophobicContact CD2-CZ 3.63Å; F125-F281 HydrophobicContact CE2-CZ 4.06Å; F125-F281 HydrophobicContact CG-CE1 4.05Å; F125-F281 AromaticContact CG-CZ 3.77Å; F125-F281 HydrophobicContact CG-CZ 3.77Å; F125-L294 HydrophobicContact CE2-CD1 4.45Å; F125-F296 HydrophobicContact CB-CD1 3.94Å; F125-F296 HydrophobicContact CB-CE1 4.29Å; F125-F296 CarbonylContact O-C 3.6Å; F125-F296 VanDerWaalsContact O-CA 3.28Å; F125-F296 WeakPolarHBondContact O-CA 3.42Å; F125-D297 PolarHBondContact O-N 2.89Å
126L98.6Very high97.5Very high0 Ų022.2 Ų22.20%013%0.126CC..EExtended strand (participates in β ladder)trans-120.1146.3173.8172.8159.5000109.4I2 V7 V36 L37 I39 F128 T298 V300I2-L126 HydrophobicContact CD1-CD1 4.32Å; I2-L126 HydrophobicContact CG2-CD1 3.8Å; V7-L126 HydrophobicContact CG1-CD1 4.46Å; V7-L126 HydrophobicContact CG1-CD2 3.57Å; V7-L126 HydrophobicContact CG2-CD1 3.92Å; V7-L126 HydrophobicContact CG2-CD2 4.41Å; V36-L126 WeakPolarHBondContact CA-O 3.37Å; L37-L126 HydrophobicContact CB-CD2 4.47Å; L37-L126 HydrophobicContact CD1-CD2 3.83Å; L37-L126 HydrophobicContact CG-CD2 4.5Å; L37-L126 PolarHBondContact N-O 3.06Å; L37-L126 PolarHBondContact O-N 3.42Å; I39-L126 HydrophobicContact CD1-CB 3.62Å; I39-L126 HydrophobicContact CD1-CD1 4.08Å; I39-L126 HydrophobicContact CG1-CB 4.3Å; L126-F128 HydrophobicContact CD2-CB 4.43Å; L126-T298 HydrophobicContact CD1-CG2 3.65Å; L126-T298 HydrophobicContact CG-CG2 4.12Å; L126-V300 HydrophobicContact CD1-CG2 3.9Å; L126-V300 HydrophobicContact CD2-CG2 4.08Å; L126-V300 HydrophobicContact CG-CG2 4.27Å
127L98.9Very high97.5Very high0 Ų021.3 Ų21.30%012%0.122CC..EExtended strand (participates in β ladder)trans-107.8127.5169.1-176.679.1000110.8A35 V36 L273 F296 T298 V299 V300A35-L127 WeakPolarHBondContact O-CD1 3.47Å; V36-L127 HydrophobicContact CG2-CD1 3.88Å; L127-L273 HydrophobicContact CD2-CD1 4.42Å; L127-L273 HydrophobicContact CD2-CD2 3.25Å; L127-L273 HydrophobicContact CD2-CG 4.45Å; L127-F296 HydrophobicContact CB-CB 4.26Å; L127-F296 HydrophobicContact CB-CD1 4.1Å; L127-F296 HydrophobicContact CB-CD2 3.79Å; L127-F296 HydrophobicContact CB-CE1 4.44Å; L127-F296 HydrophobicContact CB-CE2 4.12Å; L127-F296 HydrophobicContact CB-CG 3.78Å; L127-F296 HydrophobicContact CB-CZ 4.44Å; L127-F296 HydrophobicContact CD1-CE2 4.14Å; L127-F296 HydrophobicContact CD1-CZ 4.18Å; L127-F296 HydrophobicContact CD2-CD2 4.25Å; L127-F296 HydrophobicContact CD2-CE2 4.26Å; L127-F296 HydrophobicContact CG-CD2 4.46Å; L127-F296 HydrophobicContact CG-CE2 4.42Å; L127-T298 PolarHBondContact N-O 3.41Å; L127-V299 HydrophobicContact CB-CG2 4.49Å; L127-V299 CarbonylContact O-C 3.55Å; L127-V299 WeakPolarHBondContact O-CA 2.92Å; L127-V300 PolarHBondContact O-N 3.18Å
128F98.9Very high97.4Very high0 Ų020.5 Ų20.50%012%0.121CC..EExtended strand (participates in β ladder)trans-100.9142164.9173.9-99.5000110.6V7 A8 C11 Y12 L33 A34 A35 L37 L126 V300V7-F128 HydrophobicContact CG1-CB 3.97Å; V7-F128 HydrophobicContact CG1-CD2 4.07Å; V7-F128 HydrophobicContact CG1-CG 4.33Å; A8-F128 HydrophobicContact CB-CD2 4.32Å; A8-F128 HydrophobicContact CB-CE2 3.57Å; A8-F128 HydrophobicContact CB-CZ 4Å; C11-F128 HydrophobicContact CB-CD1 3.6Å; C11-F128 HydrophobicContact CB-CE1 3.89Å; C11-F128 HydrophobicContact CB-CG 4.2Å; Y12-F128 HydrophobicContact CD1-CE1 4.44Å; Y12-F128 AromaticContact CE1-CE1 3.77Å; Y12-F128 HydrophobicContact CE1-CE1 3.77Å; Y12-F128 AromaticContact CE1-CZ 3.63Å; Y12-F128 HydrophobicContact CE1-CZ 3.63Å; Y12-F128 AromaticContact CZ-CZ 3.78Å; L33-F128 HydrophobicContact CD2-CE1 4.3Å; A34-F128 CarbonylContact C-O 3.47Å; A34-F128 WeakPolarHBondContact CA-O 3.29Å; A34-F128 VanDerWaalsContact CB-O 3.28Å; A34-F128 WeakPolarHBondContact CB-O 3.27Å; A35-F128 HydrophobicContact CB-CB 4.45Å; A35-F128 PolarHBondContact N-O 2.54Å; A35-F128 PolarHBondContact O-N 2.72Å; L37-F128 HydrophobicContact CD1-CB 4.19Å; L126-F128 HydrophobicContact CD2-CB 4.43Å; F128-V300 CarbonylContact C-O 3.55Å; F128-V300 WeakPolarHBondContact CA-O 3.28Å; F128-V300 HydrophobicContact CD2-CB 4.07Å; F128-V300 HydrophobicContact CD2-CG1 3.89Å; F128-V300 HydrophobicContact CE2-CG1 4.32Å
129T98.8Very high97.3Very high0 Ų018.4 Ų18.40%011%0.113CC..EExtended strand (participates in β ladder)trans-139.1134166.7176.10000110.1L33 H131 P133 V300 V301 G302L33-T129 CarbonylContact O-C 3.6Å; T129-H131 VanDerWaalsContact CG2-O 3.27Å; T129-H131 WeakPolarHBondContact CG2-O 3.49Å; T129-H131 PolarHBondContact O-N 2.98Å; T129-H131 VanDerWaalsContact O-N 3.16Å; T129-H131 PolarHBondContact OG1-O 2.82Å; T129-P133 HydrophobicContact CG2-CG 4.26Å; T129-V300 PolarHBondContact N-O 3.44Å; T129-V301 HydrophobicContact CG2-CB 4.47Å; T129-V301 HydrophobicContact CG2-CG1 4.38Å; T129-V301 HydrophobicContact CG2-CG2 3.95Å; T129-V301 CarbonylContact O-C 3.07Å; T129-V301 VanDerWaalsContact O-CA 3.26Å; T129-V301 WeakPolarHBondContact O-CA 3.37Å; T129-G302 PolarHBondContact O-N 2.88Å
130S98.8Very high97.1Very high5 Ų517.1 Ų17.14%0.03511%0.107CC..SBendtrans-69.7-11.9-177.166.10000114.3L33L33-S130 PolarHBondContact N-OG 3.5Å; L33-S130 WeakPolarHBondContact O-CB 3.29Å; L33-S130 PolarHBondContact O-N 3.33Å; L33-S130 PolarHBondContact O-OG 3.11Å
131H98.2Very high96.9Very high63 Ų6317.1 Ų17.129%0.29211%0.112SC..SBendtrans-147.9156.5-179.7-162.1-70.1000109.7L32 T129 C304L32-H131 HydrophobicContact CD1-CB 4.34Å; L32-H131 HydrophobicContact CD2-CB 3.55Å; T129-H131 VanDerWaalsContact CG2-O 3.27Å; T129-H131 WeakPolarHBondContact CG2-O 3.49Å; T129-H131 PolarHBondContact O-N 2.98Å; T129-H131 VanDerWaalsContact O-N 3.16Å; T129-H131 PolarHBondContact OG1-O 2.82Å; H131-C304 HydrophobicContact CB-CB 4.41Å; H131-C304 VanDerWaalsContact CD2-CB 3.46Å; H131-C304 WeakPolarHBondContact CD2-CB 3.45Å
132T97.9Very high96.6Very high4 Ų414 Ų143%0.0259%0.09CC..PPolyproline II helixtrans-52.8131.1173.241.40000111.3C134 I140 V301 C304 P305 Y306 M311T132-C134 PolarHBondContact O-N 3.18Å; T132-I140 HydrophobicContact CG2-CD1 3.96Å; T132-V301 HydrophobicContact CG2-CG1 4.02Å; T132-C304 PolarHBondContact N-SG 3.35Å; T132-C304 VanDerWaalsContact N-SG 3.39Å; T132-P305 VanDerWaalsContact CG2-O 3.23Å; T132-P305 WeakPolarHBondContact CG2-O 3.49Å; T132-P305 PolarHBondContact OG1-O 3.03Å; T132-Y306 HydrophobicContact CG2-CD2 3.81Å; T132-M311 HydrophobicContact CG2-SD 3.99Å
133P97.9Very high96Very high0 Ų016.7 Ų16.70%010%0.099CC..PPolyproline II helixtrans-60.1136.3-175.7-24.232.5000112.5T129 A137 C269 L273T129-P133 HydrophobicContact CG2-CG 4.26Å; P133-A137 HydrophobicContact CB-CB 4.46Å; P133-A137 WeakPolarHBondContact O-CB 3.46Å; P133-C269 HydrophobicContact CB-CB 3.88Å; P133-L273 HydrophobicContact CB-CD1 3.63Å; P133-L273 HydrophobicContact CG-CD1 3.37Å
134C96.3Very high94.2Very high26 Ų2622.1 Ų22.118%0.17613%0.128CC..SBendtrans-62.7155.5-177.675.60000112.7T132 S268 C269 S270T132-C134 PolarHBondContact O-N 3.18Å; C134-S268 VanDerWaalsContact O-CB 3.24Å; C134-S268 WeakPolarHBondContact O-CB 3.26Å; C134-S268 PolarHBondContact O-OG 3.4Å; C134-C269 PolarHBondContact O-N 3.01Å; C134-C269 VanDerWaalsContact O-N 3.15Å; C134-C269 PolarHBondContact SG-N 2.91Å; C134-S270 WeakPolarHBondContact O-CB 3.45Å; C134-S270 PolarHBondContact O-N 3.11Å; C134-S270 PolarHBondContact O-OG 2.79Å
135G96.6Very high92Very high0 Ų026.4 Ų26.40%016%0.157CC..SBendtrans100.5-135.5-171.800000111.6A137 S138 T229 S270G135-A137 VanDerWaalsContact C-N 3.32Å; G135-A137 PolarHBondContact O-N 3.38Å; G135-S138 PolarHBondContact O-N 3.32Å; G135-S138 PolarHBondContact O-OG 2.92Å; G135-T229 PolarHBondContact N-OG1 2.93Å; G135-T229 PolarHBondContact O-OG1 3.17Å; G135-S270 WeakPolarHBondContact CA-OG 3.47Å
136D96.8Very high89.9Confident0 Ų031.3 Ų31.30%018%0.18CC..G310 helixtrans-69.5-27-172.4-160.468.4000114.2S138 I139 T251 G252 R255 S270 R313 A314D136-S138 PolarHBondContact O-N 3.11Å; D136-I139 PolarHBondContact O-N 2.85Å; D136-T251 VanDerWaalsContact OD1-CA 3.3Å; D136-T251 WeakPolarHBondContact OD1-CA 3.5Å; D136-G252 VanDerWaalsContact CG-N 3.28Å; D136-G252 PolarHBondContact OD1-N 3.37Å; D136-G252 PolarHBondContact OD2-N 2.98Å; D136-R255 IonicContact OD1-NH1 2.73Å; D136-R255 PolarHBondContact OD1-NH1 3.09Å; D136-S270 PolarHBondContact N-OG 3.16Å; D136-R313 PolarHBondContact O-NH2 3.2Å; D136-R313 IonicContact OD2-CZ 3.44Å; D136-R313 IonicContact OD2-NE 2.86Å; D136-R313 PolarHBondContact OD2-NE 3.22Å; D136-R313 IonicContact OD2-NH2 3.19Å; D136-A314 HydrophobicContact CB-CB 4Å
137A97.3Very high87.4Confident0 Ų033.7 Ų33.70%020%0.2CC..G310 helixtrans-75.9-7.617700000113.6P133 G135 V310 M311 A314P133-A137 HydrophobicContact CB-CB 4.46Å; P133-A137 WeakPolarHBondContact O-CB 3.46Å; G135-A137 VanDerWaalsContact C-N 3.32Å; G135-A137 PolarHBondContact O-N 3.38Å; A137-V310 WeakPolarHBondContact O-CG1 3.43Å; A137-M311 HydrophobicContact CB-SD 3.9Å; A137-A314 HydrophobicContact CB-CB 3.56Å
138S95.9Very high84.9Confident17 Ų1741.2 Ų41.212%0.11924%0.235CC..G310 helixtrans-109.118.8176.286.80000112.7G135 D136 H227 T229G135-S138 PolarHBondContact O-N 3.32Å; G135-S138 PolarHBondContact O-OG 2.92Å; D136-S138 PolarHBondContact O-N 3.11Å; S138-H227 VanDerWaalsContact O-O 3.06Å; S138-T229 VanDerWaalsContact OG-CB 3.28Å; S138-T229 WeakPolarHBondContact OG-CB 3.22Å; S138-T229 PolarHBondContact OG-OG1 3.24Å
139I95.9Very high82.2Confident7 Ų747 Ų474%0.03627%0.273CS..  trans-107.293.6172.2-60.2164.7000107.3D136 H227 T229 H249 T251 V310 R313D136-I139 PolarHBondContact O-N 2.85Å; I139-H227 WeakPolarHBondContact CA-O 3.34Å; I139-T229 HydrophobicContact CD1-CG2 3.78Å; I139-T229 HydrophobicContact CG1-CG2 3.79Å; I139-H249 HydrophobicContact CD1-CB 3.7Å; I139-H249 HydrophobicContact CG1-CB 4.32Å; I139-H249 HydrophobicContact CG2-CB 4.07Å; I139-T251 HydrophobicContact CG2-CG2 4.06Å; I139-V310 WeakPolarHBondContact O-CG1 3.38Å; I139-V310 VanDerWaalsContact O-CG2 3.28Å; I139-V310 WeakPolarHBondContact O-CG2 3.32Å; I139-R313 PolarHBondContact O-NH2 3.27Å; I139-R313 VanDerWaalsContact O-NH2 3.1Å
140I94.3Very high79.6Confident5 Ų550.6 Ų50.63%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-127.9128.7-164.8-60.5163.2000108.1T132 M142 V226 H227 P305 V310T132-I140 HydrophobicContact CG2-CD1 3.96Å; I140-M142 PolarHBondContact O-N 3.33Å; I140-V226 CarbonylContact O-C 3.4Å; I140-V226 VanDerWaalsContact O-CA 3.31Å; I140-V226 WeakPolarHBondContact O-CA 3.4Å; I140-H227 HydrophobicContact CB-CB 4.39Å; I140-H227 PolarHBondContact O-CD2 3.12Å; I140-H227 PolarHBondContact O-N 3.42Å; I140-P305 HydrophobicContact CD1-CB 4.46Å; I140-P305 WeakPolarHBondContact CD1-O 3.42Å; I140-V310 HydrophobicContact CG1-CB 4.21Å; I140-V310 HydrophobicContact CG1-CG1 3.74Å; I140-V310 HydrophobicContact CG1-CG2 4.25Å
141P91.6Very high76.8Confident62 Ų6255.6 Ų55.640%0.40333%0.329SS..EExtended strand (participates in β ladder)trans-57.5131.5170.7-22.934.1000111.1
142M89.9Confident74Confident29 Ų2958.6 Ų58.614%0.14335%0.354CS..PPolyproline II helixtrans-71126.8164.9-66.8175.6172.900107.7I140 Q146 D225I140-M142 PolarHBondContact O-N 3.33Å; M142-Q146 HydrophobicContact CB-CB 4.48Å; M142-D225 WeakPolarHBondContact CB-O 3.45Å; M142-D225 PolarHBondContact N-O 3.37Å; M142-D225 HydrophobicContact SD-CB 3.82Å
143T80.6Confident71.2Confident94 Ų9464 Ų6458%0.57739%0.387SS*.PPolyproline II helixtrans-73.2160.216446.90000109.8S145 Q146T143-S145 PolarHBondContact O-N 3.01Å; T143-Q146 PolarHBondContact O-N 3.5Å
144D58Low68.1Low131 Ų13170 Ų7070%0.70142%0.424SS*.G310 helixtrans-61.6-19.3-163.3-48.4-64.6000114.4Q146D144-Q146 PolarHBondContact O-N 3.42Å
145S52.8Low65.1Low109 Ų10973.9 Ų73.976%0.76245%0.451SS*.G310 helixtrans-73.5-4.917357.20000115.2T143T143-S145 PolarHBondContact O-N 3.01Å
146Q53.2Low62.1Low106 Ų10681 Ų8150%0.49550%0.495SS..G310 helixtrans-128.56.7176.8-61.1-1679.700114.1M142 T143 D144 Q148 H227M142-Q146 HydrophobicContact CB-CB 4.48Å; T143-Q146 PolarHBondContact O-N 3.5Å; D144-Q146 PolarHBondContact O-N 3.42Å; Q146-Q148 PolarHBondContact O-N 3.21Å; Q146-H227 PolarHBondContact OE1-CE1 2.88Å
147A46.5Very low59Low49 Ų4986 Ų8641%0.40553%0.529SS..  trans-74.783.3-176.200000112.7
148Q46.4Very low56Low158 Ų15891.7 Ų91.774%0.73857%0.569SS**  trans-93.8120165.1-72.8-150.8-23.100111.3Q146 C150Q146-Q148 PolarHBondContact O-N 3.21Å; Q148-C150 PolarHBondContact O-N 2.95Å
149P42.8Very low52.7Low122 Ų12297.1 Ų97.179%0.79261%0.605SS**  trans-69.9106.1-179.727.9-33.9000110.9
150C43.8Very low49.4Very low76 Ų76100 Ų10051%0.51464%0.637SS.*PPolyproline II helixtrans-75.7132.7174.3-68.20000110.8Q148Q148-C150 PolarHBondContact O-N 2.95Å
151P40.2Very low46.2Very low110 Ų110108.7 Ų108.771%0.71468%0.677SS**PPolyproline II helixtrans-65.8153.4176.127.9-34.6000111.7V153P151-V153 PolarHBondContact O-N 3.44Å
152P39.8Very low43.3Very low126 Ų126112 Ų11282%0.81870%0.696SS**PPolyproline II helixtrans-65.8134.2-176.526.7-34.6000112T154P152-T154 PolarHBondContact O-N 2.89Å
153V39.1Very low40.2Very low116 Ų116118.6 Ų118.670%0.70373%0.732SS**PPolyproline II helixtrans-77.1117.4175.3-178.40000109.2P151 S155P151-V153 PolarHBondContact O-N 3.44Å; V153-S155 PolarHBondContact O-N 3.25Å
154T33.1Very low37.6Very low127 Ų127117 Ų11778%0.77974%0.735SS**PPolyproline II helixtrans-64.2131.2175.838.50000111.6P152 V156P152-T154 PolarHBondContact O-N 2.89Å; T154-V156 PolarHBondContact O-N 3.2Å
155S33Very low36.2Very low108 Ų108121.6 Ų121.676%0.75574%0.742SS**  trans-73.4115.3176.954.60000110.7V153 S157V153-S155 PolarHBondContact O-N 3.25Å; S155-S157 PolarHBondContact O-N 3.08Å; S155-S157 VanDerWaalsContact O-N 3.09Å
156V32.7Very low34.9Very low150 Ų150126.8 Ų126.891%0.90975%0.745SS**  trans-70.5102.8168.3-177.50000108.4T154T154-V156 PolarHBondContact O-N 3.2Å
157S32.3Very low33.5Very low103 Ų103129.3 Ų129.372%0.7276%0.762SS**  trans-73.8143174.944.90000111.2S155S155-S157 PolarHBondContact O-N 3.08Å; S155-S157 VanDerWaalsContact O-N 3.09Å
158S33.3Very low32.6Very low120 Ų120134.6 Ų134.684%0.83978%0.783SS**  trans-10677.4-177.162.60000112.6
159C28Very low31.6Very low131 Ų131136.4 Ų136.489%0.88579%0.788SS**  trans-142.4151.9157.8-73.20000106.9
160G26.6Very low30.9Very low67 Ų67142.4 Ų142.469%0.69180%0.795SS**  cis144.180.71.600000109.5
161E27.6Very low30Very low189 Ų189148.2 Ų148.288%0.88381%0.812SS**  trans68.5143.7-178.4-60.1174.5158.800113.9
162T29.2Very low29.3Very low130 Ų130147.7 Ų147.780%0.79882%0.817SS**  cis-147.9163.13.4-11.40000112.5
163D25.3Very low28.5Very low168 Ų168150.8 Ų150.890%0.89882%0.82SS**  trans72.8162.9161.4-1491.4000118.8
164G26.6Very low27.7Very low61 Ų61153.9 Ų153.963%0.62983%0.827SS**  trans103.351.9161.400000119.8
165R28Very low27.8Very low227 Ų227153.4 Ų153.486%0.85783%0.826SS**  trans50.891142.1-172.4-157.6-175.2-1654119.2
166W24.7Very low27.3Very low218 Ų218151.8 Ų151.883%0.82683%0.827SS**  -165.7105.7121.3-163.4-90.3000112.2
167N24.8Very low27Very low159 Ų159154.5 Ų154.585%0.8583%0.829SS**  trans-142.299.4177.5-127.3-31.5000109.7
168L26.9Very low26.5Very low160 Ų160153.6 Ų153.684%0.83884%0.837SS**  trans-135.8109.3167.1-143.772.1000111.8
169K26.3Very low26.1Very low196 Ų196151.9 Ų151.985%0.85284%0.837SS**  trans-92.2104.7-169.1-174.4178.4-173.9175.70108.7K171K169-K171 PolarHBondContact O-N 2.76Å; K169-K171 VanDerWaalsContact O-N 3.07Å
170R27Very low25.9Very low248 Ų248153.3 Ų153.394%0.93684%0.836SS**  trans-57.3113.5-179.7-81-173.7-82.9175.9-7.4111.1
171K25Very low25.8Very low199 Ų199157.1 Ų157.187%0.86584%0.84SS**  trans-74.4169.1159.1-82.8-175.4172.1-1780109.6K169K169-K171 PolarHBondContact O-N 2.76Å; K169-K171 VanDerWaalsContact O-N 3.07Å
172A24.9Very low25.6Very low99 Ų99157.3 Ų157.382%0.81884%0.838SS**  trans-103.9150.817000000109.8
173E23.7Very low25.3Very low190 Ų190157.9 Ų157.989%0.88884%0.836SS**  trans-141.7149.7175.8-68.9-173151.600110.8
174E23.2Very low25.5Very low182 Ų182155.6 Ų155.685%0.8583%0.83SS**  trans-164.9155.8168.8-89.6-145-146.900106.8
175P35.5Very low25.4Very low116 Ų116163 Ų16375%0.75384%0.839SS**  cis-136.2173.3-36.338.5-22.4000113.2
176G22.1Very low25.3Very low75 Ų75160.1 Ų160.177%0.77384%0.839SS**  trans95156.4173.500000114.6
177E25.2Very low25.2Very low206 Ų206153.4 Ų153.496%0.96383%0.83SS**  cis-130.3-174.2-2.9-69.8-168.7100.800111.2
178G23Very low25.2Very low85 Ų85153.8 Ų153.888%0.87683%0.827SS**  trans-93.3161.7-166.400000117.2
179G25.1Very low25.1Very low83 Ų83154.4 Ų154.486%0.85683%0.826SS**  trans-172.8114.1172.200000112.2
180N22.7Very low25Very low161 Ų161151.6 Ų151.686%0.86182%0.82SS**  trans-88.1149.2179.5-113.8-33.7000111.3
181L25.8Very low24.9Very low148 Ų148144.6 Ų144.678%0.77581%0.809SS**  trans177.3108.7132.3-96.4164.5000115.2
182K22.9Very low24.8Very low192 Ų192143.3 Ų143.384%0.83580%0.804SS**  trans53.3145.3140.1-69179.2-179.6-179.50124.7
183L22.3Very low24.8Very low143 Ų143148.1 Ų148.175%0.74981%0.809SS**  trans-65.6177.4167.9-93.778000114.1R185L183-R185 HydrophobicContact CD2-CB 4.29Å
184P30.3Very low24.8Very low119 Ų119147 Ų14777%0.77380%0.804SS**  cis-127.1177.119.128.9-5.3000115.3
185R23.8Very low24.8Very low217 Ų217147.9 Ų147.982%0.81981%0.808SS**  cis95.993.916.9-152.1-164.8-155.5-156.76.3116.8L183L183-R185 HydrophobicContact CD2-CB 4.29Å
186L25.5Very low24.2Very low166 Ų166151.1 Ų151.187%0.86981%0.813SS**  trans-144.3141.3152.2-66.2177.2000105.4
187A23.9Very low24.3Very low77 Ų77154.7 Ų154.764%0.63681%0.81SS**  cis73.2134.53700000113.5
188E24.7Very low24.2Very low167 Ų167148.7 Ų148.778%0.7879%0.79SS**  cis-170.2162.3-25.5-130.6155.7-177.700107.7
189E25Very low24.3Very low173 Ų173154.9 Ų154.981%0.80879%0.787SS**  trans65.4164.2160.7-60.1173.3159.400117.7
190D23.8Very low24.3Very low137 Ų137157.6 Ų157.673%0.73379%0.787SS**  cis-148.2169.82.6-156.810.3000114.8
191S25Very low24.3Very low102 Ų102158.7 Ų158.771%0.71378%0.784SS**  trans73.5165.314275.60000122.5
192K23.1Very low24.2Very low172 Ų172156.8 Ų156.875%0.74878%0.783SS**  trans-135.1158.9-176.1-43.5167174.3-1770108.9
193E24.7Very low25Very low200 Ų200153.3 Ų153.394%0.93578%0.78SS**  trans-136.2154.8147.2-67.8-170.7142.700110.2
194E22.7Very low25.1Very low165 Ų165153.9 Ų153.977%0.77178%0.784SS**  trans-128.2141.5178.4-66.2172.6175.300107.7
195E23.8Very low24.8Very low202 Ų202151.1 Ų151.194%0.94478%0.777SS**  trans-158.5150.2157.7-124.7171.2-155.500112.6
196E22.2Very low25Very low184 Ų184147.9 Ų147.986%0.8678%0.781SS**  trans-107.9156.1176.4-59.6-175.299.500110.6
197E24.8Very low24.9Very low150 Ų150144.3 Ų144.370%0.70178%0.776SS**  171.4141.8111.2-103.3-123.293.100116.1
198S23.7Very low25Very low79 Ų79146.4 Ų146.455%0.55279%0.786SS**  trans77.5124.7137.381.10000123.7
199R25.6Very low25.1Very low216 Ų216145 Ų14582%0.81579%0.788SS**  56.7149.6123.6-53170-162.7-176.98.1119
200T23.5Very low25.7Very low139 Ų139142.5 Ų142.585%0.85379%0.787SS**  cis-152.6-166.621.8-27.20000112.9
201K24.1Very low25.8Very low185 Ų185141 Ų14180%0.80479%0.793SS**  trans-100.8148.6-160.8-74.6176.7173.31780116.4
202S22.9Very low25.9Very low108 Ų108142 Ų14276%0.75580%0.801SS**  60.2171.4126.3-55.50000120.8
203P38.9Very low26.2Very low118 Ų118138.4 Ų138.477%0.76680%0.803SS**  cis-114-155.7-1.143.5-28.3000112.3
204D25.3Very low27Very low156 Ų156134.8 Ų134.883%0.83480%0.8SS**  cis-136.7-130.92-148.7-86.8000110.1
205G24.2Very low27.3Very low61 Ų61135.6 Ų135.663%0.62980%0.803SS**  cis144.3144.7-1.700000110.3
206V27.1Very low27.6Very low148 Ų148134.3 Ų134.390%0.89780%0.802SS**  cis-134.5158.90.1168.30000108.2
207A24.9Very low27.9Very low92 Ų92134.7 Ų134.776%0.7680%0.801SS**  trans-103.8156.9-174.700000115.7
208S24.9Very low28.4Very low120 Ų120133.4 Ų133.484%0.83981%0.806SS**  trans-154.5145.1158.262.10000113.3
209V26.5Very low28.9Very low137 Ų137132.8 Ų132.883%0.8381%0.812SS**  trans-157.5151.4-178.8-148.40000104
210P37.8Very low29.6Very low122 Ų122129.8 Ų129.879%0.79281%0.812SS**  cis-143.5174.424.444.3-25.8000118.1
211A25.5Very low30.6Very low104 Ų104127.6 Ų127.686%0.8680%0.802SS**  trans-156.3152.9145.400000109.8
212S28Very low32.1Very low124 Ų124124.1 Ų124.187%0.86780%0.797SS**  trans-104131.4-17456.90000113.7
213A28.6Very low33.8Very low96 Ų96124.2 Ų124.279%0.79379%0.785SS**  trans-141135.5157.700000109.2E215A213-E215 PolarHBondContact O-N 3.26Å
214S41.2Very low35.7Very low125 Ų125120.6 Ų120.687%0.87476%0.763SS**  trans-93.585.7-173.457.90000111.9
215E29.2Very low38.8Very low181 Ų181113.7 Ų113.785%0.84673%0.726SS**  trans-93114.7166.9-67.4-164.4145.500110.7A213 K217A213-E215 PolarHBondContact O-N 3.26Å; E215-K217 PolarHBondContact O-N 2.85Å; E215-K217 VanDerWaalsContact O-N 3.09Å
216L30.4Very low42Very low176 Ų176111 Ų11192%0.92170%0.698SS**  trans-65106.6167.2-79159.5000108.2
217K29.1Very low45.1Very low191 Ų191105.9 Ų105.983%0.8366%0.664SS**PPolyproline II helixtrans-51.1130.6170-70.8-175.4177-177.80108.8E215 G219E215-K217 PolarHBondContact O-N 2.85Å; E215-K217 VanDerWaalsContact O-N 3.09Å; K217-G219 PolarHBondContact O-N 3.15Å
218P35.7Very low48.4Very low124 Ų124105.5 Ų105.581%0.80564%0.642SS**PPolyproline II helixtrans-53.3126.3166.1-22.733.3000108.2D220P218-D220 PolarHBondContact O-N 2.85Å
219G34.2Very low51.6Low66 Ų66100.2 Ų100.268%0.6861%0.605SS**PPolyproline II helixtrans-58134.7174.700000109.2K217 S221K217-G219 PolarHBondContact O-N 3.15Å; G219-S221 PolarHBondContact O-N 3.04Å
220D39.1Very low54.7Low152 Ų15296 Ų9681%0.81359%0.589SS**  trans-6884.4178.4-17213.1000109.3P218 T222P218-D220 PolarHBondContact O-N 2.85Å; D220-T222 VanDerWaalsContact C-N 3.33Å; D220-T222 PolarHBondContact O-N 3.19Å
221S45.4Very low57.4Low93 Ų9390.2 Ų90.265%0.6555%0.552SS**  trans-72.993.7176.460.60000107.4G219 Q223G219-S221 PolarHBondContact O-N 3.04Å; S221-Q223 VanDerWaalsContact C-N 3.3Å; S221-Q223 WeakPolarHBondContact O-CA 3.32Å; S221-Q223 PolarHBondContact O-N 2.86Å
222T54.8Low60.6Low112 Ų11291 Ų9169%0.68754%0.536SS*.  trans-51.193174.949.10000109.6D220 S224D220-T222 VanDerWaalsContact C-N 3.33Å; D220-T222 PolarHBondContact O-N 3.19Å; T222-S224 PolarHBondContact O-N 2.69Å
