A0A077ZG97_TRITR Loading...

18S rRNA (guanine-N(7))-methyltransferase

S-adenosyl-L-methionine-dependent methyltransferase that specifically methylates the N(7) position of a guanine in 18S rRNA. Requires the methyltransferase adapter protein TRM112 for full rRNA methyltransferase activity. Involved in the pre-rRNA processing steps leading to small-subunit rRNA production independently of its RNA-modifying catalytic activity. Important for biogenesis end export of the 40S ribosomal subunit independent on its methyltransferase activity. Locus-specific steroid receptor coactivator. Potentiates transactivation by glucocorticoid (NR3C1), mineralocorticoid (NR3C2), androgen (AR) and progesterone (PGR) receptors. Required for the maintenance of open chromatin at the TSC22D3/GILZ locus to facilitate NR3C1 loading on the response elements. Required for maintenance of dimethylation on histone H3 'Lys-79' (H3K79me2), although direct histone methyltransferase activity is not observed in vitro.

AlphaFold DB , UniProt , Accession A0A077ZG97, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 269 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M35.1Very low73.1Confident227 Ų22793.9 Ų93.9100%1.11848%0.481SS*.  01200-68.6-70.5-179.100107.9K3M1-K3 PolarHBondContact O-N 3.39Å
2P48.2Very low74.3Confident125 Ų12588.8 Ų88.881%0.81246%0.459SS*.PPolyproline II helixtrans-56.3135.2170.324.8-31.5000108.5K4P2-K4 PolarHBondContact O-N 3.28Å; P2-K4 VanDerWaalsContact O-N 3.15Å
3K63.2Low75.3Confident205 Ų20585.5 Ų85.589%0.89145%0.453SS*.PPolyproline II helixtrans-60.8121.7177.3-75.7-176.3178.31780107.9M1 R5M1-K3 PolarHBondContact O-N 3.39Å; K3-R5 PolarHBondContact O-N 2.87Å
4K75.5Confident76.1Confident154 Ų15487.4 Ų87.467%0.6746%0.462SS*.PPolyproline II helixtrans-57.9135.7174.6-159.7-173-168.3-164.20108.1P2 H8P2-K4 PolarHBondContact O-N 3.28Å; P2-K4 VanDerWaalsContact O-N 3.15Å; K4-H8 HydrophobicContact CD-CB 4.25Å; K4-H8 VanDerWaalsContact CE-O 3.31Å; K4-H8 WeakPolarHBondContact CE-O 3.5Å; K4-H8 HydrophobicContact CG-CB 4.18Å; K4-H8 PolarHBondContact NZ-O 2.78Å
5R81.7Confident76.8Confident68 Ų6885.9 Ų85.926%0.25745%0.448SS..PPolyproline II helixtrans-61.1132.5175.8-62.6-178.966.2141.2-4.9109.3K3 E7 H8 Y162 P163K3-R5 PolarHBondContact O-N 2.87Å; R5-E7 HydrophobicContact CB-CG 4.17Å; R5-E7 WeakPolarHBondContact CB-OE2 3.44Å; R5-E7 IonicContact CZ-OE1 2.69Å; R5-E7 IonicContact NE-OE1 3.31Å; R5-E7 PolarHBondContact NE-OE1 2.8Å; R5-E7 IonicContact NH2-OE1 3.1Å; R5-E7 PolarHBondContact NH2-OE1 2.85Å; R5-E7 PolarHBondContact O-N 3.27Å; R5-E7 VanDerWaalsContact O-N 3.16Å; R5-H8 PolarHBondContact O-N 3.12Å; R5-Y162 PolarHBondContact NH2-O 2.93Å; R5-P163 PolarHBondContact NH1-O 3.38Å
6P83.9Confident77.5Confident42 Ų4283.1 Ų83.127%0.27343%0.43SS..G310 helixtrans-46.1-42.1178.7-33.938.3000114.4H8 G9 Y15 W125P6-H8 PolarHBondContact O-N 3.48Å; P6-H8 VanDerWaalsContact O-N 3.16Å; P6-G9 PolarHBondContact O-N 2.96Å; P6-Y15 HydrophobicContact CB-CD1 4.34Å; P6-Y15 HydrophobicContact CB-CD2 4.3Å; P6-Y15 HydrophobicContact CB-CE1 3.82Å; P6-Y15 HydrophobicContact CB-CE2 3.77Å; P6-Y15 HydrophobicContact CG-CE1 4.34Å; P6-W125 HydrophobicContact CB-CH2 3.58Å; P6-W125 HydrophobicContact CB-CZ2 3.86Å
7E82.3Confident78.2Confident13 Ų1383.1 Ų83.16%0.06143%0.431CS..G310 helixtrans-70.7-3.2-177.563-92.1-146.600114.6R5 W125 N128R5-E7 HydrophobicContact CB-CG 4.17Å; R5-E7 WeakPolarHBondContact CB-OE2 3.44Å; R5-E7 IonicContact CZ-OE1 2.69Å; R5-E7 IonicContact NE-OE1 3.31Å; R5-E7 PolarHBondContact NE-OE1 2.8Å; R5-E7 IonicContact NH2-OE1 3.1Å; R5-E7 PolarHBondContact NH2-OE1 2.85Å; R5-E7 PolarHBondContact O-N 3.27Å; R5-E7 VanDerWaalsContact O-N 3.16Å; E7-W125 HydrophobicContact CB-CD2 4.12Å; E7-W125 HydrophobicContact CB-CE3 3.72Å; E7-W125 HydrophobicContact CB-CH2 4.47Å; E7-W125 HydrophobicContact CB-CZ3 3.94Å; E7-N128 HydrophobicContact CB-CB 4.35Å; E7-N128 VanDerWaalsContact CB-ND2 3.29Å; E7-N128 WeakPolarHBondContact CB-ND2 3.4Å; E7-N128 WeakPolarHBondContact CG-ND2 3.47Å; E7-N128 WeakPolarHBondContact O-CB 3.34Å; E7-N128 PolarHBondContact O-ND2 3.09Å
8H82.7Confident78.8Confident51 Ų5186.9 Ų86.924%0.23645%0.447CS..G310 helixtrans-101.25.8169.6-59.4-179.5000112.1K4 R5 P6 N128 E130 E164K4-H8 HydrophobicContact CD-CB 4.25Å; K4-H8 VanDerWaalsContact CE-O 3.31Å; K4-H8 WeakPolarHBondContact CE-O 3.5Å; K4-H8 HydrophobicContact CG-CB 4.18Å; K4-H8 PolarHBondContact NZ-O 2.78Å; R5-H8 PolarHBondContact O-N 3.12Å; P6-H8 PolarHBondContact O-N 3.48Å; P6-H8 VanDerWaalsContact O-N 3.16Å; H8-N128 PolarHBondContact CD2-ND2 3.46Å; H8-E130 VanDerWaalsContact C-OE1 3.29Å; H8-E164 IonicContact CE1-OE1 3.44Å; H8-E164 PolarHBondContact CE1-OE1 2.87Å; H8-E164 IonicContact NE2-OE1 3.82Å
9G82.2Confident79.4Confident32 Ų3290.8 Ų90.833%0.3346%0.46SS..THydrogen-bonded Turntrans-105-74.9-172.900000112.1P6P6-G9 PolarHBondContact O-N 2.96Å
10L83.4Confident79.9Confident89 Ų8988.8 Ų88.847%0.46645%0.448SS..SBendtrans-132.5154.4-178.7-70.3174.2000108.9L14L10-L14 HydrophobicContact CB-CB 4.31Å; L10-L14 HydrophobicContact CD1-CB 4.5Å
11P85.9Confident80.4Confident27 Ų2784.5 Ų84.518%0.17543%0.427CS..  trans-51.6147.1167-24.833.4000111.2A13 L14 Y15 E130P11-A13 PolarHBondContact O-N 3.28Å; P11-A13 VanDerWaalsContact O-N 3.11Å; P11-L14 PolarHBondContact O-N 2.88Å; P11-Y15 PolarHBondContact O-N 3.19Å; P11-E130 HydrophobicContact CG-CB 4.37Å
12P87.5Confident82.9Confident33 Ų3379.2 Ų79.221%0.21440%0.399CS..Hα-helixtrans-58.6-31.5-174.421.3-32.3000113.4L14 Y16 V81 W125P12-L14 PolarHBondContact O-N 3.4Å; P12-Y16 PolarHBondContact O-N 2.97Å; P12-V81 HydrophobicContact CB-CG1 3.82Å; P12-V81 HydrophobicContact CG-CG1 3.79Å; P12-W125 HydrophobicContact CB-CD2 3.84Å; P12-W125 HydrophobicContact CB-CE3 3.68Å; P12-W125 HydrophobicContact CB-CG 4.3Å; P12-W125 HydrophobicContact CB-CH2 4.46Å; P12-W125 HydrophobicContact CB-CZ3 3.99Å; P12-W125 HydrophobicContact CG-CB 4.27Å; P12-W125 HydrophobicContact CG-CD2 4.23Å; P12-W125 HydrophobicContact CG-CE3 3.94Å; P12-W125 HydrophobicContact CG-CG 4.41Å
13A87.2Confident84.8Confident46 Ų4678.7 Ų78.738%0.3838%0.384SS..Hα-helixtrans-61.3-29175.800000113.4P11 V81P11-A13 PolarHBondContact O-N 3.28Å; P11-A13 VanDerWaalsContact O-N 3.11Å; A13-V81 HydrophobicContact CB-CG1 4.45Å; A13-V81 HydrophobicContact CB-CG2 3.93Å
14L86.3Confident86Confident111 Ų11170.6 Ų70.658%0.58135%0.348SS*.Hα-helixtrans-103.8-30.1-179.2-61.3179.6000112.3L10 P11 P12L10-L14 HydrophobicContact CB-CB 4.31Å; L10-L14 HydrophobicContact CD1-CB 4.5Å; P11-L14 PolarHBondContact O-N 2.88Å; P12-L14 PolarHBondContact O-N 3.4Å
15Y87.5Confident86.5Confident66 Ų6664.3 Ų64.326%0.25933%0.326SS..Hα-helixtrans-64.8-46.6179.6-177.4-90000111.9P6 P11 D17 E20 W125P6-Y15 HydrophobicContact CB-CD1 4.34Å; P6-Y15 HydrophobicContact CB-CD2 4.3Å; P6-Y15 HydrophobicContact CB-CE1 3.82Å; P6-Y15 HydrophobicContact CB-CE2 3.77Å; P6-Y15 HydrophobicContact CG-CE1 4.34Å; P11-Y15 PolarHBondContact O-N 3.19Å; Y15-D17 VanDerWaalsContact C-N 3.34Å; Y15-D17 PolarHBondContact O-N 3.48Å; Y15-E20 HydrophobicContact CE1-CG 4.32Å; Y15-W125 AromaticContact CD1-CH2 3.88Å; Y15-W125 HydrophobicContact CD1-CH2 3.88Å; Y15-W125 HydrophobicContact CD1-CZ2 4.44Å; Y15-W125 HydrophobicContact CD2-CH2 4.48Å; Y15-W125 AromaticContact CG-CH2 3.88Å; Y15-W125 HydrophobicContact CG-CH2 3.88Å
16Y87.7Confident86.8Confident41 Ų4165.6 Ų65.616%0.16135%0.345CS..SBendtrans-89.474.7176.2-68.9-74.1000110.2P12 E20 Y24 S82 A84 M85 W125P12-Y16 PolarHBondContact O-N 2.97Å; Y16-E20 HydrophobicContact CD1-CG 4.4Å; Y16-Y24 HydrophobicContact CE1-CD2 4.11Å; Y16-S82 PolarHBondContact O-OG 3.36Å; Y16-A84 WeakPolarHBondContact O-CB 3.5Å; Y16-M85 HydrophobicContact CD1-CE 4.34Å; Y16-M85 HydrophobicContact CD1-CG 4.46Å; Y16-M85 HydrophobicContact CD1-SD 4.12Å; Y16-M85 HydrophobicContact CG-CG 4.14Å; Y16-M85 HydrophobicContact CG-SD 4.39Å; Y16-W125 HydrophobicContact CE2-CH2 4.21Å; Y16-W125 AromaticContact CE2-CZ2 3.62Å; Y16-W125 HydrophobicContact CE2-CZ2 3.62Å
17D89Confident87.1Confident83 Ų8366.7 Ų66.744%0.44435%0.348SS..  trans-72.8179.5168.570.915.8000111.7Y15 K19 E20 A21 A84Y15-D17 VanDerWaalsContact C-N 3.34Å; Y15-D17 PolarHBondContact O-N 3.48Å; D17-K19 PolarHBondContact O-N 3.02Å; D17-K19 WeakPolarHBondContact OD1-CA 3.08Å; D17-K19 WeakPolarHBondContact OD1-CB 3.45Å; D17-K19 PolarHBondContact OD1-N 3.49Å; D17-E20 PolarHBondContact O-N 3.27Å; D17-E20 PolarHBondContact OD1-N 3.08Å; D17-A21 WeakPolarHBondContact O-CB 3.42Å; D17-A21 PolarHBondContact O-N 2.82Å; D17-A84 VanDerWaalsContact C-CB 3.49Å
18E88.9Confident87.5Confident152 Ų15270.7 Ų70.771%0.7138%0.378SS*.Hα-helixtrans-55.9-38.6-180-66.2178.4-17900112.6Q22 A84E18-Q22 WeakPolarHBondContact O-CB 3.26Å; E18-Q22 VanDerWaalsContact O-CG 3.25Å; E18-Q22 WeakPolarHBondContact O-CG 2.92Å; E18-Q22 PolarHBondContact O-N 3.48Å; E18-A84 HydrophobicContact CG-CB 4.18Å
19K90.2Very high87.9Confident161 Ų16177.4 Ų77.470%0.740%0.401SS*.Hα-helixtrans-73.4-47.6-177.3-176.4-179.3179.3-179.80111.3D17 A21 Q22 K23D17-K19 PolarHBondContact O-N 3.02Å; D17-K19 WeakPolarHBondContact OD1-CA 3.08Å; D17-K19 WeakPolarHBondContact OD1-CB 3.45Å; D17-K19 PolarHBondContact OD1-N 3.49Å; K19-A21 VanDerWaalsContact C-N 3.33Å; K19-Q22 PolarHBondContact O-N 3.42Å; K19-K23 VanDerWaalsContact O-CB 3.27Å; K19-K23 WeakPolarHBondContact O-CB 3.28Å; K19-K23 PolarHBondContact O-N 2.94Å
20E89.9Confident88.1Confident49 Ų4979.1 Ų79.123%0.22940%0.402CS..Hα-helixtrans-70.4-34-179.4-158.463.4-156.500110.6Y15 Y16 D17 K23 Y24Y15-E20 HydrophobicContact CE1-CG 4.32Å; Y16-E20 HydrophobicContact CD1-CG 4.4Å; D17-E20 PolarHBondContact O-N 3.27Å; D17-E20 PolarHBondContact OD1-N 3.08Å; E20-K23 PolarHBondContact O-N 3.01Å; E20-K23 IonicContact OE1-NZ 2.65Å; E20-K23 PolarHBondContact OE1-NZ 3.08Å; E20-K23 IonicContact OE2-NZ 3.67Å; E20-K23 PolarHBondContact OE2-NZ 2.97Å; E20-K23 VanDerWaalsContact OE2-NZ 3.07Å; E20-Y24 WeakPolarHBondContact O-CB 3.33Å; E20-Y24 PolarHBondContact O-N 3.28Å
21A89.4Confident88.5Confident0 Ų076.6 Ų76.60%039%0.39CS..Hα-helixtrans-63.1-47.5172.400000112.3D17 K19 Y24 A25 A84 M85 V88D17-A21 WeakPolarHBondContact O-CB 3.42Å; D17-A21 PolarHBondContact O-N 2.82Å; K19-A21 VanDerWaalsContact C-N 3.33Å; A21-Y24 PolarHBondContact O-N 3.41Å; A21-A25 WeakPolarHBondContact O-CB 3.29Å; A21-A25 PolarHBondContact O-N 3.46Å; A21-A84 HydrophobicContact CB-CB 4.02Å; A21-M85 HydrophobicContact CB-CG 4.11Å; A21-M85 HydrophobicContact CB-SD 3.64Å; A21-V88 HydrophobicContact CB-CG2 4.09Å
22Q87.7Confident88.8Confident115 Ų11580.8 Ų80.854%0.53741%0.408SS..Hα-helixtrans-63-43.9175.7-76177.13.800111.7E18 K19 Y24 A25 S26E18-Q22 WeakPolarHBondContact O-CB 3.26Å; E18-Q22 VanDerWaalsContact O-CG 3.25Å; E18-Q22 WeakPolarHBondContact O-CG 2.92Å; E18-Q22 PolarHBondContact O-N 3.48Å; K19-Q22 PolarHBondContact O-N 3.42Å; Q22-Y24 VanDerWaalsContact C-N 3.35Å; Q22-Y24 PolarHBondContact O-N 2.88Å; Q22-A25 PolarHBondContact O-N 3.24Å; Q22-S26 WeakPolarHBondContact O-CB 3.19Å; Q22-S26 PolarHBondContact O-N 2.68Å; Q22-S26 PolarHBondContact O-OG 3.5Å
23K89.5Confident89Confident115 Ų11581.9 Ų81.950%0.541%0.414SS..Hα-helixtrans-60.7-44.4176.6178.2177.2158.5-138.20111.6K19 E20 S26 N27K19-K23 VanDerWaalsContact O-CB 3.27Å; K19-K23 WeakPolarHBondContact O-CB 3.28Å; K19-K23 PolarHBondContact O-N 2.94Å; E20-K23 PolarHBondContact O-N 3.01Å; E20-K23 IonicContact OE1-NZ 2.65Å; E20-K23 PolarHBondContact OE1-NZ 3.08Å; E20-K23 IonicContact OE2-NZ 3.67Å; E20-K23 PolarHBondContact OE2-NZ 2.97Å; E20-K23 VanDerWaalsContact OE2-NZ 3.07Å; K23-S26 PolarHBondContact O-N 3.07Å; K23-S26 PolarHBondContact O-OG 2.63Å; K23-N27 PolarHBondContact O-N 3.22Å
24Y87.3Confident89.3Confident34 Ų3480.7 Ų80.713%0.13340%0.4CS..Hα-helixtrans-60.5-46.4176-173.4-84000110.9Y16 E20 A21 Q22 S26 N27 L30 Q34 L64 M85Y16-Y24 HydrophobicContact CE1-CD2 4.11Å; E20-Y24 WeakPolarHBondContact O-CB 3.33Å; E20-Y24 PolarHBondContact O-N 3.28Å; A21-Y24 PolarHBondContact O-N 3.41Å; Q22-Y24 VanDerWaalsContact C-N 3.35Å; Q22-Y24 PolarHBondContact O-N 2.88Å; Y24-S26 VanDerWaalsContact C-N 3.32Å; Y24-S26 PolarHBondContact O-N 3.09Å; Y24-N27 PolarHBondContact O-N 3.37Å; Y24-L30 HydrophobicContact CD2-CD1 4.18Å; Y24-L30 HydrophobicContact CE2-CD1 4.46Å; Y24-Q34 VanDerWaalsContact OH-CG 3.3Å; Y24-Q34 WeakPolarHBondContact OH-CG 3.48Å; Y24-Q34 PolarHBondContact OH-NE2 2.61Å; Y24-L64 HydrophobicContact CE1-CD1 4.08Å; Y24-M85 HydrophobicContact CD1-CE 4.04Å; Y24-M85 HydrophobicContact CE1-CE 4.22Å; Y24-M85 HydrophobicContact CG-CE 4.47Å
25A86.3Confident89.7Confident23 Ų2376.9 Ų76.919%0.1938%0.383CS..Hα-helixtrans-68-27.7179.600000114.3A21 Q22 V88A21-A25 WeakPolarHBondContact O-CB 3.29Å; A21-A25 PolarHBondContact O-N 3.46Å; Q22-A25 PolarHBondContact O-N 3.24Å; A25-V88 HydrophobicContact CB-CG1 3.71Å