223Q59.3Low63.8Low110 Ų11086.2 Ų86.251%0.51450%0.502SS..  trans-78.796.9-164.6-175.816781.600108.7S221 D225 P244 V246S221-Q223 VanDerWaalsContact C-N 3.3Å; S221-Q223 WeakPolarHBondContact O-CA 3.32Å; S221-Q223 PolarHBondContact O-N 2.86Å; Q223-D225 PolarHBondContact O-N 2.4Å; Q223-P244 PolarHBondContact OE1-O 2.78Å; Q223-V246 HydrophobicContact CG-CG2 4.48Å
224S79.4Confident66.9Low42 Ų4281.8 Ų81.829%0.29447%0.465SS..  trans-47.8128-175.9500000111.2T222 G245 V246T222-S224 PolarHBondContact O-N 2.69Å; S224-G245 WeakPolarHBondContact O-CA 3.31Å; S224-V246 PolarHBondContact O-N 3.46Å
225D89.8Confident69.3Low12 Ų1281.1 Ų81.16%0.06446%0.458CS..  trans-76.6170.8-178.6-159.711.9000111M142 Q223 R228 G245M142-D225 WeakPolarHBondContact CB-O 3.45Å; M142-D225 PolarHBondContact N-O 3.37Å; M142-D225 HydrophobicContact SD-CB 3.82Å; Q223-D225 PolarHBondContact O-N 2.4Å; D225-R228 VanDerWaalsContact CG-NH1 3.26Å; D225-R228 IonicContact OD1-CZ 2.69Å; D225-R228 IonicContact OD1-NH1 2.86Å; D225-R228 PolarHBondContact OD1-NH1 2.85Å; D225-R228 VanDerWaalsContact OD1-NH1 3.11Å; D225-R228 IonicContact OD1-NH2 3.03Å; D225-R228 PolarHBondContact OD1-NH2 3.13Å; D225-R228 IonicContact OD2-CZ 3.68Å; D225-R228 VanDerWaalsContact OD2-CZ 3.26Å; D225-R228 IonicContact OD2-NH1 3.25Å; D225-R228 PolarHBondContact OD2-NH1 2.96Å; D225-R228 IonicContact OD2-NH2 2.8Å; D225-R228 PolarHBondContact OD2-NH2 2.93Å; D225-G245 WeakPolarHBondContact OD1-CA 3.37Å
226V91.9Very high72.2Confident5 Ų575.9 Ų75.93%0.0345%0.452CS..EExtended strand (participates in β ladder)trans-120.7142.8177.3-69.50000111.9I140 R228 V246I140-V226 CarbonylContact O-C 3.4Å; I140-V226 VanDerWaalsContact O-CA 3.31Å; I140-V226 WeakPolarHBondContact O-CA 3.4Å; V226-R228 HydrophobicContact CG2-CG 4.11Å; V226-R228 PolarHBondContact O-N 2.89Å; V226-R228 VanDerWaalsContact O-N 3.13Å; V226-R228 PolarHBondContact O-NH1 3.3Å; V226-V246 HydrophobicContact CG1-CB 4.39Å; V226-V246 HydrophobicContact CG1-CG1 3.94Å
227H92.2Very high75Confident40 Ų4068.6 Ų68.619%0.18542%0.416CS..EExtended strand (participates in β ladder)trans-59.5115.8156.1-60.3-78.8000107.4S138 I139 I140 Q146S138-H227 VanDerWaalsContact O-O 3.06Å; I139-H227 WeakPolarHBondContact CA-O 3.34Å; I140-H227 HydrophobicContact CB-CB 4.39Å; I140-H227 PolarHBondContact O-CD2 3.12Å; I140-H227 PolarHBondContact O-N 3.42Å; Q146-H227 PolarHBondContact OE1-CE1 2.88Å
228R93.6Very high77.9Confident83 Ų8363.5 Ų63.531%0.31340%0.403SS..  trans-88.6145.8-173.4-70.9167.8-173.581.1-14.7111D225 V226 Y248 H249D225-R228 VanDerWaalsContact CG-NH1 3.26Å; D225-R228 IonicContact OD1-CZ 2.69Å; D225-R228 IonicContact OD1-NH1 2.86Å; D225-R228 PolarHBondContact OD1-NH1 2.85Å; D225-R228 VanDerWaalsContact OD1-NH1 3.11Å; D225-R228 IonicContact OD1-NH2 3.03Å; D225-R228 PolarHBondContact OD1-NH2 3.13Å; D225-R228 IonicContact OD2-CZ 3.68Å; D225-R228 VanDerWaalsContact OD2-CZ 3.26Å; D225-R228 IonicContact OD2-NH1 3.25Å; D225-R228 PolarHBondContact OD2-NH1 2.96Å; D225-R228 IonicContact OD2-NH2 2.8Å; D225-R228 PolarHBondContact OD2-NH2 2.93Å; V226-R228 HydrophobicContact CG2-CG 4.11Å; V226-R228 PolarHBondContact O-N 2.89Å; V226-R228 VanDerWaalsContact O-N 3.13Å; V226-R228 PolarHBondContact O-NH1 3.3Å; R228-Y248 HydrophobicContact CG-CD1 3.94Å; R228-Y248 HydrophobicContact CG-CE1 4.09Å; R228-Y248 HydrophobicContact CG-CG 4.44Å; R228-H249 WeakPolarHBondContact CA-NE2 3.39Å
229T93.1Very high80.6Confident9 Ų961.2 Ų61.26%0.05539%0.394CS..  trans-97.1133.3177.3-157.70000111.7G135 S138 I139 A231 H249G135-T229 PolarHBondContact N-OG1 2.93Å; G135-T229 PolarHBondContact O-OG1 3.17Å; S138-T229 VanDerWaalsContact OG-CB 3.28Å; S138-T229 WeakPolarHBondContact OG-CB 3.22Å; S138-T229 PolarHBondContact OG-OG1 3.24Å; I139-T229 HydrophobicContact CD1-CG2 3.78Å; I139-T229 HydrophobicContact CG1-CG2 3.79Å; T229-A231 HydrophobicContact CG2-CB 4.48Å; T229-A231 WeakPolarHBondContact CG2-O 3.48Å; T229-A231 PolarHBondContact O-N 3.13Å; T229-H249 PolarHBondContact N-NE2 2.96Å; T229-H249 PolarHBondContact O-CE1 3.41Å
230G91.5Very high83.5Confident48 Ų4859.1 Ų59.150%0.49537%0.367SS..SBendtrans-72.4-10.2173.800000113.9P258G230-P258 WeakPolarHBondContact O-CD 3.4Å
231A93.4Very high86.1Confident1 Ų154.9 Ų54.91%0.00835%0.348CS..PPolyproline II helixtrans-82.4133.3179.300000111.2T229 R255 V256T229-A231 HydrophobicContact CG2-CB 4.48Å; T229-A231 WeakPolarHBondContact CG2-O 3.48Å; T229-A231 PolarHBondContact O-N 3.13Å; A231-R255 HydrophobicContact CB-CB 3.85Å; A231-R255 WeakPolarHBondContact O-CD 3.37Å; A231-V256 CarbonylContact C-O 3.59Å; A231-V256 WeakPolarHBondContact CA-O 3.28Å; A231-V256 WeakPolarHBondContact CB-O 3.41Å
232K93.9Very high88.4Confident120 Ų12055.2 Ų55.252%0.52234%0.342SS..EExtended strand (participates in β ladder)trans-99147.4-174-60.3-55.8-168.9179.90111.5R255 V256K232-R255 CarbonylContact O-C 3.57Å; K232-R255 WeakPolarHBondContact O-CA 3.22Å; K232-V256 PolarHBondContact N-O 3.11Å; K232-V256 PolarHBondContact O-N 3.3Å
233C94.8Very high90.3Very high24 Ų2458.3 Ų58.316%0.16234%0.341CS..EExtended strand (participates in β ladder)trans-54.8140.7177.5-59.20000111.9P238 V253C233-P238 PolarHBondContact SG-O 3.49Å; C233-V253 HydrophobicContact CB-CG2 4.28Å; C233-V253 VanDerWaalsContact SG-CG2 3.59Å
234V93.7Very high91.7Very high4 Ų457.6 Ų57.62%0.02435%0.346CS..PPolyproline II helixtrans-67.4137.6175.5171.60000109.9G236 S237 L254 V256 L267 L460 P462V234-G236 PolarHBondContact O-N 3.06Å; V234-S237 WeakPolarHBondContact O-CB 3.37Å; V234-S237 PolarHBondContact O-N 2.81Å; V234-S237 PolarHBondContact O-OG 2.79Å; V234-L254 HydrophobicContact CB-CB 4.25Å; V234-L254 HydrophobicContact CG2-CB 3.75Å; V234-L254 WeakPolarHBondContact CG2-O 3.37Å; V234-L254 PolarHBondContact N-O 2.97Å; V234-V256 HydrophobicContact CG2-CG2 3.72Å; V234-L267 HydrophobicContact CG2-CD2 3.4Å; V234-L460 HydrophobicContact CG1-CB 4.36Å; V234-L460 WeakPolarHBondContact CG1-O 3.27Å; V234-P462 HydrophobicContact CG1-CG 3.82Å; V234-P462 HydrophobicContact CG2-CG 4.32Å
235P90.4Very high92.3Very high111 Ų11155.8 Ų55.872%0.72134%0.335SS*.THydrogen-bonded Turntrans-49.3135.1176.1-30.636.2000113.5S237P235-S237 VanDerWaalsContact C-N 3.32Å
236G90.3Very high92.2Very high70 Ų7058.9 Ų58.972%0.72235%0.353SS*.THydrogen-bonded Turntrans87.1-9.5-171.300000114.8V234 L460V234-G236 PolarHBondContact O-N 3.06Å; G236-L460 VanDerWaalsContact C-CD1 3.48Å; G236-L460 WeakPolarHBondContact O-CD1 3.19Å
237S90.1Very high92.2Very high23 Ų2359.8 Ų59.816%0.16136%0.364CS..SBendtrans-82.5158.6167.8-41.90000110.2V234 P235 A239 L460V234-S237 WeakPolarHBondContact O-CB 3.37Å; V234-S237 PolarHBondContact O-N 2.81Å; V234-S237 PolarHBondContact O-OG 2.79Å; P235-S237 VanDerWaalsContact C-N 3.32Å; S237-A239 PolarHBondContact O-N 3.46Å; S237-L460 WeakPolarHBondContact OG-CD1 3.46Å
238P89.7Confident92.3Very high85 Ų8559.8 Ų59.855%0.55236%0.363SS*.PPolyproline II helixtrans-50.4134.4162.7-25.935000111.2C233C233-P238 PolarHBondContact SG-O 3.49Å
239A92.1Very high92.3Very high76 Ų7656.3 Ų56.363%0.62835%0.35SS*.PPolyproline II helixtrans-66.9161.3172.900000110.9S237 S250S237-A239 PolarHBondContact O-N 3.46Å; A239-S250 WeakPolarHBondContact O-CB 3.19Å; A239-S250 PolarHBondContact O-OG 3.27Å
240D95.1Very high92.4Very high21 Ų2157 Ų5711%0.11236%0.356CS..PPolyproline II helixtrans-66.4127.9165.7-72.6-46.8000108.4L242 H249 S250 R255D240-L242 HydrophobicContact CB-CD2 4.08Å; D240-L242 PolarHBondContact O-N 3.49Å; D240-H249 VanDerWaalsContact OD1-CA 3.26Å; D240-H249 WeakPolarHBondContact OD1-CA 3.24Å; D240-H249 WeakPolarHBondContact OD1-CB 3.42Å; D240-H249 IonicContact OD1-CG 3.55Å; D240-H249 IonicContact OD1-ND1 2.85Å; D240-H249 PolarHBondContact OD1-ND1 3.26Å; D240-H249 IonicContact OD2-CE1 3.96Å; D240-H249 IonicContact OD2-ND1 3.59Å; D240-H249 PolarHBondContact OD2-ND1 3.4Å; D240-S250 PolarHBondContact OD1-N 2.95Å; D240-R255 IonicContact OD1-CZ 3.37Å; D240-R255 IonicContact OD1-NH2 3.92Å; D240-R255 PolarHBondContact OD1-NH2 3.07Å
241P94.4Very high92.6Very high64 Ų6458.1 Ų58.142%0.41635%0.353SS..  trans-73.2-11.8-173.4-19.533.2000115R243 Y248P241-R243 HydrophobicContact CB-CG 4.17Å; P241-R243 PolarHBondContact O-N 3.42Å; P241-Y248 WeakPolarHBondContact CD-O 3.42Å
242L94Very high92.6Very high100 Ų10059.4 Ų59.452%0.52437%0.366SS..  trans56.218.1179.2-49.4-177.3000115.3D240 Y248D240-L242 HydrophobicContact CB-CD2 4.08Å; D240-L242 PolarHBondContact O-N 3.49Å; L242-Y248 HydrophobicContact CB-CE2 4.41Å; L242-Y248 HydrophobicContact CD2-CD1 4.46Å; L242-Y248 HydrophobicContact CD2-CE1 3.91Å; L242-Y248 HydrophobicContact CD2-CE2 4.03Å; L242-Y248 PolarHBondContact N-O 3.48Å
243R93.2Very high92.6Very high176 Ų17654.9 Ų54.966%0.66435%0.348SS*.  trans-69.4162.9173.4-60.9178.6-179.9-171.2-1.5110.7P241 Y248P241-R243 HydrophobicContact CB-CG 4.17Å; P241-R243 PolarHBondContact O-N 3.42Å; R243-Y248 WeakPolarHBondContact O-CA 3.48Å; R243-Y248 VanDerWaalsContact O-CB 3.29Å; R243-Y248 WeakPolarHBondContact O-CB 3.42Å; R243-Y248 PolarHBondContact O-N 3.3Å
244P90.4Very high92.7Very high95 Ų9554.2 Ų54.262%0.61734%0.343SS*.SBendtrans-57.5155.8172.1-24.935.7000113.5Q223 G247Q223-P244 PolarHBondContact OE1-O 2.78Å; P244-G247 PolarHBondContact O-N 2.96Å; P244-G247 VanDerWaalsContact O-N 3.12Å
245G90.4Very high92.8Very high5 Ų554 Ų545%0.05234%0.342CS..G310 helixtrans46.7-136.6177.700000116.2S224 D225 G247 Y248S224-G245 WeakPolarHBondContact O-CA 3.31Å; D225-G245 WeakPolarHBondContact OD1-CA 3.37Å; G245-G247 PolarHBondContact O-N 3.25Å; G245-Y248 WeakPolarHBondContact O-CB 3.36Å; G245-Y248 PolarHBondContact O-N 2.92Å
246V88.9Confident92.9Very high76 Ų7650 Ų5046%0.46132%0.316SS..G310 helixtrans-50-21.1176-67.50000115.1Q223 S224 V226 Y248Q223-V246 HydrophobicContact CG-CG2 4.48Å; S224-V246 PolarHBondContact O-N 3.46Å; V226-V246 HydrophobicContact CG1-CB 4.39Å; V226-V246 HydrophobicContact CG1-CG1 3.94Å; V246-Y248 VanDerWaalsContact C-N 3.29Å; V246-Y248 PolarHBondContact O-N 3.35Å
247G90.3Very high93.1Very high25 Ų2547 Ų4726%0.25828%0.282SS..G310 helixtrans-77.4-4.9176.800000115.4P244 G245P244-G247 PolarHBondContact O-N 2.96Å; P244-G247 VanDerWaalsContact O-N 3.12Å; G245-G247 PolarHBondContact O-N 3.25Å
248Y94.3Very high92.7Very high39 Ų3949.6 Ų49.615%0.15330%0.299CS..SBendtrans-68.4-37.1-171.4-169.7-88.3000114.1R228 P241 L242 R243 G245 V246R228-Y248 HydrophobicContact CG-CD1 3.94Å; R228-Y248 HydrophobicContact CG-CE1 4.09Å; R228-Y248 HydrophobicContact CG-CG 4.44Å; P241-Y248 WeakPolarHBondContact CD-O 3.42Å; L242-Y248 HydrophobicContact CB-CE2 4.41Å; L242-Y248 HydrophobicContact CD2-CD1 4.46Å; L242-Y248 HydrophobicContact CD2-CE1 3.91Å; L242-Y248 HydrophobicContact CD2-CE2 4.03Å; L242-Y248 PolarHBondContact N-O 3.48Å; R243-Y248 WeakPolarHBondContact O-CA 3.48Å; R243-Y248 VanDerWaalsContact O-CB 3.29Å; R243-Y248 WeakPolarHBondContact O-CB 3.42Å; R243-Y248 PolarHBondContact O-N 3.3Å; G245-Y248 WeakPolarHBondContact O-CB 3.36Å; G245-Y248 PolarHBondContact O-N 2.92Å; V246-Y248 VanDerWaalsContact C-N 3.29Å; V246-Y248 PolarHBondContact O-N 3.35Å
249H95.5Very high91.7Very high11 Ų1146.7 Ų46.75%0.05129%0.285CS..SBendtrans-119.7142.9-172.7-77.3-64.7000113.5I139 R228 T229 D240 T251I139-H249 HydrophobicContact CD1-CB 3.7Å; I139-H249 HydrophobicContact CG1-CB 4.32Å; I139-H249 HydrophobicContact CG2-CB 4.07Å; R228-H249 WeakPolarHBondContact CA-NE2 3.39Å; T229-H249 PolarHBondContact N-NE2 2.96Å; T229-H249 PolarHBondContact O-CE1 3.41Å; D240-H249 VanDerWaalsContact OD1-CA 3.26Å; D240-H249 WeakPolarHBondContact OD1-CA 3.24Å; D240-H249 WeakPolarHBondContact OD1-CB 3.42Å; D240-H249 IonicContact OD1-CG 3.55Å; D240-H249 IonicContact OD1-ND1 2.85Å; D240-H249 PolarHBondContact OD1-ND1 3.26Å; D240-H249 IonicContact OD2-CE1 3.96Å; D240-H249 IonicContact OD2-ND1 3.59Å; D240-H249 PolarHBondContact OD2-ND1 3.4Å; H249-T251 PolarHBondContact O-N 3.41Å
250S94.3Very high90.4Very high24 Ų2451.8 Ų51.817%0.16829%0.288CS..  trans-79.9100.8170.6-82.30000110.1A239 D240 V253 R255A239-S250 WeakPolarHBondContact O-CB 3.19Å; A239-S250 PolarHBondContact O-OG 3.27Å; D240-S250 PolarHBondContact OD1-N 2.95Å; S250-V253 VanDerWaalsContact O-CG2 3.32Å; S250-V253 WeakPolarHBondContact O-CG2 3.4Å; S250-R255 PolarHBondContact O-NH1 2.97Å; S250-R255 PolarHBondContact O-NH2 2.96Å
251T94.8Very high89.4Confident70 Ų7054.6 Ų54.643%0.42932%0.322SS..THydrogen-bonded Turntrans-72.3160.8-177.758.90000113.3D136 I139 H249 V253D136-T251 VanDerWaalsContact OD1-CA 3.3Å; D136-T251 WeakPolarHBondContact OD1-CA 3.5Å; I139-T251 HydrophobicContact CG2-CG2 4.06Å; H249-T251 PolarHBondContact O-N 3.41Å; T251-V253 PolarHBondContact O-N 2.85Å
252G93.5Very high88.7Confident29 Ų2955.2 Ų55.230%0.29932%0.319SS..THydrogen-bonded Turntrans82.9-26179.400000115.1D136 R318D136-G252 VanDerWaalsContact CG-N 3.28Å; D136-G252 PolarHBondContact OD1-N 3.37Å; D136-G252 PolarHBondContact OD2-N 2.98Å; G252-R318 WeakPolarHBondContact O-CD 3.5Å; G252-R318 PolarHBondContact O-NH1 3.15Å
253V94.1Very high88.1Confident24 Ų2455 Ų5515%0.14532%0.324CS..SBendtrans-70157.1-174.3-51.60000113.8C233 S250 T251 R255 R318C233-V253 HydrophobicContact CB-CG2 4.28Å; C233-V253 VanDerWaalsContact SG-CG2 3.59Å; S250-V253 VanDerWaalsContact O-CG2 3.32Å; S250-V253 WeakPolarHBondContact O-CG2 3.4Å; T251-V253 PolarHBondContact O-N 2.85Å; V253-R255 HydrophobicContact CG2-CG 4.31Å; V253-R318 PolarHBondContact O-NH1 3.48Å
254L96.3Very high87.9Confident11 Ų1146.8 Ų46.86%0.05829%0.293CS..  trans-69.8141170.4-70.3173.8000110.8V234 D271 F458 L460 W461V234-L254 HydrophobicContact CB-CB 4.25Å; V234-L254 HydrophobicContact CG2-CB 3.75Å; V234-L254 WeakPolarHBondContact CG2-O 3.37Å; V234-L254 PolarHBondContact N-O 2.97Å; L254-D271 HydrophobicContact CD2-CB 3.8Å; L254-F458 HydrophobicContact CD1-CB 4.1Å; L254-F458 HydrophobicContact CD1-CD1 4.2Å; L254-F458 HydrophobicContact CD1-CG 4.39Å; L254-F458 HydrophobicContact CD2-CD1 3.6Å; L254-F458 HydrophobicContact CD2-CE1 3.83Å; L254-F458 HydrophobicContact CD2-CG 4.08Å; L254-F458 HydrophobicContact CD2-CZ 4.47Å; L254-F458 HydrophobicContact CG-CD1 4.02Å; L254-L460 HydrophobicContact CD1-CB 4.41Å; L254-W461 HydrophobicContact CD1-CB 4.16Å; L254-W461 HydrophobicContact CD1-CE3 4.49Å; L254-W461 HydrophobicContact CD2-CE3 4.06Å; L254-W461 HydrophobicContact CD2-CZ3 4.36Å
255R95.9Very high87.9Confident0 Ų045.4 Ų45.40%028%0.28CS..EExtended strand (participates in β ladder)trans-130.1139.2-178.1-69.2-176.2161.584.84.4113.7D136 A231 K232 D240 S250 V253 L267 S268 D271D136-R255 IonicContact OD1-NH1 2.73Å; D136-R255 PolarHBondContact OD1-NH1 3.09Å; A231-R255 HydrophobicContact CB-CB 3.85Å; A231-R255 WeakPolarHBondContact O-CD 3.37Å; K232-R255 CarbonylContact O-C 3.57Å; K232-R255 WeakPolarHBondContact O-CA 3.22Å; D240-R255 IonicContact OD1-CZ 3.37Å; D240-R255 IonicContact OD1-NH2 3.92Å; D240-R255 PolarHBondContact OD1-NH2 3.07Å; S250-R255 PolarHBondContact O-NH1 2.97Å; S250-R255 PolarHBondContact O-NH2 2.96Å; V253-R255 HydrophobicContact CG2-CG 4.31Å; R255-L267 CarbonylContact O-C 3.36Å; R255-L267 VanDerWaalsContact O-CA 3.28Å; R255-L267 WeakPolarHBondContact O-CA 3.43Å; R255-L267 VanDerWaalsContact O-CD2 3.23Å; R255-L267 WeakPolarHBondContact O-CD2 3.48Å; R255-S268 PolarHBondContact O-N 2.76Å; R255-D271 PolarHBondContact N-OD2 3.39Å
256V94.1Very high88Confident27 Ų2745.7 Ų45.716%0.16428%0.281CS..EExtended strand (participates in β ladder)trans-87.8137.5168.6-170.10000109.5A231 K232 V234 T264 L267A231-V256 CarbonylContact C-O 3.59Å; A231-V256 WeakPolarHBondContact CA-O 3.28Å; A231-V256 WeakPolarHBondContact CB-O 3.41Å; K232-V256 PolarHBondContact N-O 3.11Å; K232-V256 PolarHBondContact O-N 3.3Å; V234-V256 HydrophobicContact CG2-CG2 3.72Å; V256-T264 HydrophobicContact CG1-CG2 4.26Å; V256-T264 WeakPolarHBondContact CG1-O 3.5Å; V256-L267 HydrophobicContact CG2-CD2 4.13Å
257K92.8Very high88.4Confident5 Ų542.4 Ų42.42%0.02226%0.261CS..PPolyproline II helixtrans-65.4153.9175.4-69.7174.9173.1-175.50111.5C62 D77 H79 G259 T264 S266 L267 C269C62-K257 WeakPolarHBondContact SG-CD 3.48Å; D77-K257 IonicContact OD1-NZ 3.49Å; D77-K257 PolarHBondContact OD1-NZ 2.86Å; D77-K257 IonicContact OD2-NZ 3.32Å; D77-K257 PolarHBondContact OD2-NZ 3.14Å; H79-K257 PolarHBondContact CD2-NZ 2.92Å; K257-G259 PolarHBondContact O-N 3.19Å; K257-T264 HydrophobicContact CB-CG2 4.01Å; K257-T264 WeakPolarHBondContact O-CG2 3.44Å; K257-S266 WeakPolarHBondContact CB-O 3.4Å; K257-S266 WeakPolarHBondContact CG-O 3.48Å; K257-S266 PolarHBondContact N-O 2.74Å; K257-L267 WeakPolarHBondContact CD-O 3.39Å; K257-L267 WeakPolarHBondContact CE-O 3.36Å; K257-C269 WeakPolarHBondContact CE-SG 3.48Å; K257-C269 PolarHBondContact NZ-SG 3.21Å
258P82.2Confident88.7Confident78 Ų7841.2 Ų41.251%0.50625%0.249SC..PPolyproline II helixtrans-63.2134.1165.828.8-32.9000109.5G230G230-P258 WeakPolarHBondContact O-CD 3.4Å
259G68.7Low88.9Confident25 Ų2539.4 Ų39.426%0.25824%0.242SC..PPolyproline II helixtrans-92170.2172.800000112.1K257 G261 E262K257-G259 PolarHBondContact O-N 3.19Å; G259-G261 VanDerWaalsContact C-N 3.26Å; G259-G261 PolarHBondContact O-N 3.26Å; G259-E262 CarbonylContact C-O 3.57Å; G259-E262 VanDerWaalsContact CA-O 3.3Å; G259-E262 WeakPolarHBondContact CA-O 3.5Å
260R65.4Low89Confident183 Ų18338.9 Ų38.969%0.69124%0.239SC*.SBendtrans-80.873.6178-165.7179.7-176.8-163-4.6110.3E262 N383R260-E262 PolarHBondContact O-N 3.07Å; R260-N383 PolarHBondContact NH1-OD1 2.61Å
261G74.6Confident89.2Confident80 Ų8037.7 Ų37.783%0.82523%0.231SC*.SBendtrans87-72.4-172.200000111.2G259G259-G261 VanDerWaalsContact C-N 3.26Å; G259-G261 PolarHBondContact O-N 3.26Å
262E78.4Confident89.4Confident76 Ų7635.8 Ų35.836%0.35522%0.217SC..SBendtrans-69.8137.1172.9-169.7-161.7-16900110.9G64 K65 A66 G259 R260G64-E262 VanDerWaalsContact CA-OE2 3.27Å; G64-E262 WeakPolarHBondContact CA-OE2 3.4Å; K65-E262 WeakPolarHBondContact CB-OE1 3.36Å; K65-E262 PolarHBondContact N-OE2 2.77Å; A66-E262 WeakPolarHBondContact CB-OE1 3.26Å; A66-E262 WeakPolarHBondContact CB-OE2 3.42Å; A66-E262 VanDerWaalsContact N-CD 3.25Å; A66-E262 PolarHBondContact N-OE1 3.01Å; A66-E262 PolarHBondContact N-OE2 3.07Å; G259-E262 CarbonylContact C-O 3.57Å; G259-E262 VanDerWaalsContact CA-O 3.3Å; G259-E262 WeakPolarHBondContact CA-O 3.5Å; R260-E262 PolarHBondContact O-N 3.07Å
263P83.1Confident89.6Confident96 Ų9635 Ų3562%0.62321%0.206SC*.PPolyproline II helixtrans-52.3140.8170.2-27.735.6000113.6K65K65-P263 PolarHBondContact N-O 2.88Å
264T89Confident89.8Confident3 Ų333.9 Ų33.92%0.01820%0.199CC..PPolyproline II helixtrans-94.3162171.4-171.50000110.8C62 V63 V256 K257 S266C62-T264 HydrophobicContact CB-CG2 3.95Å; V63-T264 WeakPolarHBondContact O-CB 3.19Å; V63-T264 PolarHBondContact O-OG1 3.44Å; V256-T264 HydrophobicContact CG1-CG2 4.26Å; V256-T264 WeakPolarHBondContact CG1-O 3.5Å; K257-T264 HydrophobicContact CB-CG2 4.01Å; K257-T264 WeakPolarHBondContact O-CG2 3.44Å; T264-S266 VanDerWaalsContact C-N 3.33Å; T264-S266 PolarHBondContact OG1-N 3.5Å
265L88.8Confident89.9Confident67 Ų6735 Ų3535%0.35120%0.203SC..SBendtrans-92.86166.9-59.6-174.7000112.6K65 M68 L267K65-L265 HydrophobicContact CB-CG 4.46Å; K65-L265 HydrophobicContact CD-CD2 4.49Å; K65-L265 HydrophobicContact CG-CD1 4.26Å; K65-L265 HydrophobicContact CG-CG 4.23Å; M68-L265 HydrophobicContact CE-CB 4.03Å; M68-L265 HydrophobicContact CE-CD1 4.13Å; M68-L265 HydrophobicContact CE-CG 4.41Å; M68-L265 HydrophobicContact SD-CB 3.95Å; M68-L265 HydrophobicContact SD-CD1 3.8Å; M68-L265 HydrophobicContact SD-CG 3.84Å; L265-L267 PolarHBondContact O-N 3.29Å
266S93.8Very high90Very high11 Ų1135.6 Ų35.68%0.07721%0.205CC..  trans-79.8110.1179.6-72.30000112K257 T264K257-S266 WeakPolarHBondContact CB-O 3.4Å; K257-S266 WeakPolarHBondContact CG-O 3.48Å; K257-S266 PolarHBondContact N-O 2.74Å; T264-S266 VanDerWaalsContact C-N 3.33Å; T264-S266 PolarHBondContact OG1-N 3.5Å
267L96.1Very high90.2Very high6 Ų635 Ų353%0.03120%0.204CC..BIsolated β-bridgetrans-59.7162.2168.4-70.1179.5000113.1V234 R255 V256 K257 L265 D271 K272 W461 P462V234-L267 HydrophobicContact CG2-CD2 3.4Å; R255-L267 CarbonylContact O-C 3.36Å; R255-L267 VanDerWaalsContact O-CA 3.28Å; R255-L267 WeakPolarHBondContact O-CA 3.43Å; R255-L267 VanDerWaalsContact O-CD2 3.23Å; R255-L267 WeakPolarHBondContact O-CD2 3.48Å; V256-L267 HydrophobicContact CG2-CD2 4.13Å; K257-L267 WeakPolarHBondContact CD-O 3.39Å; K257-L267 WeakPolarHBondContact CE-O 3.36Å; L265-L267 PolarHBondContact O-N 3.29Å; L267-D271 HydrophobicContact CB-CB 4.48Å; L267-K272 VanDerWaalsContact O-CE 3.29Å; L267-K272 WeakPolarHBondContact O-CE 3.43Å; L267-K272 PolarHBondContact O-NZ 2.74Å; L267-W461 HydrophobicContact CD1-CD2 3.33Å; L267-W461 HydrophobicContact CD1-CE3 3.49Å; L267-W461 VanDerWaalsContact CD1-CE3 3.49Å; L267-W461 HydrophobicContact CD1-CG 3.98Å; L267-W461 HydrophobicContact CD1-CH2 3.69Å; L267-W461 HydrophobicContact CD1-CZ2 3.58Å; L267-W461 HydrophobicContact CD1-CZ3 3.66Å; L267-P462 HydrophobicContact CD2-CG 4.28Å
268S97.4Very high90.5Very high0 Ų034.7 Ų34.70%020%0.203CC..  trans-61.3162179.685.60000112.9C134 R255 S270 D271 K272C134-S268 VanDerWaalsContact O-CB 3.24Å; C134-S268 WeakPolarHBondContact O-CB 3.26Å; C134-S268 PolarHBondContact O-OG 3.4Å; R255-S268 PolarHBondContact O-N 2.76Å; S268-S270 PolarHBondContact OG-OG 3.17Å; S268-S270 VanDerWaalsContact OG-OG 3.13Å; S268-D271 WeakPolarHBondContact CB-OD2 3.43Å; S268-D271 PolarHBondContact OG-N 3.12Å; S268-D271 PolarHBondContact OG-OD2 3.49Å; S268-K272 WeakPolarHBondContact O-CB 3.27Å; S268-K272 WeakPolarHBondContact O-CD 3.48Å; S268-K272 WeakPolarHBondContact O-CG 3.48Å; S268-K272 PolarHBondContact O-N 3.33Å
269C98.3Very high91.3Very high1 Ų131 Ų311%0.00718%0.179CC..Hα-helixtrans-72.9-36.6-179.3-68.70000112E81 P133 C134 K257 D271 K272 L273E81-C269 HydrophobicContact CG-CB 4.4Å; E81-C269 WeakPolarHBondContact OE1-CB 3.38Å; E81-C269 PolarHBondContact OE1-SG 3.22Å; E81-C269 PolarHBondContact OE2-SG 3.12Å; P133-C269 HydrophobicContact CB-CB 3.88Å; C134-C269 PolarHBondContact O-N 3.01Å; C134-C269 VanDerWaalsContact O-N 3.15Å; C134-C269 PolarHBondContact SG-N 2.91Å; K257-C269 WeakPolarHBondContact CE-SG 3.48Å; K257-C269 PolarHBondContact NZ-SG 3.21Å; C269-D271 PolarHBondContact O-N 2.95Å; C269-K272 PolarHBondContact O-N 3.33Å; C269-L273 WeakPolarHBondContact O-CB 3.08Å; C269-L273 WeakPolarHBondContact O-CD1 3.16Å; C269-L273 VanDerWaalsContact O-CG 3.26Å; C269-L273 WeakPolarHBondContact O-CG 3.48Å; C269-L273 PolarHBondContact O-N 3.19Å
270S98.2Very high92.7Very high0 Ų029.8 Ų29.80%017%0.167CC..Hα-helixtrans-60.7-41.4173.852.10000113C134 G135 D136 S268 K272 L273 A274C134-S270 WeakPolarHBondContact O-CB 3.45Å; C134-S270 PolarHBondContact O-N 3.11Å; C134-S270 PolarHBondContact O-OG 2.79Å; G135-S270 WeakPolarHBondContact CA-OG 3.47Å; D136-S270 PolarHBondContact N-OG 3.16Å; S268-S270 PolarHBondContact OG-OG 3.17Å; S268-S270 VanDerWaalsContact OG-OG 3.13Å; S270-K272 VanDerWaalsContact C-N 3.35Å; S270-K272 PolarHBondContact O-N 2.9Å; S270-L273 PolarHBondContact O-N 3.13Å; S270-A274 WeakPolarHBondContact O-CB 3.28Å; S270-A274 PolarHBondContact O-N 2.87Å
271D98.2Very high94.3Very high0 Ų021.1 Ų21.10%013%0.134CC..Hα-helixtrans-66.2-37.5174.5-56.8-35.9000112.5L254 R255 L267 S268 C269 R275 R318 W461L254-D271 HydrophobicContact CD2-CB 3.8Å; R255-D271 PolarHBondContact N-OD2 3.39Å; L267-D271 HydrophobicContact CB-CB 4.48Å; S268-D271 WeakPolarHBondContact CB-OD2 3.43Å; S268-D271 PolarHBondContact OG-N 3.12Å; S268-D271 PolarHBondContact OG-OD2 3.49Å; C269-D271 PolarHBondContact O-N 2.95Å; D271-R275 WeakPolarHBondContact O-CB 3.41Å; D271-R275 PolarHBondContact O-N 2.8Å; D271-R318 IonicContact OD1-CZ 3.99Å; D271-R318 VanDerWaalsContact OD1-CZ 3.25Å; D271-R318 IonicContact OD1-NH1 2.83Å; D271-R318 PolarHBondContact OD1-NH1 3.15Å; D271-R318 IonicContact OD1-NH2 2.96Å; D271-R318 PolarHBondContact OD1-NH2 2.92Å; D271-W461 HydrophobicContact CB-CZ3 4.28Å
272K98.2Very high95.4Very high29 Ų2917.5 Ų17.513%0.12610%0.095CC..Hα-helixtrans-66.9-41.9176.4-79.3166.9173.8155.90111.6D77 V82 L267 S268 C269 S270 R275 W276 W461D77-K272 IonicContact OD2-NZ 3.42Å; D77-K272 PolarHBondContact OD2-NZ 2.94Å; V82-K272 HydrophobicContact CG2-CD 3.99Å; L267-K272 VanDerWaalsContact O-CE 3.29Å; L267-K272 WeakPolarHBondContact O-CE 3.43Å; L267-K272 PolarHBondContact O-NZ 2.74Å; S268-K272 WeakPolarHBondContact O-CB 3.27Å; S268-K272 WeakPolarHBondContact O-CD 3.48Å; S268-K272 WeakPolarHBondContact O-CG 3.48Å; S268-K272 PolarHBondContact O-N 3.33Å; C269-K272 PolarHBondContact O-N 3.33Å; S270-K272 VanDerWaalsContact C-N 3.35Å; S270-K272 PolarHBondContact O-N 2.9Å; K272-R275 PolarHBondContact O-N 3.19Å; K272-W276 HydrophobicContact CB-CH2 4.12Å; K272-W276 HydrophobicContact CB-CZ2 3.64Å; K272-W276 HydrophobicContact CG-CZ2 4.35Å; K272-W276 PolarHBondContact O-N 2.93Å; K272-W276 PolarHBondContact O-NE1 3.02Å; K272-W461 HydrophobicContact CG-CH2 4.3Å
273L98.4Very high96.4Very high12 Ų1214.2 Ų14.26%0.0638%0.082CC..Hα-helixtrans-65.5-49.2176.4-73.9164000112L127 P133 C269 S270 R275 W276 G277 L315L127-L273 HydrophobicContact CD2-CD1 4.42Å; L127-L273 HydrophobicContact CD2-CD2 3.25Å; L127-L273 HydrophobicContact CD2-CG 4.45Å; P133-L273 HydrophobicContact CB-CD1 3.63Å; P133-L273 HydrophobicContact CG-CD1 3.37Å; C269-L273 WeakPolarHBondContact O-CB 3.08Å; C269-L273 WeakPolarHBondContact O-CD1 3.16Å; C269-L273 VanDerWaalsContact O-CG 3.26Å; C269-L273 WeakPolarHBondContact O-CG 3.48Å; C269-L273 PolarHBondContact O-N 3.19Å; S270-L273 PolarHBondContact O-N 3.13Å; L273-R275 PolarHBondContact O-N 2.77Å; L273-W276 HydrophobicContact CD2-CE3 3.62Å; L273-W276 HydrophobicContact CD2-CZ3 3.65Å; L273-W276 HydrophobicContact CG-CE3 4.26Å; L273-W276 HydrophobicContact CG-CZ3 4.17Å; L273-W276 CarbonylContact O-C 3.56Å; L273-W276 WeakPolarHBondContact O-CA 3.45Å; L273-W276 PolarHBondContact O-N 2.88Å; L273-G277 PolarHBondContact O-N 2.86Å; L273-L315 HydrophobicContact CB-CD2 3.59Å; L273-L315 HydrophobicContact CD1-CD2 4.21Å
274A98.3Very high97.1Very high1 Ų19.9 Ų9.91%0.0085%0.054CC..Hα-helixtrans-56.3-39.2174.800000111.8S270 G277 C319 F458S270-A274 WeakPolarHBondContact O-CB 3.28Å; S270-A274 PolarHBondContact O-N 2.87Å; A274-G277 PolarHBondContact O-N 2.74Å; A274-C319 PolarHBondContact O-SG 3.27Å; A274-F458 HydrophobicContact CB-CE2 4.32Å; A274-F458 HydrophobicContact CB-CZ 3.82Å
275R98.3Very high97.6Very high34 Ų3410.7 Ų10.713%0.1286%0.058CC..Hα-helixtrans-64.8-39.4171.9171.8175.4177.8160.911113.7D271 K272 L273 G277 V278 L279 W450 L453 F458 W461D271-R275 WeakPolarHBondContact O-CB 3.41Å; D271-R275 PolarHBondContact O-N 2.8Å; K272-R275 PolarHBondContact O-N 3.19Å; L273-R275 PolarHBondContact O-N 2.77Å; R275-G277 VanDerWaalsContact C-N 3.25Å; R275-V278 PolarHBondContact O-N 3.23Å; R275-L279 HydrophobicContact CG-CD1 3.93Å; R275-L279 HydrophobicContact CG-CG 4.22Å; R275-L279 VanDerWaalsContact NE-CD1 3.25Å; R275-L279 PolarHBondContact O-N 2.88Å; R275-W450 HydrophobicContact CG-CZ3 4.33Å; R275-W450 VanDerWaalsContact CZ-CE2 3.49Å; R275-L453 HydrophobicContact CB-CD2 4.14Å; R275-L453 HydrophobicContact CG-CD2 3.81Å; R275-F458 HydrophobicContact CB-CE2 4.19Å; R275-W461 HydrophobicContact CB-CH2 3.83Å; R275-W461 HydrophobicContact CB-CZ3 3.81Å; R275-W461 VanDerWaalsContact CD-CZ2 3.46Å; R275-W461 HydrophobicContact CG-CH2 4.15Å; R275-W461 HydrophobicContact CG-CZ3 4.35Å; R275-W461 VanDerWaalsContact NH1-CE2 3.25Å; R275-W461 VanDerWaalsContact NH1-CZ2 3.31Å
276W98.6Very high98Very high13 Ų137.6 Ų7.65%0.0494%0.042CC..Hα-helixtrans-70.9-24.5175.9-53.3-23.9000111.7V82 R85 K272 L273 V278 G280 F281 Y295 F296V82-W276 HydrophobicContact CG2-CH2 4.42Å; R85-W276 HydrophobicContact CB-CH2 4.04Å; R85-W276 HydrophobicContact CB-CZ3 4.14Å; R85-W276 VanDerWaalsContact CD-CH2 3.42Å; R85-W276 HydrophobicContact CG-CH2 4.36Å; R85-W276 HydrophobicContact CG-CZ2 4.47Å; R85-W276 HydrophobicContact CG-CZ3 4.45Å; K272-W276 HydrophobicContact CB-CH2 4.12Å; K272-W276 HydrophobicContact CB-CZ2 3.64Å; K272-W276 HydrophobicContact CG-CZ2 4.35Å; K272-W276 PolarHBondContact O-N 2.93Å; K272-W276 PolarHBondContact O-NE1 3.02Å; L273-W276 HydrophobicContact CD2-CE3 3.62Å; L273-W276 HydrophobicContact CD2-CZ3 3.65Å; L273-W276 HydrophobicContact CG-CE3 4.26Å; L273-W276 HydrophobicContact CG-CZ3 4.17Å; L273-W276 CarbonylContact O-C 3.56Å; L273-W276 WeakPolarHBondContact O-CA 3.45Å; L273-W276 PolarHBondContact O-N 2.88Å; W276-V278 PolarHBondContact O-N 3.2Å; W276-G280 CarbonylContact O-C 3.47Å; W276-G280 WeakPolarHBondContact O-CA 3.38Å; W276-G280 PolarHBondContact O-N 3.2Å; W276-F281 HydrophobicContact CB-CB 4.21Å; W276-F281 HydrophobicContact CG-CB 4.3Å; W276-Y295 WeakPolarHBondContact O-CD1 3.33Å; W276-F296 AromaticContact CE3-CE2 3.97Å; W276-F296 HydrophobicContact CE3-CE2 3.97Å; W276-F296 HydrophobicContact CZ3-CE2 4.47Å
277G98.3Very high98.3Very high14 Ų147.3 Ų7.314%0.1444%0.04CC..Hα-helixtrans-61.8-13.7168.300000114.6L273 A274 R275 Y295 C332L273-G277 PolarHBondContact O-N 2.86Å; A274-G277 PolarHBondContact O-N 2.74Å; R275-G277 VanDerWaalsContact C-N 3.25Å; G277-Y295 VanDerWaalsContact O-CE1 3.32Å; G277-Y295 WeakPolarHBondContact O-CE1 3.06Å; G277-C332 WeakPolarHBondContact O-CB 3.46Å; G277-C332 PolarHBondContact O-N 2.74Å
278V98.5Very high98.4Very high0 Ų07 Ų70%04%0.038CC..Hα-helixtrans-119.5-41.8177.4-178.50000112.9R275 W276 Y295 C319 V322 L325 S330 V331 L453R275-V278 PolarHBondContact O-N 3.23Å; W276-V278 PolarHBondContact O-N 3.2Å; V278-Y295 PolarHBondContact O-OH 3.13Å; V278-C319 HydrophobicContact CG2-CB 3.64Å; V278-V322 HydrophobicContact CG1-CG1 4.2Å; V278-L325 HydrophobicContact CG1-CD1 3.82Å; V278-L325 HydrophobicContact CG1-CD2 3.82Å; V278-L325 HydrophobicContact CG1-CG 4.49Å; V278-S330 WeakPolarHBondContact CA-O 3.44Å; V278-V331 HydrophobicContact CG2-CG1 4.23Å; V278-V331 HydrophobicContact CG2-CG2 4.14Å; V278-L453 HydrophobicContact CB-CD1 4.18Å; V278-L453 HydrophobicContact CB-CD2 4.13Å; V278-L453 HydrophobicContact CG1-CB 4.3Å; V278-L453 HydrophobicContact CG1-CD1 4.33Å; V278-L453 HydrophobicContact CG1-CD2 4.47Å; V278-L453 HydrophobicContact CG2-CD1 4.01Å
279L98.5Very high98.4Very high0 Ų07 Ų70%04%0.038CC..Hα-helixtrans-90.1-2.1-179.9-49.6-173.1000114.2R275 Q282 F329 Y446 A449 W450 L453R275-L279 HydrophobicContact CG-CD1 3.93Å; R275-L279 HydrophobicContact CG-CG 4.22Å; R275-L279 VanDerWaalsContact NE-CD1 3.25Å; R275-L279 PolarHBondContact O-N 2.88Å; L279-Q282 PolarHBondContact O-NE2 3.03Å; L279-F329 WeakPolarHBondContact O-CE1 3.47Å; L279-Y446 HydrophobicContact CB-CD2 4.46Å; L279-Y446 HydrophobicContact CB-CE2 3.71Å; L279-Y446 HydrophobicContact CD1-CE1 4.23Å; L279-Y446 HydrophobicContact CD1-CE2 4.11Å; L279-Y446 WeakPolarHBondContact CD1-OH 3.07Å; L279-A449 VanDerWaalsContact CD2-C 3.47Å; L279-A449 HydrophobicContact CD2-CB 3.81Å; L279-A449 WeakPolarHBondContact CD2-O 3.45Å; L279-W450 HydrophobicContact CD1-CB 3.97Å; L279-W450 HydrophobicContact CD1-CD2 4.03Å; L279-W450 HydrophobicContact CD1-CE3 3.67Å; L279-W450 HydrophobicContact CD1-CG 4.17Å; L279-W450 HydrophobicContact CD2-CB 4.22Å; L279-L453 HydrophobicContact CD1-CD2 4.36Å; L279-L453 HydrophobicContact CD2-CB 4.36Å; L279-L453 HydrophobicContact CD2-CD2 4.07Å; L279-L453 HydrophobicContact CG-CD2 3.92Å
280G98.6Very high98.4Very high0 Ų07.3 Ų7.30%04%0.04CC..  trans65166.1-16100000113.5W276 L294W276-G280 CarbonylContact O-C 3.47Å; W276-G280 WeakPolarHBondContact O-CA 3.38Å; W276-G280 PolarHBondContact O-N 3.2Å; G280-L294 CarbonylContact C-O 3.6Å; G280-L294 WeakPolarHBondContact CA-O 3.44Å
281F98.7Very high98.4Very high0 Ų08.1 Ų8.10%04%0.043CC..SBendtrans-84.1-17.717971.3-99000112.9R85 C88 L92 F125 W276 G283 L294 F296R85-F281 HydrophobicContact CG-CB 4.32Å; R85-F281 PolarHBondContact NE-O 2.69Å; R85-F281 PolarHBondContact NH2-O 3.4Å; C88-F281 VanDerWaalsContact SG-CE2 3.55Å; L92-F281 HydrophobicContact CD1-CE2 3.75Å; L92-F281 HydrophobicContact CD1-CZ 4.33Å; F125-F281 HydrophobicContact CB-CE1 3.94Å; F125-F281 HydrophobicContact CB-CZ 4.13Å; F125-F281 HydrophobicContact CD1-CZ 4.33Å; F125-F281 AromaticContact CD2-CE1 3.95Å; F125-F281 HydrophobicContact CD2-CE1 3.95Å; F125-F281 AromaticContact CD2-CZ 3.63Å; F125-F281 HydrophobicContact CD2-CZ 3.63Å; F125-F281 HydrophobicContact CE2-CZ 4.06Å; F125-F281 HydrophobicContact CG-CE1 4.05Å; F125-F281 AromaticContact CG-CZ 3.77Å; F125-F281 HydrophobicContact CG-CZ 3.77Å; W276-F281 HydrophobicContact CB-CB 4.21Å; W276-F281 HydrophobicContact CG-CB 4.3Å; F281-G283 VanDerWaalsContact C-N 3.33Å; F281-G283 PolarHBondContact O-N 2.72Å; F281-L294 HydrophobicContact CD1-CB 4.24Å; F281-L294 WeakPolarHBondContact CD1-O 3.43Å; F281-L294 HydrophobicContact CE1-CB 3.72Å; F281-L294 WeakPolarHBondContact CE1-O 3.41Å; F281-L294 HydrophobicContact CZ-CB 3.9Å; F281-L294 HydrophobicContact CZ-CD1 4.49Å; F281-L294 PolarHBondContact N-O 2.93Å; F281-F296 HydrophobicContact CB-CE2 3.88Å; F281-F296 HydrophobicContact CB-CZ 3.8Å; F281-F296 AromaticContact CD1-CD1 3.75Å; F281-F296 HydrophobicContact CD1-CD1 3.75Å; F281-F296 HydrophobicContact CD1-CD2 4.33Å; F281-F296 AromaticContact CD1-CE1 3.39Å; F281-F296 HydrophobicContact CD1-CE1 3.39Å; F281-F296 HydrophobicContact CD1-CE2 4.05Å; F281-F296 HydrophobicContact CD1-CG 4.2Å; F281-F296 AromaticContact CD1-CZ 3.57Å; F281-F296 HydrophobicContact CD1-CZ 3.57Å; F281-F296 HydrophobicContact CD2-CE1 4.24Å; F281-F296 HydrophobicContact CD2-CZ 4.05Å; F281-F296 AromaticContact CE1-CD1 3.8Å; F281-F296 HydrophobicContact CE1-CD1 3.8Å; F281-F296 AromaticContact CE1-CE1 3.51Å; F281-F296 HydrophobicContact CE1-CE1 3.51Å; F281-F296 HydrophobicContact CE1-CZ 4.14Å; F281-F296 HydrophobicContact CE2-CE1 4.32Å; F281-F296 AromaticContact CG-CE1 3.81Å; F281-F296 HydrophobicContact CG-CE1 3.81Å; F281-F296 HydrophobicContact CG-CE2 4.07Å; F281-F296 AromaticContact CG-CZ 3.53Å; F281-F296 HydrophobicContact CG-CZ 3.53Å; F281-F296 AromaticContact CZ-CE1 3.99Å; F281-F296 HydrophobicContact CZ-CE1 3.99Å
282Q98.7Very high98.4Very high5 Ų512.5 Ų12.52%0.0236%0.064CC..SBendtrans-60.4-38.1-178.779.6-61.2-23.700113.1L92 L279 L286 S287 L290 L294L92-Q282 HydrophobicContact CD1-CB 4.47Å; L279-Q282 PolarHBondContact O-NE2 3.03Å; Q282-L286 HydrophobicContact CB-CB 3.83Å; Q282-L286 HydrophobicContact CB-CD1 4.15Å; Q282-L286 HydrophobicContact CG-CB 4.08Å; Q282-S287 PolarHBondContact NE2-OG 2.81Å; Q282-L290 HydrophobicContact CB-CD1 3.8Å; Q282-L290 HydrophobicContact CG-CD1 3.64Å; Q282-L294 HydrophobicContact CB-CB 4.4Å; Q282-L294 HydrophobicContact CB-CD1 4.24Å; Q282-L294 HydrophobicContact CB-CG 4.35Å; Q282-L294 PolarHBondContact OE1-O 3.21Å
283G98.4Very high98.4Very high6 Ų611.5 Ų11.56%0.0626%0.061CC..Hα-helixtrans76.4172.9-178.700000114.9F281 L285 L286 S287 Y446F281-G283 VanDerWaalsContact C-N 3.33Å; F281-G283 PolarHBondContact O-N 2.72Å; G283-L285 PolarHBondContact O-N 3.32Å; G283-L286 PolarHBondContact O-N 3Å; G283-S287 PolarHBondContact O-N 3.26Å; G283-S287 PolarHBondContact O-OG 2.78Å; G283-Y446 VanDerWaalsContact CA-CE2 3.48Å
284A98.4Very high98.4Very high5 Ų511.4 Ų11.44%0.0416%0.061CC..Hα-helixtrans-51.3-46.4-169.600000115.3S287 H288 K440 S443 Y446A284-S287 WeakPolarHBondContact O-CB 3.47Å; A284-S287 PolarHBondContact O-N 2.95Å; A284-H288 PolarHBondContact O-N 2.78Å; A284-K440 HydrophobicContact CB-CB 4.05Å; A284-K440 HydrophobicContact CB-CG 4.03Å; A284-S443 VanDerWaalsContact O-CB 3.25Å; A284-S443 WeakPolarHBondContact O-CB 3.36Å; A284-S443 PolarHBondContact O-OG 2.8Å; A284-Y446 HydrophobicContact CB-CD1 3.5Å; A284-Y446 VanDerWaalsContact CB-CD1 3.5Å; A284-Y446 HydrophobicContact CB-CE1 3.78Å; A284-Y446 HydrophobicContact CB-CG 3.95Å
285L98.6Very high98.4Very high20 Ų2013.2 Ų13.211%0.1057%0.068CC..Hα-helixtrans-63.6-51.9-175.9-67-175.6000112G283 S287 H288 F409 F412 Y436 H439 K440G283-L285 PolarHBondContact O-N 3.32Å; L285-S287 PolarHBondContact O-N 2.94Å; L285-H288 WeakPolarHBondContact O-CB 3.41Å; L285-H288 PolarHBondContact O-CD2 3.07Å; L285-H288 PolarHBondContact O-N 3.17Å; L285-H288 VanDerWaalsContact O-N 3.07Å; L285-F409 HydrophobicContact CD1-CD2 3.93Å; L285-F412 HydrophobicContact CB-CD1 4.39Å; L285-F412 HydrophobicContact CB-CD2 3.79Å; L285-F412 HydrophobicContact CB-CE2 3.93Å; L285-F412 HydrophobicContact CB-CG 4.03Å; L285-F412 HydrophobicContact CB-CZ 4.3Å; L285-F412 HydrophobicContact CD1-CB 4.11Å; L285-F412 HydrophobicContact CD1-CD1 4.04Å; L285-F412 HydrophobicContact CD1-CG 3.97Å; L285-F412 HydrophobicContact CD2-CD1 4.05Å; L285-F412 HydrophobicContact CD2-CE1 3.9Å; L285-F412 HydrophobicContact CD2-CZ 4.24Å; L285-F412 HydrophobicContact CG-CD1 4.39Å; L285-F412 HydrophobicContact CG-CG 4.4Å; L285-F412 VanDerWaalsContact O-CE2 3.24Å; L285-F412 WeakPolarHBondContact O-CE2 3.23Å; L285-Y436 HydrophobicContact CD1-CD2 4.13Å; L285-Y436 HydrophobicContact CD1-CE2 3.72Å; L285-H439 HydrophobicContact CD2-CB 3.65Å; L285-K440 HydrophobicContact CD2-CG 3.71Å; L285-K440 HydrophobicContact CG-CG 3.96Å
286L98.7Very high98.4Very high2 Ų212.3 Ų12.31%0.017%0.065CC..Hα-helixtrans-65.3-24.3175.9-75.1177.9000112.8I89 L92 I93 L96 Q282 G283 H288 Y289 L290I89-L286 HydrophobicContact CB-CD1 4.48Å; I89-L286 HydrophobicContact CG1-CD1 4.45Å; I89-L286 HydrophobicContact CG2-CD1 4.02Å; L92-L286 HydrophobicContact CB-CD1 3.72Å; L92-L286 HydrophobicContact CD1-CD1 3.82Å; L92-L286 HydrophobicContact CG-CD1 4.39Å; I93-L286 HydrophobicContact CG1-CD1 4.39Å; I93-L286 HydrophobicContact CG1-CD2 3.69Å; I93-L286 HydrophobicContact CG1-CG 4.23Å; L96-L286 HydrophobicContact CD1-CD2 3.66Å; Q282-L286 HydrophobicContact CB-CB 3.83Å; Q282-L286 HydrophobicContact CB-CD1 4.15Å; Q282-L286 HydrophobicContact CG-CB 4.08Å; G283-L286 PolarHBondContact O-N 3Å; L286-H288 PolarHBondContact O-N 2.81Å; L286-Y289 PolarHBondContact O-N 2.92Å; L286-L290 HydrophobicContact CB-CD1 3.96Å; L286-L290 WeakPolarHBondContact O-CG 3.41Å; L286-L290 PolarHBondContact O-N 2.86Å
287S98.6Very high98.3Very high5 Ų513.7 Ų13.74%0.0357%0.073CC..Hα-helixtrans-68.2-9.7174.2-490000113.7K116 Q282 G283 A284 L285 S443 Y446K116-S287 PolarHBondContact NZ-O 2.86Å; Q282-S287 PolarHBondContact NE2-OG 2.81Å; G283-S287 PolarHBondContact O-N 3.26Å; G283-S287 PolarHBondContact O-OG 2.78Å; A284-S287 WeakPolarHBondContact O-CB 3.47Å; A284-S287 PolarHBondContact O-N 2.95Å; L285-S287 PolarHBondContact O-N 2.94Å; S287-S443 WeakPolarHBondContact CB-OG 3.37Å; S287-Y446 WeakPolarHBondContact OG-CD2 3.24Å
288H98.1Very high98.3Very high0 Ų013.2 Ų13.20%07%0.068CC..Hα-helixtrans-66-44.7164.5-68.4-72000111.6K116 A284 L285 L286 F412 P425 S427 L428 H439 S443K116-H288 WeakPolarHBondContact CD-O 3.35Å; K116-H288 WeakPolarHBondContact CE-O 3.47Å; K116-H288 PolarHBondContact NZ-O 3.39Å; A284-H288 PolarHBondContact O-N 2.78Å; L285-H288 WeakPolarHBondContact O-CB 3.41Å; L285-H288 PolarHBondContact O-CD2 3.07Å; L285-H288 PolarHBondContact O-N 3.17Å; L285-H288 VanDerWaalsContact O-N 3.07Å; L286-H288 PolarHBondContact O-N 2.81Å; H288-F412 AromaticContact CD2-CZ 3.61Å; H288-P425 WeakPolarHBondContact O-CB 3.49Å; H288-P425 WeakPolarHBondContact O-CG 3.4Å; H288-S427 PolarHBondContact ND1-OG 2.75Å; H288-L428 HydrophobicContact CB-CD1 3.71Å; H288-L428 HydrophobicContact CB-CD2 4.42Å; H288-L428 HydrophobicContact CB-CG 3.99Å; H288-H439 PolarHBondContact CE1-O 3.14Å; H288-H439 VanDerWaalsContact CE1-O 3.26Å; H288-H439 PolarHBondContact NE2-O 2.97Å; H288-S443 PolarHBondContact CE1-N 3.01Å; H288-S443 VanDerWaalsContact CE1-N 3.31Å
289Y98.5Very high98.3Very high0 Ų013.5 Ų13.50%07%0.069CC..Hα-helixtrans-86.8-23.6-176.8-77.1-88.6000113.9L96 V100 K116 W117 L286 F412 L415 V416 T419 P425 L428L96-Y289 HydrophobicContact CD1-CG 4.47Å; V100-Y289 HydrophobicContact CG1-CE1 4.29Å; K116-Y289 CarbonylContact C-O 3.47Å; K116-Y289 VanDerWaalsContact CA-O 3.24Å; K116-Y289 WeakPolarHBondContact CA-O 3.45Å; W117-Y289 PolarHBondContact N-O 3.12Å; L286-Y289 PolarHBondContact O-N 2.92Å; Y289-F412 HydrophobicContact CD2-CE2 4.06Å; Y289-F412 AromaticContact CE2-CE2 3.93Å; Y289-F412 HydrophobicContact CE2-CE2 3.93Å; Y289-F412 HydrophobicContact CE2-CZ 4.39Å; Y289-L415 HydrophobicContact CD2-CD2 3.9Å; Y289-L415 HydrophobicContact CD2-CG 4.4Å; Y289-L415 HydrophobicContact CE1-CD1 4.35Å; Y289-L415 HydrophobicContact CE1-CG 4.44Å; Y289-L415 HydrophobicContact CE2-CD2 3.93Å; Y289-L415 HydrophobicContact CE2-CG 3.95Å; Y289-L415 HydrophobicContact CG-CD2 4.35Å; Y289-V416 HydrophobicContact CE2-CG2 4.21Å; Y289-V416 WeakPolarHBondContact OH-CA 3.25Å; Y289-T419 HydrophobicContact CE1-CG2 4.09Å; Y289-T419 WeakPolarHBondContact CE1-OG1 3.46Å; Y289-T419 PolarHBondContact OH-OG1 3.28Å; Y289-P425 HydrophobicContact CD1-CG 4Å; Y289-P425 HydrophobicContact CE1-CG 4.02Å; Y289-P425 HydrophobicContact CG-CG 4.27Å; Y289-L428 HydrophobicContact CD2-CD1 4.4Å; Y289-L428 HydrophobicContact CE2-CD1 3.63Å
290L98.5Very high98.4Very high7 Ų713.5 Ų13.54%0.0377%0.069CC..BIsolated β-bridgetrans-92.9135.3-174.4-64.2162.5000111.6F108 K116 W117 Q282 L286 E292 L294F108-L290 HydrophobicContact CD1-CD2 4.11Å; F108-L290 HydrophobicContact CE1-CD2 3.48Å; F108-L290 VanDerWaalsContact CE1-CD2 3.48Å; F108-L290 HydrophobicContact CZ-CD2 4.19Å; K116-L290 WeakPolarHBondContact CE-O 3.25Å; K116-L290 PolarHBondContact NZ-O 3.24Å; W117-L290 WeakPolarHBondContact O-CA 3.19Å; Q282-L290 HydrophobicContact CB-CD1 3.8Å; Q282-L290 HydrophobicContact CG-CD1 3.64Å; L286-L290 HydrophobicContact CB-CD1 3.96Å; L286-L290 WeakPolarHBondContact O-CG 3.41Å; L286-L290 PolarHBondContact O-N 2.86Å; L290-E292 WeakPolarHBondContact CB-O 3.36Å; L290-L294 HydrophobicContact CD1-CD1 3.71Å; L290-L294 HydrophobicContact CD1-CG 3.95Å; L290-L294 HydrophobicContact CD2-CD1 4.38Å
291E97.6Very high98.4Very high17 Ų1713.5 Ų13.58%0.0797%0.069CC..SBendtrans-70.5-39.8173-171.6128.284.300111A111 D112 R113 K116 W117 R118A111-E291 HydrophobicContact CB-CB 3.96Å; A111-E291 HydrophobicContact CB-CG 4.46Å; A111-E291 VanDerWaalsContact CB-OE1 3.23Å; A111-E291 WeakPolarHBondContact CB-OE1 3.42Å; D112-E291 PolarHBondContact N-OE1 3.35Å; R113-E291 WeakPolarHBondContact CB-OE2 3.22Å; R113-E291 WeakPolarHBondContact CD-OE2 3.41Å; R113-E291 WeakPolarHBondContact CG-OE2 3.41Å; R113-E291 PolarHBondContact N-OE2 3.34Å; K116-E291 HydrophobicContact CB-CB 4.06Å; W117-E291 PolarHBondContact O-N 2.79Å; R118-E291 HydrophobicContact CG-CB 3.81Å; R118-E291 HydrophobicContact CG-CG 4.48Å; R118-E291 IonicContact CZ-OE1 3.81Å; R118-E291 VanDerWaalsContact CZ-OE1 3.27Å; R118-E291 IonicContact NE-OE1 2.75Å; R118-E291 PolarHBondContact NE-OE1 3.07Å; R118-E291 IonicContact NH2-OE1 3.65Å; R118-E291 PolarHBondContact NH2-OE1 3.27Å
292E97.7Very high98.3Very high92 Ų9213.5 Ų13.543%0.437%0.069SC..SBendtrans-123.8147.4-176.5-69.8164.1144.700110.3R118 L290 G328R118-E292 IonicContact CZ-OE1 2.77Å; R118-E292 IonicContact CZ-OE2 3.04Å; R118-E292 IonicContact NE-OE2 3.88Å; R118-E292 IonicContact NH1-OE1 2.78Å; R118-E292 PolarHBondContact NH1-OE1 3.5Å; R118-E292 IonicContact NH1-OE2 2.76Å; R118-E292 PolarHBondContact NH1-OE2 2.78Å; L290-E292 WeakPolarHBondContact CB-O 3.36Å; E292-G328 CarbonylContact C-O 3.57Å; E292-G328 WeakPolarHBondContact CA-O 3.46Å
293A98.5Very high98.3Very high9 Ų918.6 Ų18.67%0.0749%0.091CC..  trans-68.5146.2174.400000111Y295 G328 F329A293-Y295 HydrophobicContact CB-CE2 3.66Å; A293-Y295 WeakPolarHBondContact CB-OH 3.26Å; A293-Y295 VanDerWaalsContact O-CD2 3.29Å; A293-Y295 WeakPolarHBondContact O-CD2 3.43Å; A293-Y295 VanDerWaalsContact O-CE2 3.31Å; A293-Y295 WeakPolarHBondContact O-CE2 3.37Å; A293-G328 PolarHBondContact N-O 2.91Å; A293-F329 HydrophobicContact CB-CD1 3.71Å; A293-F329 HydrophobicContact CB-CE1 3.79Å; A293-F329 HydrophobicContact CB-CG 4.31Å; A293-F329 HydrophobicContact CB-CZ 4.42Å