26S88.2Confident90Very high94 Ų9478.3 Ų78.366%0.65739%0.392SS*.Hα-helixtrans-85.8-15.4179.368.70000114.1Q22 K23 Y24 S28Q22-S26 WeakPolarHBondContact O-CB 3.19Å; Q22-S26 PolarHBondContact O-N 2.68Å; Q22-S26 PolarHBondContact O-OG 3.5Å; K23-S26 PolarHBondContact O-N 3.07Å; K23-S26 PolarHBondContact O-OG 2.63Å; Y24-S26 VanDerWaalsContact C-N 3.32Å; Y24-S26 PolarHBondContact O-N 3.09Å; S26-S28 PolarHBondContact O-N 2.78Å; S26-S28 VanDerWaalsContact O-N 3.17Å
27N90.9Very high90.4Very high66 Ų6678 Ų7835%0.35339%0.392SS..  trans-80.998.4-177.2-172.9-29.8000111.4K23 Y24 R29 L30 V31K23-N27 PolarHBondContact O-N 3.22Å; Y24-N27 PolarHBondContact O-N 3.37Å; N27-R29 VanDerWaalsContact C-N 3.27Å; N27-R29 PolarHBondContact O-N 3.25Å; N27-R29 PolarHBondContact OD1-N 3.15Å; N27-L30 HydrophobicContact CB-CB 4.08Å; N27-L30 HydrophobicContact CB-CD1 3.92Å; N27-L30 HydrophobicContact CB-CG 4.14Å; N27-L30 WeakPolarHBondContact ND2-CD1 3.19Å; N27-L30 PolarHBondContact O-N 2.75Å; N27-L30 VanDerWaalsContact O-N 3.1Å; N27-L30 PolarHBondContact OD1-N 2.9Å; N27-V31 WeakPolarHBondContact O-CG2 3.26Å; N27-V31 PolarHBondContact O-N 3.31Å
28S90.6Very high90.8Very high97 Ų9774 Ų7468%0.67837%0.372SS*.Hα-helixtrans-54.4-37.6-17757.80000114.2S26 V31 Q32S26-S28 PolarHBondContact O-N 2.78Å; S26-S28 VanDerWaalsContact O-N 3.17Å; S28-V31 PolarHBondContact O-N 3.49Å; S28-Q32 WeakPolarHBondContact O-CB 3.4Å; S28-Q32 PolarHBondContact O-N 3.4Å
29R89.5Confident91.2Very high192 Ų19271 Ų7173%0.72536%0.357SS*.Hα-helixtrans-68.8-42.9178.6-175.7176.1179.9158.81.8111.7N27 Q32 V33N27-R29 VanDerWaalsContact C-N 3.27Å; N27-R29 PolarHBondContact O-N 3.25Å; N27-R29 PolarHBondContact OD1-N 3.15Å; R29-Q32 PolarHBondContact O-N 2.7Å; R29-V33 WeakPolarHBondContact O-CG2 3.5Å; R29-V33 PolarHBondContact O-N 3.07Å; R29-V33 VanDerWaalsContact O-N 3.07Å
30L88.1Confident91.4Very high67 Ų6764.7 Ų64.735%0.35133%0.329SS..Hα-helixtrans-65-43.1175.8-71.3177.8000110.8Y24 N27 Q32 V33 Q34Y24-L30 HydrophobicContact CD2-CD1 4.18Å; Y24-L30 HydrophobicContact CE2-CD1 4.46Å; N27-L30 HydrophobicContact CB-CB 4.08Å; N27-L30 HydrophobicContact CB-CD1 3.92Å; N27-L30 HydrophobicContact CB-CG 4.14Å; N27-L30 WeakPolarHBondContact ND2-CD1 3.19Å; N27-L30 PolarHBondContact O-N 2.75Å; N27-L30 VanDerWaalsContact O-N 3.1Å; N27-L30 PolarHBondContact OD1-N 2.9Å; L30-Q32 VanDerWaalsContact C-N 3.35Å; L30-Q32 PolarHBondContact O-N 2.96Å; L30-V33 PolarHBondContact O-N 3.33Å; L30-Q34 WeakPolarHBondContact O-CB 3.39Å; L30-Q34 WeakPolarHBondContact O-CG 3.47Å; L30-Q34 PolarHBondContact O-N 3.22Å
31V90.5Very high91.8Very high36 Ų3662.6 Ų62.622%0.21832%0.32CS..Hα-helixtrans-57.5-48.5176170.80000110.8N27 S28 Q34 S35 L64N27-V31 WeakPolarHBondContact O-CG2 3.26Å; N27-V31 PolarHBondContact O-N 3.31Å; S28-V31 PolarHBondContact O-N 3.49Å; V31-Q34 PolarHBondContact O-N 2.87Å; V31-S35 WeakPolarHBondContact O-CB 3.42Å; V31-S35 PolarHBondContact O-N 3.14Å; V31-S35 PolarHBondContact O-OG 3.24Å; V31-S35 VanDerWaalsContact O-OG 3.07Å; V31-L64 HydrophobicContact CG1-CD2 3.95Å; V31-L64 HydrophobicContact CG2-CD1 4.14Å; V31-L64 HydrophobicContact CG2-CD2 4.41Å
32Q92.4Very high92.1Very high116 Ų11663.3 Ų63.354%0.54232%0.324SS..Hα-helixtrans-59.1-51.9178.7-178.8-178.5-11.600111.9S28 R29 L30 Q34 S35 E36S28-Q32 WeakPolarHBondContact O-CB 3.4Å; S28-Q32 PolarHBondContact O-N 3.4Å; R29-Q32 PolarHBondContact O-N 2.7Å; L30-Q32 VanDerWaalsContact C-N 3.35Å; L30-Q32 PolarHBondContact O-N 2.96Å; Q32-Q34 VanDerWaalsContact C-N 3.3Å; Q32-Q34 PolarHBondContact O-N 3.31Å; Q32-S35 PolarHBondContact O-N 2.66Å; Q32-E36 WeakPolarHBondContact CG-OE1 3.31Å; Q32-E36 PolarHBondContact NE2-OE1 3.25Å; Q32-E36 WeakPolarHBondContact O-CG 3.43Å; Q32-E36 PolarHBondContact O-N 2.94Å
33V91.8Very high92.5Very high56 Ų5663 Ų6334%0.33932%0.323SS..Hα-helixtrans-59.7-42.3-178.91700000111.3R29 L30 E36 I37R29-V33 WeakPolarHBondContact O-CG2 3.5Å; R29-V33 PolarHBondContact O-N 3.07Å; R29-V33 VanDerWaalsContact O-N 3.07Å; L30-V33 PolarHBondContact O-N 3.33Å; V33-E36 PolarHBondContact O-N 3.15Å; V33-I37 HydrophobicContact CG1-CD1 3.87Å; V33-I37 VanDerWaalsContact O-CG1 3.28Å; V33-I37 WeakPolarHBondContact O-CG1 3.5Å; V33-I37 PolarHBondContact O-N 2.87Å
34Q93.3Very high92.7Very high21 Ų2160.1 Ų60.110%0.09831%0.312CS..Hα-helixtrans-70.1-34.9-179.3-67.3-71.22.600112.4Y24 L30 V31 Q32 I37 A38 L64 S121Y24-Q34 VanDerWaalsContact OH-CG 3.3Å; Y24-Q34 WeakPolarHBondContact OH-CG 3.48Å; Y24-Q34 PolarHBondContact OH-NE2 2.61Å; L30-Q34 WeakPolarHBondContact O-CB 3.39Å; L30-Q34 WeakPolarHBondContact O-CG 3.47Å; L30-Q34 PolarHBondContact O-N 3.22Å; V31-Q34 PolarHBondContact O-N 2.87Å; Q32-Q34 VanDerWaalsContact C-N 3.3Å; Q32-Q34 PolarHBondContact O-N 3.31Å; Q34-I37 PolarHBondContact O-N 2.78Å; Q34-A38 WeakPolarHBondContact O-CB 3.45Å; Q34-A38 PolarHBondContact O-N 3.18Å; Q34-L64 HydrophobicContact CB-CD1 4.46Å; Q34-S121 PolarHBondContact NE2-OG 3.36Å; Q34-S121 PolarHBondContact OE1-OG 3.5Å
35S94.1Very high93.1Very high31 Ų3158.6 Ų58.622%0.21731%0.307CS..Hα-helixtrans-64.3-43.9171.7-65.80000111.9V31 Q32 I37 A38 E39V31-S35 WeakPolarHBondContact O-CB 3.42Å; V31-S35 PolarHBondContact O-N 3.14Å; V31-S35 PolarHBondContact O-OG 3.24Å; V31-S35 VanDerWaalsContact O-OG 3.07Å; Q32-S35 PolarHBondContact O-N 2.66Å; S35-I37 PolarHBondContact O-N 2.68Å; S35-A38 PolarHBondContact O-N 2.95Å; S35-E39 WeakPolarHBondContact O-CG 3.39Å; S35-E39 PolarHBondContact O-N 3.32Å
36E95.5Very high93.4Very high96 Ų9661.3 Ų61.345%0.44932%0.324SS..Hα-helixtrans-61.6-42.7176.3-71.6170.1-168.700111.4Q32 V33 A38 E39 R40Q32-E36 WeakPolarHBondContact CG-OE1 3.31Å; Q32-E36 PolarHBondContact NE2-OE1 3.25Å; Q32-E36 WeakPolarHBondContact O-CG 3.43Å; Q32-E36 PolarHBondContact O-N 2.94Å; V33-E36 PolarHBondContact O-N 3.15Å; E36-A38 PolarHBondContact O-N 2.75Å; E36-E39 PolarHBondContact O-N 3Å; E36-R40 WeakPolarHBondContact O-CB 3.32Å; E36-R40 PolarHBondContact O-N 2.78Å
37I95.3Very high93.6Very high33 Ų3358.2 Ų58.217%0.16930%0.3CS..Hα-helixtrans-63-42.5174.8-67.3166.5000111.1V33 Q34 S35 R40 A41 V120 Q160V33-I37 HydrophobicContact CG1-CD1 3.87Å; V33-I37 VanDerWaalsContact O-CG1 3.28Å; V33-I37 WeakPolarHBondContact O-CG1 3.5Å; V33-I37 PolarHBondContact O-N 2.87Å; Q34-I37 PolarHBondContact O-N 2.78Å; S35-I37 PolarHBondContact O-N 2.68Å; I37-R40 PolarHBondContact O-N 3.35Å; I37-A41 WeakPolarHBondContact O-CB 3.45Å; I37-A41 PolarHBondContact O-N 3.15Å; I37-V120 HydrophobicContact CB-CG1 4.24Å; I37-V120 HydrophobicContact CG2-CB 4.5Å; I37-V120 HydrophobicContact CG2-CG1 3.61Å; I37-V120 HydrophobicContact CG2-CG2 4.2Å; I37-Q160 HydrophobicContact CG2-CB 3.88Å; I37-Q160 HydrophobicContact CG2-CG 3.6Å
38A97.3Very high93.6Very high1 Ų157.1 Ų57.11%0.00830%0.297CS..Hα-helixtrans-67-38.6178.300000112.4Q34 S35 E36 R40 A41 L42 V68 V120Q34-A38 WeakPolarHBondContact O-CB 3.45Å; Q34-A38 PolarHBondContact O-N 3.18Å; S35-A38 PolarHBondContact O-N 2.95Å; E36-A38 PolarHBondContact O-N 2.75Å; A38-R40 VanDerWaalsContact C-N 3.34Å; A38-A41 PolarHBondContact O-N 3.19Å; A38-L42 WeakPolarHBondContact O-CB 3.25Å; A38-L42 PolarHBondContact O-N 2.78Å; A38-V68 HydrophobicContact CB-CB 4.18Å; A38-V68 HydrophobicContact CB-CG1 4.4Å; A38-V68 HydrophobicContact CB-CG2 3.97Å; A38-V120 HydrophobicContact CB-CG2 4.21Å
39E96.6Very high93.3Very high87 Ų8762.1 Ų62.141%0.40731%0.306SS..Hα-helixtrans-61.4-43.8173-75.7178.7170.500110.7S35 E36 L42 E43 V68S35-E39 WeakPolarHBondContact O-CG 3.39Å; S35-E39 PolarHBondContact O-N 3.32Å; E36-E39 PolarHBondContact O-N 3Å; E39-L42 PolarHBondContact O-N 3.12Å; E39-E43 PolarHBondContact O-N 3.29Å; E39-V68 HydrophobicContact CB-CG1 4.35Å; E39-V68 HydrophobicContact CG-CG1 3.55Å; E39-V68 HydrophobicContact CG-CG2 4.21Å
40R96.3Very high93.1Very high29 Ų2958.2 Ų58.211%0.10930%0.3CS..Hα-helixtrans-65.4-41.8175.4-17854.1172166.20.4112.8E36 I37 A38 L42 E43 L44 D188 T203E36-R40 WeakPolarHBondContact O-CB 3.32Å; E36-R40 PolarHBondContact O-N 2.78Å; I37-R40 PolarHBondContact O-N 3.35Å; A38-R40 VanDerWaalsContact C-N 3.34Å; R40-L42 VanDerWaalsContact C-N 3.31Å; R40-L42 PolarHBondContact O-N 2.84Å; R40-E43 VanDerWaalsContact CD-OE2 3.32Å; R40-E43 WeakPolarHBondContact CD-OE2 3.48Å; R40-E43 IonicContact CZ-OE2 3.07Å; R40-E43 IonicContact NE-OE2 3.57Å; R40-E43 IonicContact NH1-OE1 3.64Å; R40-E43 PolarHBondContact NH1-OE1 3.11Å; R40-E43 IonicContact NH1-OE2 3.97Å; R40-E43 PolarHBondContact NH1-OE2 2.89Å; R40-E43 WeakPolarHBondContact O-CB 3.36Å; R40-E43 PolarHBondContact O-N 2.8Å; R40-L44 HydrophobicContact CG-CD1 4.48Å; R40-L44 WeakPolarHBondContact O-CG 3.08Å; R40-L44 PolarHBondContact O-N 3.46Å; R40-D188 WeakPolarHBondContact CG-OD2 3.5Å; R40-D188 IonicContact CZ-OD1 2.75Å; R40-D188 IonicContact CZ-OD2 2.76Å; R40-D188 IonicContact NE-OD1 3.5Å; R40-D188 PolarHBondContact NE-OD1 3.08Å; R40-D188 IonicContact NE-OD2 2.68Å; R40-D188 PolarHBondContact NE-OD2 3.05Å; R40-D188 IonicContact NH2-OD1 2.67Å; R40-D188 PolarHBondContact NH2-OD1 2.89Å; R40-D188 IonicContact NH2-OD2 2.83Å; R40-T203 PolarHBondContact NH2-O 3.07Å
41A96.9Very high93.1Very high5 Ų559.4 Ų59.44%0.04130%0.303CS..Hα-helixtrans-61.6-41.5175.700000111.4I37 A38 L44 L45 I118 A158I37-A41 WeakPolarHBondContact O-CB 3.45Å; I37-A41 PolarHBondContact O-N 3.15Å; A38-A41 PolarHBondContact O-N 3.19Å; A41-L44 PolarHBondContact O-N 3.45Å; A41-L45 PolarHBondContact O-N 3.22Å; A41-I118 HydrophobicContact CB-CB 4.47Å; A41-I118 HydrophobicContact CB-CG2 4.25Å; A41-A158 HydrophobicContact CB-CB 4.07Å; A41-A158 WeakPolarHBondContact O-CB 3.31Å
42L96.4Very high93.3Very high16 Ų1658.7 Ų58.78%0.08430%0.3CS..Hα-helixtrans-63.9-41.7175.2177.759.4000112.1A38 E39 R40 L44 L45 L47 V68 L69 N72A38-L42 WeakPolarHBondContact O-CB 3.25Å; A38-L42 PolarHBondContact O-N 2.78Å; E39-L42 PolarHBondContact O-N 3.12Å; R40-L42 VanDerWaalsContact C-N 3.31Å; R40-L42 PolarHBondContact O-N 2.84Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 2.87Å; L42-L45 HydrophobicContact CD1-CD1 4.23Å; L42-L45 WeakPolarHBondContact O-CB 3.24Å; L42-L45 PolarHBondContact O-N 2.95Å; L42-L47 HydrophobicContact CD1-CD1 3.84Å; L42-V68 HydrophobicContact CD2-CG1 4.3Å; L42-L69 HydrophobicContact CD1-CD2 3.83Å; L42-L69 HydrophobicContact CD2-CD2 4.38Å; L42-N72 HydrophobicContact CD2-CB 3.51Å; L42-N72 WeakPolarHBondContact CD2-ND2 3.24Å
43E95Very high93.5Very high109 Ų10953.6 Ų53.651%0.50928%0.277SS..Hα-helixtrans-57.5-46.8174.2-172.7-167.3174.300111.2E39 R40 L45 S46E39-E43 PolarHBondContact O-N 3.29Å; R40-E43 VanDerWaalsContact CD-OE2 3.32Å; R40-E43 WeakPolarHBondContact CD-OE2 3.48Å; R40-E43 IonicContact CZ-OE2 3.07Å; R40-E43 IonicContact NE-OE2 3.57Å; R40-E43 IonicContact NH1-OE1 3.64Å; R40-E43 PolarHBondContact NH1-OE1 3.11Å; R40-E43 IonicContact NH1-OE2 3.97Å; R40-E43 PolarHBondContact NH1-OE2 2.89Å; R40-E43 WeakPolarHBondContact O-CB 3.36Å; R40-E43 PolarHBondContact O-N 2.8Å; E43-L45 PolarHBondContact O-N 3.4Å; E43-S46 PolarHBondContact O-N 2.64Å
44L94.9Very high93.8Very high54 Ų5454.2 Ų54.228%0.28328%0.275SS..Hα-helixtrans-64.1-21.3179.6-71.3173.5000113.6R40 A41 L42 S46 A158 V186 P202R40-L44 HydrophobicContact CG-CD1 4.48Å; R40-L44 WeakPolarHBondContact O-CG 3.08Å; R40-L44 PolarHBondContact O-N 3.46Å; A41-L44 PolarHBondContact O-N 3.45Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 2.87Å; L44-S46 PolarHBondContact O-N 3.35Å; L44-A158 HydrophobicContact CB-CB 4.14Å; L44-V186 HydrophobicContact CD1-CB 4.46Å; L44-V186 HydrophobicContact CD2-CG1 4.5Å; L44-V186 HydrophobicContact CD2-CG2 4.23Å; L44-P202 HydrophobicContact CD2-CB 4.41Å
45L95.2Very high94.1Very high2 Ų253.2 Ų53.21%0.0127%0.271CS..THydrogen-bonded Turntrans-64.6-21.5172.3-66.2-172.1000112.8A41 L42 E43 L47 I55 A117 I118 T156 A158A41-L45 PolarHBondContact O-N 3.22Å; L42-L45 HydrophobicContact CD1-CD1 4.23Å; L42-L45 WeakPolarHBondContact O-CB 3.24Å; L42-L45 PolarHBondContact O-N 2.95Å; E43-L45 PolarHBondContact O-N 3.4Å; L45-L47 HydrophobicContact CB-CD1 4.26Å; L45-L47 HydrophobicContact CB-CD2 4.14Å; L45-L47 HydrophobicContact CB-CG 3.75Å; L45-L47 HydrophobicContact CD1-CD1 4.01Å; L45-L47 HydrophobicContact CD1-CG 4.33Å; L45-L47 PolarHBondContact O-N 2.88Å; L45-I55 HydrophobicContact CD1-CD1 4.3Å; L45-I55 HydrophobicContact CD1-CG2 4.34Å; L45-A117 WeakPolarHBondContact CD2-O 3.22Å; L45-I118 HydrophobicContact CD1-CG2 3.62Å; L45-I118 HydrophobicContact CD2-CG2 4.4Å; L45-I118 HydrophobicContact CG-CG2 4.06Å; L45-T156 WeakPolarHBondContact CA-OG1 3.32Å; L45-T156 PolarHBondContact O-OG1 3.45Å; L45-A158 HydrophobicContact CD2-CB 3.73Å; L45-A158 HydrophobicContact CG-CB 4.28Å
46S92.9Very high94.3Very high79 Ų7951.8 Ų51.855%0.55226%0.26SS*.THydrogen-bonded Turntrans52.341.5179.7-56.80000112.9E43 L44E43-S46 PolarHBondContact O-N 2.64Å; L44-S46 PolarHBondContact O-N 3.35Å