294L98.8Very high98.2Very high10 Ų1019.4 Ų19.45%0.05210%0.096CC..  trans-99.3119.6-177.5-56.1-178.3000109.1L92 L119 F125 G280 F281 Q282 L290L92-L294 HydrophobicContact CD1-CD1 3.58Å; L119-L294 HydrophobicContact CD1-CD2 3.98Å; L119-L294 HydrophobicContact CD2-CD2 4Å; L119-L294 HydrophobicContact CG-CD2 3.81Å; F125-L294 HydrophobicContact CE2-CD1 4.45Å; G280-L294 CarbonylContact C-O 3.6Å; G280-L294 WeakPolarHBondContact CA-O 3.44Å; F281-L294 HydrophobicContact CD1-CB 4.24Å; F281-L294 WeakPolarHBondContact CD1-O 3.43Å; F281-L294 HydrophobicContact CE1-CB 3.72Å; F281-L294 WeakPolarHBondContact CE1-O 3.41Å; F281-L294 HydrophobicContact CZ-CB 3.9Å; F281-L294 HydrophobicContact CZ-CD1 4.49Å; F281-L294 PolarHBondContact N-O 2.93Å; Q282-L294 HydrophobicContact CB-CB 4.4Å; Q282-L294 HydrophobicContact CB-CD1 4.24Å; Q282-L294 HydrophobicContact CB-CG 4.35Å; Q282-L294 PolarHBondContact OE1-O 3.21Å; L290-L294 HydrophobicContact CD1-CD1 3.71Å; L290-L294 HydrophobicContact CD1-CG 3.95Å; L290-L294 HydrophobicContact CD2-CD1 4.38Å
295Y98.7Very high98.1Very high38 Ų3821.1 Ų21.115%0.14911%0.106CC..  trans-107.4159.8-178.1-60.1-84.7000110.8W276 G277 V278 A293 S330 C332W276-Y295 WeakPolarHBondContact O-CD1 3.33Å; G277-Y295 VanDerWaalsContact O-CE1 3.32Å; G277-Y295 WeakPolarHBondContact O-CE1 3.06Å; V278-Y295 PolarHBondContact O-OH 3.13Å; A293-Y295 HydrophobicContact CB-CE2 3.66Å; A293-Y295 WeakPolarHBondContact CB-OH 3.26Å; A293-Y295 VanDerWaalsContact O-CD2 3.29Å; A293-Y295 WeakPolarHBondContact O-CD2 3.43Å; A293-Y295 VanDerWaalsContact O-CE2 3.31Å; A293-Y295 WeakPolarHBondContact O-CE2 3.37Å; Y295-S330 PolarHBondContact OH-N 2.76Å; Y295-S330 PolarHBondContact OH-O 2.85Å; Y295-C332 HydrophobicContact CD1-CB 3.4Å; Y295-C332 HydrophobicContact CD2-CB 4.46Å; Y295-C332 HydrophobicContact CE1-CB 4.06Å; Y295-C332 HydrophobicContact CG-CB 3.63Å
296F98.6Very high98Very high15 Ų1522 Ų227%0.06611%0.109CC..EExtended strand (participates in β ladder)trans-84.3118.1159.9-58.5-51.4000107.1V36 F125 L127 W276 F281 C332V36-F296 HydrophobicContact CB-CE1 4.37Å; V36-F296 HydrophobicContact CG1-CE1 3.71Å; V36-F296 HydrophobicContact CG2-CE1 3.75Å; V36-F296 HydrophobicContact CG2-CZ 3.75Å; F125-F296 HydrophobicContact CB-CD1 3.94Å; F125-F296 HydrophobicContact CB-CE1 4.29Å; F125-F296 CarbonylContact O-C 3.6Å; F125-F296 VanDerWaalsContact O-CA 3.28Å; F125-F296 WeakPolarHBondContact O-CA 3.42Å; L127-F296 HydrophobicContact CB-CB 4.26Å; L127-F296 HydrophobicContact CB-CD1 4.1Å; L127-F296 HydrophobicContact CB-CD2 3.79Å; L127-F296 HydrophobicContact CB-CE1 4.44Å; L127-F296 HydrophobicContact CB-CE2 4.12Å; L127-F296 HydrophobicContact CB-CG 3.78Å; L127-F296 HydrophobicContact CB-CZ 4.44Å; L127-F296 HydrophobicContact CD1-CE2 4.14Å; L127-F296 HydrophobicContact CD1-CZ 4.18Å; L127-F296 HydrophobicContact CD2-CD2 4.25Å; L127-F296 HydrophobicContact CD2-CE2 4.26Å; L127-F296 HydrophobicContact CG-CD2 4.46Å; L127-F296 HydrophobicContact CG-CE2 4.42Å; W276-F296 AromaticContact CE3-CE2 3.97Å; W276-F296 HydrophobicContact CE3-CE2 3.97Å; W276-F296 HydrophobicContact CZ3-CE2 4.47Å; F281-F296 HydrophobicContact CB-CE2 3.88Å; F281-F296 HydrophobicContact CB-CZ 3.8Å; F281-F296 AromaticContact CD1-CD1 3.75Å; F281-F296 HydrophobicContact CD1-CD1 3.75Å; F281-F296 HydrophobicContact CD1-CD2 4.33Å; F281-F296 AromaticContact CD1-CE1 3.39Å; F281-F296 HydrophobicContact CD1-CE1 3.39Å; F281-F296 HydrophobicContact CD1-CE2 4.05Å; F281-F296 HydrophobicContact CD1-CG 4.2Å; F281-F296 AromaticContact CD1-CZ 3.57Å; F281-F296 HydrophobicContact CD1-CZ 3.57Å; F281-F296 HydrophobicContact CD2-CE1 4.24Å; F281-F296 HydrophobicContact CD2-CZ 4.05Å; F281-F296 AromaticContact CE1-CD1 3.8Å; F281-F296 HydrophobicContact CE1-CD1 3.8Å; F281-F296 AromaticContact CE1-CE1 3.51Å; F281-F296 HydrophobicContact CE1-CE1 3.51Å; F281-F296 HydrophobicContact CE1-CZ 4.14Å; F281-F296 HydrophobicContact CE2-CE1 4.32Å; F281-F296 AromaticContact CG-CE1 3.81Å; F281-F296 HydrophobicContact CG-CE1 3.81Å; F281-F296 HydrophobicContact CG-CE2 4.07Å; F281-F296 AromaticContact CG-CZ 3.53Å; F281-F296 HydrophobicContact CG-CZ 3.53Å; F281-F296 AromaticContact CZ-CE1 3.99Å; F281-F296 HydrophobicContact CZ-CE1 3.99Å; F296-C332 PolarHBondContact O-SG 3.07Å
297D95.9Very high97.9Very high43 Ų4323.1 Ų23.123%0.2312%0.117CC..EExtended strand (participates in β ladder)trans-73.9-22.9178.771.85.9000111.8R41 S124 F125 P334 L335R41-D297 IonicContact CZ-OD2 3.79Å; R41-D297 IonicContact NH1-OD2 2.99Å; R41-D297 IonicContact NH2-OD2 3.65Å; R41-D297 PolarHBondContact NH2-OD2 3.07Å; S124-D297 VanDerWaalsContact CB-OD2 3.3Å; S124-D297 WeakPolarHBondContact CB-OD2 3.3Å; S124-D297 PolarHBondContact OG-OD2 3.17Å; F125-D297 PolarHBondContact O-N 2.89Å; D297-P334 WeakPolarHBondContact O-CA 3.19Å; D297-L335 PolarHBondContact O-N 3.06Å
298T98.3Very high97.8Very high4 Ų427.5 Ų27.53%0.02514%0.136CC..EExtended strand (participates in β ladder)trans-142140.1-174.4-48.70000109I2 L126 L127 V300 L335 L337I2-T298 HydrophobicContact CD1-CG2 4.49Å; L126-T298 HydrophobicContact CD1-CG2 3.65Å; L126-T298 HydrophobicContact CG-CG2 4.12Å; L127-T298 PolarHBondContact N-O 3.41Å; T298-V300 HydrophobicContact CG2-CG2 4.06Å; T298-L335 CarbonylContact C-O 3.46Å; T298-L335 WeakPolarHBondContact CA-O 3.43Å; T298-L335 HydrophobicContact CG2-CB 4.17Å; T298-L335 HydrophobicContact CG2-CD2 4.31Å; T298-L335 HydrophobicContact CG2-CG 4.29Å; T298-L335 WeakPolarHBondContact CG2-O 3.37Å; T298-L337 HydrophobicContact CG2-CD1 3.87Å; T298-L337 HydrophobicContact CG2-CG 4.3Å
299V98.8Very high97.7Very high5 Ų535.1 Ų35.13%0.0317%0.172CC..EExtended strand (participates in β ladder)trans-122.9114.9169.1179.90000108.9L127 M311 L315 P334 L335 L336 L337L127-V299 HydrophobicContact CB-CG2 4.49Å; L127-V299 CarbonylContact O-C 3.55Å; L127-V299 WeakPolarHBondContact O-CA 2.92Å; V299-M311 HydrophobicContact CG1-CE 4.49Å; V299-L315 HydrophobicContact CG1-CD1 4.42Å; V299-P334 HydrophobicContact CG2-CB 4.03Å; V299-P334 HydrophobicContact CG2-CG 4.29Å; V299-L335 PolarHBondContact N-O 2.83Å; V299-L336 HydrophobicContact CB-CD2 4.13Å; V299-L337 PolarHBondContact O-N 2.59Å
300V98.8Very high97.7Very high0 Ų035.3 Ų35.30%017%0.173CC..EExtended strand (participates in β ladder)trans-101.5129.1177.2-177.20000109.3A4 V7 L126 L127 F128 T129 T298 L337A4-V300 HydrophobicContact CB-CG1 3.9Å; V7-V300 HydrophobicContact CB-CG2 4.36Å; V7-V300 HydrophobicContact CG1-CB 4.07Å; V7-V300 HydrophobicContact CG1-CG1 4.25Å; V7-V300 HydrophobicContact CG1-CG2 3.95Å; L126-V300 HydrophobicContact CD1-CG2 3.9Å; L126-V300 HydrophobicContact CD2-CG2 4.08Å; L126-V300 HydrophobicContact CG-CG2 4.27Å; L127-V300 PolarHBondContact O-N 3.18Å; F128-V300 CarbonylContact C-O 3.55Å; F128-V300 WeakPolarHBondContact CA-O 3.28Å; F128-V300 HydrophobicContact CD2-CB 4.07Å; F128-V300 HydrophobicContact CD2-CG1 3.89Å; F128-V300 HydrophobicContact CE2-CG1 4.32Å; T129-V300 PolarHBondContact N-O 3.44Å; T298-V300 HydrophobicContact CG2-CG2 4.06Å; V300-L337 HydrophobicContact CG2-CB 4.23Å; V300-L337 HydrophobicContact CG2-CD1 4.24Å
301V98.8Very high97.6Very high0 Ų035 Ų350%017%0.171CC..EExtended strand (participates in β ladder)trans-109.3133.9173.8-172.10000110.4T129 T132 Y306 M311 L337 Q338 S339T129-V301 HydrophobicContact CG2-CB 4.47Å; T129-V301 HydrophobicContact CG2-CG1 4.38Å; T129-V301 HydrophobicContact CG2-CG2 3.95Å; T129-V301 CarbonylContact O-C 3.07Å; T129-V301 VanDerWaalsContact O-CA 3.26Å; T129-V301 WeakPolarHBondContact O-CA 3.37Å; T132-V301 HydrophobicContact CG2-CG1 4.02Å; V301-Y306 HydrophobicContact CB-CD2 3.93Å; V301-Y306 HydrophobicContact CB-CE2 3.66Å; V301-Y306 HydrophobicContact CG1-CD2 4.05Å; V301-Y306 HydrophobicContact CG1-CE2 4.26Å; V301-Y306 HydrophobicContact CG2-CD2 4.29Å; V301-Y306 HydrophobicContact CG2-CE2 3.7Å; V301-M311 HydrophobicContact CG2-CE 3.55Å; V301-M311 HydrophobicContact CG2-SD 4.33Å; V301-L337 PolarHBondContact N-O 2.87Å; V301-Q338 CarbonylContact O-C 3.49Å; V301-Q338 WeakPolarHBondContact O-CA 3.38Å; V301-Q338 WeakPolarHBondContact O-CG 3.14Å; V301-S339 PolarHBondContact O-N 2.96Å
302G98.4Very high97.6Very high0 Ų038.4 Ų38.40%019%0.187CC..  trans-65.4173.1173.700000113.6T129 C304T129-G302 PolarHBondContact O-N 2.88Å; G302-C304 PolarHBondContact O-N 3.1Å; G302-C304 VanDerWaalsContact O-N 3.11Å; G302-C304 PolarHBondContact O-SG 2.8Å
303K97.8Very high97.6Very high112 Ų11236.8 Ų36.849%0.48718%0.177SC..SBendtrans-63.5114.6176175.9170.6168-177.20110.9S339 S340 L341 E342K303-S339 WeakPolarHBondContact CA-O 3.48Å; K303-S339 PolarHBondContact N-O 3.14Å; K303-S340 WeakPolarHBondContact CB-O 3.1Å; K303-S340 WeakPolarHBondContact CD-O 3.46Å; K303-L341 PolarHBondContact N-O 2.85Å; K303-E342 HydrophobicContact CB-CB 4.04Å; K303-E342 HydrophobicContact CD-CB 4.34Å; K303-E342 HydrophobicContact CG-CB 4.34Å
304C96.4Very high97.6Very high23 Ų2336.3 Ų36.316%0.15517%0.174CC..SBendtrans-167.2174.7-179.563.40000108H131 T132 G302 Y306 Q338H131-C304 HydrophobicContact CB-CB 4.41Å; H131-C304 VanDerWaalsContact CD2-CB 3.46Å; H131-C304 WeakPolarHBondContact CD2-CB 3.45Å; T132-C304 PolarHBondContact N-SG 3.35Å; T132-C304 VanDerWaalsContact N-SG 3.39Å; G302-C304 PolarHBondContact O-N 3.1Å; G302-C304 VanDerWaalsContact O-N 3.11Å; G302-C304 PolarHBondContact O-SG 2.8Å; C304-Y306 PolarHBondContact O-N 2.75Å; C304-Q338 PolarHBondContact O-NE2 3.22Å; C304-Q338 VanDerWaalsContact O-NE2 3.12Å
305P95.9Very high97.5Very high41 Ų4136.2 Ų36.227%0.26617%0.173SC..SBendtrans-55.5126.9166.7-25.836.1000111.4T132 I140T132-P305 VanDerWaalsContact CG2-O 3.23Å; T132-P305 WeakPolarHBondContact CG2-O 3.49Å; T132-P305 PolarHBondContact OG1-O 3.03Å; I140-P305 HydrophobicContact CD1-CB 4.46Å; I140-P305 WeakPolarHBondContact CD1-O 3.42Å
306Y95.9Very high97.4Very high40 Ų4034.7 Ų34.716%0.15717%0.168CC..  trans-146.5147.2-169.6-172-89.9000111T132 V301 C304 Q308 M311 L337 Q338T132-Y306 HydrophobicContact CG2-CD2 3.81Å; V301-Y306 HydrophobicContact CB-CD2 3.93Å; V301-Y306 HydrophobicContact CB-CE2 3.66Å; V301-Y306 HydrophobicContact CG1-CD2 4.05Å; V301-Y306 HydrophobicContact CG1-CE2 4.26Å; V301-Y306 HydrophobicContact CG2-CD2 4.29Å; V301-Y306 HydrophobicContact CG2-CE2 3.7Å; C304-Y306 PolarHBondContact O-N 2.75Å; Y306-Q308 HydrophobicContact CE1-CB 4.42Å; Y306-Q308 PolarHBondContact OH-OE1 2.94Å; Y306-M311 HydrophobicContact CD2-CG 4.15Å; Y306-M311 HydrophobicContact CE2-CE 4.44Å; Y306-M311 HydrophobicContact CE2-CG 3.64Å; Y306-M311 HydrophobicContact CE2-SD 4.32Å; Y306-L337 PolarHBondContact OH-O 2.88Å; Y306-Q338 VanDerWaalsContact CB-CD 3.47Å; Y306-Q338 VanDerWaalsContact CB-NE2 3.29Å; Y306-Q338 HydrophobicContact CD1-CB 4.26Å; Y306-Q338 HydrophobicContact CD1-CG 4.44Å; Y306-Q338 HydrophobicContact CD2-CB 4.31Å; Y306-Q338 HydrophobicContact CD2-CG 4.05Å; Y306-Q338 HydrophobicContact CE1-CB 4.09Å; Y306-Q338 HydrophobicContact CE2-CB 4.11Å; Y306-Q338 HydrophobicContact CE2-CG 4.3Å; Y306-Q338 HydrophobicContact CG-CB 4.37Å; Y306-Q338 VanDerWaalsContact CG-CD 3.48Å; Y306-Q338 HydrophobicContact CG-CG 4.11Å
307S96.9Very high97.3Very high25 Ų2537.5 Ų37.518%0.17519%0.186CC..  trans-145.5130164.9157.80000108.6E309 V310 M311S307-E309 VanDerWaalsContact C-N 3.28Å; S307-E309 PolarHBondContact O-N 3.37Å; S307-E309 PolarHBondContact OG-N 3.23Å; S307-V310 PolarHBondContact O-N 3.46Å; S307-V310 PolarHBondContact OG-N 2.96Å; S307-M311 WeakPolarHBondContact O-CG 3.5Å; S307-M311 PolarHBondContact O-N 2.86Å
308Q96.8Very high97.2Very high97 Ų9737.2 Ų37.245%0.45318%0.182SC..Hα-helixtrans-60.7-40.3178.9-172.370.2-15.700111Y306 M311 H312 L336Y306-Q308 HydrophobicContact CE1-CB 4.42Å; Y306-Q308 PolarHBondContact OH-OE1 2.94Å; Q308-M311 PolarHBondContact O-N 3.01Å; Q308-H312 VanDerWaalsContact O-CB 3.24Å; Q308-H312 WeakPolarHBondContact O-CB 3.23Å; Q308-H312 PolarHBondContact O-N 3.29Å; Q308-L336 PolarHBondContact NE2-O 2.75Å
309E96.5Very high97Very high159 Ų15937.1 Ų37.174%0.74318%0.181SC*.Hα-helixtrans-65.2-41177.7-58.1-178.5162.700112.1S307 H312 R313S307-E309 VanDerWaalsContact C-N 3.28Å; S307-E309 PolarHBondContact O-N 3.37Å; S307-E309 PolarHBondContact OG-N 3.23Å; E309-H312 PolarHBondContact O-N 3.39Å; E309-R313 VanDerWaalsContact O-CB 3.24Å; E309-R313 WeakPolarHBondContact O-CB 3.45Å; E309-R313 PolarHBondContact O-N 3.13Å
310V97.3Very high96.8Very high4 Ų439.7 Ų39.72%0.02420%0.2CC..Hα-helixtrans-66.8-43.9177.3167.60000111.2A137 I139 I140 S307 R313 A314A137-V310 WeakPolarHBondContact O-CG1 3.43Å; I139-V310 WeakPolarHBondContact O-CG1 3.38Å; I139-V310 VanDerWaalsContact O-CG2 3.28Å; I139-V310 WeakPolarHBondContact O-CG2 3.32Å; I140-V310 HydrophobicContact CG1-CB 4.21Å; I140-V310 HydrophobicContact CG1-CG1 3.74Å; I140-V310 HydrophobicContact CG1-CG2 4.25Å; S307-V310 PolarHBondContact O-N 3.46Å; S307-V310 PolarHBondContact OG-N 2.96Å; V310-R313 PolarHBondContact O-N 3.5Å; V310-A314 VanDerWaalsContact O-CB 3.22Å; V310-A314 WeakPolarHBondContact O-CB 3.31Å; V310-A314 PolarHBondContact O-N 3.48Å
311M98.1Very high96.7Very high1 Ų150.5 Ų50.51%0.00524%0.241CC..Hα-helixtrans-64.3-43.2175.7-72.5-69.2-62.100111.2T132 A137 V299 V301 Y306 S307 Q308 A314 L315 L336T132-M311 HydrophobicContact CG2-SD 3.99Å; A137-M311 HydrophobicContact CB-SD 3.9Å; V299-M311 HydrophobicContact CG1-CE 4.49Å; V301-M311 HydrophobicContact CG2-CE 3.55Å; V301-M311 HydrophobicContact CG2-SD 4.33Å; Y306-M311 HydrophobicContact CD2-CG 4.15Å; Y306-M311 HydrophobicContact CE2-CE 4.44Å; Y306-M311 HydrophobicContact CE2-CG 3.64Å; Y306-M311 HydrophobicContact CE2-SD 4.32Å; S307-M311 WeakPolarHBondContact O-CG 3.5Å; S307-M311 PolarHBondContact O-N 2.86Å; Q308-M311 PolarHBondContact O-N 3.01Å; M311-A314 PolarHBondContact O-N 3.28Å; M311-L315 HydrophobicContact CE-CD1 3.66Å; M311-L315 HydrophobicContact CE-CG 4.47Å; M311-L315 WeakPolarHBondContact O-CB 3.2Å; M311-L315 PolarHBondContact O-N 2.81Å; M311-L336 HydrophobicContact CB-CD1 3.91Å; M311-L336 HydrophobicContact CE-CD2 4.41Å
312H97.8Very high96.6Very high88 Ų8851 Ų5141%0.40724%0.244SC..Hα-helixtrans-64.6-45.9176.4-168.6-78000111.6Q308 E309 A314 V316 T317 L336Q308-H312 VanDerWaalsContact O-CB 3.24Å; Q308-H312 WeakPolarHBondContact O-CB 3.23Å; Q308-H312 PolarHBondContact O-N 3.29Å; E309-H312 PolarHBondContact O-N 3.39Å; H312-A314 PolarHBondContact O-N 2.58Å; H312-V316 CarbonylContact O-C 3.58Å; H312-V316 WeakPolarHBondContact O-CA 2.92Å; H312-V316 VanDerWaalsContact O-CB 3.26Å; H312-V316 WeakPolarHBondContact O-CB 3.45Å; H312-V316 PolarHBondContact O-N 3.06Å; H312-T317 PolarHBondContact ND1-OG1 2.98Å; H312-T317 PolarHBondContact O-N 3.29Å; H312-T317 PolarHBondContact O-OG1 3.49Å; H312-L336 HydrophobicContact CB-CD1 4.09Å
313R97.2Very high96.6Very high58 Ų5854 Ų5422%0.21926%0.264CS..Iπ-helixtrans-52.2-57.6171.7178.8-17473-138.80.3110.5D136 I139 E309 V310 R318D136-R313 PolarHBondContact O-NH2 3.2Å; D136-R313 IonicContact OD2-CZ 3.44Å; D136-R313 IonicContact OD2-NE 2.86Å; D136-R313 PolarHBondContact OD2-NE 3.22Å; D136-R313 IonicContact OD2-NH2 3.19Å; I139-R313 PolarHBondContact O-NH2 3.27Å; I139-R313 VanDerWaalsContact O-NH2 3.1Å; E309-R313 VanDerWaalsContact O-CB 3.24Å; E309-R313 WeakPolarHBondContact O-CB 3.45Å; E309-R313 PolarHBondContact O-N 3.13Å; V310-R313 PolarHBondContact O-N 3.5Å; R313-R318 WeakPolarHBondContact O-CG 3.35Å; R313-R318 PolarHBondContact O-N 3.12Å
314A97.6Very high96.6Very high0 Ų055.7 Ų55.70%027%0.274CS..Iπ-helixtrans-71.6-34.2-168.300000114D136 A137 V310 M311 H312 R318D136-A314 HydrophobicContact CB-CB 4Å; A137-A314 HydrophobicContact CB-CB 3.56Å; V310-A314 VanDerWaalsContact O-CB 3.22Å; V310-A314 WeakPolarHBondContact O-CB 3.31Å; V310-A314 PolarHBondContact O-N 3.48Å; M311-A314 PolarHBondContact O-N 3.28Å; H312-A314 PolarHBondContact O-N 2.58Å; A314-R318 VanDerWaalsContact O-CZ 3.3Å; A314-R318 PolarHBondContact O-NE 3.18Å; A314-R318 PolarHBondContact O-NH2 3.27Å
315L97.5Very high96.7Very high7 Ų756.3 Ų56.34%0.03728%0.275CS..Iπ-helixtrans-103.6-30.2-175.3-57.1-168.2000114.4L273 V299 M311 L336L273-L315 HydrophobicContact CB-CD2 3.59Å; L273-L315 HydrophobicContact CD1-CD2 4.21Å; V299-L315 HydrophobicContact CG1-CD1 4.42Å; M311-L315 HydrophobicContact CE-CD1 3.66Å; M311-L315 HydrophobicContact CE-CG 4.47Å; M311-L315 WeakPolarHBondContact O-CB 3.2Å; M311-L315 PolarHBondContact O-N 2.81Å; L315-L336 HydrophobicContact CD1-CD2 4.13Å
316V95.6Very high96.8Very high7 Ų755.6 Ų55.64%0.04227%0.271CS..Iπ-helixtrans-111.8-61.6-169.4-167.30000111.3H312 R318 C319 S320 L333 L336H312-V316 CarbonylContact O-C 3.58Å; H312-V316 WeakPolarHBondContact O-CA 2.92Å; H312-V316 VanDerWaalsContact O-CB 3.26Å; H312-V316 WeakPolarHBondContact O-CB 3.45Å; H312-V316 PolarHBondContact O-N 3.06Å; V316-R318 VanDerWaalsContact C-N 3.27Å; V316-R318 PolarHBondContact O-N 3.24Å; V316-R318 VanDerWaalsContact O-N 3.15Å; V316-C319 PolarHBondContact O-N 3.12Å; V316-S320 PolarHBondContact O-N 2.9Å; V316-L333 HydrophobicContact CG1-CB 4.17Å; V316-L333 HydrophobicContact CG1-CD2 3.56Å; V316-L333 HydrophobicContact CG1-CG 4.38Å; V316-L336 HydrophobicContact CG2-CD1 4.13Å
317T96.4Very high96.8Very high74 Ų7457.7 Ų57.745%0.45430%0.297SS..Iπ-helixtrans-58.3-35.2-171.4-50.90000113.2H312 C319 S320H312-T317 PolarHBondContact ND1-OG1 2.98Å; H312-T317 PolarHBondContact O-N 3.29Å; H312-T317 PolarHBondContact O-OG1 3.49Å; T317-C319 PolarHBondContact O-N 3.32Å; T317-S320 PolarHBondContact O-OG 2.74Å; T317-S320 VanDerWaalsContact O-OG 3.12Å
318R93.6Very high96.8Very high36 Ų3657.8 Ų57.814%0.13630%0.301CS..THydrogen-bonded Turntrans-66-23.5179.5-68.3-170.3-591681.1114.4G252 V253 D271 R313 A314 V316 A457 F458G252-R318 WeakPolarHBondContact O-CD 3.5Å; G252-R318 PolarHBondContact O-NH1 3.15Å; V253-R318 PolarHBondContact O-NH1 3.48Å; D271-R318 IonicContact OD1-CZ 3.99Å; D271-R318 VanDerWaalsContact OD1-CZ 3.25Å; D271-R318 IonicContact OD1-NH1 2.83Å; D271-R318 PolarHBondContact OD1-NH1 3.15Å; D271-R318 IonicContact OD1-NH2 2.96Å; D271-R318 PolarHBondContact OD1-NH2 2.92Å; R313-R318 WeakPolarHBondContact O-CG 3.35Å; R313-R318 PolarHBondContact O-N 3.12Å; A314-R318 VanDerWaalsContact O-CZ 3.3Å; A314-R318 PolarHBondContact O-NE 3.18Å; A314-R318 PolarHBondContact O-NH2 3.27Å; V316-R318 VanDerWaalsContact C-N 3.27Å; V316-R318 PolarHBondContact O-N 3.24Å; V316-R318 VanDerWaalsContact O-N 3.15Å; R318-A457 WeakPolarHBondContact O-CB 3.3Å; R318-F458 HydrophobicContact CB-CE1 4.4Å
319C95.6Very high96.9Very high2 Ų254.2 Ų54.21%0.01428%0.284CS..THydrogen-bonded Turntrans-113-9.5-177.3-68.10000113.4A274 V278 V316 T317 R321 V322 V331A274-C319 PolarHBondContact O-SG 3.27Å; V278-C319 HydrophobicContact CG2-CB 3.64Å; V316-C319 PolarHBondContact O-N 3.12Å; T317-C319 PolarHBondContact O-N 3.32Å; C319-R321 PolarHBondContact O-N 3.39Å; C319-V322 WeakPolarHBondContact O-CB 3.32Å; C319-V322 WeakPolarHBondContact O-CG2 3.37Å; C319-V322 PolarHBondContact O-N 2.98Å; C319-V331 HydrophobicContact CB-CG1 4.36Å
320S94.8Very high96.9Very high60 Ų6049.6 Ų49.642%0.4227%0.269SS..THydrogen-bonded Turntrans-61.1-20.5-172.364.50000115.3V316 T317V316-S320 PolarHBondContact O-N 2.9Å; T317-S320 PolarHBondContact O-OG 2.74Å; T317-S320 VanDerWaalsContact O-OG 3.12Å
321R95.5Very high97Very high227 Ų22751.1 Ų51.186%0.85728%0.279SS*.THydrogen-bonded Turntrans-962.7178.6-62.2-174.1179.2-175-0.6114.3C319 S323C319-R321 PolarHBondContact O-N 3.39Å; R321-S323 PolarHBondContact O-N 2.8Å
322V97.7Very high96.8Very high11 Ų1152.4 Ų52.47%0.06729%0.287CS..  trans-74.7116.4-177.31800000110.7V278 C319 L325 V331 L453 Q456 A457V278-V322 HydrophobicContact CG1-CG1 4.2Å; C319-V322 WeakPolarHBondContact O-CB 3.32Å; C319-V322 WeakPolarHBondContact O-CG2 3.37Å; C319-V322 PolarHBondContact O-N 2.98Å; V322-L325 HydrophobicContact CG1-CD1 4.45Å; V322-L325 HydrophobicContact CG1-CD2 4.02Å; V322-L325 HydrophobicContact CG1-CG 4.31Å; V322-V331 HydrophobicContact CB-CG2 4Å; V322-V331 VanDerWaalsContact O-CG2 3.3Å; V322-V331 WeakPolarHBondContact O-CG2 3.39Å; V322-L453 HydrophobicContact CG2-CD1 3.97Å; V322-Q456 VanDerWaalsContact CA-OE1 3.25Å; V322-Q456 HydrophobicContact CG2-CB 4.4Å; V322-A457 HydrophobicContact CG2-CB 3.85Å
323S97.5Very high96.7Very high62 Ų6253.5 Ų53.543%0.43430%0.296SS..  trans-114.5-175.9-177.666.90000112.1R321 L325 Q456R321-S323 PolarHBondContact O-N 2.8Å; S323-L325 PolarHBondContact O-N 3.36Å; S323-L325 VanDerWaalsContact O-N 3.13Å; S323-Q456 PolarHBondContact O-NE2 2.87Å; S323-Q456 PolarHBondContact OG-OE1 2.97Å
324E97.6Very high96.7Very high148 Ų14851.7 Ų51.769%0.69229%0.292SS*.  trans57.427.5175.9-60.2179.4-17500114.7Q452E324-Q452 HydrophobicContact CB-CG 4.39Å; E324-Q452 PolarHBondContact OE2-NE2 3.36Å
325L98.4Very high96.7Very high35 Ų3556.1 Ų56.118%0.18332%0.315CS..PPolyproline II helixtrans-70.7138.8176.6-64.8171.4000110.6V278 V322 S323 F329 V331 A449 Q452V278-L325 HydrophobicContact CG1-CD1 3.82Å; V278-L325 HydrophobicContact CG1-CD2 3.82Å; V278-L325 HydrophobicContact CG1-CG 4.49Å; V322-L325 HydrophobicContact CG1-CD1 4.45Å; V322-L325 HydrophobicContact CG1-CD2 4.02Å; V322-L325 HydrophobicContact CG1-CG 4.31Å; S323-L325 PolarHBondContact O-N 3.36Å; S323-L325 VanDerWaalsContact O-N 3.13Å; L325-F329 HydrophobicContact CB-CB 4.16Å; L325-V331 HydrophobicContact CD1-CG2 4.01Å; L325-A449 HydrophobicContact CD2-CB 4.12Å; L325-Q452 HydrophobicContact CD2-CB 4.26Å
326P97.9Very high96.8Very high27 Ų2756.3 Ų56.318%0.17532%0.316CS..PPolyproline II helixtrans-70.2156.5178.630.1-35.5000111.5G328 F329 S445 Q448 A449P326-G328 PolarHBondContact O-N 3.2Å; P326-F329 HydrophobicContact CG-CD2 4.01Å; P326-F329 WeakPolarHBondContact O-CB 3.46Å; P326-F329 PolarHBondContact O-N 3.25Å; P326-S445 VanDerWaalsContact CG-O 3.27Å; P326-S445 WeakPolarHBondContact CG-O 3.3Å; P326-Q448 HydrophobicContact CG-CB 3.99Å; P326-A449 HydrophobicContact CG-CB 3.99Å
327A96.8Very high96.9Very high84 Ų8457.9 Ų57.969%0.69432%0.324SS*.THydrogen-bonded Turntrans-48.6131.9179.800000112.7
328G96.9Very high97Very high26 Ų2658.2 Ų58.227%0.26832%0.32SS..THydrogen-bonded Turntrans92.6-4.5-172.300000115E292 A293 P326E292-G328 CarbonylContact C-O 3.57Å; E292-G328 WeakPolarHBondContact CA-O 3.46Å; A293-G328 PolarHBondContact N-O 2.91Å; P326-G328 PolarHBondContact O-N 3.2Å