47L92.4Very high94.4Very high30 Ų3047.2 Ų47.216%0.15724%0.239CC..  trans-68.3155.7-179.8-61175.1000111.4L42 L45 K49 C53 I55L42-L47 HydrophobicContact CD1-CD1 3.84Å; L45-L47 HydrophobicContact CB-CD1 4.26Å; L45-L47 HydrophobicContact CB-CD2 4.14Å; L45-L47 HydrophobicContact CB-CG 3.75Å; L45-L47 HydrophobicContact CD1-CD1 4.01Å; L45-L47 HydrophobicContact CD1-CG 4.33Å; L45-L47 PolarHBondContact O-N 2.88Å; L47-K49 PolarHBondContact O-N 3.37Å; L47-C53 HydrophobicContact CD1-CB 4.19Å; L47-I55 HydrophobicContact CD1-CD1 3.65Å; L47-I55 HydrophobicContact CD1-CG1 4.28Å; L47-I55 HydrophobicContact CD2-CD1 4.27Å
48P90.9Very high94.6Very high43 Ų4345.6 Ų45.628%0.27923%0.231SC..  trans-60.2125.4175.6-18.931.3000111.2D50 E51P48-D50 PolarHBondContact O-N 3.38Å; P48-D50 VanDerWaalsContact O-N 3.11Å; P48-E51 HydrophobicContact CB-CB 4.23Å; P48-E51 HydrophobicContact CB-CG 4.47Å; P48-E51 PolarHBondContact O-N 2.85Å
49K83.7Confident94.6Very high201 Ų20146.2 Ų46.287%0.87424%0.237SC*.THydrogen-bonded Turntrans-61.6-23.5-172.3-66.6-178.1179.2176.40114.6L47L47-K49 PolarHBondContact O-N 3.37Å
50D84.8Confident94.7Very high111 Ų11142.3 Ų42.359%0.59422%0.219SC*.THydrogen-bonded Turntrans-11112.6-170.9-72.8-56000113.6P48 R230P48-D50 PolarHBondContact O-N 3.38Å; P48-D50 VanDerWaalsContact O-N 3.11Å; D50-R230 PolarHBondContact O-NE 3.03Å; D50-R230 VanDerWaalsContact O-NE 3.09Å; D50-R230 PolarHBondContact O-NH2 2.99Å
51E89.9Confident94.7Very high92 Ų9241.2 Ų41.243%0.4322%0.217SC..SBendtrans-131.6135.1-177-67.9173.7-139.500112.2P48 R222P48-E51 HydrophobicContact CB-CB 4.23Å; P48-E51 HydrophobicContact CB-CG 4.47Å; P48-E51 PolarHBondContact O-N 2.85Å; E51-R222 IonicContact OE1-CZ 2.8Å; E51-R222 IonicContact OE1-NH1 3.93Å; E51-R222 PolarHBondContact OE1-NH1 3.34Å; E51-R222 IonicContact OE2-CZ 2.76Å; E51-R222 IonicContact OE2-NH1 3.78Å; E51-R222 PolarHBondContact OE2-NH1 3.23Å
52S94.2Very high94.6Very high21 Ų2141.1 Ų41.115%0.14722%0.216CC..  trans-71.1134165.4-65.80000109.3G73S52-G73 VanDerWaalsContact CB-O 3.24Å; S52-G73 WeakPolarHBondContact CB-O 3.23Å; S52-G73 PolarHBondContact OG-O 2.7Å
53C96.4Very high94.6Very high8 Ų840.3 Ų40.35%0.05421%0.212CC..  trans-116.8158.5179-61.90000109.8L47 I55 H74 F75 Q115L47-C53 HydrophobicContact CD1-CB 4.19Å; C53-I55 HydrophobicContact CB-CD1 3.76Å; C53-I55 HydrophobicContact CB-CG1 4.25Å; C53-H74 PolarHBondContact N-ND1 2.65Å; C53-H74 WeakPolarHBondContact O-CB 3.1Å; C53-F75 PolarHBondContact O-N 2.86Å; C53-F75 VanDerWaalsContact O-O 3.13Å; C53-Q115 HydrophobicContact CB-CB 4.12Å
54F97.9Very high94.6Very high70 Ų7035.7 Ų35.731%0.30719%0.19SC..EExtended strand (participates in β ladder)trans-100.7113.3172-169.8-137.3000110.3F75 V77 F114 Q115F54-F75 CarbonylContact C-O 3.58Å; F54-F75 WeakPolarHBondContact CA-O 3.27Å; F54-F75 HydrophobicContact CD2-CB 3.78Å; F54-F75 HydrophobicContact CE2-CB 4.47Å; F54-V77 HydrophobicContact CE2-CG2 3.82Å; F54-V77 HydrophobicContact CZ-CB 4.39Å; F54-V77 HydrophobicContact CZ-CG2 3.57Å; F54-F114 AromaticContact CD1-CD1 3.61Å; F54-F114 HydrophobicContact CD1-CD1 3.61Å; F54-F114 AromaticContact CD1-CE1 3.81Å; F54-F114 HydrophobicContact CD1-CE1 3.81Å; F54-F114 AromaticContact CE1-CD1 3.73Å; F54-F114 HydrophobicContact CE1-CD1 3.73Å; F54-F114 AromaticContact CE1-CE1 3.39Å; F54-F114 HydrophobicContact CE1-CE1 3.39Å; F54-F114 HydrophobicContact CE1-CZ 4.23Å; F54-F114 HydrophobicContact CE2-CE1 4.31Å; F54-F114 HydrophobicContact CG-CD1 4.1Å; F54-F114 HydrophobicContact CG-CE1 4.43Å; F54-F114 HydrophobicContact CZ-CD1 4.29Å; F54-F114 AromaticContact CZ-CE1 3.68Å; F54-F114 HydrophobicContact CZ-CE1 3.68Å; F54-F114 CarbonylContact O-C 3.39Å; F54-F114 WeakPolarHBondContact O-CA 3.32Å; F54-Q115 PolarHBondContact O-N 3.37Å; F54-Q115 PolarHBondContact O-OE1 2.95Å
55I98.4Very high94.8Very high0 Ų033.6 Ų33.60%018%0.18CC..EExtended strand (participates in β ladder)trans-115.1137.8-167.7-53.3-58.4000110.6L45 L47 C53 L69 H74 F75 W76 V77 G116L45-I55 HydrophobicContact CD1-CD1 4.3Å; L45-I55 HydrophobicContact CD1-CG2 4.34Å; L47-I55 HydrophobicContact CD1-CD1 3.65Å; L47-I55 HydrophobicContact CD1-CG1 4.28Å; L47-I55 HydrophobicContact CD2-CD1 4.27Å; C53-I55 HydrophobicContact CB-CD1 3.76Å; C53-I55 HydrophobicContact CB-CG1 4.25Å; I55-L69 HydrophobicContact CB-CD1 4.05Å; I55-L69 HydrophobicContact CB-CD2 4.38Å; I55-L69 HydrophobicContact CG1-CD2 4.46Å; I55-L69 HydrophobicContact CG2-CD1 3.77Å; I55-L69 HydrophobicContact CG2-CD2 3.99Å; I55-H74 HydrophobicContact CG1-CB 4.1Å; I55-F75 PolarHBondContact N-O 3.36Å; I55-W76 HydrophobicContact CB-CB 4.45Å; I55-W76 WeakPolarHBondContact O-CA 3.39Å; I55-W76 VanDerWaalsContact O-CB 3.23Å; I55-W76 WeakPolarHBondContact O-CB 3.25Å; I55-V77 PolarHBondContact O-N 3.1Å; I55-V77 VanDerWaalsContact O-N 3.15Å; I55-G116 WeakPolarHBondContact CA-O 3.48Å
56L98.7Very high94.9Very high0 Ų033.5 Ų33.50%018%0.18CC..EExtended strand (participates in β ladder)trans-89.7123.8170.6178.863.1000109.8I58 I79 L107 F109 F114 G116 A117 I118 L147L56-I58 HydrophobicContact CD2-CD1 4.12Å; L56-I58 HydrophobicContact CD2-CG1 3.83Å; L56-I58 HydrophobicContact CG-CD1 4.46Å; L56-I58 HydrophobicContact CG-CG1 3.74Å; L56-I79 HydrophobicContact CD1-CG2 4.38Å; L56-L107 HydrophobicContact CD2-CD1 3.72Å; L56-L107 HydrophobicContact CD2-CD2 4.1Å; L56-L107 HydrophobicContact CD2-CG 4.46Å; L56-F109 HydrophobicContact CD1-CD2 4.2Å; L56-F109 HydrophobicContact CD1-CE2 3.49Å; L56-F109 VanDerWaalsContact CD1-CE2 3.49Å; L56-F109 HydrophobicContact CD1-CZ 3.9Å; L56-F109 HydrophobicContact CD2-CD2 4.44Å; L56-F109 HydrophobicContact CD2-CE2 4.36Å; L56-F114 HydrophobicContact CB-CB 4.41Å; L56-F114 HydrophobicContact CB-CD1 3.86Å; L56-F114 HydrophobicContact CB-CD2 3.89Å; L56-F114 HydrophobicContact CB-CE1 4.01Å; L56-F114 HydrophobicContact CB-CE2 4.05Å; L56-F114 HydrophobicContact CB-CG 3.79Å; L56-F114 HydrophobicContact CB-CZ 4.11Å; L56-F114 HydrophobicContact CD1-CE1 4.35Å; L56-F114 HydrophobicContact CD1-CE2 4.14Å; L56-F114 HydrophobicContact CD1-CZ 3.89Å; L56-F114 HydrophobicContact CD2-CD2 4.28Å; L56-F114 HydrophobicContact CD2-CE2 4.13Å; L56-F114 HydrophobicContact CG-CE2 4.33Å; L56-F114 HydrophobicContact CG-CZ 4.44Å; L56-G116 PolarHBondContact N-O 3.35Å; L56-A117 HydrophobicContact CB-CB 4.06Å; L56-A117 CarbonylContact O-C 3.58Å; L56-A117 VanDerWaalsContact O-CA 3.25Å; L56-A117 WeakPolarHBondContact O-CA 3.1Å; L56-I118 PolarHBondContact O-N 3.11Å; L56-L147 HydrophobicContact CD2-CD1 4.17Å
57D98.7Very high95Very high0 Ų032 Ų320%016%0.164CC..EExtended strand (participates in β ladder)trans-100.7103.3173.4-171.911.5000109.8C60 S65 G66 L69 W76 V77 G78 I79 I118D57-C60 HydrophobicContact CB-CB 4.06Å; D57-C60 VanDerWaalsContact OD2-CB 3.29Å; D57-C60 WeakPolarHBondContact OD2-CB 3.44Å; D57-S65 VanDerWaalsContact CG-OG 3.23Å; D57-S65 PolarHBondContact OD1-OG 2.85Å; D57-S65 VanDerWaalsContact OD1-OG 3.09Å; D57-S65 WeakPolarHBondContact OD2-CB 3.48Å; D57-S65 PolarHBondContact OD2-OG 3.3Å; D57-G66 PolarHBondContact OD2-N 3.27Å; D57-L69 HydrophobicContact CB-CD1 4.19Å; D57-W76 HydrophobicContact CB-CE3 3.93Å; D57-W76 HydrophobicContact CB-CZ3 4.43Å; D57-V77 PolarHBondContact N-O 2.87Å; D57-G78 CarbonylContact O-C 3.59Å; D57-G78 VanDerWaalsContact O-CA 3.24Å; D57-G78 WeakPolarHBondContact O-CA 3.37Å; D57-I79 PolarHBondContact O-N 3.05Å; D57-I118 HydrophobicContact CB-CG1 4.3Å
58I98.7Very high95.2Very high0 Ų030.8 Ų30.80%016%0.158CC..EExtended strand (participates in β ladder)trans-92120.7-171.7-55.5171.1000108.6L56 V103 L107 A117 I118 S119 V122 F143 L147 L159L56-I58 HydrophobicContact CD2-CD1 4.12Å; L56-I58 HydrophobicContact CD2-CG1 3.83Å; L56-I58 HydrophobicContact CG-CD1 4.46Å; L56-I58 HydrophobicContact CG-CG1 3.74Å; I58-V103 HydrophobicContact CG2-CB 4.36Å; I58-V103 HydrophobicContact CG2-CG1 3.86Å; I58-V103 HydrophobicContact CG2-CG2 4.46Å; I58-L107 HydrophobicContact CD1-CD1 4.49Å; I58-A117 HydrophobicContact CD1-CB 4.17Å; I58-I118 PolarHBondContact N-O 3.48Å; I58-S119 WeakPolarHBondContact O-CA 3.38Å; I58-S119 PolarHBondContact O-OG 2.99Å; I58-V122 VanDerWaalsContact O-CG2 3.25Å; I58-V122 WeakPolarHBondContact O-CG2 3.28Å; I58-F143 HydrophobicContact CD1-CE2 4.01Å; I58-F143 HydrophobicContact CD1-CZ 3.91Å; I58-F143 HydrophobicContact CG2-CE2 3.67Å; I58-F143 HydrophobicContact CG2-CZ 4.06Å; I58-L147 HydrophobicContact CD1-CD1 3.64Å; I58-L147 HydrophobicContact CD1-CD2 3.97Å; I58-L147 HydrophobicContact CD1-CG 4.39Å; I58-L159 HydrophobicContact CD1-CD2 4.32Å
59G97.7Very high95.5Very high14 Ų1428.8 Ų28.814%0.14415%0.145CC..THydrogen-bonded Turntrans64.854.4-168.900000111.2G61 I79 D80G59-G61 PolarHBondContact O-N 2.95Å; G59-G61 VanDerWaalsContact O-N 3.15Å; G59-I79 WeakPolarHBondContact CA-O 3.49Å; G59-I79 PolarHBondContact N-O 3.34Å; G59-D80 VanDerWaalsContact CA-OD2 3.32Å; G59-D80 WeakPolarHBondContact CA-OD2 3.49Å
60C98.1Very high96Very high4 Ų419.4 Ų19.43%0.02710%0.104CC..  trans-67.1-13.5-172.765.70000113.7D57 S62 G63 W76 G78 I79 D80D57-C60 HydrophobicContact CB-CB 4.06Å; D57-C60 VanDerWaalsContact OD2-CB 3.29Å; D57-C60 WeakPolarHBondContact OD2-CB 3.44Å; C60-S62 PolarHBondContact O-N 2.96Å; C60-G63 WeakPolarHBondContact O-CA 3.4Å; C60-G63 PolarHBondContact O-N 3.37Å; C60-W76 HydrophobicContact CB-CZ3 4.36Å; C60-G78 VanDerWaalsContact SG-C 3.55Å; C60-G78 VanDerWaalsContact SG-CA 3.56Å; C60-I79 PolarHBondContact N-O 2.85Å; C60-I79 VanDerWaalsContact N-O 3.11Å; C60-D80 PolarHBondContact N-OD2 3.09Å
61G96.5Very high96.4Very high6 Ų616 Ų166%0.0629%0.085CC..THydrogen-bonded Turntrans52.4-124.5176.900000112.8G59 G63 D80 M85G59-G61 PolarHBondContact O-N 2.95Å; G59-G61 VanDerWaalsContact O-N 3.15Å; G61-G63 PolarHBondContact O-N 3.41Å; G61-D80 VanDerWaalsContact CA-OD2 3.25Å; G61-D80 WeakPolarHBondContact CA-OD2 3.45Å; G61-D80 PolarHBondContact N-OD2 3.3Å; G61-M85 CarbonylContact O-C 3.56Å
62S95.8Very high96.6Very high3 Ų315.6 Ų15.62%0.0219%0.086CC..THydrogen-bonded Turntrans-81.412.6177.373.70000114.3C60 M85 K92C60-S62 PolarHBondContact O-N 2.96Å; S62-M85 WeakPolarHBondContact CA-O 3.16Å; S62-K92 WeakPolarHBondContact O-CD 3.37Å; S62-K92 PolarHBondContact OG-NZ 2.87Å; S62-K92 VanDerWaalsContact OG-NZ 3.1Å
63G96.1Very high96.6Very high0 Ų015.1 Ų15.10%08%0.084CC..SBendtrans81.413.5175.400000115.8C60 G61 G66 E67C60-G63 WeakPolarHBondContact O-CA 3.4Å; C60-G63 PolarHBondContact O-N 3.37Å; G61-G63 PolarHBondContact O-N 3.41Å; G63-G66 CarbonylContact O-C 3.57Å; G63-G66 PolarHBondContact O-N 3.21Å; G63-E67 WeakPolarHBondContact O-CG 3.29Å; G63-E67 PolarHBondContact O-N 3.35Å
64L95.7Very high96.6Very high11 Ų1115.4 Ų15.46%0.0589%0.085CC..Hα-helixtrans-61.5-48.5-177.6-69.3172.8000112.6Y24 V31 Q34 G66 E67 V68Y24-L64 HydrophobicContact CE1-CD1 4.08Å; V31-L64 HydrophobicContact CG1-CD2 3.95Å; V31-L64 HydrophobicContact CG2-CD1 4.14Å; V31-L64 HydrophobicContact CG2-CD2 4.41Å; Q34-L64 HydrophobicContact CB-CD1 4.46Å; L64-G66 VanDerWaalsContact C-N 3.32Å; L64-G66 PolarHBondContact O-N 3.49Å; L64-E67 WeakPolarHBondContact O-CB 3.38Å; L64-E67 PolarHBondContact O-N 2.91Å; L64-V68 PolarHBondContact O-N 3.3Å
65S97.3Very high96.5Very high10 Ų1015.6 Ų15.67%0.079%0.086CC..Hα-helixtrans-61.2-41.3174.539.10000111.6D57 E67 V68 L69D57-S65 VanDerWaalsContact CG-OG 3.23Å; D57-S65 PolarHBondContact OD1-OG 2.85Å; D57-S65 VanDerWaalsContact OD1-OG 3.09Å; D57-S65 WeakPolarHBondContact OD2-CB 3.48Å; D57-S65 PolarHBondContact OD2-OG 3.3Å; S65-E67 VanDerWaalsContact C-N 3.34Å; S65-E67 PolarHBondContact O-N 3.24Å; S65-V68 WeakPolarHBondContact O-CB 3.5Å; S65-V68 PolarHBondContact O-N 2.93Å; S65-V68 VanDerWaalsContact O-N 3.15Å; S65-L69 PolarHBondContact O-N 3.1Å; S65-L69 VanDerWaalsContact O-N 3.08Å
66G97.6Very high96.6Very high0 Ų016 Ų160%09%0.087CC..Hα-helixtrans-62.8-33173.400000114.7D57 G63 L64 L69 S70 W76D57-G66 PolarHBondContact OD2-N 3.27Å; G63-G66 CarbonylContact O-C 3.57Å; G63-G66 PolarHBondContact O-N 3.21Å; L64-G66 VanDerWaalsContact C-N 3.32Å; L64-G66 PolarHBondContact O-N 3.49Å; G66-L69 PolarHBondContact O-N 2.62Å; G66-S70 WeakPolarHBondContact O-CB 3.4Å; G66-S70 PolarHBondContact O-N 3.4Å; G66-S70 PolarHBondContact O-OG 3.17Å; G66-W76 VanDerWaalsContact CA-CZ2 3.42Å; G66-W76 PolarHBondContact O-NE1 3.47Å
67E95.5Very high96.5Very high49 Ų4917.3 Ų17.323%0.22910%0.095CC..Hα-helixtrans-63.4-42.5171.4-74.3-177.1151.500111G63 L64 S65 L69 S70 E71 V94G63-E67 WeakPolarHBondContact O-CG 3.29Å; G63-E67 PolarHBondContact O-N 3.35Å; L64-E67 WeakPolarHBondContact O-CB 3.38Å; L64-E67 PolarHBondContact O-N 2.91Å; S65-E67 VanDerWaalsContact C-N 3.34Å; S65-E67 PolarHBondContact O-N 3.24Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.02Å; E67-S70 WeakPolarHBondContact O-CB 3.36Å; E67-S70 PolarHBondContact O-N 2.97Å; E67-E71 WeakPolarHBondContact O-CB 3.3Å; E67-E71 VanDerWaalsContact O-CG 3.27Å; E67-E71 WeakPolarHBondContact O-CG 3.48Å; E67-E71 PolarHBondContact O-N 3.35Å; E67-V94 HydrophobicContact CG-CG1 4.26Å
68V96.4Very high96.5Very high4 Ų417.3 Ų17.32%0.02410%0.095CC..Hα-helixtrans-59.1-44.4174.1174.60000111.2A38 E39 L42 L64 S65 S70 E71 N72A38-V68 HydrophobicContact CB-CB 4.18Å; A38-V68 HydrophobicContact CB-CG1 4.4Å; A38-V68 HydrophobicContact CB-CG2 3.97Å; E39-V68 HydrophobicContact CB-CG1 4.35Å; E39-V68 HydrophobicContact CG-CG1 3.55Å; E39-V68 HydrophobicContact CG-CG2 4.21Å; L42-V68 HydrophobicContact CD2-CG1 4.3Å; L64-V68 PolarHBondContact O-N 3.3Å; S65-V68 WeakPolarHBondContact O-CB 3.5Å; S65-V68 PolarHBondContact O-N 2.93Å; S65-V68 VanDerWaalsContact O-N 3.15Å; V68-S70 VanDerWaalsContact C-N 3.34Å; V68-S70 PolarHBondContact O-N 2.89Å; V68-E71 PolarHBondContact O-N 3.08Å; V68-N72 PolarHBondContact O-N 3.15Å; V68-N72 VanDerWaalsContact O-N 3.09Å; V68-N72 PolarHBondContact O-ND2 3.27Å
69L97.3Very high96.5Very high0 Ų017.3 Ų17.30%010%0.095CC..Hα-helixtrans-59.8-44.5175.3-65.1177.7000111.9L42 I55 D57 S65 G66 E67 N72 G73 H74 W76 I118L42-L69 HydrophobicContact CD1-CD2 3.83Å; L42-L69 HydrophobicContact CD2-CD2 4.38Å; I55-L69 HydrophobicContact CB-CD1 4.05Å; I55-L69 HydrophobicContact CB-CD2 4.38Å; I55-L69 HydrophobicContact CG1-CD2 4.46Å; I55-L69 HydrophobicContact CG2-CD1 3.77Å; I55-L69 HydrophobicContact CG2-CD2 3.99Å; D57-L69 HydrophobicContact CB-CD1 4.19Å; S65-L69 PolarHBondContact O-N 3.1Å; S65-L69 VanDerWaalsContact O-N 3.08Å; G66-L69 PolarHBondContact O-N 2.62Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.02Å; L69-N72 CarbonylContact O-C 3.53Å; L69-N72 PolarHBondContact O-N 2.84Å; L69-G73 PolarHBondContact O-N 3.42Å; L69-H74 HydrophobicContact CB-CB 4.48Å; L69-H74 PolarHBondContact O-N 3.2Å; L69-W76 HydrophobicContact CB-CB 4.42Å; L69-W76 HydrophobicContact CB-CG 4.17Å; L69-W76 HydrophobicContact CD1-CB 3.63Å; L69-W76 HydrophobicContact CD1-CD2 4.46Å; L69-W76 HydrophobicContact CD1-CG 3.9Å; L69-I118 HydrophobicContact CD1-CD1 3.75Å; L69-I118 HydrophobicContact CD1-CG1 4.14Å; L69-I118 HydrophobicContact CD2-CD1 3.91Å; L69-I118 HydrophobicContact CG-CD1 3.84Å
70S95.4Very high96.6Very high4 Ų417.5 Ų17.53%0.0289%0.093CC..Hα-helixtrans-64.4-41.5179.6-53.80000112.1G66 E67 V68 N72 G73 W76G66-S70 WeakPolarHBondContact O-CB 3.4Å; G66-S70 PolarHBondContact O-N 3.4Å; G66-S70 PolarHBondContact O-OG 3.17Å; E67-S70 WeakPolarHBondContact O-CB 3.36Å; E67-S70 PolarHBondContact O-N 2.97Å; V68-S70 VanDerWaalsContact C-N 3.34Å; V68-S70 PolarHBondContact O-N 2.89Å; S70-N72 VanDerWaalsContact C-N 3.28Å; S70-N72 PolarHBondContact O-N 2.93Å; S70-G73 PolarHBondContact O-N 3.45Å; S70-G73 VanDerWaalsContact O-N 3.08Å; S70-W76 PolarHBondContact OG-NE1 2.91Å
71E93Very high96.5Very high39 Ų3919.3 Ų19.318%0.18210%0.104CC..Hα-helixtrans-68.3-27.7179.6-74.9-175.2167.800113.1E67 V68 G73 K234 W239E67-E71 WeakPolarHBondContact O-CB 3.3Å; E67-E71 VanDerWaalsContact O-CG 3.27Å; E67-E71 WeakPolarHBondContact O-CG 3.48Å; E67-E71 PolarHBondContact O-N 3.35Å; V68-E71 PolarHBondContact O-N 3.08Å; E71-G73 VanDerWaalsContact C-N 3.28Å; E71-K234 HydrophobicContact CB-CD 4.2Å; E71-K234 WeakPolarHBondContact OE2-CE 3.46Å; E71-K234 IonicContact OE2-NZ 2.77Å; E71-K234 PolarHBondContact OE2-NZ 3.44Å; E71-W239 HydrophobicContact CG-CZ2 4.43Å
72N93.5Very high96.5Very high84 Ų8419.1 Ų19.145%0.44910%0.101SC..THydrogen-bonded Turntrans-89.510.8171.9-72.5-78.4000113.1L42 V68 L69 S70L42-N72 HydrophobicContact CD2-CB 3.51Å; L42-N72 WeakPolarHBondContact CD2-ND2 3.24Å; V68-N72 PolarHBondContact O-N 3.15Å; V68-N72 VanDerWaalsContact O-N 3.09Å; V68-N72 PolarHBondContact O-ND2 3.27Å; L69-N72 CarbonylContact O-C 3.53Å; L69-N72 PolarHBondContact O-N 2.84Å; S70-N72 VanDerWaalsContact C-N 3.28Å; S70-N72 PolarHBondContact O-N 2.93Å
73G93.6Very high96.5Very high11 Ų1126.8 Ų26.811%0.11313%0.134CC..THydrogen-bonded Turntrans83.110.5170.100000115.2S52 L69 S70 E71S52-G73 VanDerWaalsContact CB-O 3.24Å; S52-G73 WeakPolarHBondContact CB-O 3.23Å; S52-G73 PolarHBondContact OG-O 2.7Å; L69-G73 PolarHBondContact O-N 3.42Å; S70-G73 PolarHBondContact O-N 3.45Å; S70-G73 VanDerWaalsContact O-N 3.08Å; E71-G73 VanDerWaalsContact C-N 3.28Å
74H96.3Very high96.5Very high15 Ų1527.8 Ų27.87%0.06914%0.143CC..  trans-87.2157.7176.1-55.9-68.9000111.8C53 I55 L69 K231C53-H74 PolarHBondContact N-ND1 2.65Å; C53-H74 WeakPolarHBondContact O-CB 3.1Å; I55-H74 HydrophobicContact CG1-CB 4.1Å; L69-H74 HydrophobicContact CB-CB 4.48Å; L69-H74 PolarHBondContact O-N 3.2Å; H74-K231 PolarHBondContact O-NZ 2.88Å
75F97.6Very high96.6Very high74 Ų7427.8 Ų27.833%0.32514%0.142SC..EExtended strand (participates in β ladder)trans-96.9147.9167.1-60.9-85.2000107.9C53 F54 I55 I228C53-F75 PolarHBondContact O-N 2.86Å; C53-F75 VanDerWaalsContact O-O 3.13Å; F54-F75 CarbonylContact C-O 3.58Å; F54-F75 WeakPolarHBondContact CA-O 3.27Å; F54-F75 HydrophobicContact CD2-CB 3.78Å; F54-F75 HydrophobicContact CE2-CB 4.47Å; I55-F75 PolarHBondContact N-O 3.36Å; F75-I228 HydrophobicContact CD2-CG2 4.28Å; F75-I228 HydrophobicContact CE2-CG2 3.41Å; F75-I228 VanDerWaalsContact CE2-CG2 3.41Å; F75-I228 HydrophobicContact CZ-CG2 4.08Å
76W98.4Very high96.6Very high7 Ų728 Ų283%0.02714%0.143CC..EExtended strand (participates in β ladder)trans-152.5156.6-178.162.8-79.4000112.9I55 D57 C60 G66 L69 S70 V94 G96 G97 L98I55-W76 HydrophobicContact CB-CB 4.45Å; I55-W76 WeakPolarHBondContact O-CA 3.39Å; I55-W76 VanDerWaalsContact O-CB 3.23Å; I55-W76 WeakPolarHBondContact O-CB 3.25Å; D57-W76 HydrophobicContact CB-CE3 3.93Å; D57-W76 HydrophobicContact CB-CZ3 4.43Å; C60-W76 HydrophobicContact CB-CZ3 4.36Å; G66-W76 VanDerWaalsContact CA-CZ2 3.42Å; G66-W76 PolarHBondContact O-NE1 3.47Å; L69-W76 HydrophobicContact CB-CB 4.42Å; L69-W76 HydrophobicContact CB-CG 4.17Å; L69-W76 HydrophobicContact CD1-CB 3.63Å; L69-W76 HydrophobicContact CD1-CD2 4.46Å; L69-W76 HydrophobicContact CD1-CG 3.9Å; S70-W76 PolarHBondContact OG-NE1 2.91Å; W76-V94 HydrophobicContact CH2-CB 4.18Å; W76-V94 HydrophobicContact CH2-CG2 3.93Å; W76-V94 HydrophobicContact CZ2-CB 4Å; W76-V94 HydrophobicContact CZ2-CG2 4.17Å; W76-G96 VanDerWaalsContact CZ2-CA 3.5Å; W76-G96 VanDerWaalsContact CZ2-N 3.3Å; W76-G96 VanDerWaalsContact O-CA 3.25Å; W76-G96 WeakPolarHBondContact O-CA 3.46Å; W76-G97 PolarHBondContact O-N 3.25Å; W76-L98 HydrophobicContact CH2-CD2 4.06Å; W76-L98 HydrophobicContact CZ3-CD2 4.08Å
77V98.5Very high96.5Very high28 Ų2829.4 Ų29.417%0.1716%0.157CC..EExtended strand (participates in β ladder)trans-123.4132.5165171.10000107.1F54 I55 D57 G97 F109 F114F54-V77 HydrophobicContact CE2-CG2 3.82Å; F54-V77 HydrophobicContact CZ-CB 4.39Å; F54-V77 HydrophobicContact CZ-CG2 3.57Å; I55-V77 PolarHBondContact O-N 3.1Å; I55-V77 VanDerWaalsContact O-N 3.15Å; D57-V77 PolarHBondContact N-O 2.87Å; V77-G97 CarbonylContact C-O 3.52Å; V77-G97 WeakPolarHBondContact CA-O 3.29Å; V77-F109 HydrophobicContact CG1-CE1 3.88Å; V77-F109 HydrophobicContact CG1-CZ 3.81Å; V77-F114 HydrophobicContact CB-CE1 4.36Å
78G98.5Very high96.5Very high0 Ų027.7 Ų27.70%015%0.15CC..EExtended strand (participates in β ladder)trans-102.9140.3176.100000111.7D57 C60 G97 L99D57-G78 CarbonylContact O-C 3.59Å; D57-G78 VanDerWaalsContact O-CA 3.24Å; D57-G78 WeakPolarHBondContact O-CA 3.37Å; C60-G78 VanDerWaalsContact SG-C 3.55Å; C60-G78 VanDerWaalsContact SG-CA 3.56Å; G78-G97 PolarHBondContact N-O 3.15Å; G78-L99 PolarHBondContact O-N 3.28Å
79I98.7Very high96.5Very high1 Ų127.5 Ų27.51%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-118.5132.3169.3-174.3170.2000109.4L56 D57 G59 C60 L99 V103 L107 P108L56-I79 HydrophobicContact CD1-CG2 4.38Å; D57-I79 PolarHBondContact O-N 3.05Å; G59-I79 WeakPolarHBondContact CA-O 3.49Å; G59-I79 PolarHBondContact N-O 3.34Å; C60-I79 PolarHBondContact N-O 2.85Å; C60-I79 VanDerWaalsContact N-O 3.11Å; I79-L99 VanDerWaalsContact CA-O 3.3Å; I79-L99 WeakPolarHBondContact CA-O 3.4Å; I79-L99 HydrophobicContact CB-CB 4.46Å; I79-L99 HydrophobicContact CD1-CD2 3.92Å; I79-L99 HydrophobicContact CG1-CB 4.45Å; I79-L99 HydrophobicContact CG1-CD2 4.24Å; I79-L99 HydrophobicContact CG1-CG 4.4Å; I79-V103 HydrophobicContact CD1-CG1 4.11Å; I79-V103 HydrophobicContact CG1-CG1 4.24Å; I79-V103 HydrophobicContact CG2-CG1 3.71Å; I79-L107 HydrophobicContact CD1-CD2 4.23Å; I79-L107 HydrophobicContact CG2-CD2 3.96Å; I79-P108 HydrophobicContact CD1-CG 4.43Å
80D98.4Very high96.4Very high18 Ų1832.2 Ų32.210%0.09618%0.178CC..EExtended strand (participates in β ladder)trans-142.9153.6173.3-157.2-80.6000110.8G59 C60 G61 S82 L86 L99 L100 G101G59-D80 VanDerWaalsContact CA-OD2 3.32Å; G59-D80 WeakPolarHBondContact CA-OD2 3.49Å; C60-D80 PolarHBondContact N-OD2 3.09Å; G61-D80 VanDerWaalsContact CA-OD2 3.25Å; G61-D80 WeakPolarHBondContact CA-OD2 3.45Å; G61-D80 PolarHBondContact N-OD2 3.3Å; D80-S82 WeakPolarHBondContact OD1-CB 3.23Å; D80-S82 PolarHBondContact OD1-N 3.16Å; D80-L86 HydrophobicContact CB-CD1 4.36Å; D80-L86 HydrophobicContact CB-CD2 3.73Å; D80-L86 HydrophobicContact CB-CG 3.96Å; D80-L99 PolarHBondContact N-O 2.89Å; D80-L100 CarbonylContact O-C 3.38Å; D80-L100 WeakPolarHBondContact O-CA 3.37Å; D80-G101 CarbonylContact C-O 3.51Å; D80-G101 PolarHBondContact O-N 3.44Å
81V96.3Very high96.2Very high42 Ų4238.6 Ų38.626%0.25521%0.207SC..SBendtrans-89.1-22.8-18072.30000112.1P12 A13 L100 G101 D102P12-V81 HydrophobicContact CB-CG1 3.82Å; P12-V81 HydrophobicContact CG-CG1 3.79Å; A13-V81 HydrophobicContact CB-CG1 4.45Å; A13-V81 HydrophobicContact CB-CG2 3.93Å; V81-L100 WeakPolarHBondContact O-CD1 3.34Å; V81-G101 PolarHBondContact N-O 3Å; V81-D102 HydrophobicContact CG2-CB 4.08Å
82S96Very high96.1Very high1 Ų138.8 Ų38.81%0.00721%0.207CC..  trans-87112.9178.9170.80000111.2Y16 D80 A84 M85 L86Y16-S82 PolarHBondContact O-OG 3.36Å; D80-S82 WeakPolarHBondContact OD1-CB 3.23Å; D80-S82 PolarHBondContact OD1-N 3.16Å; S82-A84 VanDerWaalsContact C-N 3.27Å; S82-A84 PolarHBondContact O-N 2.95Å; S82-A84 PolarHBondContact OG-N 3.16Å; S82-M85 PolarHBondContact O-N 3.12Å; S82-M85 WeakPolarHBondContact OG-CG 3.16Å; S82-M85 PolarHBondContact OG-N 2.82Å; S82-M85 VanDerWaalsContact OG-N 3.11Å; S82-L86 WeakPolarHBondContact O-CG 3.41Å; S82-L86 PolarHBondContact O-N 3.04Å; S82-L86 VanDerWaalsContact O-N 3.14Å
83K96.7Very high96Very high165 Ų16537.1 Ų37.172%0.71720%0.198SC*.Hα-helixtrans-60.2-37.1172.4-173.5-179.8178.7-1750112.2L86 G87 L100K83-L86 PolarHBondContact O-N 3.3Å; K83-G87 PolarHBondContact O-N 2.91Å; K83-L100 HydrophobicContact CB-CD1 4.23Å
84A96.4Very high96.1Very high21 Ų2137.4 Ų37.417%0.17420%0.198CC..Hα-helixtrans-66.5-43.6179.600000111.7Y16 D17 E18 A21 S82 L86 G87 V88Y16-A84 WeakPolarHBondContact O-CB 3.5Å; D17-A84 VanDerWaalsContact C-CB 3.49Å; E18-A84 HydrophobicContact CG-CB 4.18Å; A21-A84 HydrophobicContact CB-CB 4.02Å; S82-A84 VanDerWaalsContact C-N 3.27Å; S82-A84 PolarHBondContact O-N 2.95Å; S82-A84 PolarHBondContact OG-N 3.16Å; A84-L86 PolarHBondContact O-N 3.46Å; A84-G87 PolarHBondContact O-N 3.16Å; A84-G87 VanDerWaalsContact O-N 3.15Å; A84-V88 PolarHBondContact O-N 3.14Å; A84-V88 VanDerWaalsContact O-N 3.08Å
85M96.7Very high96Very high10 Ų1039.8 Ų39.85%0.04921%0.209CC..Hα-helixtrans-61.9-44176.3-70.7-72.5-88.900111.6Y16 A21 Y24 G61 S62 S82 G87 V88 A89Y16-M85 HydrophobicContact CD1-CE 4.34Å; Y16-M85 HydrophobicContact CD1-CG 4.46Å; Y16-M85 HydrophobicContact CD1-SD 4.12Å; Y16-M85 HydrophobicContact CG-CG 4.14Å; Y16-M85 HydrophobicContact CG-SD 4.39Å; A21-M85 HydrophobicContact CB-CG 4.11Å; A21-M85 HydrophobicContact CB-SD 3.64Å; Y24-M85 HydrophobicContact CD1-CE 4.04Å; Y24-M85 HydrophobicContact CE1-CE 4.22Å; Y24-M85 HydrophobicContact CG-CE 4.47Å; G61-M85 CarbonylContact O-C 3.56Å; S62-M85 WeakPolarHBondContact CA-O 3.16Å; S82-M85 PolarHBondContact O-N 3.12Å; S82-M85 WeakPolarHBondContact OG-CG 3.16Å; S82-M85 PolarHBondContact OG-N 2.82Å; S82-M85 VanDerWaalsContact OG-N 3.11Å; M85-G87 VanDerWaalsContact C-N 3.31Å; M85-G87 PolarHBondContact O-N 3.15Å; M85-V88 WeakPolarHBondContact O-CB 3.46Å; M85-V88 PolarHBondContact O-N 3.4Å; M85-A89 PolarHBondContact O-N 3.45Å
86L97.4Very high95.9Very high15 Ų1536.9 Ų36.98%0.07920%0.2CC..Hα-helixtrans-63.3-36.2173.8-66.4179.1000112.5D80 S82 K83 A84 V88 A89 V90 L98 L100D80-L86 HydrophobicContact CB-CD1 4.36Å; D80-L86 HydrophobicContact CB-CD2 3.73Å; D80-L86 HydrophobicContact CB-CG 3.96Å; S82-L86 WeakPolarHBondContact O-CG 3.41Å; S82-L86 PolarHBondContact O-N 3.04Å; S82-L86 VanDerWaalsContact O-N 3.14Å; K83-L86 PolarHBondContact O-N 3.3Å; A84-L86 PolarHBondContact O-N 3.46Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 3.38Å; L86-A89 WeakPolarHBondContact O-CB 3.48Å; L86-A89 PolarHBondContact O-N 3.24Å; L86-A89 VanDerWaalsContact O-N 3.1Å; L86-V90 WeakPolarHBondContact O-CG2 3.25Å; L86-V90 PolarHBondContact O-N 3.44Å; L86-L98 HydrophobicContact CD2-CB 4.3Å; L86-L98 HydrophobicContact CD2-CD2 4.14Å; L86-L100 HydrophobicContact CD1-CB 3.85Å; L86-L100 HydrophobicContact CD1-CD1 3.9Å