329F98.6Very high97.2Very high22 Ų2256.7 Ų56.710%0.09632%0.315CS..  trans-122.6139.8176.4-66.2-98.6000111.7L279 A293 L325 P326 Y446 A449L279-F329 WeakPolarHBondContact O-CE1 3.47Å; A293-F329 HydrophobicContact CB-CD1 3.71Å; A293-F329 HydrophobicContact CB-CE1 3.79Å; A293-F329 HydrophobicContact CB-CG 4.31Å; A293-F329 HydrophobicContact CB-CZ 4.42Å; L325-F329 HydrophobicContact CB-CB 4.16Å; P326-F329 HydrophobicContact CG-CD2 4.01Å; P326-F329 WeakPolarHBondContact O-CB 3.46Å; P326-F329 PolarHBondContact O-N 3.25Å; F329-Y446 AromaticContact CE1-CD2 3.92Å; F329-Y446 HydrophobicContact CE1-CD2 3.92Å; F329-Y446 HydrophobicContact CZ-CD2 4.04Å; F329-Y446 HydrophobicContact CZ-CG 4.46Å; F329-A449 HydrophobicContact CB-CB 4.12Å; F329-A449 HydrophobicContact CD1-CB 3.65Å; F329-A449 HydrophobicContact CD2-CB 4.2Å; F329-A449 HydrophobicContact CE1-CB 4.07Å; F329-A449 HydrophobicContact CG-CB 3.73Å
330S97.6Very high97.3Very high62 Ų6260 Ų6043%0.43434%0.338SS..  trans-144.1175176.162.90000110.9V278 Y295V278-S330 WeakPolarHBondContact CA-O 3.44Å; Y295-S330 PolarHBondContact OH-N 2.76Å; Y295-S330 PolarHBondContact OH-O 2.85Å
331V97.6Very high97.5Very high37 Ų3759.9 Ų59.922%0.22433%0.333CS..  trans-90.5110.6165.9-175.70000108.2V278 C319 V322 L325 L333V278-V331 HydrophobicContact CG2-CG1 4.23Å; V278-V331 HydrophobicContact CG2-CG2 4.14Å; C319-V331 HydrophobicContact CB-CG1 4.36Å; V322-V331 HydrophobicContact CB-CG2 4Å; V322-V331 VanDerWaalsContact O-CG2 3.3Å; V322-V331 WeakPolarHBondContact O-CG2 3.39Å; L325-V331 HydrophobicContact CD1-CG2 4.01Å; V331-L333 HydrophobicContact CG1-CD2 3.93Å
332C95.8Very high97.6Very high27 Ų2750.9 Ų50.918%0.18230%0.3CS..  trans-78.4131.2170.5-176.30000110.3G277 Y295 F296 P334G277-C332 WeakPolarHBondContact O-CB 3.46Å; G277-C332 PolarHBondContact O-N 2.74Å; Y295-C332 HydrophobicContact CD1-CB 3.4Å; Y295-C332 HydrophobicContact CD2-CB 4.46Å; Y295-C332 HydrophobicContact CE1-CB 4.06Å; Y295-C332 HydrophobicContact CG-CB 3.63Å; F296-C332 PolarHBondContact O-SG 3.07Å; C332-P334 VanDerWaalsContact O-CD 3.31Å; C332-P334 WeakPolarHBondContact O-CD 3.43Å
333L95.4Very high97.6Very high112 Ų11250.4 Ų50.459%0.58630%0.297SS*.  trans-10690.7171.8-46178.9000107V316 V331V316-L333 HydrophobicContact CG1-CB 4.17Å; V316-L333 HydrophobicContact CG1-CD2 3.56Å; V316-L333 HydrophobicContact CG1-CG 4.38Å; V331-L333 HydrophobicContact CG1-CD2 3.93Å
334P96.8Very high97.6Very high20 Ų2050.2 Ų50.213%0.1329%0.294CS..  trans-67.4145-173.926.8-35.8000112D297 V299 C332 L336D297-P334 WeakPolarHBondContact O-CA 3.19Å; V299-P334 HydrophobicContact CG2-CB 4.03Å; V299-P334 HydrophobicContact CG2-CG 4.29Å; C332-P334 VanDerWaalsContact O-CD 3.31Å; C332-P334 WeakPolarHBondContact O-CD 3.43Å; P334-L336 HydrophobicContact CG-CD2 4.25Å; P334-L336 PolarHBondContact O-N 2.92Å
335L97.5Very high97.6Very high93 Ų9345 Ų4549%0.48727%0.269SS..EExtended strand (participates in β ladder)trans-63.8116166.9176.761.7000109.3D297 T298 V299 L337D297-L335 PolarHBondContact O-N 3.06Å; T298-L335 CarbonylContact C-O 3.46Å; T298-L335 WeakPolarHBondContact CA-O 3.43Å; T298-L335 HydrophobicContact CG2-CB 4.17Å; T298-L335 HydrophobicContact CG2-CD2 4.31Å; T298-L335 HydrophobicContact CG2-CG 4.29Å; T298-L335 WeakPolarHBondContact CG2-O 3.37Å; V299-L335 PolarHBondContact N-O 2.83Å; L335-L337 HydrophobicContact CD1-CD2 4.16Å; L335-L337 HydrophobicContact CD2-CD1 4.19Å; L335-L337 HydrophobicContact CD2-CD2 4.28Å; L335-L337 HydrophobicContact CD2-CG 4.32Å; L335-L337 HydrophobicContact CG-CD1 4.41Å; L335-L337 HydrophobicContact CG-CD2 4.04Å; L335-L337 HydrophobicContact CG-CG 4.03Å
336L98.4Very high97.5Very high10 Ų1043.8 Ų43.85%0.05226%0.264CS..EExtended strand (participates in β ladder)trans-93.4119.4179.7-60.2177.3000109.9V299 Q308 M311 H312 L315 V316 P334V299-L336 HydrophobicContact CB-CD2 4.13Å; Q308-L336 PolarHBondContact NE2-O 2.75Å; M311-L336 HydrophobicContact CB-CD1 3.91Å; M311-L336 HydrophobicContact CE-CD2 4.41Å; H312-L336 HydrophobicContact CB-CD1 4.09Å; L315-L336 HydrophobicContact CD1-CD2 4.13Å; V316-L336 HydrophobicContact CG2-CD1 4.13Å; P334-L336 HydrophobicContact CG-CD2 4.25Å; P334-L336 PolarHBondContact O-N 2.92Å
337L98.4Very high97.4Very high41 Ų4146.7 Ų46.722%0.21528%0.275CS..EExtended strand (participates in β ladder)trans-126.5155.8179-58.2176.6000111I2 A4 T298 V299 V300 V301 Y306 L335I2-L337 HydrophobicContact CG2-CD1 4.38Å; A4-L337 HydrophobicContact CB-CB 4.21Å; T298-L337 HydrophobicContact CG2-CD1 3.87Å; T298-L337 HydrophobicContact CG2-CG 4.3Å; V299-L337 PolarHBondContact O-N 2.59Å; V300-L337 HydrophobicContact CG2-CB 4.23Å; V300-L337 HydrophobicContact CG2-CD1 4.24Å; V301-L337 PolarHBondContact N-O 2.87Å; Y306-L337 PolarHBondContact OH-O 2.88Å; L335-L337 HydrophobicContact CD1-CD2 4.16Å; L335-L337 HydrophobicContact CD2-CD1 4.19Å; L335-L337 HydrophobicContact CD2-CD2 4.28Å; L335-L337 HydrophobicContact CD2-CG 4.32Å; L335-L337 HydrophobicContact CG-CD1 4.41Å; L335-L337 HydrophobicContact CG-CD2 4.04Å; L335-L337 HydrophobicContact CG-CG 4.03Å
338Q98.4Very high97.3Very high80 Ų8046.1 Ų46.137%0.37426%0.261SS..EExtended strand (participates in β ladder)trans-120.7142.7167.2-164.9-178.911.400110.5A4 V301 C304 Y306A4-Q338 WeakPolarHBondContact CB-O 3.17Å; V301-Q338 CarbonylContact O-C 3.49Å; V301-Q338 WeakPolarHBondContact O-CA 3.38Å; V301-Q338 WeakPolarHBondContact O-CG 3.14Å; C304-Q338 PolarHBondContact O-NE2 3.22Å; C304-Q338 VanDerWaalsContact O-NE2 3.12Å; Y306-Q338 VanDerWaalsContact CB-CD 3.47Å; Y306-Q338 VanDerWaalsContact CB-NE2 3.29Å; Y306-Q338 HydrophobicContact CD1-CB 4.26Å; Y306-Q338 HydrophobicContact CD1-CG 4.44Å; Y306-Q338 HydrophobicContact CD2-CB 4.31Å; Y306-Q338 HydrophobicContact CD2-CG 4.05Å; Y306-Q338 HydrophobicContact CE1-CB 4.09Å; Y306-Q338 HydrophobicContact CE2-CB 4.11Å; Y306-Q338 HydrophobicContact CE2-CG 4.3Å; Y306-Q338 HydrophobicContact CG-CB 4.37Å; Y306-Q338 VanDerWaalsContact CG-CD 3.48Å; Y306-Q338 HydrophobicContact CG-CG 4.11Å
339S98.6Very high97.3Very high4 Ų447.3 Ų47.33%0.02826%0.259CS..  trans-98.3144.6171.3170.20000111.2D5 A8 V301 K303 L341D5-S339 WeakPolarHBondContact OD1-CA 3.46Å; D5-S339 WeakPolarHBondContact OD1-CB 3.45Å; D5-S339 PolarHBondContact OD1-OG 2.94Å; A8-S339 VanDerWaalsContact CB-OG 3.25Å; A8-S339 WeakPolarHBondContact CB-OG 3.44Å; V301-S339 PolarHBondContact O-N 2.96Å; K303-S339 WeakPolarHBondContact CA-O 3.48Å; K303-S339 PolarHBondContact N-O 3.14Å; S339-L341 PolarHBondContact OG-N 3.01Å
340S98.2Very high97.2Very high73 Ų7346.2 Ų46.251%0.5126%0.255SS..SBendtrans-73.6-13.817179.50000113.4D5 K303D5-S340 VanDerWaalsContact CG-OG 3.3Å; D5-S340 PolarHBondContact OD1-N 3.1Å; D5-S340 PolarHBondContact OD1-OG 3.09Å; D5-S340 WeakPolarHBondContact OD2-CB 3.26Å; D5-S340 PolarHBondContact OD2-OG 3.36Å; K303-S340 WeakPolarHBondContact CB-O 3.1Å; K303-S340 WeakPolarHBondContact CD-O 3.46Å
341L98.5Very high97.1Very high57 Ų5747.4 Ų47.430%0.29825%0.253SS..PPolyproline II helixtrans-87.5127.5-175-52.7-174.9000111.9D5 A8 E9 Y12 K303 S339D5-L341 HydrophobicContact CB-CD1 4.09Å; D5-L341 HydrophobicContact CB-CG 4.07Å; D5-L341 WeakPolarHBondContact O-CD1 3.37Å; A8-L341 HydrophobicContact CB-CB 4.21Å; A8-L341 HydrophobicContact CB-CD1 4.27Å; E9-L341 HydrophobicContact CB-CD1 3.9Å; Y12-L341 HydrophobicContact CD2-CB 4.41Å; Y12-L341 HydrophobicContact CE2-CB 3.74Å; Y12-L341 PolarHBondContact OH-O 2.75Å; K303-L341 PolarHBondContact N-O 2.85Å; S339-L341 PolarHBondContact OG-N 3.01Å
342E97.6Very high97Very high38 Ų3851.6 Ų51.618%0.17827%0.274CS..PPolyproline II helixtrans-92.1144.3176.5-169.3174-174.400111.4Y12 K303 P344 S346 N348 Q349Y12-E342 WeakPolarHBondContact CE2-O 3.42Å; K303-E342 HydrophobicContact CB-CB 4.04Å; K303-E342 HydrophobicContact CD-CB 4.34Å; K303-E342 HydrophobicContact CG-CB 4.34Å; E342-P344 WeakPolarHBondContact O-CD 3.47Å; E342-S346 PolarHBondContact OE1-OG 3.4Å; E342-N348 VanDerWaalsContact CD-ND2 3.35Å; E342-N348 WeakPolarHBondContact OE1-CB 3.43Å; E342-N348 PolarHBondContact OE1-ND2 2.88Å; E342-N348 PolarHBondContact OE2-ND2 2.87Å; E342-Q349 HydrophobicContact CG-CG 3.98Å; E342-Q349 PolarHBondContact OE2-NE2 2.84Å
343F98.1Very high96.9Very high1 Ų154 Ų540%0.00428%0.282CS..PPolyproline II helixtrans-71.5127.5177176.5-128.1000110.6Y12 F15 S31 L33 F345 S346Y12-F343 AromaticContact CD1-CD2 3.72Å; Y12-F343 HydrophobicContact CD1-CD2 3.72Å; Y12-F343 HydrophobicContact CE1-CB 3.67Å; Y12-F343 AromaticContact CE1-CD2 3.66Å; Y12-F343 HydrophobicContact CE1-CD2 3.66Å; Y12-F343 HydrophobicContact CE1-CG 4.08Å; Y12-F343 PolarHBondContact OH-N 3.46Å; Y12-F343 VanDerWaalsContact OH-N 3.13Å; F15-F343 AromaticContact CD1-CE2 3.68Å; F15-F343 HydrophobicContact CD1-CE2 3.68Å; F15-F343 HydrophobicContact CD1-CZ 4.14Å; F15-F343 AromaticContact CE1-CE2 3.83Å; F15-F343 HydrophobicContact CE1-CE2 3.83Å; F15-F343 AromaticContact CE1-CZ 3.86Å; F15-F343 HydrophobicContact CE1-CZ 3.86Å; F15-F343 HydrophobicContact CE2-CZ 4.42Å; F15-F343 HydrophobicContact CG-CE2 4.11Å; F15-F343 HydrophobicContact CZ-CE2 4.38Å; F15-F343 HydrophobicContact CZ-CZ 4Å; S31-F343 WeakPolarHBondContact O-CD1 3.39Å; S31-F343 WeakPolarHBondContact O-CE1 3.45Å; L33-F343 HydrophobicContact CB-CD1 4.22Å; L33-F343 HydrophobicContact CB-CD2 3.99Å; L33-F343 HydrophobicContact CB-CE1 4.03Å; L33-F343 HydrophobicContact CB-CE2 3.81Å; L33-F343 HydrophobicContact CB-CG 4.21Å; L33-F343 HydrophobicContact CB-CZ 3.83Å; L33-F343 HydrophobicContact CD2-CD2 3.92Å; L33-F343 HydrophobicContact CD2-CE2 3.79Å; L33-F343 HydrophobicContact CG-CE2 4.26Å; F343-F345 HydrophobicContact CD1-CB 4.23Å; F343-F345 HydrophobicContact CE1-CB 3.68Å; F343-F345 HydrophobicContact CE2-CD2 4.48Å; F343-F345 HydrophobicContact CZ-CB 3.98Å; F343-F345 HydrophobicContact CZ-CD2 4.21Å; F343-F345 PolarHBondContact O-N 2.78Å; F343-S346 WeakPolarHBondContact O-CB 3.46Å; F343-S346 PolarHBondContact O-N 2.84Å
344P96.3Very high96.9Very high57 Ų5752 Ų5237%0.3727%0.269SS..THydrogen-bonded Turntrans-61.4-7.2-175.1-2936.9000117.1E342E342-P344 WeakPolarHBondContact O-CD 3.47Å
345F97.1Very high96.7Very high38 Ų3860 Ų6017%0.16730%0.297CS..THydrogen-bonded Turntrans-124.728.7173.2-60.1-94.4000111.9F15 P24 P26 W30 S31 F343F15-F345 AromaticContact CE1-CD2 3.72Å; F15-F345 HydrophobicContact CE1-CD2 3.72Å; F15-F345 AromaticContact CE1-CE2 3.75Å; F15-F345 HydrophobicContact CE1-CE2 3.75Å; F15-F345 HydrophobicContact CZ-CD2 4.32Å; F15-F345 HydrophobicContact CZ-CE2 4.46Å; P24-F345 HydrophobicContact CB-CB 4.37Å; P24-F345 HydrophobicContact CB-CD1 3.79Å; P24-F345 HydrophobicContact CB-CE1 4.46Å; P24-F345 HydrophobicContact CB-CG 4.35Å; P24-F345 HydrophobicContact CG-CB 3.99Å; P24-F345 HydrophobicContact CG-CD1 4.06Å; P24-F345 HydrophobicContact CG-CG 4.15Å; P24-F345 VanDerWaalsContact O-CE1 3.24Å; P24-F345 WeakPolarHBondContact O-CE1 3.47Å; P26-F345 HydrophobicContact CG-CE1 4.07Å; W30-F345 CarbonylContact C-O 3.54Å; W30-F345 WeakPolarHBondContact CA-O 3.44Å; S31-F345 PolarHBondContact N-O 2.92Å; F343-F345 HydrophobicContact CD1-CB 4.23Å; F343-F345 HydrophobicContact CE1-CB 3.68Å; F343-F345 HydrophobicContact CE2-CD2 4.48Å; F343-F345 HydrophobicContact CZ-CB 3.98Å; F343-F345 HydrophobicContact CZ-CD2 4.21Å; F343-F345 PolarHBondContact O-N 2.78Å
346S97.4Very high96.2Very high10 Ų1059.4 Ų59.47%0.0731%0.314CS..SBendtrans-60.4164.3165.680.50000110.2E342 F343 N348 Q349 T350E342-S346 PolarHBondContact OE1-OG 3.4Å; F343-S346 WeakPolarHBondContact O-CB 3.46Å; F343-S346 PolarHBondContact O-N 2.84Å; S346-N348 PolarHBondContact OG-N 3.34Å; S346-Q349 PolarHBondContact O-N 3.28Å; S346-Q349 WeakPolarHBondContact OG-CB 3.25Å; S346-Q349 WeakPolarHBondContact OG-CG 3.42Å; S346-Q349 PolarHBondContact OG-N 2.73Å; S346-T350 WeakPolarHBondContact O-CB 3.31Å; S346-T350 PolarHBondContact O-N 3.21Å; S346-T350 PolarHBondContact O-OG1 2.9Å
347Q96.1Very high95.7Very high88 Ų8863 Ų6341%0.41135%0.354SS..Hα-helixtrans-59-48.6174.9178.8172.1-17.300111.5W30 Q349 T350 E351W30-Q347 HydrophobicContact CB-CB 4.33Å; W30-Q347 HydrophobicContact CD2-CB 3.88Å; W30-Q347 HydrophobicContact CD2-CG 4.4Å; W30-Q347 HydrophobicContact CE3-CB 4.29Å; W30-Q347 HydrophobicContact CG-CB 3.9Å; W30-Q347 HydrophobicContact CG-CG 4.28Å; Q347-Q349 PolarHBondContact O-N 3.14Å; Q347-T350 PolarHBondContact O-N 3.43Å; Q347-E351 HydrophobicContact CG-CG 4.42Å; Q347-E351 WeakPolarHBondContact CG-OE1 3.48Å; Q347-E351 PolarHBondContact NE2-OE1 3.35Å; Q347-E351 WeakPolarHBondContact O-CB 3.4Å; Q347-E351 WeakPolarHBondContact O-CG 3.43Å; Q347-E351 PolarHBondContact O-N 2.8Å
348N95.2Very high95.1Very high73 Ų7364 Ų6439%0.3936%0.357SS..Hα-helixtrans-60.7-41.4178.3166.773.5000112.7E342 S346 E351 L352E342-N348 VanDerWaalsContact CD-ND2 3.35Å; E342-N348 WeakPolarHBondContact OE1-CB 3.43Å; E342-N348 PolarHBondContact OE1-ND2 2.88Å; E342-N348 PolarHBondContact OE2-ND2 2.87Å; S346-N348 PolarHBondContact OG-N 3.34Å; N348-E351 PolarHBondContact O-N 3.23Å; N348-L352 WeakPolarHBondContact O-CB 3.28Å; N348-L352 VanDerWaalsContact O-CG 3.31Å; N348-L352 WeakPolarHBondContact O-CG 3.42Å; N348-L352 PolarHBondContact O-N 3.27Å
349Q95.8Very high94.7Very high50 Ų5062.2 Ų62.223%0.23436%0.36CS..Hα-helixtrans-66.7-39.4174.7-72.1-63.8-35.600112.3E342 S346 Q347 E351 Q353E342-Q349 HydrophobicContact CG-CG 3.98Å; E342-Q349 PolarHBondContact OE2-NE2 2.84Å; S346-Q349 PolarHBondContact O-N 3.28Å; S346-Q349 WeakPolarHBondContact OG-CB 3.25Å; S346-Q349 WeakPolarHBondContact OG-CG 3.42Å; S346-Q349 PolarHBondContact OG-N 2.73Å; Q347-Q349 PolarHBondContact O-N 3.14Å; Q349-E351 VanDerWaalsContact C-N 3.33Å; Q349-Q353 WeakPolarHBondContact O-CB 3.46Å; Q349-Q353 WeakPolarHBondContact O-CG 3.32Å; Q349-Q353 PolarHBondContact O-N 2.82Å; Q349-Q353 PolarHBondContact O-NE2 2.96Å
350T96.1Very high94.4Very high0 Ų072.5 Ų72.50%040%0.398CS..Hα-helixtrans-66.4-34.6174.2-660000111.8E29 W30 S346 Q347 H354 I361E29-T350 WeakPolarHBondContact O-CG2 3.22Å; E29-T350 PolarHBondContact O-OG1 3.28Å; W30-T350 HydrophobicContact CB-CG2 4.4Å; S346-T350 WeakPolarHBondContact O-CB 3.31Å; S346-T350 PolarHBondContact O-N 3.21Å; S346-T350 PolarHBondContact O-OG1 2.9Å; Q347-T350 PolarHBondContact O-N 3.43Å; T350-H354 WeakPolarHBondContact O-CB 3.47Å; T350-H354 PolarHBondContact O-N 2.72Å; T350-H354 VanDerWaalsContact O-N 3.14Å; T350-I361 HydrophobicContact CG2-CG2 3.87Å
351E95.8Very high94.3Very high87 Ų8770.8 Ų70.841%0.40738%0.383SS..Hα-helixtrans-68.4-45.7174.9-75.7161.6174.700112Q347 N348 Q349 Q353 H354 I361Q347-E351 HydrophobicContact CG-CG 4.42Å; Q347-E351 WeakPolarHBondContact CG-OE1 3.48Å; Q347-E351 PolarHBondContact NE2-OE1 3.35Å; Q347-E351 WeakPolarHBondContact O-CB 3.4Å; Q347-E351 WeakPolarHBondContact O-CG 3.43Å; Q347-E351 PolarHBondContact O-N 2.8Å; N348-E351 PolarHBondContact O-N 3.23Å; Q349-E351 VanDerWaalsContact C-N 3.33Å; E351-Q353 VanDerWaalsContact C-N 3.26Å; E351-Q353 PolarHBondContact O-N 2.81Å; E351-H354 WeakPolarHBondContact O-CB 3.31Å; E351-H354 PolarHBondContact O-N 2.95Å; E351-I361 HydrophobicContact CB-CD1 4.24Å; E351-I361 HydrophobicContact CG-CD1 3.53Å
352L95.1Very high94.2Very high125 Ų12570 Ų7065%0.65438%0.383SS*.Hα-helixtrans-63.8-28174.5-70.8168.6000113.5N348N348-L352 WeakPolarHBondContact O-CB 3.28Å; N348-L352 VanDerWaalsContact O-CG 3.31Å; N348-L352 WeakPolarHBondContact O-CG 3.42Å; N348-L352 PolarHBondContact O-N 3.27Å
353Q93.9Very high94.1Very high76 Ų7669.4 Ų69.436%0.35538%0.384SS..THydrogen-bonded Turntrans-91.1-4.2178-67.8169.440.600113.4Q349 E351Q349-Q353 WeakPolarHBondContact O-CB 3.46Å; Q349-Q353 WeakPolarHBondContact O-CG 3.32Å; Q349-Q353 PolarHBondContact O-N 2.82Å; Q349-Q353 PolarHBondContact O-NE2 2.96Å; E351-Q353 VanDerWaalsContact C-N 3.26Å; E351-Q353 PolarHBondContact O-N 2.81Å
354H95.4Very high94Very high70 Ų7069.5 Ų69.532%0.32438%0.384SS..  trans-71.9136.8-173.1-174.555.9000112.6G27 T350 E351 G359 I361G27-H354 PolarHBondContact O-ND1 2.83Å; T350-H354 WeakPolarHBondContact O-CB 3.47Å; T350-H354 PolarHBondContact O-N 2.72Å; T350-H354 VanDerWaalsContact O-N 3.14Å; E351-H354 WeakPolarHBondContact O-CB 3.31Å; E351-H354 PolarHBondContact O-N 2.95Å; H354-G359 PolarHBondContact CE1-O 2.86Å; H354-I361 HydrophobicContact CB-CD1 3.78Å; H354-I361 HydrophobicContact CB-CG1 4.31Å
355R92.7Very high93.9Very high189 Ų18968.6 Ų68.671%0.71339%0.385SS*.  trans-119.5141.5176.4-55.6-176.6179.7-161.3-3.2111.2G357 Q358R355-G357 PolarHBondContact O-N 3.44Å; R355-Q358 HydrophobicContact CB-CG 4.26Å; R355-Q358 WeakPolarHBondContact O-CB 3.24Å; R355-Q358 WeakPolarHBondContact O-CG 3.46Å; R355-Q358 PolarHBondContact O-N 2.76Å; R355-Q358 VanDerWaalsContact O-N 3.12Å
356G87.9Confident93.9Very high81 Ų8167.1 Ų67.184%0.83538%0.381SS*.THydrogen-bonded Turntrans-50.3133.5170.900000111.3
357G86.3Confident93.9Very high86 Ų8666.9 Ų66.989%0.88738%0.379SS*.THydrogen-bonded Turntrans94.6-16.8-175.800000115.9R355 G359R355-G357 PolarHBondContact O-N 3.44Å; G357-G359 PolarHBondContact O-N 3.42Å
358Q85.8Confident94Very high61 Ų6162.8 Ų62.829%0.28536%0.36SS..SBendtrans-72.7-4.9177.6-65-174.2-80.500114.2P26 R28 R355P26-Q358 PolarHBondContact O-NE2 2.82Å; R28-Q358 WeakPolarHBondContact CD-O 3.32Å; R28-Q358 PolarHBondContact NE-O 2.88Å; R28-Q358 VanDerWaalsContact NE-O 3.14Å; R355-Q358 HydrophobicContact CB-CG 4.26Å; R355-Q358 WeakPolarHBondContact O-CB 3.24Å; R355-Q358 WeakPolarHBondContact O-CG 3.46Å; R355-Q358 PolarHBondContact O-N 2.76Å; R355-Q358 VanDerWaalsContact O-N 3.12Å
359G90.3Very high94.2Very high43 Ų4359.5 Ų59.544%0.44334%0.343SS..  trans74.3176-174.700000112.9H354 G357 I361H354-G359 PolarHBondContact CE1-O 2.86Å; G357-G359 PolarHBondContact O-N 3.42Å; G359-I361 PolarHBondContact O-N 3.39Å
360R93.5Very high94.3Very high220 Ų22058.2 Ų58.283%0.8334%0.336SS*.  trans-65.7129.5-169.3-165.9-173.666.9-174.3-3.7112.8
361I95.8Very high94.4Very high36 Ų3658.4 Ų58.419%0.18534%0.337CS..  trans-50.4140.4169.4-60.2174.3000110.9R28 T350 E351 H354 G359R28-I361 CarbonylContact O-C 3.59Å; R28-I361 WeakPolarHBondContact O-CA 3.23Å; T350-I361 HydrophobicContact CG2-CG2 3.87Å; E351-I361 HydrophobicContact CB-CD1 4.24Å; E351-I361 HydrophobicContact CG-CD1 3.53Å; H354-I361 HydrophobicContact CB-CD1 3.78Å; H354-I361 HydrophobicContact CB-CG1 4.31Å; G359-I361 PolarHBondContact O-N 3.39Å
362S95.7Very high94.5Very high42 Ų4256.6 Ų56.629%0.29433%0.33SS..EExtended strand (participates in β ladder)trans-152.1159.8178.568.30000114.5R28 E29 W30R28-S362 PolarHBondContact O-N 3.22Å; E29-S362 CarbonylContact C-O 3.51Å; E29-S362 WeakPolarHBondContact CA-O 3.28Å; W30-S362 PolarHBondContact N-O 3.23Å
363A95.4Very high94.6Very high24 Ų2451.3 Ų51.320%0.19830%0.303CS..EExtended strand (participates in β ladder)trans-67.6133170.700000110.5W30 K61W30-A363 HydrophobicContact CD2-CB 4.29Å; W30-A363 HydrophobicContact CH2-CB 4.08Å; W30-A363 HydrophobicContact CZ2-CB 3.75Å; W30-A363 HydrophobicContact CZ3-CB 4.48Å; W30-A363 CarbonylContact O-C 3.56Å; K61-A363 WeakPolarHBondContact CE-O 3.31Å; K61-A363 PolarHBondContact NZ-O 2.82Å
364C96.1Very high94.7Very high3 Ų352.2 Ų52.22%0.0232%0.324CS..  trans-53.2137.3-170.7-178.30000113.9P24 E29 W30 K61 A366P24-C364 HydrophobicContact CB-CB 4.1Å; P24-C364 HydrophobicContact CG-CB 4.03Å; E29-C364 HydrophobicContact CB-CB 4.16Å; E29-C364 VanDerWaalsContact OE1-CA 3.29Å; E29-C364 WeakPolarHBondContact OE1-CA 3.18Å; E29-C364 PolarHBondContact OE2-SG 3.22Å; W30-C364 WeakPolarHBondContact O-CB 3.39Å; W30-C364 PolarHBondContact O-N 2.84Å; K61-C364 VanDerWaalsContact CE-O 3.29Å; K61-C364 WeakPolarHBondContact CE-O 3.38Å; K61-C364 VanDerWaalsContact NZ-C 3.26Å; K61-C364 PolarHBondContact NZ-O 2.86Å; C364-A366 PolarHBondContact O-N 2.61Å
365G94.5Very high94.6Very high38 Ų3853.5 Ų53.539%0.39233%0.333SS..SBendtrans-59.2-31177.900000114.7E29E29-G365 PolarHBondContact OE1-N 2.88Å
366A96.9Very high94.7Very high8 Ų849 Ų497%0.06632%0.32CS..  trans-109.2160.4-172.600000113.6C364 V380 T381C364-A366 PolarHBondContact O-N 2.61Å; A366-V380 HydrophobicContact CB-CG1 4.32Å; A366-T381 CarbonylContact C-O 3.44Å; A366-T381 VanDerWaalsContact CA-O 3.3Å; A366-T381 WeakPolarHBondContact CA-O 3.44Å
367A98Very high95.2Very high4 Ų447.3 Ų47.33%0.03329%0.294CS..EExtended strand (participates in β ladder)trans-126117.6169.200000109.1T58 T381T58-A367 WeakPolarHBondContact O-CA 3.5Å; T58-A367 WeakPolarHBondContact O-CB 3.39Å; A367-T381 PolarHBondContact N-O 3.29Å; A367-T381 PolarHBondContact O-N 3.15Å; A367-T381 PolarHBondContact O-OG1 2.87Å
368I98.6Very high95.7Very high2 Ų246 Ų461%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-84143.1174.7-61.2159.8000108.5F15 L18 G22 K23 G57 T58 L378 V380F15-I368 HydrophobicContact CE2-CD1 3.9Å; L18-I368 HydrophobicContact CD1-CG2 3.82Å; G22-I368 VanDerWaalsContact C-CD1 3.49Å; G22-I368 VanDerWaalsContact O-CD1 3.25Å; G22-I368 WeakPolarHBondContact O-CD1 3.29Å; G22-I368 WeakPolarHBondContact O-CG1 3.47Å; K23-I368 HydrophobicContact CB-CD1 4.47Å; K23-I368 HydrophobicContact CG-CD1 3.75Å; G57-I368 CarbonylContact C-O 3.6Å; G57-I368 WeakPolarHBondContact CA-O 3.28Å; T58-I368 PolarHBondContact N-O 3.2Å; T58-I368 WeakPolarHBondContact OG1-CB 3.2Å; T58-I368 PolarHBondContact OG1-N 2.77Å; I368-L378 HydrophobicContact CG2-CD1 3.66Å; I368-V380 HydrophobicContact CG1-CG1 4.43Å; I368-V380 HydrophobicContact CG1-CG2 4.35Å
369S98.4Very high96.2Very high4 Ų443.5 Ų43.53%0.02826%0.255CS..EExtended strand (participates in β ladder)trans-131.6132.416964.60000110.1L378 D379 L403S369-L378 WeakPolarHBondContact O-CA 3.46Å; S369-D379 PolarHBondContact N-O 2.89Å; S369-D379 PolarHBondContact O-N 3.4Å; S369-D379 VanDerWaalsContact O-O 3.07Å; S369-D379 WeakPolarHBondContact OG-CB 3.44Å; S369-D379 PolarHBondContact OG-O 3.38Å; S369-L403 VanDerWaalsContact CB-CD1 3.49Å
370W98.7Very high96.6Very high24 Ų2441.5 Ų41.59%0.09123%0.234CC..EExtended strand (participates in β ladder)trans-131.6144.2174.2179.284.8000110.4R14 L18 V53 S55 L56 N372 P377 L378R14-W370 HydrophobicContact CG-CE3 4.11Å; R14-W370 HydrophobicContact CG-CZ3 4.17Å; L18-W370 HydrophobicContact CD1-CB 4.35Å; L18-W370 HydrophobicContact CD2-CB 4.17Å; L18-W370 HydrophobicContact CD2-CG 3.94Å; V53-W370 HydrophobicContact CG1-CZ3 4.16Å; V53-W370 WeakPolarHBondContact O-CH2 3.32Å; V53-W370 VanDerWaalsContact O-CZ3 3.22Å; V53-W370 WeakPolarHBondContact O-CZ3 3.29Å; S55-W370 CarbonylContact C-O 3.6Å; S55-W370 VanDerWaalsContact CA-O 3.28Å; S55-W370 WeakPolarHBondContact CA-O 3.36Å; S55-W370 PolarHBondContact OG-O 2.95Å; L56-W370 HydrophobicContact CB-CB 4.41Å; L56-W370 HydrophobicContact CB-CE3 4.12Å; L56-W370 PolarHBondContact N-O 3.12Å; L56-W370 PolarHBondContact O-N 3.4Å; W370-N372 HydrophobicContact CH2-CB 3.69Å; W370-N372 HydrophobicContact CZ2-CB 4.24Å; W370-N372 HydrophobicContact CZ3-CB 4.39Å; W370-P377 CarbonylContact C-O 3.57Å; W370-P377 VanDerWaalsContact CA-O 3.25Å; W370-P377 WeakPolarHBondContact CA-O 3.3Å; W370-L378 HydrophobicContact CB-CD1 4.47Å
371C98.2Very high96.8Very high3 Ų331 Ų312%0.0220%0.195CC..EExtended strand (participates in β ladder)trans-148.6151175.548.50000110.9V54 G87 V373 P377V54-C371 CarbonylContact O-C 3.55Å; V54-C371 WeakPolarHBondContact O-CA 3.38Å; G87-C371 WeakPolarHBondContact O-CB 3.49Å; C371-V373 PolarHBondContact O-N 3.34Å; C371-P377 PolarHBondContact N-O 3.43Å; C371-P377 WeakPolarHBondContact O-CB 3.41Å
372N98Very high96.8Very high49 Ų4930.2 Ų30.226%0.26219%0.194SC..SBendtrans-80.663.2-172.9-157.129.6000111.7E52 V54 Y91 W370E52-N372 PolarHBondContact OE1-ND2 2.94Å; V54-N372 HydrophobicContact CB-CB 4.38Å; V54-N372 WeakPolarHBondContact O-CB 3.35Å; V54-N372 PolarHBondContact O-N 2.88Å; Y91-N372 HydrophobicContact CD2-CB 4.19Å; Y91-N372 VanDerWaalsContact CD2-O 3.32Å; Y91-N372 WeakPolarHBondContact CD2-O 3.46Å; Y91-N372 HydrophobicContact CE2-CB 4.39Å; W370-N372 HydrophobicContact CH2-CB 3.69Å; W370-N372 HydrophobicContact CZ2-CB 4.24Å; W370-N372 HydrophobicContact CZ3-CB 4.39Å
373V97.3Very high96.6Very high14 Ų1432.9 Ų32.99%0.08521%0.205CC..  trans-121.8152.9-176.9-64.80000110.8Q94 C371 D375 P377Q94-V373 HydrophobicContact CB-CG1 4.18Å; Q94-V373 VanDerWaalsContact OE1-CA 3.23Å; Q94-V373 VanDerWaalsContact OE1-CB 3.23Å; C371-V373 PolarHBondContact O-N 3.34Å; V373-D375 WeakPolarHBondContact CG2-O 3.31Å; V373-P377 HydrophobicContact CG2-CB 4.25Å
374A94.8Very high96.6Very high96 Ų9631.8 Ų31.879%0.79320%0.196SC*.SBendtrans-70.5-44.4-174.600000112.5
375D94Very high96.6Very high96 Ų9634.5 Ų34.551%0.51321%0.206SC..SBendtrans-95.4135.6177.1176.951.8000112.4R90 V373R90-D375 PolarHBondContact NH2-O 3.32Å; V373-D375 WeakPolarHBondContact CG2-O 3.31Å
376Q94.9Very high96.7Very high94 Ų9434.5 Ų34.544%0.43920%0.195SC..  trans39.161.5176.3-68.5166.79000113.5R90 L378 L402R90-Q376 PolarHBondContact NH1-O 2.98Å; Q376-L378 PolarHBondContact O-N 2.92Å; Q376-L402 HydrophobicContact CB-CD1 3.46Å; Q376-L402 VanDerWaalsContact CB-CD1 3.46Å; Q376-L402 HydrophobicContact CG-CD1 4.29Å
377P97.3Very high96.6Very high47 Ų4738 Ų3831%0.30521%0.21SC..  trans-66-20.3-176.524.5-34.2000114W370 C371 V373W370-P377 CarbonylContact C-O 3.57Å; W370-P377 VanDerWaalsContact CA-O 3.25Å; W370-P377 WeakPolarHBondContact CA-O 3.3Å; C371-P377 PolarHBondContact N-O 3.43Å; C371-P377 WeakPolarHBondContact O-CB 3.41Å; V373-P377 HydrophobicContact CG2-CB 4.25Å
378L97.7Very high96.2Very high58 Ų5841 Ų4130%0.30424%0.241SC..EExtended strand (participates in β ladder)trans-114.6126.9-177.7179.171.2000111L18 P19 I368 S369 W370 Q376 V380L18-L378 HydrophobicContact CD2-CD1 4.47Å; P19-L378 HydrophobicContact CG-CD2 3.76Å; I368-L378 HydrophobicContact CG2-CD1 3.66Å; S369-L378 WeakPolarHBondContact O-CA 3.46Å; W370-L378 HydrophobicContact CB-CD1 4.47Å; Q376-L378 PolarHBondContact O-N 2.92Å; L378-V380 HydrophobicContact CD1-CG2 4.42Å; L378-V380 HydrophobicContact CG-CG2 4.41Å
379D96.3Very high95.9Very high8 Ų842.9 Ų42.94%0.04325%0.252CS..EExtended strand (participates in β ladder)trans-132.9142.8169.7-178.526.6000109.8S369 K386 S401 L402S369-D379 PolarHBondContact N-O 2.89Å; S369-D379 PolarHBondContact O-N 3.4Å; S369-D379 VanDerWaalsContact O-O 3.07Å; S369-D379 WeakPolarHBondContact OG-CB 3.44Å; S369-D379 PolarHBondContact OG-O 3.38Å; D379-K386 VanDerWaalsContact OD1-CE 3.25Å; D379-K386 WeakPolarHBondContact OD1-CE 3.37Å; D379-K386 VanDerWaalsContact OD1-CG 3.25Å; D379-K386 WeakPolarHBondContact OD1-CG 3.34Å; D379-S401 WeakPolarHBondContact OD2-CA 3.41Å; D379-S401 VanDerWaalsContact OD2-CB 3.28Å; D379-S401 WeakPolarHBondContact OD2-CB 3.31Å; D379-S401 PolarHBondContact OD2-OG 2.91Å; D379-L402 PolarHBondContact OD2-N 3.31Å
380V98.1Very high95.5Very high2 Ų246.6 Ų46.61%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-131.3123.6-173.3-177.30000108.3A366 I368 L378 H387A366-V380 HydrophobicContact CB-CG1 4.32Å; I368-V380 HydrophobicContact CG1-CG1 4.43Å; I368-V380 HydrophobicContact CG1-CG2 4.35Å; L378-V380 HydrophobicContact CD1-CG2 4.42Å; L378-V380 HydrophobicContact CG-CG2 4.41Å; V380-H387 HydrophobicContact CB-CB 4.46Å; V380-H387 HydrophobicContact CG1-CB 3.99Å; V380-H387 WeakPolarHBondContact O-CB 3.38Å; V380-H387 PolarHBondContact O-N 2.72Å
381T97.8Very high95Very high0 Ų054.5 Ų54.50%031%0.31CS..EExtended strand (participates in β ladder)trans-123.6154-166.564.40000113L75 A366 A367 Y385 S401L75-T381 HydrophobicContact CD2-CG2 4.17Å; A366-T381 CarbonylContact C-O 3.44Å; A366-T381 VanDerWaalsContact CA-O 3.3Å; A366-T381 WeakPolarHBondContact CA-O 3.44Å; A367-T381 PolarHBondContact N-O 3.29Å; A367-T381 PolarHBondContact O-N 3.15Å; A367-T381 PolarHBondContact O-OG1 2.87Å; T381-Y385 CarbonylContact C-O 3.56Å; T381-Y385 WeakPolarHBondContact CA-O 3.36Å; T381-Y385 VanDerWaalsContact CB-O 3.22Å; T381-Y385 WeakPolarHBondContact CB-O 3.5Å; T381-S401 WeakPolarHBondContact CG2-OG 3.49Å
382A95.4Very high94.6Very high19 Ų1964 Ų6416%0.15735%0.351CS..EExtended strand (participates in β ladder)trans-146.6134.9170.500000109.4G384 Y385A382-G384 PolarHBondContact O-N 2.72Å; A382-G384 VanDerWaalsContact O-N 3.13Å; A382-Y385 PolarHBondContact N-O 2.78Å; A382-Y385 PolarHBondContact O-N 3.46Å; A382-Y385 VanDerWaalsContact O-N 3.16Å
383N93.1Very high94.3Very high98 Ų9864 Ų6452%0.52435%0.353SS..THydrogen-bonded Turntrans50.632.6-176.5-45.4-75.6000114.2R260R260-N383 PolarHBondContact NH1-OD1 2.61Å
384G94.4Very high94Very high1 Ų166.8 Ų66.81%0.0137%0.367CS..THydrogen-bonded Turntrans86.7-3.2177.800000116.6L75 A382L75-G384 WeakPolarHBondContact CB-O 3.25Å; L75-G384 PolarHBondContact N-O 2.98Å; L75-G384 VanDerWaalsContact O-CA 3.24Å; L75-G384 WeakPolarHBondContact O-CA 3.29Å; A382-G384 PolarHBondContact O-N 2.72Å; A382-G384 VanDerWaalsContact O-N 3.13Å
385Y96.7Very high93.7Very high60 Ų6064.1 Ų64.124%0.23535%0.348CS..EExtended strand (participates in β ladder)trans-116170.6176.2-61.9-80.3000111.3V74 T381 A382 L394 A399V74-Y385 HydrophobicContact CG2-CE1 3.77Å; V74-Y385 HydrophobicContact CG2-CE2 4.18Å; V74-Y385 VanDerWaalsContact CG2-CZ 3.49Å; V74-Y385 VanDerWaalsContact CG2-OH 3.28Å; V74-Y385 WeakPolarHBondContact CG2-OH 3.5Å; T381-Y385 CarbonylContact C-O 3.56Å; T381-Y385 WeakPolarHBondContact CA-O 3.36Å; T381-Y385 VanDerWaalsContact CB-O 3.22Å; T381-Y385 WeakPolarHBondContact CB-O 3.5Å; A382-Y385 PolarHBondContact N-O 2.78Å; A382-Y385 PolarHBondContact O-N 3.46Å; A382-Y385 VanDerWaalsContact O-N 3.16Å; Y385-L394 HydrophobicContact CD1-CD2 3.85Å; Y385-L394 HydrophobicContact CD2-CD2 4.14Å; Y385-L394 HydrophobicContact CE1-CD2 3.7Å; Y385-L394 HydrophobicContact CE2-CD2 3.99Å; Y385-L394 HydrophobicContact CG-CD2 4.06Å; Y385-A399 HydrophobicContact CD1-CB 4.34Å
386K96.5Very high93.6Very high38 Ų3862.1 Ų62.117%0.16534%0.34CS..EExtended strand (participates in β ladder)trans-57.1141.7169.7-90.4168.4176.3148.70111.5D379 G388 V389 K398 A399 R400D379-K386 VanDerWaalsContact OD1-CE 3.25Å; D379-K386 WeakPolarHBondContact OD1-CE 3.37Å; D379-K386 VanDerWaalsContact OD1-CG 3.25Å; D379-K386 WeakPolarHBondContact OD1-CG 3.34Å; K386-G388 PolarHBondContact O-N 3.02Å; K386-V389 HydrophobicContact CB-CG2 3.72Å; K386-V389 VanDerWaalsContact O-CB 3.24Å; K386-V389 WeakPolarHBondContact O-CB 3.43Å; K386-V389 WeakPolarHBondContact O-CG2 3.24Å; K386-V389 PolarHBondContact O-N 3.3Å; K386-K398 WeakPolarHBondContact CD-O 3.42Å; K386-A399 PolarHBondContact N-O 3.03Å; K386-R400 WeakPolarHBondContact CD-O 3.16Å; K386-R400 WeakPolarHBondContact CE-O 3.49Å; K386-R400 PolarHBondContact NZ-O 3.21Å
387H94.5Very high93.6Very high81 Ų8161.7 Ų61.738%0.37535%0.345SS..THydrogen-bonded Turntrans-69.4131.5-175.7-177.1-139.4000111.6R21 V380R21-H387 PolarHBondContact NH2-O 3.48Å; V380-H387 HydrophobicContact CB-CB 4.46Å; V380-H387 HydrophobicContact CG1-CB 3.99Å; V380-H387 WeakPolarHBondContact O-CB 3.38Å; V380-H387 PolarHBondContact O-N 2.72Å
388G90.4Very high93.4Very high67 Ų6767.8 Ų67.869%0.69137%0.367SS*.THydrogen-bonded Turntrans86.73.8-173.900000114.9K386 T390K386-G388 PolarHBondContact O-N 3.02Å; G388-T390 PolarHBondContact O-N 2.84Å
389V91.5Very high93.3Very high41 Ų4165 Ų6525%0.24835%0.352CS..  trans-62.8129.6173.11630000111.2K386 V393 L394 A399K386-V389 HydrophobicContact CB-CG2 3.72Å; K386-V389 VanDerWaalsContact O-CB 3.24Å; K386-V389 WeakPolarHBondContact O-CB 3.43Å; K386-V389 WeakPolarHBondContact O-CG2 3.24Å; K386-V389 PolarHBondContact O-N 3.3Å; V389-V393 HydrophobicContact CG1-CG2 4.08Å; V389-L394 HydrophobicContact CG1-CD2 3.65Å; V389-L394 HydrophobicContact CG1-CG 4.45Å; V389-A399 HydrophobicContact CG1-CB 3.74Å; V389-A399 HydrophobicContact CG2-CB 3.98Å
390T90.3Very high93.2Very high82 Ų8266.5 Ų66.550%0.50336%0.357SS..  trans-97.4160.4173.968.90000111G388 K392 V393G388-T390 PolarHBondContact O-N 2.84Å; T390-K392 PolarHBondContact O-N 3.28Å; T390-K392 VanDerWaalsContact O-N 3.07Å; T390-V393 PolarHBondContact O-N 3.29Å; T390-V393 VanDerWaalsContact O-N 3.15Å
391K87.8Confident93.2Very high190 Ų19066.4 Ų66.483%0.82636%0.357SS*.G310 helixtrans-53.1-31.4177.5-68.7-176.2178.2179.70113.4V393 L394K391-V393 PolarHBondContact O-N 3.47Å; K391-L394 HydrophobicContact CB-CD1 4.47Å
392K90.1Very high93.1Very high202 Ų20267.5 Ų67.588%0.87836%0.363SS*.G310 helixtrans-65.4-18-177.8-65.8-172.9178.1-175.50114.5T390T390-K392 PolarHBondContact O-N 3.28Å; T390-K392 VanDerWaalsContact O-N 3.07Å
393V92.1Very high93.3Very high50 Ų5066.7 Ų66.730%0.30336%0.356SS..G310 helixtrans-119.98.7-176.4-56.50000113.9V389 T390 K391 T396 A399V389-V393 HydrophobicContact CG1-CG2 4.08Å; T390-V393 PolarHBondContact O-N 3.29Å; T390-V393 VanDerWaalsContact O-N 3.15Å; K391-V393 PolarHBondContact O-N 3.47Å; V393-T396 WeakPolarHBondContact O-CB 3.43Å; V393-T396 WeakPolarHBondContact O-CG2 3.2Å; V393-T396 PolarHBondContact O-N 3.49Å; V393-T396 PolarHBondContact O-OG1 2.87Å; V393-A399 VanDerWaalsContact O-CB 3.26Å; V393-A399 WeakPolarHBondContact O-CB 3.48Å
394L89.8Confident93.5Very high73 Ų7362 Ų6238%0.38233%0.331SS..THydrogen-bonded Turntrans-59.5153.2172.8-65.8175000111.3Y385 V389 K391 T396Y385-L394 HydrophobicContact CD1-CD2 3.85Å; Y385-L394 HydrophobicContact CD2-CD2 4.14Å; Y385-L394 HydrophobicContact CE1-CD2 3.7Å; Y385-L394 HydrophobicContact CE2-CD2 3.99Å; Y385-L394 HydrophobicContact CG-CD2 4.06Å; V389-L394 HydrophobicContact CG1-CD2 3.65Å; V389-L394 HydrophobicContact CG1-CG 4.45Å; K391-L394 HydrophobicContact CB-CD1 4.47Å; L394-T396 PolarHBondContact O-N 3.48Å
395G88.6Confident93.7Very high39 Ų3963 Ų6340%0.40234%0.335SS..THydrogen-bonded Turntrans73.9-27.1-172.300000115R400G395-R400 PolarHBondContact O-NE 2.94Å; G395-R400 PolarHBondContact O-NH2 3.35Å
396T92.9Very high93.8Very high55 Ų5560.7 Ų60.734%0.33733%0.327SS..SBendtrans-74.6152.2177.879.30000112.2V393 L394 K398 A399V393-T396 WeakPolarHBondContact O-CB 3.43Å; V393-T396 WeakPolarHBondContact O-CG2 3.2Å; V393-T396 PolarHBondContact O-N 3.49Å; V393-T396 PolarHBondContact O-OG1 2.87Å; L394-T396 PolarHBondContact O-N 3.48Å; T396-K398 PolarHBondContact O-N 3.11Å; T396-K398 VanDerWaalsContact O-N 3.09Å; T396-K398 PolarHBondContact OG1-N 3.24Å; T396-A399 PolarHBondContact O-N 3.11Å
397P93.7Very high93.8Very high85 Ų8560.3 Ų60.355%0.55233%0.325SS*.G310 helixtrans-55.2-28175.4-27.435.7000114.5A399 R400P397-A399 PolarHBondContact O-N 3.48Å; P397-R400 PolarHBondContact O-N 2.95Å
398K93.5Very high94Very high174 Ų17457 Ų5776%0.75731%0.31SS*.G310 helixtrans-63-26.5176.5-65.4-176.7178.5179.60112.8K386 T396K386-K398 WeakPolarHBondContact CD-O 3.42Å; T396-K398 PolarHBondContact O-N 3.11Å; T396-K398 VanDerWaalsContact O-N 3.09Å; T396-K398 PolarHBondContact OG1-N 3.24Å
399A95.4Very high94.4Very high0 Ų053.9 Ų53.90%028%0.278CS..G310 helixtrans-85.5-20.8177.700000114.6Y385 K386 V389 V393 T396 P397Y385-A399 HydrophobicContact CD1-CB 4.34Å; K386-A399 PolarHBondContact N-O 3.03Å; V389-A399 HydrophobicContact CG1-CB 3.74Å; V389-A399 HydrophobicContact CG2-CB 3.98Å; V393-A399 VanDerWaalsContact O-CB 3.26Å; V393-A399 WeakPolarHBondContact O-CB 3.48Å; T396-A399 PolarHBondContact O-N 3.11Å; P397-A399 PolarHBondContact O-N 3.48Å
400R95.8Very high94.7Very high39 Ų3955.5 Ų55.515%0.14728%0.282CS..SBendtrans-82.7136.8-167.8-56.1179-169.3160.8-0.4111.5D73 K386 G395 P397 L406 E407D73-R400 HydrophobicContact CB-CG 3.94Å; K386-R400 WeakPolarHBondContact CD-O 3.16Å; K386-R400 WeakPolarHBondContact CE-O 3.49Å; K386-R400 PolarHBondContact NZ-O 3.21Å; G395-R400 PolarHBondContact O-NE 2.94Å; G395-R400 PolarHBondContact O-NH2 3.35Å; P397-R400 PolarHBondContact O-N 2.95Å; R400-L406 VanDerWaalsContact NH1-CD2 3.29Å; R400-E407 HydrophobicContact CB-CG 4.21Å; R400-E407 WeakPolarHBondContact CD-OE1 3.22Å; R400-E407 IonicContact CZ-OE1 3.11Å; R400-E407 IonicContact NE-OE1 3.19Å; R400-E407 IonicContact NH1-OE1 3.26Å; R400-E407 PolarHBondContact NH1-OE1 2.87Å
401S97Very high95.1Very high0 Ų053.2 Ų53.20%027%0.27CS..  trans-65.7140.2165178.10000109.9D379 T381 L403 C404D379-S401 WeakPolarHBondContact OD2-CA 3.41Å; D379-S401 VanDerWaalsContact OD2-CB 3.28Å; D379-S401 WeakPolarHBondContact OD2-CB 3.31Å; D379-S401 PolarHBondContact OD2-OG 2.91Å; T381-S401 WeakPolarHBondContact CG2-OG 3.49Å; S401-L403 PolarHBondContact O-N 2.98Å; S401-L403 VanDerWaalsContact O-N 3.09Å; S401-L403 PolarHBondContact OG-N 3.2Å; S401-L403 VanDerWaalsContact OG-N 3.1Å; S401-C404 WeakPolarHBondContact O-CB 3.34Å; S401-C404 PolarHBondContact O-N 3.34Å; S401-C404 PolarHBondContact O-SG 3.06Å; S401-C404 VanDerWaalsContact O-SG 3.35Å
402L96.8Very high95.6Very high23 Ų2344.1 Ų44.112%0.1223%0.23CC..THydrogen-bonded Turntrans-64.2-12.5171.6-61.3174.8000111.9Q376 D379Q376-L402 HydrophobicContact CB-CD1 3.46Å; Q376-L402 VanDerWaalsContact CB-CD1 3.46Å; Q376-L402 HydrophobicContact CG-CD1 4.29Å; D379-L402 PolarHBondContact OD2-N 3.31Å
403L98.1Very high96Very high2 Ų237 Ų371%0.0120%0.202CC..THydrogen-bonded Turntrans-104.112.6174.4-54.5-169.9000113.6I83 R86 R90 S369 S401 L408I83-L403 HydrophobicContact CG2-CD1 4.15Å; R86-L403 HydrophobicContact CB-CB 4.21Å; R86-L403 HydrophobicContact CB-CD1 4.13Å; R86-L403 PolarHBondContact NE-O 2.79Å; R86-L403 PolarHBondContact NH2-O 3.12Å; R90-L403 HydrophobicContact CB-CD2 4.17Å; S369-L403 VanDerWaalsContact CB-CD1 3.49Å; S401-L403 PolarHBondContact O-N 2.98Å; S401-L403 VanDerWaalsContact O-N 3.09Å; S401-L403 PolarHBondContact OG-N 3.2Å; S401-L403 VanDerWaalsContact OG-N 3.1Å; L403-L408 HydrophobicContact CD2-CD2 4.22Å
404C97.9Very high96.3Very high0 Ų037.2 Ų37.20%021%0.205CC..SBendtrans-68-178.8170.379.40000111.4D73 R86 S401 E407 L408D73-C404 WeakPolarHBondContact O-CB 3.17Å; R86-C404 PolarHBondContact NH2-O 3.04Å; S401-C404 WeakPolarHBondContact O-CB 3.34Å; S401-C404 PolarHBondContact O-N 3.34Å; S401-C404 PolarHBondContact O-SG 3.06Å; S401-C404 VanDerWaalsContact O-SG 3.35Å; C404-E407 PolarHBondContact SG-N 3.21Å; C404-E407 VanDerWaalsContact SG-N 3.4Å; C404-L408 WeakPolarHBondContact O-CG 3.1Å
405K98.3Very high96.7Very high22 Ų2233.8 Ų33.810%0.09619%0.187CC..Hα-helixtrans-71-40.5179.1-48.6176.1-164146.30111.1G72 F409 Y436 L468 F471G72-K405 WeakPolarHBondContact O-CA 3.47Å; G72-K405 VanDerWaalsContact O-CB 3.31Å; G72-K405 WeakPolarHBondContact O-CB 3.4Å; G72-K405 PolarHBondContact O-N 3.43Å; K405-F409 WeakPolarHBondContact O-CB 3.28Å; K405-F409 PolarHBondContact O-N 2.96Å; K405-F409 VanDerWaalsContact O-N 3.07Å; K405-Y436 HydrophobicContact CB-CE1 4.38Å; K405-Y436 HydrophobicContact CD-CE1 4.29Å; K405-L468 PolarHBondContact NZ-O 3.46Å; K405-F471 HydrophobicContact CB-CE1 4.14Å; K405-F471 HydrophobicContact CB-CE2 4.43Å; K405-F471 HydrophobicContact CB-CZ 3.55Å; K405-F471 HydrophobicContact CD-CE1 3.88Å; K405-F471 HydrophobicContact CD-CZ 4.11Å
406L98.1Very high97.2Very high12 Ų1233.2 Ų33.26%0.06318%0.176CC..Hα-helixtrans-65.9-52.6-173.9-175.960.7000111.9G72 D73 R400 L408 F409 H410 F471 R472G72-L406 PolarHBondContact O-N 2.85Å; G72-L406 VanDerWaalsContact O-N 3.11Å; D73-L406 HydrophobicContact CB-CD2 4.12Å; R400-L406 VanDerWaalsContact NH1-CD2 3.29Å; L406-L408 VanDerWaalsContact C-N 3.35Å; L406-L408 PolarHBondContact O-N 2.87Å; L406-F409 CarbonylContact O-C 3.55Å; L406-F409 WeakPolarHBondContact O-CA 3.49Å; L406-F409 WeakPolarHBondContact O-CB 3.09Å; L406-F409 PolarHBondContact O-N 2.87Å; L406-H410 WeakPolarHBondContact CD1-NE2 3.25Å; L406-H410 PolarHBondContact O-N 2.86Å; L406-F471 HydrophobicContact CB-CE2 4.37Å; L406-F471 HydrophobicContact CD1-CD2 3.65Å; L406-F471 HydrophobicContact CD1-CE2 4Å; L406-R472 WeakPolarHBondContact CD1-O 3.46Å
407E98Very high97.4Very high30 Ų3034.9 Ų34.914%0.1420%0.195CC..Hα-helixtrans-68.9-30-178.2-54.6-47.6142.100113.2R400 C404 F409 H410 S411R400-E407 HydrophobicContact CB-CG 4.21Å; R400-E407 WeakPolarHBondContact CD-OE1 3.22Å; R400-E407 IonicContact CZ-OE1 3.11Å; R400-E407 IonicContact NE-OE1 3.19Å; R400-E407 IonicContact NH1-OE1 3.26Å; R400-E407 PolarHBondContact NH1-OE1 2.87Å; C404-E407 PolarHBondContact SG-N 3.21Å; C404-E407 VanDerWaalsContact SG-N 3.4Å; E407-F409 VanDerWaalsContact C-N 3.29Å; E407-H410 IonicContact OE1-CE1 2.69Å; E407-H410 IonicContact OE1-ND1 2.69Å; E407-H410 IonicContact OE2-CE1 2.78Å; E407-H410 IonicContact OE2-CG 2.69Å; E407-H410 IonicContact OE2-ND1 3.37Å; E407-H410 PolarHBondContact OE2-ND1 2.63Å; E407-S411 WeakPolarHBondContact O-CB 3.25Å; E407-S411 PolarHBondContact O-N 2.83Å; E407-S411 PolarHBondContact O-OG 3.27Å
408L98.6Very high97.6Very high12 Ų1232.1 Ų32.16%0.06318%0.18CC..Hα-helixtrans-69.8-25.7168.3-68.2-173.3000112.7R86 I89 R90 L403 C404 L406 F412R86-L408 HydrophobicContact CB-CD1 4.37Å; I89-L408 HydrophobicContact CG2-CD1 4.37Å; R90-L408 HydrophobicContact CB-CD2 3.82Å; R90-L408 HydrophobicContact CG-CD2 4.28Å; L403-L408 HydrophobicContact CD2-CD2 4.22Å; C404-L408 WeakPolarHBondContact O-CG 3.1Å; L406-L408 VanDerWaalsContact C-N 3.35Å; L406-L408 PolarHBondContact O-N 2.87Å; L408-F412 PolarHBondContact O-N 3.07Å
409F98.7Very high97.7Very high0 Ų024.2 Ų24.20%015%0.146CC..Hα-helixtrans-78.9-44.3174.6-175.3-140.1000111.4L285 K405 L406 E407 S411 F412 L413 Y436 H439 F471 R472L285-F409 HydrophobicContact CD1-CD2 3.93Å; K405-F409 WeakPolarHBondContact O-CB 3.28Å; K405-F409 PolarHBondContact O-N 2.96Å; K405-F409 VanDerWaalsContact O-N 3.07Å; L406-F409 CarbonylContact O-C 3.55Å; L406-F409 WeakPolarHBondContact O-CA 3.49Å; L406-F409 WeakPolarHBondContact O-CB 3.09Å; L406-F409 PolarHBondContact O-N 2.87Å; E407-F409 VanDerWaalsContact C-N 3.29Å; F409-S411 VanDerWaalsContact C-N 3.26Å; F409-S411 PolarHBondContact O-N 2.83Å; F409-F412 HydrophobicContact CD2-CD1 4.09Å; F409-F412 HydrophobicContact CE2-CD1 4.12Å; F409-F412 CarbonylContact O-C 3.58Å; F409-F412 WeakPolarHBondContact O-CA 3.17Å; F409-F412 WeakPolarHBondContact O-CB 3Å; F409-F412 PolarHBondContact O-N 3.09Å; F409-L413 HydrophobicContact CD1-CD1 4.2Å; F409-L413 HydrophobicContact CD2-CD1 4.39Å; F409-L413 HydrophobicContact CD2-CG 4.08Å; F409-L413 HydrophobicContact CE1-CD1 3.93Å; F409-L413 HydrophobicContact CE2-CD1 4.12Å; F409-L413 HydrophobicContact CE2-CD2 3.78Å; F409-L413 HydrophobicContact CE2-CG 3.81Å; F409-L413 HydrophobicContact CG-CD1 4.43Å; F409-L413 HydrophobicContact CZ-CD1 3.87Å; F409-L413 HydrophobicContact CZ-CD2 3.95Å; F409-L413 HydrophobicContact CZ-CG 4.05Å; F409-L413 WeakPolarHBondContact O-CG 3.39Å; F409-L413 PolarHBondContact O-N 3.18Å; F409-Y436 HydrophobicContact CB-CD2 3.72Å; F409-Y436 HydrophobicContact CB-CE2 4.11Å; F409-Y436 HydrophobicContact CD1-CD2 4Å; F409-Y436 HydrophobicContact CD1-CG 4.4Å; F409-Y436 AromaticContact CD2-CD2 3.76Å; F409-Y436 HydrophobicContact CD2-CD2 3.76Å; F409-Y436 HydrophobicContact CE2-CD2 4.37Å; F409-Y436 AromaticContact CG-CD2 3.56Å; F409-Y436 HydrophobicContact CG-CD2 3.56Å; F409-Y436 HydrophobicContact CG-CE2 4.37Å; F409-Y436 HydrophobicContact CG-CG 4.39Å; F409-H439 HydrophobicContact CE2-CB 4.21Å; F409-H439 AromaticContact CE2-CG 3.85Å; F409-H439 AromaticContact CE2-ND1 3.68Å; F409-H439 AromaticContact CZ-CE1 3.68Å; F409-H439 AromaticContact CZ-ND1 3.39Å; F409-H439 WeakPolarHBondContact CZ-ND1 3.09Å; F409-F471 HydrophobicContact CB-CE2 4.34Å; F409-F471 HydrophobicContact CD1-CD2 4.32Å; F409-F471 AromaticContact CD1-CE2 3.95Å; F409-F471 HydrophobicContact CD1-CE2 3.95Å; F409-R472 WeakPolarHBondContact CD1-OXT 3.41Å; F409-R472 WeakPolarHBondContact CE1-OXT 3.36Å
410H98.2Very high97.7Very high75 Ų7528.6 Ų28.635%0.34717%0.169SC..Hα-helixtrans-52.6-45.4168.4-62.3158.6000111.6L406 E407 F412 L413 S414L406-H410 WeakPolarHBondContact CD1-NE2 3.25Å; L406-H410 PolarHBondContact O-N 2.86Å; E407-H410 IonicContact OE1-CE1 2.69Å; E407-H410 IonicContact OE1-ND1 2.69Å; E407-H410 IonicContact OE2-CE1 2.78Å; E407-H410 IonicContact OE2-CG 2.69Å; E407-H410 IonicContact OE2-ND1 3.37Å; E407-H410 PolarHBondContact OE2-ND1 2.63Å; H410-F412 VanDerWaalsContact C-N 3.31Å; H410-F412 PolarHBondContact O-N 2.8Å; H410-L413 PolarHBondContact O-N 2.75Å; H410-S414 PolarHBondContact O-N 2.77Å