87G96.4Very high95.9Very high30 Ų3038.2 Ų38.231%0.30922%0.216SC..Hα-helixtrans-56.8-46172.800000111.9K83 A84 M85 A89 V90 E91K83-G87 PolarHBondContact O-N 2.91Å; A84-G87 PolarHBondContact O-N 3.16Å; A84-G87 VanDerWaalsContact O-N 3.15Å; M85-G87 VanDerWaalsContact C-N 3.31Å; M85-G87 PolarHBondContact O-N 3.15Å; G87-A89 VanDerWaalsContact C-N 3.32Å; G87-A89 PolarHBondContact O-N 3.48Å; G87-V90 PolarHBondContact O-N 3.08Å; G87-E91 WeakPolarHBondContact O-CG 3.37Å; G87-E91 PolarHBondContact O-N 3.11Å
88V95Very high95.9Very high13 Ų1339.5 Ų39.58%0.07922%0.222CC..Hα-helixtrans-62-39.5174179.90000111.6A21 A25 A84 M85 L86 V90 E91 K92A21-V88 HydrophobicContact CB-CG2 4.09Å; A25-V88 HydrophobicContact CB-CG1 3.71Å; A84-V88 PolarHBondContact O-N 3.14Å; A84-V88 VanDerWaalsContact O-N 3.08Å; M85-V88 WeakPolarHBondContact O-CB 3.46Å; M85-V88 PolarHBondContact O-N 3.4Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 3.38Å; V88-V90 VanDerWaalsContact C-N 3.34Å; V88-V90 PolarHBondContact O-N 3.47Å; V88-E91 PolarHBondContact O-N 3.05Å; V88-K92 HydrophobicContact CG1-CD 4.15Å; V88-K92 HydrophobicContact CG1-CG 4.46Å; V88-K92 WeakPolarHBondContact O-CB 3.47Å; V88-K92 VanDerWaalsContact O-CG 3.29Å; V88-K92 WeakPolarHBondContact O-CG 3.43Å; V88-K92 PolarHBondContact O-N 3.21Å
89A95.9Very high95.8Very high0 Ų042.3 Ų42.30%024%0.237CC..Hα-helixtrans-63-39.8176.400000112.1M85 L86 G87 K92 D93 V94 L98M85-A89 PolarHBondContact O-N 3.45Å; L86-A89 WeakPolarHBondContact O-CB 3.48Å; L86-A89 PolarHBondContact O-N 3.24Å; L86-A89 VanDerWaalsContact O-N 3.1Å; G87-A89 VanDerWaalsContact C-N 3.32Å; G87-A89 PolarHBondContact O-N 3.48Å; A89-K92 CarbonylContact O-C 3.47Å; A89-K92 PolarHBondContact O-N 2.79Å; A89-D93 PolarHBondContact O-N 2.9Å; A89-V94 HydrophobicContact CB-CG1 4.47Å; A89-V94 HydrophobicContact CB-CG2 4.16Å; A89-V94 WeakPolarHBondContact O-CG1 3.32Å; A89-V94 PolarHBondContact O-N 2.8Å; A89-L98 HydrophobicContact CB-CD1 3.62Å; A89-L98 HydrophobicContact CB-CD2 4.23Å
90V95.3Very high95.8Very high99 Ų9947 Ų4760%0.626%0.261SS*.Hα-helixtrans-64.5-45.9174.5172.40000111.1L86 G87 V88 K92 D93 L98L86-V90 WeakPolarHBondContact O-CG2 3.25Å; L86-V90 PolarHBondContact O-N 3.44Å; G87-V90 PolarHBondContact O-N 3.08Å; V88-V90 VanDerWaalsContact C-N 3.34Å; V88-V90 PolarHBondContact O-N 3.47Å; V90-K92 PolarHBondContact O-N 3.14Å; V90-D93 WeakPolarHBondContact O-CA 3.1Å; V90-D93 PolarHBondContact O-N 3.36Å; V90-L98 HydrophobicContact CG2-CD1 3.75Å
91E92.2Very high95.7Very high138 Ų13847 Ų4765%0.64527%0.266SS*.Hα-helixtrans-61.1-33.1175.5-71.1174.9-173.700112.3G87 V88 D93G87-E91 WeakPolarHBondContact O-CG 3.37Å; G87-E91 PolarHBondContact O-N 3.11Å; V88-E91 PolarHBondContact O-N 3.05Å; E91-D93 PolarHBondContact O-N 3.1Å
92K90.3Very high95.7Very high43 Ų4347.2 Ų47.219%0.18727%0.266CS..THydrogen-bonded Turntrans-74.6-1.3171.7-72.9175.4179.6-179.60113.5S62 V88 A89 V90 V94 Q246 K250S62-K92 WeakPolarHBondContact O-CD 3.37Å; S62-K92 PolarHBondContact OG-NZ 2.87Å; S62-K92 VanDerWaalsContact OG-NZ 3.1Å; V88-K92 HydrophobicContact CG1-CD 4.15Å; V88-K92 HydrophobicContact CG1-CG 4.46Å; V88-K92 WeakPolarHBondContact O-CB 3.47Å; V88-K92 VanDerWaalsContact O-CG 3.29Å; V88-K92 WeakPolarHBondContact O-CG 3.43Å; V88-K92 PolarHBondContact O-N 3.21Å; A89-K92 CarbonylContact O-C 3.47Å; A89-K92 PolarHBondContact O-N 2.79Å; V90-K92 PolarHBondContact O-N 3.14Å; K92-V94 HydrophobicContact CB-CG1 4.03Å; K92-V94 PolarHBondContact O-N 3.28Å; K92-Q246 PolarHBondContact O-NE2 3.16Å; K92-K250 VanDerWaalsContact C-NZ 3.33Å; K92-K250 VanDerWaalsContact O-CE 3.26Å; K92-K250 WeakPolarHBondContact O-CE 3.31Å; K92-K250 PolarHBondContact O-NZ 3.48Å
93D92.3Very high95.8Very high48 Ų4847.7 Ų47.726%0.25727%0.268SS..THydrogen-bonded Turntrans47.945.6178.4-166.637.4000111.3A89 V90 E91 Q246 R249 K250A89-D93 PolarHBondContact O-N 2.9Å; V90-D93 WeakPolarHBondContact O-CA 3.1Å; V90-D93 PolarHBondContact O-N 3.36Å; E91-D93 PolarHBondContact O-N 3.1Å; D93-Q246 HydrophobicContact CB-CG 4.27Å; D93-Q246 PolarHBondContact O-NE2 3.43Å; D93-Q246 WeakPolarHBondContact OD2-CG 3.25Å; D93-R249 IonicContact OD1-NH2 3.73Å; D93-R249 IonicContact OD2-NE 3.77Å; D93-K250 HydrophobicContact CB-CD 4.47Å; D93-K250 HydrophobicContact CB-CG 4.44Å
94V94.5Very high95.7Very high18 Ų1840 Ų4011%0.10924%0.236CC..  trans-61.8150.5-179.1-62.80000110.9E67 W76 A89 K92 L98E67-V94 HydrophobicContact CG-CG1 4.26Å; W76-V94 HydrophobicContact CH2-CB 4.18Å; W76-V94 HydrophobicContact CH2-CG2 3.93Å; W76-V94 HydrophobicContact CZ2-CB 4Å; W76-V94 HydrophobicContact CZ2-CG2 4.17Å; A89-V94 HydrophobicContact CB-CG1 4.47Å; A89-V94 HydrophobicContact CB-CG2 4.16Å; A89-V94 WeakPolarHBondContact O-CG1 3.32Å; A89-V94 PolarHBondContact O-N 2.8Å; K92-V94 HydrophobicContact CB-CG1 4.03Å; K92-V94 PolarHBondContact O-N 3.28Å; V94-L98 HydrophobicContact CG2-CD1 3.85Å; V94-L98 HydrophobicContact CG2-CD2 4.07Å; V94-L98 HydrophobicContact CG2-CG 4.12Å
95E94.3Very high95.6Very high64 Ų6443 Ų4330%0.29925%0.254SS..SBendtrans-77-22.3-173.8-68.9172.6-134.400114.4K231 R242E95-K231 IonicContact OE2-NZ 2.63Å; E95-K231 PolarHBondContact OE2-NZ 3.36Å; E95-R242 IonicContact OE1-CZ 2.82Å; E95-R242 IonicContact OE1-NH1 2.78Å; E95-R242 PolarHBondContact OE1-NH1 3.1Å; E95-R242 IonicContact OE1-NH2 3.94Å; E95-R242 PolarHBondContact OE1-NH2 2.83Å; E95-R242 IonicContact OE2-CZ 3.62Å; E95-R242 IonicContact OE2-NH1 3.79Å; E95-R242 IonicContact OE2-NH2 3.74Å
96G95.9Very high95.6Very high13 Ų1343 Ų4313%0.13426%0.258CS..SBendtrans-79.6159.6-176.600000112.9W76W76-G96 VanDerWaalsContact CZ2-CA 3.5Å; W76-G96 VanDerWaalsContact CZ2-N 3.3Å; W76-G96 VanDerWaalsContact O-CA 3.25Å; W76-G96 WeakPolarHBondContact O-CA 3.46Å
97G97.5Very high95.6Very high36 Ų3643 Ų4337%0.37126%0.258SS..EExtended strand (participates in β ladder)trans-69.4142.8166.200000110.3W76 V77 G78W76-G97 PolarHBondContact O-N 3.25Å; V77-G97 CarbonylContact C-O 3.52Å; V77-G97 WeakPolarHBondContact CA-O 3.29Å; G78-G97 PolarHBondContact N-O 3.15Å
98L98.4Very high95.7Very high55 Ų5545.8 Ų45.829%0.28827%0.27SS..EExtended strand (participates in β ladder)trans-117.6134.1179.5-63.5175.7000110.1W76 L86 A89 V90 V94W76-L98 HydrophobicContact CH2-CD2 4.06Å; W76-L98 HydrophobicContact CZ3-CD2 4.08Å; L86-L98 HydrophobicContact CD2-CB 4.3Å; L86-L98 HydrophobicContact CD2-CD2 4.14Å; A89-L98 HydrophobicContact CB-CD1 3.62Å; A89-L98 HydrophobicContact CB-CD2 4.23Å; V90-L98 HydrophobicContact CG2-CD1 3.75Å; V94-L98 HydrophobicContact CG2-CD1 3.85Å; V94-L98 HydrophobicContact CG2-CD2 4.07Å; V94-L98 HydrophobicContact CG2-CG 4.12Å
99L98.2Very high95.8Very high59 Ų5947.6 Ų47.631%0.30928%0.277SS..EExtended strand (participates in β ladder)trans-128.3128.1179.2-177.467.3000110.3G78 I79 D80 P108 F109G78-L99 PolarHBondContact O-N 3.28Å; I79-L99 VanDerWaalsContact CA-O 3.3Å; I79-L99 WeakPolarHBondContact CA-O 3.4Å; I79-L99 HydrophobicContact CB-CB 4.46Å; I79-L99 HydrophobicContact CD1-CD2 3.92Å; I79-L99 HydrophobicContact CG1-CB 4.45Å; I79-L99 HydrophobicContact CG1-CD2 4.24Å; I79-L99 HydrophobicContact CG1-CG 4.4Å; D80-L99 PolarHBondContact N-O 2.89Å; L99-P108 HydrophobicContact CD2-CG 3.43Å; L99-P108 VanDerWaalsContact CD2-CG 3.43Å; L99-F109 HydrophobicContact CD2-CE1 4.29Å; L99-F109 HydrophobicContact CD2-CE2 4.48Å; L99-F109 HydrophobicContact CD2-CZ 3.82Å
100L98.2Very high95.9Very high98 Ų9855.6 Ų55.651%0.51331%0.307SS..EExtended strand (participates in β ladder)trans-79.8121.1167.7-178.168000109.2D80 V81 K83 L86D80-L100 CarbonylContact O-C 3.38Å; D80-L100 WeakPolarHBondContact O-CA 3.37Å; V81-L100 WeakPolarHBondContact O-CD1 3.34Å; K83-L100 HydrophobicContact CB-CD1 4.23Å; L86-L100 HydrophobicContact CD1-CB 3.85Å; L86-L100 HydrophobicContact CD1-CD1 3.9Å
101G97Very high96Very high20 Ų2054.5 Ų54.521%0.20631%0.308CS..  trans-175.3150.1176.800000114.9D80 V81D80-G101 CarbonylContact C-O 3.51Å; D80-G101 PolarHBondContact O-N 3.44Å; V81-G101 PolarHBondContact N-O 3Å
102D95.6Very high96.3Very high46 Ų4649.4 Ų49.425%0.24629%0.293CS..  trans-87.3111.4173.4-178.73.1000110.6V81 G104 C105 R139V81-D102 HydrophobicContact CG2-CB 4.08Å; D102-G104 PolarHBondContact O-N 3.42Å; D102-G104 PolarHBondContact OD1-N 2.76Å; D102-C105 WeakPolarHBondContact O-CB 3.39Å; D102-C105 PolarHBondContact O-N 2.95Å; D102-R139 VanDerWaalsContact CG-NH2 3.25Å; D102-R139 IonicContact OD1-CZ 3.08Å; D102-R139 IonicContact OD1-NH1 2.66Å; D102-R139 IonicContact OD1-NH2 3.87Å; D102-R139 PolarHBondContact OD1-NH2 3.18Å; D102-R139 IonicContact OD2-CZ 3.49Å; D102-R139 VanDerWaalsContact OD2-CZ 3.29Å; D102-R139 IonicContact OD2-NH1 3.24Å; D102-R139 PolarHBondContact OD2-NH1 3.2Å; D102-R139 IonicContact OD2-NH2 2.81Å; D102-R139 PolarHBondContact OD2-NH2 3.11Å
103V97.1Very high96.7Very high11 Ų1147.8 Ų47.87%0.06729%0.287CS..G310 helixtrans-64.8-20.4179.9-57.60000112.8I58 I79 C105 G106 L107 V122 L126 F143I58-V103 HydrophobicContact CG2-CB 4.36Å; I58-V103 HydrophobicContact CG2-CG1 3.86Å; I58-V103 HydrophobicContact CG2-CG2 4.46Å; I79-V103 HydrophobicContact CD1-CG1 4.11Å; I79-V103 HydrophobicContact CG1-CG1 4.24Å; I79-V103 HydrophobicContact CG2-CG1 3.71Å; V103-C105 PolarHBondContact O-N 2.64Å; V103-G106 PolarHBondContact O-N 3.09Å; V103-G106 VanDerWaalsContact O-N 3.09Å; V103-L107 HydrophobicContact CB-CD2 4.46Å; V103-L107 HydrophobicContact CG1-CD2 4.05Å; V103-V122 HydrophobicContact CG2-CG1 4.47Å; V103-L126 HydrophobicContact CG2-CD1 4.25Å; V103-L126 HydrophobicContact CG2-CD2 4.11Å; V103-L126 HydrophobicContact CG2-CG 4.47Å; V103-F143 HydrophobicContact CB-CD2 3.89Å; V103-F143 HydrophobicContact CB-CE2 4.14Å; V103-F143 HydrophobicContact CG2-CD2 4.14Å; V103-F143 HydrophobicContact CG2-CE2 4.34Å
104G94.9Very high96.9Very high4 Ų445.6 Ų45.64%0.04128%0.276CS..G310 helixtrans-69.2-20172.100000113.9D102 G106D102-G104 PolarHBondContact O-N 3.42Å; D102-G104 PolarHBondContact OD1-N 2.76Å; G104-G106 VanDerWaalsContact C-N 3.3Å
105C94.5Very high97.1Very high82 Ų8248.5 Ų48.555%0.55429%0.288SS*.G310 helixtrans-83.6-8.7170.8-61.90000112.8D102 V103 R142D102-C105 WeakPolarHBondContact O-CB 3.39Å; D102-C105 PolarHBondContact O-N 2.95Å; V103-C105 PolarHBondContact O-N 2.64Å; C105-R142 VanDerWaalsContact C-CG 3.5Å; C105-R142 WeakPolarHBondContact O-CG 3.39Å; C105-R142 PolarHBondContact O-NE 3.34Å
106G96.9Very high97.2Very high12 Ų1245.5 Ų45.512%0.12427%0.274CS..  trans101.8159.4-176.700000112.8V103 G104 S146V103-G106 PolarHBondContact O-N 3.09Å; V103-G106 VanDerWaalsContact O-N 3.09Å; G104-G106 VanDerWaalsContact C-N 3.3Å; G106-S146 WeakPolarHBondContact CA-OG 3.44Å
107L98.3Very high97.4Very high14 Ų1444.9 Ų44.97%0.07327%0.267CS..  trans-85.8126.2-176.2-68.6167.4000111.5L56 I58 I79 V103 F109 F143 S146 L147L56-L107 HydrophobicContact CD2-CD1 3.72Å; L56-L107 HydrophobicContact CD2-CD2 4.1Å; L56-L107 HydrophobicContact CD2-CG 4.46Å; I58-L107 HydrophobicContact CD1-CD1 4.49Å; I79-L107 HydrophobicContact CD1-CD2 4.23Å; I79-L107 HydrophobicContact CG2-CD2 3.96Å; V103-L107 HydrophobicContact CB-CD2 4.46Å; V103-L107 HydrophobicContact CG1-CD2 4.05Å; L107-F109 VanDerWaalsContact C-N 3.27Å; L107-F109 HydrophobicContact CB-CD2 4.16Å; L107-F109 HydrophobicContact CD2-CE2 4.41Å; L107-F109 PolarHBondContact O-N 3.48Å; L107-F109 VanDerWaalsContact O-N 3.12Å; L107-F143 HydrophobicContact CD1-CE2 4.47Å; L107-S146 VanDerWaalsContact N-CB 3.33Å; L107-S146 PolarHBondContact N-OG 3.04Å; L107-L147 HydrophobicContact CD1-CB 3.73Å; L107-L147 HydrophobicContact CD1-CD1 3.75Å; L107-L147 HydrophobicContact CD1-CG 4.32Å
108P97.7Very high97.4Very high88 Ų8843.1 Ų43.157%0.57125%0.25SC*.  trans-89.846.2-17237.7-38.1000112.7I79 L99I79-P108 HydrophobicContact CD1-CG 4.43Å; L99-P108 HydrophobicContact CD2-CG 3.43Å; L99-P108 VanDerWaalsContact CD2-CG 3.43Å