411S98.3Very high97.7Very high34 Ų3431.1 Ų31.124%0.23819%0.191CC..Hα-helixtrans-59.1-41.8176.4-56.80000111.9I93 E407 F409 S414 L415I93-S411 VanDerWaalsContact CG2-O 3.29Å; I93-S411 WeakPolarHBondContact CG2-O 3.04Å; E407-S411 WeakPolarHBondContact O-CB 3.25Å; E407-S411 PolarHBondContact O-N 2.83Å; E407-S411 PolarHBondContact O-OG 3.27Å; F409-S411 VanDerWaalsContact C-N 3.26Å; F409-S411 PolarHBondContact O-N 2.83Å; S411-S414 PolarHBondContact O-N 3.33Å; S411-L415 PolarHBondContact O-N 3.22Å
412F98.7Very high97.5Very high0 Ų035.1 Ų35.10%022%0.219CC..Hα-helixtrans-68.9-41.4175.9171.3-96.1000112.6I93 L285 H288 Y289 L408 F409 H410 S414 L415 V416 L428 H439I93-F412 HydrophobicContact CD1-CB 4.4Å; L285-F412 HydrophobicContact CB-CD1 4.39Å; L285-F412 HydrophobicContact CB-CD2 3.79Å; L285-F412 HydrophobicContact CB-CE2 3.93Å; L285-F412 HydrophobicContact CB-CG 4.03Å; L285-F412 HydrophobicContact CB-CZ 4.3Å; L285-F412 HydrophobicContact CD1-CB 4.11Å; L285-F412 HydrophobicContact CD1-CD1 4.04Å; L285-F412 HydrophobicContact CD1-CG 3.97Å; L285-F412 HydrophobicContact CD2-CD1 4.05Å; L285-F412 HydrophobicContact CD2-CE1 3.9Å; L285-F412 HydrophobicContact CD2-CZ 4.24Å; L285-F412 HydrophobicContact CG-CD1 4.39Å; L285-F412 HydrophobicContact CG-CG 4.4Å; L285-F412 VanDerWaalsContact O-CE2 3.24Å; L285-F412 WeakPolarHBondContact O-CE2 3.23Å; H288-F412 AromaticContact CD2-CZ 3.61Å; Y289-F412 HydrophobicContact CD2-CE2 4.06Å; Y289-F412 AromaticContact CE2-CE2 3.93Å; Y289-F412 HydrophobicContact CE2-CE2 3.93Å; Y289-F412 HydrophobicContact CE2-CZ 4.39Å; L408-F412 PolarHBondContact O-N 3.07Å; F409-F412 HydrophobicContact CD2-CD1 4.09Å; F409-F412 HydrophobicContact CE2-CD1 4.12Å; F409-F412 CarbonylContact O-C 3.58Å; F409-F412 WeakPolarHBondContact O-CA 3.17Å; F409-F412 WeakPolarHBondContact O-CB 3Å; F409-F412 PolarHBondContact O-N 3.09Å; H410-F412 VanDerWaalsContact C-N 3.31Å; H410-F412 PolarHBondContact O-N 2.8Å; F412-S414 VanDerWaalsContact C-N 3.27Å; F412-S414 PolarHBondContact O-N 3.09Å; F412-L415 HydrophobicContact CD2-CD2 4.43Å; F412-L415 WeakPolarHBondContact O-CB 3.24Å; F412-L415 PolarHBondContact O-N 3.18Å; F412-L415 VanDerWaalsContact O-N 3.12Å; F412-V416 HydrophobicContact CD1-CG2 4.23Å; F412-V416 HydrophobicContact CE1-CG2 3.7Å; F412-V416 HydrophobicContact CE2-CG2 4.25Å; F412-V416 HydrophobicContact CZ-CG2 3.71Å; F412-V416 WeakPolarHBondContact O-CG2 3.47Å; F412-V416 PolarHBondContact O-N 3.38Å; F412-L428 HydrophobicContact CE1-CD2 4.5Å; F412-L428 HydrophobicContact CZ-CD1 4.1Å; F412-L428 HydrophobicContact CZ-CD2 4.1Å; F412-H439 AromaticContact CE1-CD2 3.88Å
413L98.3Very high97.4Very high53 Ų5336 Ų3628%0.27723%0.229SC..Hα-helixtrans-63.8-33.9175.7-68174.9000111.7F409 H410 V416 A417F409-L413 HydrophobicContact CD1-CD1 4.2Å; F409-L413 HydrophobicContact CD2-CD1 4.39Å; F409-L413 HydrophobicContact CD2-CG 4.08Å; F409-L413 HydrophobicContact CE1-CD1 3.93Å; F409-L413 HydrophobicContact CE2-CD1 4.12Å; F409-L413 HydrophobicContact CE2-CD2 3.78Å; F409-L413 HydrophobicContact CE2-CG 3.81Å; F409-L413 HydrophobicContact CG-CD1 4.43Å; F409-L413 HydrophobicContact CZ-CD1 3.87Å; F409-L413 HydrophobicContact CZ-CD2 3.95Å; F409-L413 HydrophobicContact CZ-CG 4.05Å; F409-L413 WeakPolarHBondContact O-CG 3.39Å; F409-L413 PolarHBondContact O-N 3.18Å; H410-L413 PolarHBondContact O-N 2.75Å; L413-V416 PolarHBondContact O-N 3.12Å; L413-A417 WeakPolarHBondContact O-CB 3.5Å; L413-A417 PolarHBondContact O-N 3.44Å
414S98.2Very high97.3Very high54 Ų5437 Ų3738%0.37824%0.235SC..Hα-helixtrans-63.9-40.1171.2-170.80000112.5H97 H410 S411 F412 A417 A418H97-S414 WeakPolarHBondContact NE2-CB 3.38Å; H97-S414 PolarHBondContact NE2-O 2.96Å; H97-S414 VanDerWaalsContact NE2-O 3.08Å; H97-S414 PolarHBondContact NE2-OG 3.26Å; H410-S414 PolarHBondContact O-N 2.77Å; S411-S414 PolarHBondContact O-N 3.33Å; F412-S414 VanDerWaalsContact C-N 3.27Å; F412-S414 PolarHBondContact O-N 3.09Å; S414-A417 PolarHBondContact O-N 2.68Å; S414-A418 VanDerWaalsContact O-CB 3.25Å; S414-A418 WeakPolarHBondContact O-CB 3.49Å; S414-A418 PolarHBondContact O-N 2.93Å
415L98.4Very high97.2Very high0 Ų037.1 Ų37.10%024%0.235CC..Hα-helixtrans-62.4-40171.416465.8000111.8I93 L96 H97 V100 Y289 S411 F412 A418 T419I93-L415 HydrophobicContact CG2-CB 4.26Å; I93-L415 HydrophobicContact CG2-CD2 4.48Å; L96-L415 HydrophobicContact CB-CD1 3.83Å; L96-L415 HydrophobicContact CB-CD2 3.97Å; L96-L415 HydrophobicContact CD1-CD2 4.17Å; H97-L415 HydrophobicContact CB-CD1 4.32Å; V100-L415 HydrophobicContact CG1-CD1 4.19Å; V100-L415 HydrophobicContact CG2-CD1 3.81Å; Y289-L415 HydrophobicContact CD2-CD2 3.9Å; Y289-L415 HydrophobicContact CD2-CG 4.4Å; Y289-L415 HydrophobicContact CE1-CD1 4.35Å; Y289-L415 HydrophobicContact CE1-CG 4.44Å; Y289-L415 HydrophobicContact CE2-CD2 3.93Å; Y289-L415 HydrophobicContact CE2-CG 3.95Å; Y289-L415 HydrophobicContact CG-CD2 4.35Å; S411-L415 PolarHBondContact O-N 3.22Å; F412-L415 HydrophobicContact CD2-CD2 4.43Å; F412-L415 WeakPolarHBondContact O-CB 3.24Å; F412-L415 PolarHBondContact O-N 3.18Å; F412-L415 VanDerWaalsContact O-N 3.12Å; L415-A418 PolarHBondContact O-N 2.95Å; L415-T419 PolarHBondContact O-N 3.41Å; L415-T419 PolarHBondContact O-OG1 2.99Å
416V97.7Very high97Very high28 Ų2839.5 Ų39.517%0.1725%0.249CC..Hα-helixtrans-64-48.3175.2178.10000111.2Y289 F412 L413 A418 T419 L424 L428Y289-V416 HydrophobicContact CE2-CG2 4.21Å; Y289-V416 WeakPolarHBondContact OH-CA 3.25Å; F412-V416 HydrophobicContact CD1-CG2 4.23Å; F412-V416 HydrophobicContact CE1-CG2 3.7Å; F412-V416 HydrophobicContact CE2-CG2 4.25Å; F412-V416 HydrophobicContact CZ-CG2 3.71Å; F412-V416 WeakPolarHBondContact O-CG2 3.47Å; F412-V416 PolarHBondContact O-N 3.38Å; L413-V416 PolarHBondContact O-N 3.12Å; V416-A418 VanDerWaalsContact C-N 3.27Å; V416-A418 PolarHBondContact O-N 2.65Å; V416-T419 PolarHBondContact O-N 3.39Å; V416-T419 VanDerWaalsContact O-N 3.14Å; V416-L424 HydrophobicContact CG1-CD2 4.02Å; V416-L428 HydrophobicContact CG2-CD1 3.96Å
417A97.3Very high96.8Very high90 Ų9040.3 Ų40.374%0.74426%0.256SS*.Hα-helixtrans-66.1-26.2178.500000113.8L413 S414L413-A417 WeakPolarHBondContact O-CB 3.5Å; L413-A417 PolarHBondContact O-N 3.44Å; S414-A417 PolarHBondContact O-N 2.68Å
418A97.7Very high96.7Very high27 Ų2739.9 Ų39.922%0.22325%0.254CS..THydrogen-bonded Turntrans-87.7-3175.300000114H97 V100 S414 L415 V416H97-A418 WeakPolarHBondContact CE1-CB 3.44Å; V100-A418 HydrophobicContact CG2-CB 4.37Å; V100-A418 WeakPolarHBondContact CG2-O 3.4Å; S414-A418 VanDerWaalsContact O-CB 3.25Å; S414-A418 WeakPolarHBondContact O-CB 3.49Å; S414-A418 PolarHBondContact O-N 2.93Å; L415-A418 PolarHBondContact O-N 2.95Å; V416-A418 VanDerWaalsContact C-N 3.27Å; V416-A418 PolarHBondContact O-N 2.65Å
419T97.5Very high96.3Very high8 Ų844.3 Ų44.35%0.04927%0.27CS..SBendtrans-92.3128.4174.9-55.30000109.7V100 Y289 L415 V416 A423 L424V100-T419 HydrophobicContact CB-CG2 4.49Å; V100-T419 HydrophobicContact CG1-CG2 4.32Å; Y289-T419 HydrophobicContact CE1-CG2 4.09Å; Y289-T419 WeakPolarHBondContact CE1-OG1 3.46Å; Y289-T419 PolarHBondContact OH-OG1 3.28Å; L415-T419 PolarHBondContact O-N 3.41Å; L415-T419 PolarHBondContact O-OG1 2.99Å; V416-T419 PolarHBondContact O-N 3.39Å; V416-T419 VanDerWaalsContact O-N 3.14Å; T419-A423 HydrophobicContact CG2-CB 4.28Å; T419-L424 HydrophobicContact CG2-CD2 3.8Å; T419-L424 HydrophobicContact CG2-CG 4.08Å
420D95.4Very high95Very high91 Ų9147.8 Ų47.849%0.48729%0.294SS..  trans-55.7137176178.6-88.9000112S422 A423 L424D420-S422 PolarHBondContact O-N 3.25Å; D420-S422 VanDerWaalsContact O-N 3.14Å; D420-S422 WeakPolarHBondContact OD1-CA 3.45Å; D420-S422 WeakPolarHBondContact OD1-CB 3.14Å; D420-S422 PolarHBondContact OD1-N 3Å; D420-S422 PolarHBondContact OD1-OG 2.99Å; D420-A423 HydrophobicContact CB-CB 4.19Å; D420-A423 CarbonylContact O-C 3.6Å; D420-A423 WeakPolarHBondContact O-CA 3.32Å; D420-A423 PolarHBondContact O-N 3.24Å; D420-L424 PolarHBondContact O-N 2.86Å
421P94Very high93.7Very high93 Ų9347.1 Ų47.160%0.60431%0.308SS*.THydrogen-bonded Turntrans-57-30-178-28.136.1000115.2A423 R429P421-A423 VanDerWaalsContact C-N 3.34Å; P421-R429 PolarHBondContact O-NE 3.24Å; P421-R429 PolarHBondContact O-NH2 3.4Å
422S93.8Very high93Very high84 Ų8453.1 Ų53.159%0.58733%0.332SS*.THydrogen-bonded Turntrans-72.4-28.1174.578.70000112.5D420 R429D420-S422 PolarHBondContact O-N 3.25Å; D420-S422 VanDerWaalsContact O-N 3.14Å; D420-S422 WeakPolarHBondContact OD1-CA 3.45Å; D420-S422 WeakPolarHBondContact OD1-CB 3.14Å; D420-S422 PolarHBondContact OD1-N 3Å; D420-S422 PolarHBondContact OD1-OG 2.99Å; S422-R429 VanDerWaalsContact CA-NH2 3.32Å; S422-R429 PolarHBondContact O-NH2 2.94Å
423A94.8Very high92.8Very high41 Ų4155 Ų5534%0.33934%0.342SS..THydrogen-bonded Turntrans-94.7-7.4179.900000114.5G115 T419 D420 P421G115-A423 WeakPolarHBondContact CA-O 3.38Å; T419-A423 HydrophobicContact CG2-CB 4.28Å; D420-A423 HydrophobicContact CB-CB 4.19Å; D420-A423 CarbonylContact O-C 3.6Å; D420-A423 WeakPolarHBondContact O-CA 3.32Å; D420-A423 PolarHBondContact O-N 3.24Å; P421-A423 VanDerWaalsContact C-N 3.34Å
424L95.9Very high92.6Very high24 Ų2456.4 Ų56.413%0.12635%0.347CS..SBendtrans-58.8136.4177-83.4173.1000112.5V416 T419 D420 R429V416-L424 HydrophobicContact CG1-CD2 4.02Å; T419-L424 HydrophobicContact CG2-CD2 3.8Å; T419-L424 HydrophobicContact CG2-CG 4.08Å; D420-L424 PolarHBondContact O-N 2.86Å; L424-R429 HydrophobicContact CB-CG 3.95Å; L424-R429 WeakPolarHBondContact O-CD 3.44Å; L424-R429 PolarHBondContact O-NE 2.78Å
425P96.1Very high92.6Very high1 Ų154.4 Ų54.41%0.00633%0.333CS..  trans-57.6137.5170.2-21.930.6000111.7H288 Y289 S427 L428H288-P425 WeakPolarHBondContact O-CB 3.49Å; H288-P425 WeakPolarHBondContact O-CG 3.4Å; Y289-P425 HydrophobicContact CD1-CG 4Å; Y289-P425 HydrophobicContact CE1-CG 4.02Å; Y289-P425 HydrophobicContact CG-CG 4.27Å; P425-S427 PolarHBondContact O-N 2.91Å; P425-L428 HydrophobicContact CG-CD1 4.3Å; P425-L428 PolarHBondContact O-N 2.73Å
426D93.8Very high92.6Very high73 Ų7355.7 Ų55.739%0.3934%0.338SS..G310 helixtrans-57.5-32.7-173.7-57.3-38.7000113.6R114 L428 R429 S430R114-D426 IonicContact CZ-OD1 2.61Å; R114-D426 IonicContact CZ-OD2 2.8Å; R114-D426 IonicContact NE-OD1 3.75Å; R114-D426 PolarHBondContact NE-OD1 2.98Å; R114-D426 IonicContact NE-OD2 2.78Å; R114-D426 VanDerWaalsContact NH2-CG 3.32Å; R114-D426 IonicContact NH2-OD1 3.48Å; R114-D426 PolarHBondContact NH2-OD1 3.45Å; R114-D426 IonicContact NH2-OD2 2.87Å; R114-D426 PolarHBondContact NH2-OD2 2.84Å; D426-L428 PolarHBondContact O-N 3.11Å; D426-L428 VanDerWaalsContact O-N 3.07Å; D426-R429 PolarHBondContact O-N 3.01Å; D426-R429 IonicContact OD1-CZ 3.72Å; D426-R429 IonicContact OD1-NH1 2.83Å; D426-R429 PolarHBondContact OD1-NH1 3.34Å; D426-S430 PolarHBondContact O-N 3.13Å
427S94.6Very high92.6Very high29 Ų2957.6 Ų57.620%0.20334%0.342CS..G310 helixtrans-63.4-7.2173.559.70000116H288 P425 A442H288-S427 PolarHBondContact ND1-OG 2.75Å; P425-S427 PolarHBondContact O-N 2.91Å; S427-A442 WeakPolarHBondContact CB-O 3.39Å; S427-A442 WeakPolarHBondContact O-CB 3.29Å
428L95.6Very high92.6Very high21 Ų2155 Ų5511%0.1132%0.315CS..G310 helixtrans-114.1-1175.3-66.9174000112.5H288 Y289 F412 V416 P425 D426 L433H288-L428 HydrophobicContact CB-CD1 3.71Å; H288-L428 HydrophobicContact CB-CD2 4.42Å; H288-L428 HydrophobicContact CB-CG 3.99Å; Y289-L428 HydrophobicContact CD2-CD1 4.4Å; Y289-L428 HydrophobicContact CE2-CD1 3.63Å; F412-L428 HydrophobicContact CE1-CD2 4.5Å; F412-L428 HydrophobicContact CZ-CD1 4.1Å; F412-L428 HydrophobicContact CZ-CD2 4.1Å; V416-L428 HydrophobicContact CG2-CD1 3.96Å; P425-L428 HydrophobicContact CG-CD1 4.3Å; P425-L428 PolarHBondContact O-N 2.73Å; D426-L428 PolarHBondContact O-N 3.11Å; D426-L428 VanDerWaalsContact O-N 3.07Å; L428-L433 HydrophobicContact CD2-CD1 3.84Å
429R89.3Confident92.6Very high104 Ų10454.4 Ų54.439%0.39231%0.308SS..THydrogen-bonded Turntrans-100.3-24.4175.2-67.5160.7143.3-170.7-2.1112.4R114 P421 S422 L424 D426 G431R114-R429 VanDerWaalsContact CD-NH1 3.29Å; R114-R429 VanDerWaalsContact NE-NH1 3.11Å; P421-R429 PolarHBondContact O-NE 3.24Å; P421-R429 PolarHBondContact O-NH2 3.4Å; S422-R429 VanDerWaalsContact CA-NH2 3.32Å; S422-R429 PolarHBondContact O-NH2 2.94Å; L424-R429 HydrophobicContact CB-CG 3.95Å; L424-R429 WeakPolarHBondContact O-CD 3.44Å; L424-R429 PolarHBondContact O-NE 2.78Å; D426-R429 PolarHBondContact O-N 3.01Å; D426-R429 IonicContact OD1-CZ 3.72Å; D426-R429 IonicContact OD1-NH1 2.83Å; D426-R429 PolarHBondContact OD1-NH1 3.34Å; R429-G431 PolarHBondContact O-N 3.03Å
430S71.8Confident92.6Very high73 Ų7356 Ų5651%0.5131%0.314SS..SBendtrans-8492.1-173.761.40000112.7D426D426-S430 PolarHBondContact O-N 3.13Å
431G69.8Low92.6Very high61 Ų6159.4 Ų59.463%0.62932%0.32SS*.SBendtrans84.4170171.300000114.9R429 L433R429-G431 PolarHBondContact O-N 3.03Å; G431-L433 PolarHBondContact O-N 3.45Å
432E84.4Confident92.8Very high160 Ų16055.7 Ų55.775%0.74830%0.297SS*.  trans-75.9111.2-176.6-55.8-174.5159.400112H434E432-H434 WeakPolarHBondContact CB-NE2 3.15Å; E432-H434 PolarHBondContact O-N 3.27Å; E432-H434 IonicContact OE2-CD2 3.39Å; E432-H434 IonicContact OE2-CE1 3.7Å; E432-H434 IonicContact OE2-NE2 3.72Å; E432-H434 PolarHBondContact OE2-NE2 2.7Å
433L95.2Very high92.9Very high39 Ų3951.8 Ų51.820%0.20427%0.27CS..  trans-95.194.4176.9-57.7179.4000109.8L428 G431 D438 H439 A442L428-L433 HydrophobicContact CD2-CD1 3.84Å; G431-L433 PolarHBondContact O-N 3.45Å; L433-D438 HydrophobicContact CD2-CB 4.3Å; L433-H439 VanDerWaalsContact CB-CE1 3.5Å; L433-H439 WeakPolarHBondContact CB-CE1 3.41Å; L433-H439 PolarHBondContact O-CE1 2.86Å; L433-A442 HydrophobicContact CD1-CB 4.13Å; L433-A442 HydrophobicContact CD2-CB 3.81Å
434H94.3Very high93Very high83 Ų8356 Ų5638%0.38428%0.283SS..  trans-86.5-33.8-172.9-74.6-77.3000115.1E432 R472E432-H434 WeakPolarHBondContact CB-NE2 3.15Å; E432-H434 PolarHBondContact O-N 3.27Å; E432-H434 IonicContact OE2-CD2 3.39Å; E432-H434 IonicContact OE2-CE1 3.7Å; E432-H434 IonicContact OE2-NE2 3.72Å; E432-H434 PolarHBondContact OE2-NE2 2.7Å; H434-R472 VanDerWaalsContact O-CG 3.3Å; H434-R472 WeakPolarHBondContact O-CG 3.48Å
435T97.3Very high93Very high13 Ų1356.3 Ų56.38%0.0829%0.287CS..SBendtrans-122166.9-172.7740000113.6W437 D438 H439 L470 F471 R472T435-W437 PolarHBondContact O-N 3.4Å; T435-W437 PolarHBondContact OG1-N 3.24Å; T435-D438 WeakPolarHBondContact CB-OD2 3.36Å; T435-D438 WeakPolarHBondContact CG2-OD2 3.19Å; T435-D438 PolarHBondContact N-OD2 3.18Å; T435-D438 PolarHBondContact O-N 2.76Å; T435-D438 VanDerWaalsContact O-N 3.12Å; T435-D438 PolarHBondContact OG1-N 3.16Å; T435-D438 PolarHBondContact OG1-OD2 3.33Å; T435-H439 PolarHBondContact O-N 2.86Å; T435-H439 PolarHBondContact O-ND1 2.78Å; T435-L470 VanDerWaalsContact CG2-O 3.3Å; T435-L470 WeakPolarHBondContact CG2-O 3.16Å; T435-F471 WeakPolarHBondContact CA-O 3.26Å; T435-F471 WeakPolarHBondContact CB-O 3.43Å; T435-R472 HydrophobicContact CG2-CG 4.41Å
436Y98.3Very high93.1Very high27 Ų2757.1 Ų57.111%0.10629%0.29CS..Hα-helixtrans-56.8-30.8169.6178.8-111.8000112.8L285 K405 F409 K440 L469 F471L285-Y436 HydrophobicContact CD1-CD2 4.13Å; L285-Y436 HydrophobicContact CD1-CE2 3.72Å; K405-Y436 HydrophobicContact CB-CE1 4.38Å; K405-Y436 HydrophobicContact CD-CE1 4.29Å; F409-Y436 HydrophobicContact CB-CD2 3.72Å; F409-Y436 HydrophobicContact CB-CE2 4.11Å; F409-Y436 HydrophobicContact CD1-CD2 4Å; F409-Y436 HydrophobicContact CD1-CG 4.4Å; F409-Y436 AromaticContact CD2-CD2 3.76Å; F409-Y436 HydrophobicContact CD2-CD2 3.76Å; F409-Y436 HydrophobicContact CE2-CD2 4.37Å; F409-Y436 AromaticContact CG-CD2 3.56Å; F409-Y436 HydrophobicContact CG-CD2 3.56Å; F409-Y436 HydrophobicContact CG-CE2 4.37Å; F409-Y436 HydrophobicContact CG-CG 4.39Å; Y436-K440 HydrophobicContact CD1-CD 3.87Å; Y436-K440 HydrophobicContact CD2-CD 4.19Å; Y436-K440 HydrophobicContact CE1-CD 3.51Å; Y436-K440 HydrophobicContact CE2-CD 3.87Å; Y436-K440 HydrophobicContact CG-CD 4.21Å; Y436-K440 WeakPolarHBondContact O-CB 3.46Å; Y436-K440 VanDerWaalsContact O-CD 3.32Å; Y436-K440 WeakPolarHBondContact O-CD 3.33Å; Y436-K440 WeakPolarHBondContact O-CG 3.48Å; Y436-K440 PolarHBondContact O-N 3.32Å; Y436-L469 HydrophobicContact CD1-CB 4.33Å; Y436-L469 HydrophobicContact CD1-CD2 3.75Å; Y436-L469 HydrophobicContact CE1-CD2 3.58Å; Y436-F471 VanDerWaalsContact CB-CE2 3.5Å; Y436-F471 VanDerWaalsContact CB-CZ 3.49Å; Y436-F471 AromaticContact CD1-CE1 3.6Å; Y436-F471 HydrophobicContact CD1-CE1 3.6Å; Y436-F471 HydrophobicContact CD1-CE2 4.17Å; Y436-F471 AromaticContact CD1-CZ 3.28Å; Y436-F471 HydrophobicContact CD1-CZ 3.28Å; Y436-F471 HydrophobicContact CD2-CE2 4.1Å; Y436-F471 AromaticContact CD2-CZ 3.88Å; Y436-F471 HydrophobicContact CD2-CZ 3.88Å; Y436-F471 HydrophobicContact CE1-CE1 4.27Å; Y436-F471 AromaticContact CE1-CZ 3.87Å; Y436-F471 HydrophobicContact CE1-CZ 3.87Å; Y436-F471 HydrophobicContact CE2-CZ 4.38Å; Y436-F471 AromaticContact CG-CE1 3.96Å; Y436-F471 HydrophobicContact CG-CE1 3.96Å; Y436-F471 AromaticContact CG-CE2 3.7Å; Y436-F471 HydrophobicContact CG-CE2 3.7Å; Y436-F471 AromaticContact CG-CZ 3.28Å; Y436-F471 HydrophobicContact CG-CZ 3.28Å; Y436-F471 PolarHBondContact N-O 3.09Å
437W97.3Very high93.3Very high68 Ų6856 Ų5626%0.25828%0.283SS..Hα-helixtrans-68.7-45.9173.4171.8-101000111.9T435 K440 R441 L469 L470T435-W437 PolarHBondContact O-N 3.4Å; T435-W437 PolarHBondContact OG1-N 3.24Å; W437-K440 PolarHBondContact O-N 2.56Å; W437-R441 WeakPolarHBondContact O-CB 3.37Å; W437-R441 PolarHBondContact O-N 2.83Å; W437-L469 HydrophobicContact CB-CB 4.06Å; W437-L469 VanDerWaalsContact CB-O 3.31Å; W437-L469 WeakPolarHBondContact CB-O 3.5Å; W437-L469 HydrophobicContact CE3-CB 4.35Å; W437-L469 HydrophobicContact CE3-CD1 3.7Å; W437-L469 HydrophobicContact CZ3-CD1 4.03Å; W437-L469 PolarHBondContact N-O 3.05Å; W437-L470 HydrophobicContact CB-CD2 4.17Å; W437-L470 HydrophobicContact CG-CD2 4.49Å
438D97Very high93.5Very high35 Ų3559.3 Ų59.319%0.18730%0.295CS..Hα-helixtrans-68-45.6-171.8-54.8-47.9000111.4L433 T435 K440 R441 A442L433-D438 HydrophobicContact CD2-CB 4.3Å; T435-D438 WeakPolarHBondContact CB-OD2 3.36Å; T435-D438 WeakPolarHBondContact CG2-OD2 3.19Å; T435-D438 PolarHBondContact N-OD2 3.18Å; T435-D438 PolarHBondContact O-N 2.76Å; T435-D438 VanDerWaalsContact O-N 3.12Å; T435-D438 PolarHBondContact OG1-N 3.16Å; T435-D438 PolarHBondContact OG1-OD2 3.33Å; D438-K440 PolarHBondContact O-N 3.13Å; D438-R441 WeakPolarHBondContact O-CB 3.12Å; D438-R441 PolarHBondContact O-N 2.9Å; D438-R441 VanDerWaalsContact O-N 3.14Å; D438-A442 WeakPolarHBondContact O-CB 3.2Å; D438-A442 PolarHBondContact O-N 2.97Å
439H97.9Very high93.7Very high14 Ų1458.3 Ų58.37%0.06529%0.29CS..Hα-helixtrans-53.6-53.6170.4-7186.8000111.1L285 H288 F409 F412 L433 T435 R441 A442 S443L285-H439 HydrophobicContact CD2-CB 3.65Å; H288-H439 PolarHBondContact CE1-O 3.14Å; H288-H439 VanDerWaalsContact CE1-O 3.26Å; H288-H439 PolarHBondContact NE2-O 2.97Å; F409-H439 HydrophobicContact CE2-CB 4.21Å; F409-H439 AromaticContact CE2-CG 3.85Å; F409-H439 AromaticContact CE2-ND1 3.68Å; F409-H439 AromaticContact CZ-CE1 3.68Å; F409-H439 AromaticContact CZ-ND1 3.39Å; F409-H439 WeakPolarHBondContact CZ-ND1 3.09Å; F412-H439 AromaticContact CE1-CD2 3.88Å; L433-H439 VanDerWaalsContact CB-CE1 3.5Å; L433-H439 WeakPolarHBondContact CB-CE1 3.41Å; L433-H439 PolarHBondContact O-CE1 2.86Å; T435-H439 PolarHBondContact O-N 2.86Å; T435-H439 PolarHBondContact O-ND1 2.78Å; H439-R441 PolarHBondContact O-N 2.83Å; H439-A442 PolarHBondContact O-N 3.12Å; H439-A442 VanDerWaalsContact O-N 3.07Å; H439-S443 PolarHBondContact O-N 3.34Å
440K97.7Very high94.1Very high43 Ų4354.9 Ų54.919%0.18728%0.277CS..Hα-helixtrans-58.4-36.2179-73.217456.6-176.30112.8A284 L285 Y436 W437 D438 Q447A284-K440 HydrophobicContact CB-CB 4.05Å; A284-K440 HydrophobicContact CB-CG 4.03Å; L285-K440 HydrophobicContact CD2-CG 3.71Å; L285-K440 HydrophobicContact CG-CG 3.96Å; Y436-K440 HydrophobicContact CD1-CD 3.87Å; Y436-K440 HydrophobicContact CD2-CD 4.19Å; Y436-K440 HydrophobicContact CE1-CD 3.51Å; Y436-K440 HydrophobicContact CE2-CD 3.87Å; Y436-K440 HydrophobicContact CG-CD 4.21Å; Y436-K440 WeakPolarHBondContact O-CB 3.46Å; Y436-K440 VanDerWaalsContact O-CD 3.32Å; Y436-K440 WeakPolarHBondContact O-CD 3.33Å; Y436-K440 WeakPolarHBondContact O-CG 3.48Å; Y436-K440 PolarHBondContact O-N 3.32Å; W437-K440 PolarHBondContact O-N 2.56Å; D438-K440 PolarHBondContact O-N 3.13Å; K440-Q447 PolarHBondContact O-NE2 2.76Å
441R96.3Very high95.3Very high161 Ų16157.1 Ų57.161%0.60828%0.279SS*.Hα-helixtrans-69.8-38.1177-178-176175.4-149.9-1.4112W437 D438 H439 S443W437-R441 WeakPolarHBondContact O-CB 3.37Å; W437-R441 PolarHBondContact O-N 2.83Å; D438-R441 WeakPolarHBondContact O-CB 3.12Å; D438-R441 PolarHBondContact O-N 2.9Å; D438-R441 VanDerWaalsContact O-N 3.14Å; H439-R441 PolarHBondContact O-N 2.83Å; R441-S443 PolarHBondContact O-N 3.09Å
442A97.3Very high96.7Very high15 Ų1556 Ų5612%0.12426%0.257CS..Hα-helixtrans-66.3-17.3178.700000113.5S427 L433 D438 H439 Q444S427-A442 WeakPolarHBondContact CB-O 3.39Å; S427-A442 WeakPolarHBondContact O-CB 3.29Å; L433-A442 HydrophobicContact CD1-CB 4.13Å; L433-A442 HydrophobicContact CD2-CB 3.81Å; D438-A442 WeakPolarHBondContact O-CB 3.2Å; D438-A442 PolarHBondContact O-N 2.97Å; H439-A442 PolarHBondContact O-N 3.12Å; H439-A442 VanDerWaalsContact O-N 3.07Å; A442-Q444 PolarHBondContact O-N 3.46Å
443S96.8Very high97.3Very high2 Ų248.3 Ų48.31%0.01422%0.222CC..  trans-73.767.7169.7-161.10000111.6A284 S287 H288 H439 R441 S445 Y446 Q447A284-S443 VanDerWaalsContact O-CB 3.25Å; A284-S443 WeakPolarHBondContact O-CB 3.36Å; A284-S443 PolarHBondContact O-OG 2.8Å; S287-S443 WeakPolarHBondContact CB-OG 3.37Å; H288-S443 PolarHBondContact CE1-N 3.01Å; H288-S443 VanDerWaalsContact CE1-N 3.31Å; H439-S443 PolarHBondContact O-N 3.34Å; R441-S443 PolarHBondContact O-N 3.09Å; S443-S445 PolarHBondContact O-N 2.82Å; S443-Y446 WeakPolarHBondContact O-CB 3.34Å; S443-Y446 PolarHBondContact O-N 3.21Å; S443-Q447 PolarHBondContact O-N 3.44Å; S443-Q447 VanDerWaalsContact O-N 3.14Å
444Q96.1Very high97.4Very high130 Ų13048.7 Ų48.761%0.60722%0.22SC*.Hα-helixtrans-57.1-46.9-164.8-63.9-17714.300114A442 Y446 Q447 Q448A442-Q444 PolarHBondContact O-N 3.46Å; Q444-Y446 VanDerWaalsContact C-N 3.32Å; Q444-Y446 PolarHBondContact O-N 3.12Å; Q444-Q447 CarbonylContact O-C 3.55Å; Q444-Q447 WeakPolarHBondContact O-CA 3.47Å; Q444-Q447 PolarHBondContact O-N 3.42Å; Q444-Q448 WeakPolarHBondContact O-CG 3.34Å; Q444-Q448 PolarHBondContact O-N 3.26Å
445S96.8Very high97.5Very high31 Ų3150.3 Ų50.322%0.21723%0.231CC..Hα-helixtrans-63.1-37179.953.60000112.5P326 S443 Q447 Q448 A449P326-S445 VanDerWaalsContact CG-O 3.27Å; P326-S445 WeakPolarHBondContact CG-O 3.3Å; S443-S445 PolarHBondContact O-N 2.82Å; S445-Q447 VanDerWaalsContact C-N 3.32Å; S445-Q447 PolarHBondContact O-N 3.49Å; S445-Q448 PolarHBondContact O-N 3.49Å; S445-A449 WeakPolarHBondContact O-CB 3.29Å; S445-A449 PolarHBondContact O-N 3.28Å
446Y98.6Very high97.5Very high17 Ų1753.1 Ų53.17%0.06724%0.243CC..Hα-helixtrans-64.4-37172.2-176.5-84000112L279 G283 A284 S287 F329 S443 Q444 W450L279-Y446 HydrophobicContact CB-CD2 4.46Å; L279-Y446 HydrophobicContact CB-CE2 3.71Å; L279-Y446 HydrophobicContact CD1-CE1 4.23Å; L279-Y446 HydrophobicContact CD1-CE2 4.11Å; L279-Y446 WeakPolarHBondContact CD1-OH 3.07Å; G283-Y446 VanDerWaalsContact CA-CE2 3.48Å; A284-Y446 HydrophobicContact CB-CD1 3.5Å; A284-Y446 VanDerWaalsContact CB-CD1 3.5Å; A284-Y446 HydrophobicContact CB-CE1 3.78Å; A284-Y446 HydrophobicContact CB-CG 3.95Å; S287-Y446 WeakPolarHBondContact OG-CD2 3.24Å; F329-Y446 AromaticContact CE1-CD2 3.92Å; F329-Y446 HydrophobicContact CE1-CD2 3.92Å; F329-Y446 HydrophobicContact CZ-CD2 4.04Å; F329-Y446 HydrophobicContact CZ-CG 4.46Å; S443-Y446 WeakPolarHBondContact O-CB 3.34Å; S443-Y446 PolarHBondContact O-N 3.21Å; Q444-Y446 VanDerWaalsContact C-N 3.32Å; Q444-Y446 PolarHBondContact O-N 3.12Å; Y446-W450 WeakPolarHBondContact O-CB 3.32Å; Y446-W450 PolarHBondContact O-N 3.06Å
447Q98.1Very high97.4Very high50 Ų5053.2 Ų53.223%0.23425%0.25CS..Hα-helixtrans-71.9-36.3176.3-59-52.2-32.500112.5K440 S443 Q444 S445 W450 Q451K440-Q447 PolarHBondContact O-NE2 2.76Å; S443-Q447 PolarHBondContact O-N 3.44Å; S443-Q447 VanDerWaalsContact O-N 3.14Å; Q444-Q447 CarbonylContact O-C 3.55Å; Q444-Q447 WeakPolarHBondContact O-CA 3.47Å; Q444-Q447 PolarHBondContact O-N 3.42Å; S445-Q447 VanDerWaalsContact C-N 3.32Å; S445-Q447 PolarHBondContact O-N 3.49Å; Q447-W450 CarbonylContact O-C 3.53Å; Q447-W450 PolarHBondContact O-N 2.92Å; Q447-Q451 WeakPolarHBondContact O-CB 3.47Å; Q447-Q451 PolarHBondContact O-N 2.94Å
448Q98.4Very high97.4Very high99 Ų9950.2 Ų50.246%0.46324%0.239SC..Hα-helixtrans-65-49.2173.5-72.7165.7-28.200111.6P326 Q444 S445 W450 Q451 Q452P326-Q448 HydrophobicContact CG-CB 3.99Å; Q444-Q448 WeakPolarHBondContact O-CG 3.34Å; Q444-Q448 PolarHBondContact O-N 3.26Å; S445-Q448 PolarHBondContact O-N 3.49Å; Q448-W450 PolarHBondContact O-N 3.36Å; Q448-Q451 WeakPolarHBondContact O-CB 3.19Å; Q448-Q451 PolarHBondContact O-N 3.03Å; Q448-Q451 VanDerWaalsContact O-N 3.1Å; Q448-Q452 PolarHBondContact O-N 2.99Å
449A98.6Very high97.3Very high0 Ų052.3 Ų52.30%025%0.254CS..Hα-helixtrans-57.9-38.7172.800000111.8L279 L325 P326 F329 S445 L453L279-A449 VanDerWaalsContact CD2-C 3.47Å; L279-A449 HydrophobicContact CD2-CB 3.81Å; L279-A449 WeakPolarHBondContact CD2-O 3.45Å; L325-A449 HydrophobicContact CD2-CB 4.12Å; P326-A449 HydrophobicContact CG-CB 3.99Å; F329-A449 HydrophobicContact CB-CB 4.12Å; F329-A449 HydrophobicContact CD1-CB 3.65Å; F329-A449 HydrophobicContact CD2-CB 4.2Å; F329-A449 HydrophobicContact CE1-CB 4.07Å; F329-A449 HydrophobicContact CG-CB 3.73Å; S445-A449 WeakPolarHBondContact O-CB 3.29Å; S445-A449 PolarHBondContact O-N 3.28Å; A449-L453 WeakPolarHBondContact O-CB 3.28Å; A449-L453 PolarHBondContact O-N 2.85Å
450W98.1Very high97.2Very high31 Ų3155.2 Ų55.212%0.11727%0.27CS..Hα-helixtrans-69.7-34.8175.8-179.3-137.9000113.1R275 L279 Y446 Q447 Q448 L453 R454 W461R275-W450 HydrophobicContact CG-CZ3 4.33Å; R275-W450 VanDerWaalsContact CZ-CE2 3.49Å; L279-W450 HydrophobicContact CD1-CB 3.97Å; L279-W450 HydrophobicContact CD1-CD2 4.03Å; L279-W450 HydrophobicContact CD1-CE3 3.67Å; L279-W450 HydrophobicContact CD1-CG 4.17Å; L279-W450 HydrophobicContact CD2-CB 4.22Å; Y446-W450 WeakPolarHBondContact O-CB 3.32Å; Y446-W450 PolarHBondContact O-N 3.06Å; Q447-W450 CarbonylContact O-C 3.53Å; Q447-W450 PolarHBondContact O-N 2.92Å; Q448-W450 PolarHBondContact O-N 3.36Å; W450-L453 HydrophobicContact CE3-CB 4.2Å; W450-L453 HydrophobicContact CE3-CD2 3.84Å; W450-L453 HydrophobicContact CE3-CG 4.22Å; W450-L453 HydrophobicContact CZ3-CB 4.46Å; W450-L453 HydrophobicContact CZ3-CD2 3.71Å; W450-L453 HydrophobicContact CZ3-CG 4.03Å; W450-R454 HydrophobicContact CD2-CG 3.89Å; W450-R454 HydrophobicContact CE3-CG 3.79Å; W450-R454 HydrophobicContact CH2-CG 3.41Å; W450-R454 VanDerWaalsContact CH2-CG 3.41Å; W450-R454 VanDerWaalsContact CZ2-CD 3.49Å; W450-R454 HydrophobicContact CZ2-CG 3.51Å; W450-R454 HydrophobicContact CZ3-CG 3.57Å; W450-R454 WeakPolarHBondContact O-CB 3.21Å; W450-R454 VanDerWaalsContact O-CG 3.26Å; W450-R454 WeakPolarHBondContact O-CG 3.42Å; W450-R454 PolarHBondContact O-N 3.28Å; W450-R454 VanDerWaalsContact O-N 3.11Å; W450-W461 HydrophobicContact CH2-CB 3.82Å; W450-W461 AromaticContact CH2-CD1 3.73Å; W450-W461 AromaticContact CH2-CD2 3.46Å; W450-W461 HydrophobicContact CH2-CD2 3.46Å; W450-W461 VanDerWaalsContact CH2-CD2 3.46Å; W450-W461 AromaticContact CH2-CE2 3.86Å; W450-W461 AromaticContact CH2-CE3 3.95Å; W450-W461 HydrophobicContact CH2-CE3 3.95Å; W450-W461 AromaticContact CH2-CG 3.39Å; W450-W461 HydrophobicContact CH2-CG 3.39Å; W450-W461 HydrophobicContact CZ2-CB 4.27Å; W450-W461 AromaticContact CZ2-CD1 3.63Å; W450-W461 HydrophobicContact CZ2-CD2 4.14Å; W450-W461 AromaticContact CZ2-CG 3.76Å; W450-W461 HydrophobicContact CZ2-CG 3.76Å; W450-W461 AromaticContact CZ2-NE1 3.94Å; W450-W461 HydrophobicContact CZ3-CD2 4.42Å
451Q98.1Very high97Very high120 Ų12054.6 Ų54.656%0.56127%0.266SS*.Hα-helixtrans-63.1-48.2173177172.3-18.100110.9Q447 Q448 R454 L455Q447-Q451 WeakPolarHBondContact O-CB 3.47Å; Q447-Q451 PolarHBondContact O-N 2.94Å; Q448-Q451 WeakPolarHBondContact O-CB 3.19Å; Q448-Q451 PolarHBondContact O-N 3.03Å; Q448-Q451 VanDerWaalsContact O-N 3.1Å; Q451-R454 WeakPolarHBondContact O-CB 3.5Å; Q451-R454 PolarHBondContact O-N 3.18Å; Q451-L455 HydrophobicContact CG-CD1 3.83Å; Q451-L455 HydrophobicContact CG-CG 4.45Å; Q451-L455 WeakPolarHBondContact O-CG 3.46Å; Q451-L455 PolarHBondContact O-N 2.95Å
452Q98.3Very high96.7Very high37 Ų3749 Ų4917%0.17325%0.251CS..Hα-helixtrans-62.8-50179.3-67.2-67.621.500112.5E324 L325 Q448 R454 L455 Q456E324-Q452 HydrophobicContact CB-CG 4.39Å; E324-Q452 PolarHBondContact OE2-NE2 3.36Å; L325-Q452 HydrophobicContact CD2-CB 4.26Å; Q448-Q452 PolarHBondContact O-N 2.99Å; Q452-R454 PolarHBondContact O-N 2.98Å; Q452-L455 PolarHBondContact O-N 2.72Å; Q452-L455 VanDerWaalsContact O-N 3.13Å; Q452-Q456 WeakPolarHBondContact O-CB 3.38Å; Q452-Q456 WeakPolarHBondContact O-CG 3.29Å; Q452-Q456 PolarHBondContact O-N 2.68Å
453L98Very high96.1Very high0 Ų058.4 Ų58.40%028%0.283CS..Hα-helixtrans-55.1-37.6175.4175.762.7000112.4R275 V278 L279 V322 A449 W450 A457 F458R275-L453 HydrophobicContact CB-CD2 4.14Å; R275-L453 HydrophobicContact CG-CD2 3.81Å; V278-L453 HydrophobicContact CB-CD1 4.18Å; V278-L453 HydrophobicContact CB-CD2 4.13Å; V278-L453 HydrophobicContact CG1-CB 4.3Å; V278-L453 HydrophobicContact CG1-CD1 4.33Å; V278-L453 HydrophobicContact CG1-CD2 4.47Å; V278-L453 HydrophobicContact CG2-CD1 4.01Å; L279-L453 HydrophobicContact CD1-CD2 4.36Å; L279-L453 HydrophobicContact CD2-CB 4.36Å; L279-L453 HydrophobicContact CD2-CD2 4.07Å; L279-L453 HydrophobicContact CG-CD2 3.92Å; V322-L453 HydrophobicContact CG2-CD1 3.97Å; A449-L453 WeakPolarHBondContact O-CB 3.28Å; A449-L453 PolarHBondContact O-N 2.85Å; W450-L453 HydrophobicContact CE3-CB 4.2Å; W450-L453 HydrophobicContact CE3-CD2 3.84Å; W450-L453 HydrophobicContact CE3-CG 4.22Å; W450-L453 HydrophobicContact CZ3-CB 4.46Å; W450-L453 HydrophobicContact CZ3-CD2 3.71Å; W450-L453 HydrophobicContact CZ3-CG 4.03Å; L453-A457 HydrophobicContact CD1-CB 4.15Å; L453-A457 PolarHBondContact O-N 3.37Å; L453-A457 VanDerWaalsContact O-N 3.13Å; L453-F458 HydrophobicContact CD1-CD2 3.77Å; L453-F458 HydrophobicContact CD1-CE2 3.95Å; L453-F458 HydrophobicContact CD2-CD2 4.05Å; L453-F458 HydrophobicContact CD2-CE2 4.34Å; L453-F458 HydrophobicContact CG-CD2 3.83Å; L453-F458 HydrophobicContact CG-CE2 4.37Å; L453-F458 PolarHBondContact O-N 2.9Å
454R96.4Very high95.5Very high46 Ų4661.5 Ų61.517%0.17431%0.305CS..Hα-helixtrans-69.1-48175.7-78.9-169.173.8150.715.3112.9W450 Q451 Q452 Q456 F458 P459 W461W450-R454 HydrophobicContact CD2-CG 3.89Å; W450-R454 HydrophobicContact CE3-CG 3.79Å; W450-R454 HydrophobicContact CH2-CG 3.41Å; W450-R454 VanDerWaalsContact CH2-CG 3.41Å; W450-R454 VanDerWaalsContact CZ2-CD 3.49Å; W450-R454 HydrophobicContact CZ2-CG 3.51Å; W450-R454 HydrophobicContact CZ3-CG 3.57Å; W450-R454 WeakPolarHBondContact O-CB 3.21Å; W450-R454 VanDerWaalsContact O-CG 3.26Å; W450-R454 WeakPolarHBondContact O-CG 3.42Å; W450-R454 PolarHBondContact O-N 3.28Å; W450-R454 VanDerWaalsContact O-N 3.11Å; Q451-R454 WeakPolarHBondContact O-CB 3.5Å; Q451-R454 PolarHBondContact O-N 3.18Å; Q452-R454 PolarHBondContact O-N 2.98Å; R454-Q456 VanDerWaalsContact C-N 3.33Å; R454-F458 CarbonylContact O-C 3.47Å; R454-F458 PolarHBondContact O-N 2.68Å; R454-P459 PolarHBondContact NH2-O 3.38Å; R454-P459 WeakPolarHBondContact O-CA 3.04Å; R454-P459 WeakPolarHBondContact O-CD 3.3Å; R454-W461 PolarHBondContact NH2-O 3.06Å
455L96.9Very high95.2Very high117 Ų11759.2 Ų59.261%0.61330%0.297SS*.Hα-helixtrans-65.9-39.7-176.2-68.8170.4000111.3Q451 Q452Q451-L455 HydrophobicContact CG-CD1 3.83Å; Q451-L455 HydrophobicContact CG-CG 4.45Å; Q451-L455 WeakPolarHBondContact O-CG 3.46Å; Q451-L455 PolarHBondContact O-N 2.95Å; Q452-L455 PolarHBondContact O-N 2.72Å; Q452-L455 VanDerWaalsContact O-N 3.13Å
456Q97.2Very high95Very high72 Ų7263.7 Ų63.734%0.33631%0.309SS..Hα-helixtrans-92.8-29.7-169-57.8176.82800114.3V322 S323 Q452 R454V322-Q456 VanDerWaalsContact CA-OE1 3.25Å; V322-Q456 HydrophobicContact CG2-CB 4.4Å; S323-Q456 PolarHBondContact O-NE2 2.87Å; S323-Q456 PolarHBondContact OG-OE1 2.97Å; Q452-Q456 WeakPolarHBondContact O-CB 3.38Å; Q452-Q456 WeakPolarHBondContact O-CG 3.29Å; Q452-Q456 PolarHBondContact O-N 2.68Å; R454-Q456 VanDerWaalsContact C-N 3.33Å
457A95.9Very high94.9Very high30 Ų3067.2 Ų67.225%0.24833%0.329CS..THydrogen-bonded Turntrans-131.3-38.3-176.400000114.9R318 V322 L453 P459R318-A457 WeakPolarHBondContact O-CB 3.3Å; V322-A457 HydrophobicContact CG2-CB 3.85Å; L453-A457 HydrophobicContact CD1-CB 4.15Å; L453-A457 PolarHBondContact O-N 3.37Å; L453-A457 VanDerWaalsContact O-N 3.13Å; A457-P459 WeakPolarHBondContact O-CD 3.26Å
458F96.1Very high94.7Very high4 Ų465.7 Ų65.72%0.01832%0.323CS..  trans-121.857.3-173.3-62.7-32000114.2L254 A274 R275 R318 L453 R454 L460 W461L254-F458 HydrophobicContact CD1-CB 4.1Å; L254-F458 HydrophobicContact CD1-CD1 4.2Å; L254-F458 HydrophobicContact CD1-CG 4.39Å; L254-F458 HydrophobicContact CD2-CD1 3.6Å; L254-F458 HydrophobicContact CD2-CE1 3.83Å; L254-F458 HydrophobicContact CD2-CG 4.08Å; L254-F458 HydrophobicContact CD2-CZ 4.47Å; L254-F458 HydrophobicContact CG-CD1 4.02Å; A274-F458 HydrophobicContact CB-CE2 4.32Å; A274-F458 HydrophobicContact CB-CZ 3.82Å; R275-F458 HydrophobicContact CB-CE2 4.19Å; R318-F458 HydrophobicContact CB-CE1 4.4Å; L453-F458 HydrophobicContact CD1-CD2 3.77Å; L453-F458 HydrophobicContact CD1-CE2 3.95Å; L453-F458 HydrophobicContact CD2-CD2 4.05Å; L453-F458 HydrophobicContact CD2-CE2 4.34Å; L453-F458 HydrophobicContact CG-CD2 3.83Å; L453-F458 HydrophobicContact CG-CE2 4.37Å; L453-F458 PolarHBondContact O-N 2.9Å; R454-F458 CarbonylContact O-C 3.47Å; R454-F458 PolarHBondContact O-N 2.68Å; F458-L460 PolarHBondContact O-N 3.15Å; F458-W461 HydrophobicContact CB-CB 4.28Å; F458-W461 HydrophobicContact CB-CE3 4.25Å; F458-W461 AromaticContact CD2-CE3 3.98Å; F458-W461 HydrophobicContact CD2-CE3 3.98Å; F458-W461 HydrophobicContact CD2-CZ3 4.17Å; F458-W461 HydrophobicContact CE2-CZ3 4.42Å; F458-W461 HydrophobicContact CG-CE3 4.24Å; F458-W461 WeakPolarHBondContact O-CB 3.24Å; F458-W461 PolarHBondContact O-N 3.12Å
459P95.3Very high94.6Very high80 Ų8062.1 Ų62.152%0.51931%0.306SS..THydrogen-bonded Turntrans-63.3-44.4-174.622.5-32.3000111.5R454 A457 W461R454-P459 PolarHBondContact NH2-O 3.38Å; R454-P459 WeakPolarHBondContact O-CA 3.04Å; R454-P459 WeakPolarHBondContact O-CD 3.3Å; A457-P459 WeakPolarHBondContact O-CD 3.26Å; P459-W461 PolarHBondContact O-N 3.14Å; P459-W461 VanDerWaalsContact O-N 3.14Å
460L95.3Very high94.5Very high74 Ų7465.4 Ų65.439%0.38732%0.324SS..THydrogen-bonded Turntrans-72.42.3-179.9-60.7175000114.2V234 G236 S237 L254 F458 P462V234-L460 HydrophobicContact CG1-CB 4.36Å; V234-L460 WeakPolarHBondContact CG1-O 3.27Å; G236-L460 VanDerWaalsContact C-CD1 3.48Å; G236-L460 WeakPolarHBondContact O-CD1 3.19Å; S237-L460 WeakPolarHBondContact OG-CD1 3.46Å; L254-L460 HydrophobicContact CD1-CB 4.41Å; F458-L460 PolarHBondContact O-N 3.15Å; L460-P462 VanDerWaalsContact O-CD 3.22Å; L460-P462 WeakPolarHBondContact O-CD 3.32Å; L460-P462 VanDerWaalsContact O-N 3.07Å
461W94.8Very high94.5Very high30 Ų3064.9 Ų64.911%0.11432%0.322CS..PPolyproline II helixtrans-56.9117.4179.2-171.5-69000111L254 L267 D271 K272 R275 W450 R454 F458 P459 R463L254-W461 HydrophobicContact CD1-CB 4.16Å; L254-W461 HydrophobicContact CD1-CE3 4.49Å; L254-W461 HydrophobicContact CD2-CE3 4.06Å; L254-W461 HydrophobicContact CD2-CZ3 4.36Å; L267-W461 HydrophobicContact CD1-CD2 3.33Å; L267-W461 HydrophobicContact CD1-CE3 3.49Å; L267-W461 VanDerWaalsContact CD1-CE3 3.49Å; L267-W461 HydrophobicContact CD1-CG 3.98Å; L267-W461 HydrophobicContact CD1-CH2 3.69Å; L267-W461 HydrophobicContact CD1-CZ2 3.58Å; L267-W461 HydrophobicContact CD1-CZ3 3.66Å; D271-W461 HydrophobicContact CB-CZ3 4.28Å; K272-W461 HydrophobicContact CG-CH2 4.3Å; R275-W461 HydrophobicContact CB-CH2 3.83Å; R275-W461 HydrophobicContact CB-CZ3 3.81Å; R275-W461 VanDerWaalsContact CD-CZ2 3.46Å; R275-W461 HydrophobicContact CG-CH2 4.15Å; R275-W461 HydrophobicContact CG-CZ3 4.35Å; R275-W461 VanDerWaalsContact NH1-CE2 3.25Å; R275-W461 VanDerWaalsContact NH1-CZ2 3.31Å; W450-W461 HydrophobicContact CH2-CB 3.82Å; W450-W461 AromaticContact CH2-CD1 3.73Å; W450-W461 AromaticContact CH2-CD2 3.46Å; W450-W461 HydrophobicContact CH2-CD2 3.46Å; W450-W461 VanDerWaalsContact CH2-CD2 3.46Å; W450-W461 AromaticContact CH2-CE2 3.86Å; W450-W461 AromaticContact CH2-CE3 3.95Å; W450-W461 HydrophobicContact CH2-CE3 3.95Å; W450-W461 AromaticContact CH2-CG 3.39Å; W450-W461 HydrophobicContact CH2-CG 3.39Å; W450-W461 HydrophobicContact CZ2-CB 4.27Å; W450-W461 AromaticContact CZ2-CD1 3.63Å; W450-W461 HydrophobicContact CZ2-CD2 4.14Å; W450-W461 AromaticContact CZ2-CG 3.76Å; W450-W461 HydrophobicContact CZ2-CG 3.76Å; W450-W461 AromaticContact CZ2-NE1 3.94Å; W450-W461 HydrophobicContact CZ3-CD2 4.42Å; R454-W461 PolarHBondContact NH2-O 3.06Å; F458-W461 HydrophobicContact CB-CB 4.28Å; F458-W461 HydrophobicContact CB-CE3 4.25Å; F458-W461 AromaticContact CD2-CE3 3.98Å; F458-W461 HydrophobicContact CD2-CE3 3.98Å; F458-W461 HydrophobicContact CD2-CZ3 4.17Å; F458-W461 HydrophobicContact CE2-CZ3 4.42Å; F458-W461 HydrophobicContact CG-CE3 4.24Å; F458-W461 WeakPolarHBondContact O-CB 3.24Å; F458-W461 PolarHBondContact O-N 3.12Å; P459-W461 PolarHBondContact O-N 3.14Å; P459-W461 VanDerWaalsContact O-N 3.14Å; W461-R463 PolarHBondContact O-N 3.45Å
462P89.7Confident94.3Very high45 Ų4568 Ų6829%0.29233%0.329SS..PPolyproline II helixtrans-58.7132.6-171.6-29.137.7000112.8V234 L267 L460 S464V234-P462 HydrophobicContact CG1-CG 3.82Å; V234-P462 HydrophobicContact CG2-CG 4.32Å; L267-P462 HydrophobicContact CD2-CG 4.28Å; L460-P462 VanDerWaalsContact O-CD 3.22Å; L460-P462 WeakPolarHBondContact O-CD 3.32Å; L460-P462 VanDerWaalsContact O-N 3.07Å; P462-S464 PolarHBondContact O-N 2.69Å
463R85.1Confident94Very high211 Ų21169.6 Ų69.680%0.79634%0.337SS*.PPolyproline II helixtrans-77.4116.9168.1-63.4-176.5-175.1-157.12.2107.3W461W461-R463 PolarHBondContact O-N 3.45Å
464S83.3Confident93.8Very high68 Ų6873.3 Ų73.348%0.47636%0.355SS..PPolyproline II helixtrans-65.2149.4165.7-51.50000109.4P462 R466P462-S464 PolarHBondContact O-N 2.69Å; S464-R466 PolarHBondContact O-N 3.07Å
465D90.3Very high93.7Very high81 Ų8174.8 Ų74.843%0.43337%0.365SS..PPolyproline II helixtrans-53.6134.3169.5-1791.6000110.2N467 L468D465-N467 VanDerWaalsContact CG-ND2 3.35Å; D465-N467 PolarHBondContact O-N 3.15Å; D465-N467 PolarHBondContact OD1-N 3.18Å; D465-N467 PolarHBondContact OD1-ND2 3.41Å; D465-N467 WeakPolarHBondContact OD2-CB 3.47Å; D465-N467 PolarHBondContact OD2-ND2 3.34Å; D465-L468 HydrophobicContact CB-CD1 4.13Å; D465-L468 HydrophobicContact CB-CG 4.19Å; D465-L468 WeakPolarHBondContact O-CB 3.46Å; D465-L468 PolarHBondContact O-N 3.46Å
466R93.3Very high93.5Very high126 Ų12672.3 Ų72.348%0.47535%0.35SS..G310 helixtrans-62.3-32.6177.4-172.2175.6178.7-167.7-7.2111.1S464 L468 L469 L470S464-R466 PolarHBondContact O-N 3.07Å; R466-L468 PolarHBondContact O-N 3.48Å; R466-L468 VanDerWaalsContact O-N 3.12Å; R466-L469 WeakPolarHBondContact O-CA 3.42Å; R466-L469 WeakPolarHBondContact O-CB 3.46Å; R466-L469 PolarHBondContact O-N 3.27Å; R466-L470 HydrophobicContact CG-CD1 4.41Å; R466-L470 HydrophobicContact CG-CD2 4.2Å; R466-L470 HydrophobicContact CG-CG 4.2Å; R466-L470 PolarHBondContact O-N 3.24Å
467N95.4Very high93.3Very high91 Ų9172.3 Ų72.349%0.48735%0.351SS..G310 helixtrans-56.1-31.2177.5-60.2-41.4000112.4D465 L469 L470D465-N467 VanDerWaalsContact CG-ND2 3.35Å; D465-N467 PolarHBondContact O-N 3.15Å; D465-N467 PolarHBondContact OD1-N 3.18Å; D465-N467 PolarHBondContact OD1-ND2 3.41Å; D465-N467 WeakPolarHBondContact OD2-CB 3.47Å; D465-N467 PolarHBondContact OD2-ND2 3.34Å; N467-L469 PolarHBondContact O-N 3.09Å; N467-L470 PolarHBondContact O-N 3.07Å
468L94.9Very high93.1Very high18 Ų1875.1 Ų75.19%0.09436%0.358CS..G310 helixtrans-71.46.6175.6-57.5172.7000113.9M68 K405 D465 R466M68-L468 HydrophobicContact CB-CD1 4.46Å; M68-L468 HydrophobicContact CB-CD2 4.21Å; M68-L468 HydrophobicContact CE-CD1 3.85Å; M68-L468 HydrophobicContact SD-CD1 4.44Å; K405-L468 PolarHBondContact NZ-O 3.46Å; D465-L468 HydrophobicContact CB-CD1 4.13Å; D465-L468 HydrophobicContact CB-CG 4.19Å; D465-L468 WeakPolarHBondContact O-CB 3.46Å; D465-L468 PolarHBondContact O-N 3.46Å; R466-L468 PolarHBondContact O-N 3.48Å; R466-L468 VanDerWaalsContact O-N 3.12Å
469L96.1Very high92.9Very high23 Ų2380.2 Ų80.212%0.1238%0.382CS..G310 helixtrans-138-1-175.3-56171.4000113.1Y436 W437 R466 N467Y436-L469 HydrophobicContact CD1-CB 4.33Å; Y436-L469 HydrophobicContact CD1-CD2 3.75Å; Y436-L469 HydrophobicContact CE1-CD2 3.58Å; W437-L469 HydrophobicContact CB-CB 4.06Å; W437-L469 VanDerWaalsContact CB-O 3.31Å; W437-L469 WeakPolarHBondContact CB-O 3.5Å; W437-L469 HydrophobicContact CE3-CB 4.35Å; W437-L469 HydrophobicContact CE3-CD1 3.7Å; W437-L469 HydrophobicContact CZ3-CD1 4.03Å; W437-L469 PolarHBondContact N-O 3.05Å; R466-L469 WeakPolarHBondContact O-CA 3.42Å; R466-L469 WeakPolarHBondContact O-CB 3.46Å; R466-L469 PolarHBondContact O-N 3.27Å; N467-L469 PolarHBondContact O-N 3.09Å
470L97.1Very high92.7Very high69 Ų6980.2 Ų80.236%0.36137%0.372SS..  trans-916-176.4-68.9177.7000114.5T435 W437 R466 N467T435-L470 VanDerWaalsContact CG2-O 3.3Å; T435-L470 WeakPolarHBondContact CG2-O 3.16Å; W437-L470 HydrophobicContact CB-CD2 4.17Å; W437-L470 HydrophobicContact CG-CD2 4.49Å; R466-L470 HydrophobicContact CG-CD1 4.41Å; R466-L470 HydrophobicContact CG-CD2 4.2Å; R466-L470 HydrophobicContact CG-CG 4.2Å; R466-L470 PolarHBondContact O-N 3.24Å; N467-L470 PolarHBondContact O-N 3.07Å
471F96.4Very high92.5Very high20 Ų2080.8 Ų80.89%0.08837%0.37CS..  trans-66.9155.8170.163.6-88.7000111.5A70 K405 L406 F409 T435 Y436A70-F471 WeakPolarHBondContact O-CD1 3.41Å; K405-F471 HydrophobicContact CB-CE1 4.14Å; K405-F471 HydrophobicContact CB-CE2 4.43Å; K405-F471 HydrophobicContact CB-CZ 3.55Å; K405-F471 HydrophobicContact CD-CE1 3.88Å; K405-F471 HydrophobicContact CD-CZ 4.11Å; L406-F471 HydrophobicContact CB-CE2 4.37Å; L406-F471 HydrophobicContact CD1-CD2 3.65Å; L406-F471 HydrophobicContact CD1-CE2 4Å; F409-F471 HydrophobicContact CB-CE2 4.34Å; F409-F471 HydrophobicContact CD1-CD2 4.32Å; F409-F471 AromaticContact CD1-CE2 3.95Å; F409-F471 HydrophobicContact CD1-CE2 3.95Å; T435-F471 WeakPolarHBondContact CA-O 3.26Å; T435-F471 WeakPolarHBondContact CB-O 3.43Å; Y436-F471 VanDerWaalsContact CB-CE2 3.5Å; Y436-F471 VanDerWaalsContact CB-CZ 3.49Å; Y436-F471 AromaticContact CD1-CE1 3.6Å; Y436-F471 HydrophobicContact CD1-CE1 3.6Å; Y436-F471 HydrophobicContact CD1-CE2 4.17Å; Y436-F471 AromaticContact CD1-CZ 3.28Å; Y436-F471 HydrophobicContact CD1-CZ 3.28Å; Y436-F471 HydrophobicContact CD2-CE2 4.1Å; Y436-F471 AromaticContact CD2-CZ 3.88Å; Y436-F471 HydrophobicContact CD2-CZ 3.88Å; Y436-F471 HydrophobicContact CE1-CE1 4.27Å; Y436-F471 AromaticContact CE1-CZ 3.87Å; Y436-F471 HydrophobicContact CE1-CZ 3.87Å; Y436-F471 HydrophobicContact CE2-CZ 4.38Å; Y436-F471 AromaticContact CG-CE1 3.96Å; Y436-F471 HydrophobicContact CG-CE1 3.96Å; Y436-F471 AromaticContact CG-CE2 3.7Å; Y436-F471 HydrophobicContact CG-CE2 3.7Å; Y436-F471 AromaticContact CG-CZ 3.28Å; Y436-F471 HydrophobicContact CG-CZ 3.28Å; Y436-F471 PolarHBondContact N-O 3.09Å
472R93.6Very high92.3Very high187 Ų18785.4 Ų85.471%0.70639%0.394SS*.  trans-1010173.9-49-167.4-177.5-179.6-2.6109.7L406 F409 H434 T435L406-R472 WeakPolarHBondContact CD1-O 3.46Å; F409-R472 WeakPolarHBondContact CD1-OXT 3.41Å; F409-R472 WeakPolarHBondContact CE1-OXT 3.36Å; H434-R472 VanDerWaalsContact O-CG 3.3Å; H434-R472 WeakPolarHBondContact O-CG 3.48Å; T435-R472 HydrophobicContact CG2-CG 4.41Å

Retrieved 472 of 472 residues in 609.5 ms (Link to these results)

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