109F98Very high97.4Very high52 Ų5240.5 Ų40.523%0.22824%0.236CC..SBendtrans-118.2154.8179.8-54.5-77.8000111.4L56 V77 L99 L107 F114L56-F109 HydrophobicContact CD1-CD2 4.2Å; L56-F109 HydrophobicContact CD1-CE2 3.49Å; L56-F109 VanDerWaalsContact CD1-CE2 3.49Å; L56-F109 HydrophobicContact CD1-CZ 3.9Å; L56-F109 HydrophobicContact CD2-CD2 4.44Å; L56-F109 HydrophobicContact CD2-CE2 4.36Å; V77-F109 HydrophobicContact CG1-CE1 3.88Å; V77-F109 HydrophobicContact CG1-CZ 3.81Å; L99-F109 HydrophobicContact CD2-CE1 4.29Å; L99-F109 HydrophobicContact CD2-CE2 4.48Å; L99-F109 HydrophobicContact CD2-CZ 3.82Å; L107-F109 VanDerWaalsContact C-N 3.27Å; L107-F109 HydrophobicContact CB-CD2 4.16Å; L107-F109 HydrophobicContact CD2-CE2 4.41Å; L107-F109 PolarHBondContact O-N 3.48Å; L107-F109 VanDerWaalsContact O-N 3.12Å; F109-F114 HydrophobicContact CB-CE2 3.72Å; F109-F114 HydrophobicContact CB-CZ 4.31Å; F109-F114 HydrophobicContact CD1-CE2 4.05Å; F109-F114 AromaticContact CD1-CZ 3.78Å; F109-F114 HydrophobicContact CD1-CZ 3.78Å; F109-F114 AromaticContact CD2-CE2 3.69Å; F109-F114 HydrophobicContact CD2-CE2 3.69Å; F109-F114 AromaticContact CD2-CZ 4Å; F109-F114 HydrophobicContact CD2-CZ 4Å; F109-F114 HydrophobicContact CE1-CZ 4.02Å; F109-F114 HydrophobicContact CE2-CE2 4.3Å; F109-F114 HydrophobicContact CE2-CZ 4.24Å; F109-F114 AromaticContact CG-CE2 3.55Å; F109-F114 HydrophobicContact CG-CE2 3.55Å; F109-F114 AromaticContact CG-CZ 3.76Å; F109-F114 HydrophobicContact CG-CZ 3.76Å; F109-F114 HydrophobicContact CZ-CZ 4.24Å
110R97.5Very high97.4Very high168 Ų16838.3 Ų38.363%0.63423%0.225SC*.  trans-62.8154.2175.267.3173.5179.473.42.4110.4G112 S113R110-G112 PolarHBondContact NH1-O 2.88Å; R110-G112 VanDerWaalsContact NH1-O 3.07Å; R110-S113 WeakPolarHBondContact CG-OG 3.34Å; R110-S113 WeakPolarHBondContact O-CB 3.42Å; R110-S113 PolarHBondContact O-OG 3.09Å
111A97.8Very high97.2Very high75 Ų7534.5 Ų34.562%0.6221%0.207SC*.THydrogen-bonded Turntrans-61.2143.7176.200000111.9S113 A149A111-S113 VanDerWaalsContact C-N 3.3Å; A111-S113 PolarHBondContact O-N 2.81Å; A111-A149 CarbonylContact C-O 3.55Å; A111-A149 WeakPolarHBondContact CA-O 3.41Å; A111-A149 WeakPolarHBondContact CB-O 3.32Å
112G97.4Very high97.1Very high31 Ų3134.4 Ų34.432%0.3220%0.202SC..THydrogen-bonded Turntrans59.736.3179.200000114.2R110 A149 C150R110-G112 PolarHBondContact NH1-O 2.88Å; R110-G112 VanDerWaalsContact NH1-O 3.07Å; G112-A149 PolarHBondContact N-O 3.4Å; G112-C150 CarbonylContact C-O 3.58Å
113S97.8Very high97Very high10 Ų1032.3 Ų32.37%0.0719%0.191CC..  trans-75.3-43.4178.8-70.80000113.2R110 A111 C150R110-S113 WeakPolarHBondContact CG-OG 3.34Å; R110-S113 WeakPolarHBondContact O-CB 3.42Å; R110-S113 PolarHBondContact O-OG 3.09Å; A111-S113 VanDerWaalsContact C-N 3.3Å; A111-S113 PolarHBondContact O-N 2.81Å; S113-C150 PolarHBondContact N-O 2.92Å
114F98.4Very high96.8Very high2 Ų232.2 Ų32.21%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-113.9142-164.5-56.6-80.5000111.6F54 L56 V77 F109 G116 C150 L151 S152 S155F54-F114 AromaticContact CD1-CD1 3.61Å; F54-F114 HydrophobicContact CD1-CD1 3.61Å; F54-F114 AromaticContact CD1-CE1 3.81Å; F54-F114 HydrophobicContact CD1-CE1 3.81Å; F54-F114 AromaticContact CE1-CD1 3.73Å; F54-F114 HydrophobicContact CE1-CD1 3.73Å; F54-F114 AromaticContact CE1-CE1 3.39Å; F54-F114 HydrophobicContact CE1-CE1 3.39Å; F54-F114 HydrophobicContact CE1-CZ 4.23Å; F54-F114 HydrophobicContact CE2-CE1 4.31Å; F54-F114 HydrophobicContact CG-CD1 4.1Å; F54-F114 HydrophobicContact CG-CE1 4.43Å; F54-F114 HydrophobicContact CZ-CD1 4.29Å; F54-F114 AromaticContact CZ-CE1 3.68Å; F54-F114 HydrophobicContact CZ-CE1 3.68Å; F54-F114 CarbonylContact O-C 3.39Å; F54-F114 WeakPolarHBondContact O-CA 3.32Å; L56-F114 HydrophobicContact CB-CB 4.41Å; L56-F114 HydrophobicContact CB-CD1 3.86Å; L56-F114 HydrophobicContact CB-CD2 3.89Å; L56-F114 HydrophobicContact CB-CE1 4.01Å; L56-F114 HydrophobicContact CB-CE2 4.05Å; L56-F114 HydrophobicContact CB-CG 3.79Å; L56-F114 HydrophobicContact CB-CZ 4.11Å; L56-F114 HydrophobicContact CD1-CE1 4.35Å; L56-F114 HydrophobicContact CD1-CE2 4.14Å; L56-F114 HydrophobicContact CD1-CZ 3.89Å; L56-F114 HydrophobicContact CD2-CD2 4.28Å; L56-F114 HydrophobicContact CD2-CE2 4.13Å; L56-F114 HydrophobicContact CG-CE2 4.33Å; L56-F114 HydrophobicContact CG-CZ 4.44Å; V77-F114 HydrophobicContact CB-CE1 4.36Å; F109-F114 HydrophobicContact CB-CE2 3.72Å; F109-F114 HydrophobicContact CB-CZ 4.31Å; F109-F114 HydrophobicContact CD1-CE2 4.05Å; F109-F114 AromaticContact CD1-CZ 3.78Å; F109-F114 HydrophobicContact CD1-CZ 3.78Å; F109-F114 AromaticContact CD2-CE2 3.69Å; F109-F114 HydrophobicContact CD2-CE2 3.69Å; F109-F114 AromaticContact CD2-CZ 4Å; F109-F114 HydrophobicContact CD2-CZ 4Å; F109-F114 HydrophobicContact CE1-CZ 4.02Å; F109-F114 HydrophobicContact CE2-CE2 4.3Å; F109-F114 HydrophobicContact CE2-CZ 4.24Å; F109-F114 AromaticContact CG-CE2 3.55Å; F109-F114 HydrophobicContact CG-CE2 3.55Å; F109-F114 AromaticContact CG-CZ 3.76Å; F109-F114 HydrophobicContact CG-CZ 3.76Å; F109-F114 HydrophobicContact CZ-CZ 4.24Å; F114-G116 VanDerWaalsContact C-N 3.33Å; F114-C150 HydrophobicContact CD2-CB 4.13Å; F114-C150 HydrophobicContact CE2-CB 4.41Å; F114-C150 PolarHBondContact N-O 3.48Å; F114-C150 VanDerWaalsContact N-O 3.11Å; F114-L151 HydrophobicContact CB-CD2 4.19Å; F114-S152 PolarHBondContact O-N 3.09Å; F114-S152 PolarHBondContact O-OG 2.88Å; F114-S155 PolarHBondContact O-OG 2.96Å
115Q97.4Very high96.7Very high79 Ų7933.2 Ų33.237%0.36919%0.192SC..EExtended strand (participates in β ladder)trans-83.5-10.8174.6-70.379.927.700113C53 F54 S155C53-Q115 HydrophobicContact CB-CB 4.12Å; F54-Q115 PolarHBondContact O-N 3.37Å; F54-Q115 PolarHBondContact O-OE1 2.95Å; Q115-S155 VanDerWaalsContact CA-OG 3.28Å; Q115-S155 WeakPolarHBondContact CA-OG 3.39Å; Q115-S155 WeakPolarHBondContact O-CB 3.29Å; Q115-S155 PolarHBondContact O-OG 3.36Å
116G97.8Very high96.6Very high0 Ų029.5 Ų29.50%017%0.167CC..EExtended strand (participates in β ladder)trans-168.1169.7171.200000111.4I55 L56 F114 T156I55-G116 WeakPolarHBondContact CA-O 3.48Å; L56-G116 PolarHBondContact N-O 3.35Å; F114-G116 VanDerWaalsContact C-N 3.33Å; G116-T156 VanDerWaalsContact CA-O 3.23Å; G116-T156 WeakPolarHBondContact CA-O 3.43Å
117A98.6Very high96.2Very high0 Ų030 Ų300%017%0.168CC..EExtended strand (participates in β ladder)trans-141137.1174.300000111.2L45 L56 I58 L147 L151 T156 A157 A158L45-A117 WeakPolarHBondContact CD2-O 3.22Å; L56-A117 HydrophobicContact CB-CB 4.06Å; L56-A117 CarbonylContact O-C 3.58Å; L56-A117 VanDerWaalsContact O-CA 3.25Å; L56-A117 WeakPolarHBondContact O-CA 3.1Å; I58-A117 HydrophobicContact CD1-CB 4.17Å; A117-L147 HydrophobicContact CB-CD1 3.84Å; A117-L151 HydrophobicContact CB-CD2 4.02Å; A117-T156 PolarHBondContact N-O 2.71Å; A117-T156 VanDerWaalsContact N-O 3.14Å; A117-A157 HydrophobicContact CB-CB 4.29Å; A117-A157 CarbonylContact O-C 3.57Å; A117-A157 WeakPolarHBondContact O-CA 3.36Å; A117-A158 PolarHBondContact O-N 2.89Å
118I98.5Very high95.4Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-111.7153.1169.164.4169.8000110A41 L45 L56 D57 I58 L69 A158A41-I118 HydrophobicContact CB-CB 4.47Å; A41-I118 HydrophobicContact CB-CG2 4.25Å; L45-I118 HydrophobicContact CD1-CG2 3.62Å; L45-I118 HydrophobicContact CD2-CG2 4.4Å; L45-I118 HydrophobicContact CG-CG2 4.06Å; L56-I118 PolarHBondContact O-N 3.11Å; D57-I118 HydrophobicContact CB-CG1 4.3Å; I58-I118 PolarHBondContact N-O 3.48Å; L69-I118 HydrophobicContact CD1-CD1 3.75Å; L69-I118 HydrophobicContact CD1-CG1 4.14Å; L69-I118 HydrophobicContact CD2-CD1 3.91Å; L69-I118 HydrophobicContact CG-CD1 3.84Å; I118-A158 CarbonylContact C-O 3.56Å; I118-A158 WeakPolarHBondContact CA-O 3.44Å
119S98.2Very high94Very high0 Ų029.2 Ų29.20%016%0.161CC..EExtended strand (participates in β ladder)trans-144.5128166.2-168.10000108.7I58 V122 A158 L159 Q160I58-S119 WeakPolarHBondContact O-CA 3.38Å; I58-S119 PolarHBondContact O-OG 2.99Å; S119-V122 VanDerWaalsContact OG-CB 3.27Å; S119-V122 WeakPolarHBondContact OG-CB 3.18Å; S119-V122 VanDerWaalsContact OG-CG2 3.27Å; S119-V122 WeakPolarHBondContact OG-CG2 3.44Å; S119-A158 PolarHBondContact N-O 3.2Å; S119-L159 VanDerWaalsContact CB-CD2 3.42Å; S119-L159 CarbonylContact O-C 3.59Å; S119-L159 WeakPolarHBondContact O-CA 3.38Å; S119-Q160 PolarHBondContact O-N 3.39Å
120V97.1Very high92.3Very high13 Ų1331.9 Ų31.98%0.07917%0.174CC..EExtended strand (participates in β ladder)trans-121115.8-177.3176.90000108.8I37 A38 V122I37-V120 HydrophobicContact CB-CG1 4.24Å; I37-V120 HydrophobicContact CG2-CB 4.5Å; I37-V120 HydrophobicContact CG2-CG1 3.61Å; I37-V120 HydrophobicContact CG2-CG2 4.2Å; A38-V120 HydrophobicContact CB-CG2 4.21Å; V120-V122 WeakPolarHBondContact O-CG2 3.49Å
121S94.1Very high90.7Very high18 Ų1828.8 Ų28.813%0.12617%0.167CC..SBendtrans61.441.2176.6-55.40000114.7Q34 Q124 Q160 Y162Q34-S121 PolarHBondContact NE2-OG 3.36Å; Q34-S121 PolarHBondContact OE1-OG 3.5Å; S121-Q124 PolarHBondContact O-NE2 2.87Å; S121-Q160 PolarHBondContact N-O 3Å; S121-Q160 PolarHBondContact OG-OE1 2.98Å; S121-Y162 WeakPolarHBondContact OG-CE2 3.45Å
122V94.9Very high89Confident18 Ų1837.5 Ų37.511%0.10918%0.184CC..  trans-116.4-45.8-176-173.50000114.8I58 V103 S119 V120 Q124 W125I58-V122 VanDerWaalsContact O-CG2 3.25Å; I58-V122 WeakPolarHBondContact O-CG2 3.28Å; V103-V122 HydrophobicContact CG2-CG1 4.47Å; S119-V122 VanDerWaalsContact OG-CB 3.27Å; S119-V122 WeakPolarHBondContact OG-CB 3.18Å; S119-V122 VanDerWaalsContact OG-CG2 3.27Å; S119-V122 WeakPolarHBondContact OG-CG2 3.44Å; V120-V122 WeakPolarHBondContact O-CG2 3.49Å; V122-Q124 PolarHBondContact O-N 2.92Å; V122-W125 WeakPolarHBondContact O-CB 3.37Å; V122-W125 VanDerWaalsContact O-CD1 3.28Å; V122-W125 PolarHBondContact O-N 2.94Å
123L93.5Very high87.6Confident2 Ų240 Ų401%0.0121%0.21CC..Hα-helixtrans-60.1-30.3-165-63.8178.7000113.8W125 L126 C127 F143 F144 L159 F161 I172L123-W125 PolarHBondContact O-N 3.27Å; L123-L126 HydrophobicContact CD2-CD1 4.32Å; L123-L126 WeakPolarHBondContact O-CB 3.18Å; L123-L126 PolarHBondContact O-N 2.95Å; L123-C127 PolarHBondContact O-N 3.19Å; L123-F143 HydrophobicContact CD2-CD1 4.03Å; L123-F143 HydrophobicContact CD2-CE1 3.37Å; L123-F143 HydrophobicContact CD2-CZ 3.86Å; L123-F144 HydrophobicContact CD1-CZ 4.42Å; L123-L159 HydrophobicContact CD1-CB 3.72Å; L123-L159 HydrophobicContact CD1-CD1 4Å; L123-L159 HydrophobicContact CD2-CD1 4.46Å; L123-L159 HydrophobicContact CG-CB 4.41Å; L123-F161 HydrophobicContact CB-CB 3.76Å; L123-F161 HydrophobicContact CB-CG 4.17Å; L123-F161 HydrophobicContact CD1-CB 4.34Å; L123-F161 HydrophobicContact CD1-CD1 3.81Å; L123-F161 HydrophobicContact CD1-CE1 4.38Å; L123-F161 HydrophobicContact CD1-CG 4.17Å; L123-F161 HydrophobicContact CG-CB 4.34Å; L123-I172 HydrophobicContact CB-CD1 4.48Å; L123-I172 HydrophobicContact CD1-CG2 4.04Å
124Q92.7Very high86.5Confident8 Ų842.1 Ų42.14%0.03722%0.218CC..Hα-helixtrans-60.7-26.317872-76.5-2.100112.8S121 V122 L126 C127 Y162S121-Q124 PolarHBondContact O-NE2 2.87Å; V122-Q124 PolarHBondContact O-N 2.92Å; Q124-L126 VanDerWaalsContact C-N 3.32Å; Q124-C127 PolarHBondContact O-N 3.37Å; Q124-Y162 VanDerWaalsContact CB-O 3.29Å; Q124-Y162 WeakPolarHBondContact CB-O 3.43Å
125W93.3Very high86Confident26 Ų2645.1 Ų45.110%0.09823%0.234CC..Hα-helixtrans-71.4-25.9174-63.499.7000113P6 E7 P12 Y15 Y16 V122 L123 C127P6-W125 HydrophobicContact CB-CH2 3.58Å; P6-W125 HydrophobicContact CB-CZ2 3.86Å; E7-W125 HydrophobicContact CB-CD2 4.12Å; E7-W125 HydrophobicContact CB-CE3 3.72Å; E7-W125 HydrophobicContact CB-CH2 4.47Å; E7-W125 HydrophobicContact CB-CZ3 3.94Å; P12-W125 HydrophobicContact CB-CD2 3.84Å; P12-W125 HydrophobicContact CB-CE3 3.68Å; P12-W125 HydrophobicContact CB-CG 4.3Å; P12-W125 HydrophobicContact CB-CH2 4.46Å; P12-W125 HydrophobicContact CB-CZ3 3.99Å; P12-W125 HydrophobicContact CG-CB 4.27Å; P12-W125 HydrophobicContact CG-CD2 4.23Å; P12-W125 HydrophobicContact CG-CE3 3.94Å; P12-W125 HydrophobicContact CG-CG 4.41Å; Y15-W125 AromaticContact CD1-CH2 3.88Å; Y15-W125 HydrophobicContact CD1-CH2 3.88Å; Y15-W125 HydrophobicContact CD1-CZ2 4.44Å; Y15-W125 HydrophobicContact CD2-CH2 4.48Å; Y15-W125 AromaticContact CG-CH2 3.88Å; Y15-W125 HydrophobicContact CG-CH2 3.88Å; Y16-W125 HydrophobicContact CE2-CH2 4.21Å; Y16-W125 AromaticContact CE2-CZ2 3.62Å; Y16-W125 HydrophobicContact CE2-CZ2 3.62Å; V122-W125 WeakPolarHBondContact O-CB 3.37Å; V122-W125 VanDerWaalsContact O-CD1 3.28Å; V122-W125 PolarHBondContact O-N 2.94Å; L123-W125 PolarHBondContact O-N 3.27Å; W125-C127 VanDerWaalsContact C-N 3.32Å
126L92.6Very high85.7Confident4 Ų442.3 Ų42.32%0.02123%0.225CC..Hα-helixtrans-77.3-23.3175.5-66.4-178.5000112.6V103 L123 Q124 N128 L140 F143V103-L126 HydrophobicContact CG2-CD1 4.25Å; V103-L126 HydrophobicContact CG2-CD2 4.11Å; V103-L126 HydrophobicContact CG2-CG 4.47Å; L123-L126 HydrophobicContact CD2-CD1 4.32Å; L123-L126 WeakPolarHBondContact O-CB 3.18Å; L123-L126 PolarHBondContact O-N 2.95Å; Q124-L126 VanDerWaalsContact C-N 3.32Å; L126-N128 VanDerWaalsContact C-N 3.27Å; L126-L140 HydrophobicContact CB-CD2 3.76Å; L126-L140 HydrophobicContact CB-CG 4.19Å; L126-L140 HydrophobicContact CD1-CD2 4.12Å; L126-F143 HydrophobicContact CD1-CB 3.83Å; L126-F143 HydrophobicContact CD1-CD1 3.91Å; L126-F143 HydrophobicContact CD1-CD2 4.17Å; L126-F143 HydrophobicContact CD1-CG 3.68Å
127C89.1Confident85.5Confident22 Ų2246.3 Ų46.315%0.14925%0.246CC..Hα-helixtrans-76.6-18176.5-61.80000112.8L123 Q124 W125 A136 Q168L123-C127 PolarHBondContact O-N 3.19Å; Q124-C127 PolarHBondContact O-N 3.37Å; W125-C127 VanDerWaalsContact C-N 3.32Å; C127-A136 WeakPolarHBondContact O-CB 3.42Å; C127-Q168 HydrophobicContact CB-CG 3.94Å; C127-Q168 VanDerWaalsContact SG-CG 3.53Å
128N81.5Confident85.3Confident36 Ų3653.4 Ų53.419%0.19328%0.276CS..  trans-111.3112.7-175.8-68.75.4000109.9E7 H8 L126E7-N128 HydrophobicContact CB-CB 4.35Å; E7-N128 VanDerWaalsContact CB-ND2 3.29Å; E7-N128 WeakPolarHBondContact CB-ND2 3.4Å; E7-N128 WeakPolarHBondContact CG-ND2 3.47Å; E7-N128 WeakPolarHBondContact O-CB 3.34Å; E7-N128 PolarHBondContact O-ND2 3.09Å; H8-N128 PolarHBondContact CD2-ND2 3.46Å; L126-N128 VanDerWaalsContact C-N 3.27Å
129T68.9Low85.1Confident50 Ų5054.8 Ų54.831%0.30728%0.282SS..  trans-113100.2178.551.70000109.3Q134 A136T129-Q134 HydrophobicContact CG2-CB 3.75Å; T129-Q134 PolarHBondContact OG1-O 3.24Å; T129-A136 HydrophobicContact CG2-CB 3.95Å
130E62.2Low85Confident107 Ų10754.9 Ų54.950%0.528%0.282SS..  trans-79.8-26.3172.8-67-96.5158.700111.2H8 P11H8-E130 VanDerWaalsContact C-OE1 3.29Å; P11-E130 HydrophobicContact CG-CB 4.37Å
131E62.9Low85Confident104 Ų10462.1 Ų62.149%0.48631%0.308SS..SBendtrans-77.7126-177.4-72.6-178.7-15600112.2G133 Q134E131-G133 PolarHBondContact O-N 3.35Å; E131-Q134 HydrophobicContact CB-CB 4.37Å; E131-Q134 HydrophobicContact CB-CG 3.79Å; E131-Q134 VanDerWaalsContact CD-NE2 3.32Å; E131-Q134 PolarHBondContact O-N 3.45Å; E131-Q134 VanDerWaalsContact O-N 3.07Å; E131-Q134 PolarHBondContact OE2-NE2 3.35Å
132R62.7Low85.1Confident258 Ų25868.7 Ų68.797%0.97433%0.33SS*.THydrogen-bonded Turntrans-55.4122.2172.9-70.9-175.7179.7-172.60.4109.9
133G68.3Low85.2Confident84 Ų8467.8 Ų67.887%0.86633%0.325SS*.THydrogen-bonded Turntrans97.9-9.7178.600000114.8E131E131-G133 PolarHBondContact O-N 3.35Å
134Q74.4Confident85.5Confident54 Ų5467.9 Ų67.925%0.25233%0.325SS..  trans-81.9133.1168.9-66.2-160.89.800110.6T129 E131 R139T129-Q134 HydrophobicContact CG2-CB 3.75Å; T129-Q134 PolarHBondContact OG1-O 3.24Å; E131-Q134 HydrophobicContact CB-CB 4.37Å; E131-Q134 HydrophobicContact CB-CG 3.79Å; E131-Q134 VanDerWaalsContact CD-NE2 3.32Å; E131-Q134 PolarHBondContact O-N 3.45Å; E131-Q134 VanDerWaalsContact O-N 3.07Å; E131-Q134 PolarHBondContact OE2-NE2 3.35Å; Q134-R139 VanDerWaalsContact OE1-CD 3.23Å
135D88.5Confident85.7Confident64 Ų6471 Ų7134%0.34235%0.345SS..  trans-114.4114.6176.6175.5-19.6000107.9L137 K138 R139D135-L137 PolarHBondContact O-N 2.68Å; D135-L137 WeakPolarHBondContact OD1-CA 3.13Å; D135-L137 VanDerWaalsContact OD1-CB 3.27Å; D135-L137 WeakPolarHBondContact OD1-CB 3.25Å; D135-L137 PolarHBondContact OD1-N 3.27Å; D135-K138 HydrophobicContact CB-CB 4.05Å; D135-K138 HydrophobicContact CB-CD 3.88Å; D135-K138 HydrophobicContact CB-CG 3.94Å; D135-K138 PolarHBondContact O-N 2.99Å; D135-K138 PolarHBondContact OD1-N 3.2Å; D135-K138 VanDerWaalsContact OD2-CE 3.29Å; D135-K138 WeakPolarHBondContact OD2-CE 3.46Å; D135-K138 WeakPolarHBondContact OD2-CG 3.38Å; D135-K138 IonicContact OD2-NZ 3.8Å; D135-R139 WeakPolarHBondContact O-CG 3.36Å; D135-R139 PolarHBondContact O-N 3.25Å
136A90.8Very high86Confident21 Ų2170.7 Ų70.717%0.17435%0.346CS..Hα-helixtrans-53.5-38.4-178.300000112.1C127 T129 R139 L140C127-A136 WeakPolarHBondContact O-CB 3.42Å; T129-A136 HydrophobicContact CG2-CB 3.95Å; A136-R139 PolarHBondContact O-N 2.99Å; A136-L140 WeakPolarHBondContact O-CB 3.37Å; A136-L140 WeakPolarHBondContact O-CG 3.47Å; A136-L140 PolarHBondContact O-N 3.05Å
137L92.8Very high86.3Confident84 Ų8470.5 Ų70.544%0.4435%0.345SS..Hα-helixtrans-68.7-41.2179.7-169.166.6000111.4D135 R141 V171 Q175D135-L137 PolarHBondContact O-N 2.68Å; D135-L137 WeakPolarHBondContact OD1-CA 3.13Å; D135-L137 VanDerWaalsContact OD1-CB 3.27Å; D135-L137 WeakPolarHBondContact OD1-CB 3.25Å; D135-L137 PolarHBondContact OD1-N 3.27Å; L137-R141 VanDerWaalsContact O-CB 3.29Å; L137-R141 WeakPolarHBondContact O-CB 3.5Å; L137-R141 PolarHBondContact O-N 3.45Å; L137-V171 HydrophobicContact CD1-CG1 3.95Å; L137-Q175 HydrophobicContact CD1-CG 3.99Å; L137-Q175 VanDerWaalsContact CD1-NE2 3.28Å
138K93.9Very high86.7Confident148 Ų14875.1 Ų75.164%0.64336%0.361SS*.Hα-helixtrans-65.8-42.5176.1-69.1-179.9-167.9166.60111.5D135 R141 R142D135-K138 HydrophobicContact CB-CB 4.05Å; D135-K138 HydrophobicContact CB-CD 3.88Å; D135-K138 HydrophobicContact CB-CG 3.94Å; D135-K138 PolarHBondContact O-N 2.99Å; D135-K138 PolarHBondContact OD1-N 3.2Å; D135-K138 VanDerWaalsContact OD2-CE 3.29Å; D135-K138 WeakPolarHBondContact OD2-CE 3.46Å; D135-K138 WeakPolarHBondContact OD2-CG 3.38Å; D135-K138 IonicContact OD2-NZ 3.8Å; K138-R141 PolarHBondContact O-N 3.04Å; K138-R142 VanDerWaalsContact O-CB 3.32Å; K138-R142 WeakPolarHBondContact O-CB 3.27Å; K138-R142 PolarHBondContact O-N 3.48Å
139R95.1Very high87.5Confident30 Ų3075.7 Ų75.711%0.11337%0.37CS..Hα-helixtrans-62.3-48.1176.8-70.6174.362.479.18.4111.3D102 Q134 D135 A136 R141 R142 F143D102-R139 VanDerWaalsContact CG-NH2 3.25Å; D102-R139 IonicContact OD1-CZ 3.08Å; D102-R139 IonicContact OD1-NH1 2.66Å; D102-R139 IonicContact OD1-NH2 3.87Å; D102-R139 PolarHBondContact OD1-NH2 3.18Å; D102-R139 IonicContact OD2-CZ 3.49Å; D102-R139 VanDerWaalsContact OD2-CZ 3.29Å; D102-R139 IonicContact OD2-NH1 3.24Å; D102-R139 PolarHBondContact OD2-NH1 3.2Å; D102-R139 IonicContact OD2-NH2 2.81Å; D102-R139 PolarHBondContact OD2-NH2 3.11Å; Q134-R139 VanDerWaalsContact OE1-CD 3.23Å; D135-R139 WeakPolarHBondContact O-CG 3.36Å; D135-R139 PolarHBondContact O-N 3.25Å; A136-R139 PolarHBondContact O-N 2.99Å; R139-R141 PolarHBondContact O-N 3.41Å; R139-R142 PolarHBondContact O-N 2.87Å; R139-F143 WeakPolarHBondContact O-CB 3.27Å; R139-F143 PolarHBondContact O-N 3.41Å
140L95.7Very high88.9Confident2 Ų273.4 Ų73.41%0.0136%0.356CS..Hα-helixtrans-59.6-46174.5-76.8169000112L126 A136 R142 F143 F144 V171 I172 Q175L126-L140 HydrophobicContact CB-CD2 3.76Å; L126-L140 HydrophobicContact CB-CG 4.19Å; L126-L140 HydrophobicContact CD1-CD2 4.12Å; A136-L140 WeakPolarHBondContact O-CB 3.37Å; A136-L140 WeakPolarHBondContact O-CG 3.47Å; A136-L140 PolarHBondContact O-N 3.05Å; L140-R142 VanDerWaalsContact C-N 3.35Å; L140-R142 PolarHBondContact O-N 2.88Å; L140-F143 PolarHBondContact O-N 3.19Å; L140-F144 HydrophobicContact CD2-CE2 4.21Å; L140-F144 VanDerWaalsContact O-CD2 3.29Å; L140-F144 WeakPolarHBondContact O-CD2 3.37Å; L140-F144 PolarHBondContact O-N 3.26Å; L140-V171 HydrophobicContact CD1-CG1 4.01Å; L140-I172 HydrophobicContact CD1-CG1 4.42Å; L140-I172 HydrophobicContact CD2-CG1 4.34Å; L140-Q175 HydrophobicContact CB-CB 4.37Å; L140-Q175 HydrophobicContact CB-CG 3.98Å
141R96.3Very high90.6Very high165 Ų16569 Ų6962%0.62334%0.336SS*.Hα-helixtrans-59.4-46.1177.3-177.5178.9177.9174.40.2111.5L137 K138 R139 T145L137-R141 VanDerWaalsContact O-CB 3.29Å; L137-R141 WeakPolarHBondContact O-CB 3.5Å; L137-R141 PolarHBondContact O-N 3.45Å; K138-R141 PolarHBondContact O-N 3.04Å; R139-R141 PolarHBondContact O-N 3.41Å; R141-T145 VanDerWaalsContact O-CB 3.32Å; R141-T145 WeakPolarHBondContact O-CB 3.32Å; R141-T145 PolarHBondContact O-N 3.31Å; R141-T145 PolarHBondContact O-OG1 2.93Å
142R97Very high92.2Very high155 Ų15565.7 Ų65.759%0.58533%0.325SS*.Hα-helixtrans-62.2-47.5178.8-179.462.9172.3-173.7-0.2111C105 K138 R139 L140 T145 S146C105-R142 VanDerWaalsContact C-CG 3.5Å; C105-R142 WeakPolarHBondContact O-CG 3.39Å; C105-R142 PolarHBondContact O-NE 3.34Å; K138-R142 VanDerWaalsContact O-CB 3.32Å; K138-R142 WeakPolarHBondContact O-CB 3.27Å; K138-R142 PolarHBondContact O-N 3.48Å; R139-R142 PolarHBondContact O-N 2.87Å; L140-R142 VanDerWaalsContact C-N 3.35Å; L140-R142 PolarHBondContact O-N 2.88Å; R142-T145 PolarHBondContact O-N 2.82Å; R142-S146 WeakPolarHBondContact O-CB 3.33Å; R142-S146 PolarHBondContact O-N 3.4Å; R142-S146 PolarHBondContact O-OG 3.45Å; R142-S146 VanDerWaalsContact O-OG 3.09Å
143F98Very high93.7Very high0 Ų065.6 Ų65.60%032%0.324CS..Hα-helixtrans-53.5-60.5175.4170.2-106.5000111.2I58 V103 L107 L123 L126 R139 L140 T145 S146 L147 L159I58-F143 HydrophobicContact CD1-CE2 4.01Å; I58-F143 HydrophobicContact CD1-CZ 3.91Å; I58-F143 HydrophobicContact CG2-CE2 3.67Å; I58-F143 HydrophobicContact CG2-CZ 4.06Å; V103-F143 HydrophobicContact CB-CD2 3.89Å; V103-F143 HydrophobicContact CB-CE2 4.14Å; V103-F143 HydrophobicContact CG2-CD2 4.14Å; V103-F143 HydrophobicContact CG2-CE2 4.34Å; L107-F143 HydrophobicContact CD1-CE2 4.47Å; L123-F143 HydrophobicContact CD2-CD1 4.03Å; L123-F143 HydrophobicContact CD2-CE1 3.37Å; L123-F143 HydrophobicContact CD2-CZ 3.86Å; L126-F143 HydrophobicContact CD1-CB 3.83Å; L126-F143 HydrophobicContact CD1-CD1 3.91Å; L126-F143 HydrophobicContact CD1-CD2 4.17Å; L126-F143 HydrophobicContact CD1-CG 3.68Å; R139-F143 WeakPolarHBondContact O-CB 3.27Å; R139-F143 PolarHBondContact O-N 3.41Å; L140-F143 PolarHBondContact O-N 3.19Å; F143-T145 PolarHBondContact O-N 3.37Å; F143-S146 PolarHBondContact O-N 2.69Å; F143-S146 PolarHBondContact O-OG 2.92Å; F143-L147 HydrophobicContact CE1-CD2 4.12Å; F143-L147 HydrophobicContact CZ-CD2 3.86Å; F143-L147 WeakPolarHBondContact O-CB 3.44Å; F143-L147 PolarHBondContact O-N 3.47Å; F143-L159 HydrophobicContact CE1-CD1 4.29Å
144F98.4Very high94.8Very high4 Ų465.2 Ų65.22%0.01832%0.32CS..Hα-helixtrans-63-39.2-176.8-79-66.1000113.2L123 L140 S146 L147 Y148 L159 I172 Q175 A176 A179 F181L123-F144 HydrophobicContact CD1-CZ 4.42Å; L140-F144 HydrophobicContact CD2-CE2 4.21Å; L140-F144 VanDerWaalsContact O-CD2 3.29Å; L140-F144 WeakPolarHBondContact O-CD2 3.37Å; L140-F144 PolarHBondContact O-N 3.26Å; F144-S146 PolarHBondContact O-N 2.88Å; F144-L147 PolarHBondContact O-N 3.11Å; F144-Y148 WeakPolarHBondContact O-CB 3.38Å; F144-Y148 PolarHBondContact O-N 3.3Å; F144-L159 HydrophobicContact CE1-CD1 3.71Å; F144-L159 HydrophobicContact CZ-CD1 4.28Å; F144-I172 HydrophobicContact CE2-CG2 4.06Å; F144-I172 HydrophobicContact CZ-CG2 3.82Å; F144-Q175 HydrophobicContact CD2-CB 3.65Å; F144-Q175 HydrophobicContact CE2-CB 4.1Å; F144-A176 HydrophobicContact CD1-CB 3.74Å; F144-A176 HydrophobicContact CD2-CB 4.46Å; F144-A176 HydrophobicContact CE1-CB 3.58Å; F144-A176 HydrophobicContact CE2-CB 4.32Å; F144-A176 HydrophobicContact CG-CB 4.2Å; F144-A176 HydrophobicContact CZ-CB 3.89Å; F144-A179 HydrophobicContact CB-CB 3.7Å; F144-F181 HydrophobicContact CD1-CD2 4.16Å; F144-F181 HydrophobicContact CD1-CE2 4.03Å
145T98.3Very high95.8Very high74 Ų7464 Ų6445%0.45432%0.317SS..Hα-helixtrans-62-44.8176.8-54.80000111.1R141 R142 F143 A149R141-T145 VanDerWaalsContact O-CB 3.32Å; R141-T145 WeakPolarHBondContact O-CB 3.32Å; R141-T145 PolarHBondContact O-N 3.31Å; R141-T145 PolarHBondContact O-OG1 2.93Å; R142-T145 PolarHBondContact O-N 2.82Å; F143-T145 PolarHBondContact O-N 3.37Å; T145-A149 PolarHBondContact O-N 3.46Å; T145-A149 VanDerWaalsContact O-N 3.16Å
146S98.5Very high96.2Very high18 Ų1863.4 Ų63.413%0.12632%0.316CS..Hα-helixtrans-69.5-37.5178.4680000112.7G106 L107 R142 F143 F144 A149 C150G106-S146 WeakPolarHBondContact CA-OG 3.44Å; L107-S146 VanDerWaalsContact N-CB 3.33Å; L107-S146 PolarHBondContact N-OG 3.04Å; R142-S146 WeakPolarHBondContact O-CB 3.33Å; R142-S146 PolarHBondContact O-N 3.4Å; R142-S146 PolarHBondContact O-OG 3.45Å; R142-S146 VanDerWaalsContact O-OG 3.09Å; F143-S146 PolarHBondContact O-N 2.69Å; F143-S146 PolarHBondContact O-OG 2.92Å; F144-S146 PolarHBondContact O-N 2.88Å; S146-A149 PolarHBondContact O-N 3.07Å; S146-C150 WeakPolarHBondContact O-CB 3.49Å; S146-C150 PolarHBondContact O-N 2.76Å; S146-C150 PolarHBondContact O-SG 2.98Å
147L98.6Very high96.5Very high0 Ų064.1 Ų64.10%032%0.322CS..Hα-helixtrans-63.2-46.4176179.656.5000111.3L56 I58 L107 A117 F143 F144 A149 C150 L151 A157 L159 F181L56-L147 HydrophobicContact CD2-CD1 4.17Å; I58-L147 HydrophobicContact CD1-CD1 3.64Å; I58-L147 HydrophobicContact CD1-CD2 3.97Å; I58-L147 HydrophobicContact CD1-CG 4.39Å; L107-L147 HydrophobicContact CD1-CB 3.73Å; L107-L147 HydrophobicContact CD1-CD1 3.75Å; L107-L147 HydrophobicContact CD1-CG 4.32Å; A117-L147 HydrophobicContact CB-CD1 3.84Å; F143-L147 HydrophobicContact CE1-CD2 4.12Å; F143-L147 HydrophobicContact CZ-CD2 3.86Å; F143-L147 WeakPolarHBondContact O-CB 3.44Å; F143-L147 PolarHBondContact O-N 3.47Å; F144-L147 PolarHBondContact O-N 3.11Å; L147-A149 VanDerWaalsContact C-N 3.28Å; L147-A149 PolarHBondContact O-N 2.96Å; L147-C150 PolarHBondContact O-N 2.85Å; L147-C150 VanDerWaalsContact O-N 3.16Å; L147-L151 HydrophobicContact CD1-CD1 4.21Å; L147-L151 HydrophobicContact CD1-CG 4.27Å; L147-L151 HydrophobicContact CG-CD1 4.26Å; L147-L151 WeakPolarHBondContact O-CG 3.49Å; L147-L151 PolarHBondContact O-N 3.36Å; L147-L151 VanDerWaalsContact O-N 3.16Å; L147-A157 HydrophobicContact CD2-CB 4.49Å; L147-L159 HydrophobicContact CD2-CD1 4.18Å; L147-L159 HydrophobicContact CD2-CD2 4.39Å; L147-F181 HydrophobicContact CB-CZ 4.3Å; L147-F181 HydrophobicContact CD2-CZ 4.12Å; L147-F181 HydrophobicContact CG-CE2 4.49Å; L147-F181 HydrophobicContact CG-CZ 3.86Å
148Y98.3Very high96.8Very high120 Ų12060.7 Ų60.747%0.47131%0.306SS..Hα-helixtrans-57-43.9175.8-171.6-93.6000111.4F144 L151 A179 G180 F181F144-Y148 WeakPolarHBondContact O-CB 3.38Å; F144-Y148 PolarHBondContact O-N 3.3Å; Y148-L151 PolarHBondContact O-N 2.85Å; Y148-A179 WeakPolarHBondContact CD1-O 3.29Å; Y148-A179 VanDerWaalsContact CG-O 3.31Å; Y148-G180 WeakPolarHBondContact CE2-O 3.34Å; Y148-F181 HydrophobicContact CD2-CD1 4.27Å; Y148-F181 HydrophobicContact CD2-CD2 4.1Å; Y148-F181 HydrophobicContact CD2-CE1 4.16Å; Y148-F181 AromaticContact CD2-CE2 3.99Å; Y148-F181 HydrophobicContact CD2-CE2 3.99Å; Y148-F181 HydrophobicContact CD2-CG 4.22Å; Y148-F181 AromaticContact CD2-CZ 4Å; Y148-F181 HydrophobicContact CD2-CZ 4Å; Y148-F181 HydrophobicContact CG-CE2 4.35Å; Y148-F181 HydrophobicContact CG-CZ 4.44Å
149A98.2Very high97Very high48 Ų4855.4 Ų55.440%0.39728%0.284SS..Hα-helixtrans-64.5-40.3177.200000112.8A111 G112 T145 S146 L147 L151A111-A149 CarbonylContact C-O 3.55Å; A111-A149 WeakPolarHBondContact CA-O 3.41Å; A111-A149 WeakPolarHBondContact CB-O 3.32Å; G112-A149 PolarHBondContact N-O 3.4Å; T145-A149 PolarHBondContact O-N 3.46Å; T145-A149 VanDerWaalsContact O-N 3.16Å; S146-A149 PolarHBondContact O-N 3.07Å; L147-A149 VanDerWaalsContact C-N 3.28Å; L147-A149 PolarHBondContact O-N 2.96Å; A149-L151 VanDerWaalsContact C-N 3.29Å; A149-L151 PolarHBondContact O-N 2.8Å
150C98.3Very high97Very high2 Ų256 Ų561%0.01429%0.288CS..Hα-helixtrans-69.4-23.8-178.2-68.70000113.6G112 S113 F114 S146 L147G112-C150 CarbonylContact C-O 3.58Å; S113-C150 PolarHBondContact N-O 2.92Å; F114-C150 HydrophobicContact CD2-CB 4.13Å; F114-C150 HydrophobicContact CE2-CB 4.41Å; F114-C150 PolarHBondContact N-O 3.48Å; F114-C150 VanDerWaalsContact N-O 3.11Å; S146-C150 WeakPolarHBondContact O-CB 3.49Å; S146-C150 PolarHBondContact O-N 2.76Å; S146-C150 PolarHBondContact O-SG 2.98Å; L147-C150 PolarHBondContact O-N 2.85Å; L147-C150 VanDerWaalsContact O-N 3.16Å
151L98.2Very high97Very high15 Ų1557.6 Ų57.68%0.07930%0.295CS..EExtended strand (participates in β ladder)trans-82.7143-179.2-73.8173.7000112.3F114 A117 L147 Y148 A149 A157 F181F114-L151 HydrophobicContact CB-CD2 4.19Å; A117-L151 HydrophobicContact CB-CD2 4.02Å; L147-L151 HydrophobicContact CD1-CD1 4.21Å; L147-L151 HydrophobicContact CD1-CG 4.27Å; L147-L151 HydrophobicContact CG-CD1 4.26Å; L147-L151 WeakPolarHBondContact O-CG 3.49Å; L147-L151 PolarHBondContact O-N 3.36Å; L147-L151 VanDerWaalsContact O-N 3.16Å; Y148-L151 PolarHBondContact O-N 2.85Å; A149-L151 VanDerWaalsContact C-N 3.29Å; A149-L151 PolarHBondContact O-N 2.8Å; L151-A157 HydrophobicContact CD1-CB 4.13Å; L151-F181 HydrophobicContact CD1-CE1 3.72Å; L151-F181 HydrophobicContact CD1-CZ 3.99Å
152S96.2Very high96.9Very high34 Ų3454.4 Ų54.424%0.23828%0.284CS..EExtended strand (participates in β ladder)trans-71.8156.7171.972.80000111.1F114 G154 S155F114-S152 PolarHBondContact O-N 3.09Å; F114-S152 PolarHBondContact O-OG 2.88Å; S152-G154 PolarHBondContact O-N 3.48Å; S152-S155 WeakPolarHBondContact O-CB 3.4Å; S152-S155 PolarHBondContact O-N 3.23Å; S152-S155 PolarHBondContact O-OG 2.96Å; S152-S155 VanDerWaalsContact O-OG 3.12Å; S152-S155 PolarHBondContact OG-OG 3.22Å
153R94.3Very high96.6Very high256 Ų25649.5 Ų49.597%0.96627%0.272SS*.EExtended strand (participates in β ladder)trans-59.9130.5-179.8-71-178.2173.4-179.4-2.1110.2S155R153-S155 VanDerWaalsContact C-N 3.28Å
154G91.8Very high96.1Very high75 Ų7554.1 Ų54.177%0.77329%0.294SS*.EExtended strand (participates in β ladder)trans81.81-17800000114.7S152S152-G154 PolarHBondContact O-N 3.48Å
155S95.3Very high95.7Very high28 Ų2857.5 Ų57.520%0.19631%0.312CS..EExtended strand (participates in β ladder)trans-71.1154.9173-690000112.7F114 Q115 S152 R153F114-S155 PolarHBondContact O-OG 2.96Å; Q115-S155 VanDerWaalsContact CA-OG 3.28Å; Q115-S155 WeakPolarHBondContact CA-OG 3.39Å; Q115-S155 WeakPolarHBondContact O-CB 3.29Å; Q115-S155 PolarHBondContact O-OG 3.36Å; S152-S155 WeakPolarHBondContact O-CB 3.4Å; S152-S155 PolarHBondContact O-N 3.23Å; S152-S155 PolarHBondContact O-OG 2.96Å; S152-S155 VanDerWaalsContact O-OG 3.12Å; S152-S155 PolarHBondContact OG-OG 3.22Å; R153-S155 VanDerWaalsContact C-N 3.28Å
156T96Very high95.4Very high53 Ų5358 Ų5833%0.32532%0.323SS..EExtended strand (participates in β ladder)trans-108.8154.1179.5510000110.8L45 G116 A117L45-T156 WeakPolarHBondContact CA-OG1 3.32Å; L45-T156 PolarHBondContact O-OG1 3.45Å; G116-T156 VanDerWaalsContact CA-O 3.23Å; G116-T156 WeakPolarHBondContact CA-O 3.43Å; A117-T156 PolarHBondContact N-O 2.71Å; A117-T156 VanDerWaalsContact N-O 3.14Å
157A98.2Very high95Very high36 Ų3662.7 Ų62.730%0.29835%0.346SS..EExtended strand (participates in β ladder)trans-128.9132.6168.800000109.7A117 L147 L151 L159 F181A117-A157 HydrophobicContact CB-CB 4.29Å; A117-A157 CarbonylContact O-C 3.57Å; A117-A157 WeakPolarHBondContact O-CA 3.36Å; L147-A157 HydrophobicContact CD2-CB 4.49Å; L151-A157 HydrophobicContact CD1-CB 4.13Å; A157-L159 HydrophobicContact CB-CD2 4.34Å; A157-L159 HydrophobicContact CB-CG 4.46Å; A157-F181 HydrophobicContact CB-CE1 4.42Å
158A97.9Very high94.7Very high11 Ų1163.6 Ų63.69%0.09135%0.351CS..EExtended strand (participates in β ladder)trans-115.8109.117600000108.8A41 L44 L45 A117 I118 S119A41-A158 HydrophobicContact CB-CB 4.07Å; A41-A158 WeakPolarHBondContact O-CB 3.31Å; L44-A158 HydrophobicContact CB-CB 4.14Å; L45-A158 HydrophobicContact CD2-CB 3.73Å; L45-A158 HydrophobicContact CG-CB 4.28Å; A117-A158 PolarHBondContact O-N 2.89Å; I118-A158 CarbonylContact C-O 3.56Å; I118-A158 WeakPolarHBondContact CA-O 3.44Å; S119-A158 PolarHBondContact N-O 3.2Å
159L97.8Very high94.5Very high37 Ų3759.3 Ų59.319%0.19434%0.337CS..EExtended strand (participates in β ladder)trans-118.1100.1-172.9-46.5177.4000109.1I58 S119 L123 F143 F144 L147 A157 F161I58-L159 HydrophobicContact CD1-CD2 4.32Å; S119-L159 VanDerWaalsContact CB-CD2 3.42Å; S119-L159 CarbonylContact O-C 3.59Å; S119-L159 WeakPolarHBondContact O-CA 3.38Å; L123-L159 HydrophobicContact CD1-CB 3.72Å; L123-L159 HydrophobicContact CD1-CD1 4Å; L123-L159 HydrophobicContact CD2-CD1 4.46Å; L123-L159 HydrophobicContact CG-CB 4.41Å; F143-L159 HydrophobicContact CE1-CD1 4.29Å; F144-L159 HydrophobicContact CE1-CD1 3.71Å; F144-L159 HydrophobicContact CZ-CD1 4.28Å; L147-L159 HydrophobicContact CD2-CD1 4.18Å; L147-L159 HydrophobicContact CD2-CD2 4.39Å; A157-L159 HydrophobicContact CB-CD2 4.34Å; A157-L159 HydrophobicContact CB-CG 4.46Å; L159-F161 WeakPolarHBondContact O-CD1 3.36Å
160Q97Very high94.2Very high42 Ų4259.5 Ų59.520%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-83.2135.3172.8-176.3-82.1-34.800109.9I37 S119 S121I37-Q160 HydrophobicContact CG2-CB 3.88Å; I37-Q160 HydrophobicContact CG2-CG 3.6Å; S119-Q160 PolarHBondContact O-N 3.39Å; S121-Q160 PolarHBondContact N-O 3Å; S121-Q160 PolarHBondContact OG-OE1 2.98Å
161F95.4Very high94Very high37 Ų3761.5 Ų61.516%0.16234%0.343CS..  trans-150.6165.8179.663.5-79.5000111.7L123 L159 P163 V169 I172L123-F161 HydrophobicContact CB-CB 3.76Å; L123-F161 HydrophobicContact CB-CG 4.17Å; L123-F161 HydrophobicContact CD1-CB 4.34Å; L123-F161 HydrophobicContact CD1-CD1 3.81Å; L123-F161 HydrophobicContact CD1-CE1 4.38Å; L123-F161 HydrophobicContact CD1-CG 4.17Å; L123-F161 HydrophobicContact CG-CB 4.34Å; L159-F161 WeakPolarHBondContact O-CD1 3.36Å; F161-P163 HydrophobicContact CD2-CB 4.23Å; F161-P163 HydrophobicContact CD2-CG 4.35Å; F161-P163 HydrophobicContact CE2-CB 3.93Å; F161-P163 HydrophobicContact CE2-CG 4.06Å; F161-P163 WeakPolarHBondContact O-CD 3.44Å; F161-V169 HydrophobicContact CE2-CG2 4.29Å; F161-I172 HydrophobicContact CD2-CD1 3.76Å; F161-I172 HydrophobicContact CE2-CD1 3.54Å; F161-I172 HydrophobicContact CZ-CD1 4.16Å; F161-I172 HydrophobicContact CZ-CG2 4.44Å
162Y92.5Very high93.9Very high97 Ų9761.1 Ų61.138%0.3834%0.341SS..  trans-109.996.2176.3-61.6-69.4000109.7R5 S121 Q124R5-Y162 PolarHBondContact NH2-O 2.93Å; S121-Y162 WeakPolarHBondContact OG-CE2 3.45Å; Q124-Y162 VanDerWaalsContact CB-O 3.29Å; Q124-Y162 WeakPolarHBondContact CB-O 3.43Å
163P91.3Very high93.8Very high53 Ų5361 Ų6134%0.34434%0.34SS..  trans-68.4154178.225.4-31.3000112.6R5 F161 V169R5-P163 PolarHBondContact NH1-O 3.38Å; F161-P163 HydrophobicContact CD2-CB 4.23Å; F161-P163 HydrophobicContact CD2-CG 4.35Å; F161-P163 HydrophobicContact CE2-CB 3.93Å; F161-P163 HydrophobicContact CE2-CG 4.06Å; F161-P163 WeakPolarHBondContact O-CD 3.44Å; P163-V169 HydrophobicContact CB-CG2 3.39Å; P163-V169 HydrophobicContact CG-CG2 3.62Å
164E87.9Confident93.8Very high97 Ų9755.6 Ų55.645%0.45332%0.319SS..SBendtrans-82.5-40.4169.1-170.6178.6-163.700112.4H8H8-E164 IonicContact CE1-OE1 3.44Å; H8-E164 PolarHBondContact CE1-OE1 2.87Å; H8-E164 IonicContact NE2-OE1 3.82Å
165N89.8Confident94.1Very high75 Ų7552.6 Ų52.640%0.40129%0.285SS..SBendtrans-156.9169.8-177.151.757.2000110L167 Q168 V169N165-L167 PolarHBondContact O-N 3.37Å; N165-L167 WeakPolarHBondContact OD1-CB 3.48Å; N165-L167 PolarHBondContact OD1-N 2.91Å; N165-Q168 PolarHBondContact O-N 2.79Å; N165-Q168 VanDerWaalsContact O-N 3.14Å; N165-Q168 PolarHBondContact OD1-N 3.5Å; N165-V169 PolarHBondContact O-N 3.34Å
166A91.2Very high94.1Very high83 Ų8352.1 Ų52.169%0.68628%0.283SS*.Hα-helixtrans-60.6-29.5179.800000113V169 D170A166-V169 WeakPolarHBondContact O-CB 3.21Å; A166-V169 PolarHBondContact O-N 2.98Å; A166-D170 PolarHBondContact O-N 3.45Å
167L91.3Very high94.2Very high117 Ų11754.8 Ų54.861%0.61329%0.293SS*.Hα-helixtrans-64.7-41.9176.3177.664.9000111.2N165 V169 D170 V171N165-L167 PolarHBondContact O-N 3.37Å; N165-L167 WeakPolarHBondContact OD1-CB 3.48Å; N165-L167 PolarHBondContact OD1-N 2.91Å; L167-V169 VanDerWaalsContact C-N 3.31Å; L167-V169 PolarHBondContact O-N 3.39Å; L167-D170 PolarHBondContact O-N 3.48Å; L167-V171 HydrophobicContact CD1-CG2 4.36Å; L167-V171 HydrophobicContact CG-CG2 4.49Å; L167-V171 VanDerWaalsContact O-CG2 3.32Å; L167-V171 WeakPolarHBondContact O-CG2 3.27Å; L167-V171 PolarHBondContact O-N 3.31Å
168Q92Very high94.1Very high19 Ų1960.9 Ų60.99%0.08931%0.312CS..Hα-helixtrans-62.8-40177.1-163.1-176.657.100111.6C127 N165 V171 I172C127-Q168 HydrophobicContact CB-CG 3.94Å; C127-Q168 VanDerWaalsContact SG-CG 3.53Å; N165-Q168 PolarHBondContact O-N 2.79Å; N165-Q168 VanDerWaalsContact O-N 3.14Å; N165-Q168 PolarHBondContact OD1-N 3.5Å; Q168-V171 PolarHBondContact O-N 2.85Å; Q168-I172 HydrophobicContact CG-CD1 4.25Å; Q168-I172 VanDerWaalsContact O-CG1 3.27Å; Q168-I172 WeakPolarHBondContact O-CG1 3.42Å; Q168-I172 PolarHBondContact O-N 3.33Å
169V93.6Very high94.1Very high30 Ų3061.2 Ų61.218%0.18232%0.315CS..Hα-helixtrans-60-46.9174.3177.90000111.4F161 P163 N165 A166 L167 I172 T173 I185F161-V169 HydrophobicContact CE2-CG2 4.29Å; P163-V169 HydrophobicContact CB-CG2 3.39Å; P163-V169 HydrophobicContact CG-CG2 3.62Å; N165-V169 PolarHBondContact O-N 3.34Å; A166-V169 WeakPolarHBondContact O-CB 3.21Å; A166-V169 PolarHBondContact O-N 2.98Å; L167-V169 VanDerWaalsContact C-N 3.31Å; L167-V169 PolarHBondContact O-N 3.39Å; V169-I172 PolarHBondContact O-N 3.1Å; V169-T173 WeakPolarHBondContact O-CB 3.3Å; V169-T173 PolarHBondContact O-N 3.44Å; V169-T173 PolarHBondContact O-OG1 3.39Å; V169-I185 HydrophobicContact CG1-CD1 3.28Å; V169-I185 HydrophobicContact CG1-CG1 4.42Å
170D93.2Very high94Very high52 Ų5261.2 Ų61.228%0.27833%0.325SS..Hα-helixtrans-63.8-42.5178.3174.462.3000111.7A166 L167 T173 R174A166-D170 PolarHBondContact O-N 3.45Å; L167-D170 PolarHBondContact O-N 3.48Å; D170-T173 PolarHBondContact O-N 2.96Å; D170-R174 VanDerWaalsContact CG-CZ 3.41Å; D170-R174 WeakPolarHBondContact O-CB 3.35Å; D170-R174 WeakPolarHBondContact O-CG 3.33Å; D170-R174 PolarHBondContact O-N 2.94Å; D170-R174 IonicContact OD1-CZ 3.25Å; D170-R174 VanDerWaalsContact OD1-CZ 3.25Å; D170-R174 IonicContact OD1-NE 2.79Å; D170-R174 PolarHBondContact OD1-NE 2.96Å; D170-R174 IonicContact OD1-NH2 3.11Å; D170-R174 PolarHBondContact OD1-NH2 2.92Å; D170-R174 VanDerWaalsContact OD1-NH2 3.11Å; D170-R174 IonicContact OD2-CZ 2.79Å; D170-R174 IonicContact OD2-NE 2.98Å; D170-R174 PolarHBondContact OD2-NE 3.02Å; D170-R174 IonicContact OD2-NH1 3.29Å; D170-R174 PolarHBondContact OD2-NH1 3.35Å; D170-R174 IonicContact OD2-NH2 2.86Å; D170-R174 PolarHBondContact OD2-NH2 2.77Å
171V93.7Very high94Very high44 Ų4461.2 Ų61.227%0.26732%0.324SS..Hα-helixtrans-60.7-49175.9170.80000111.5L137 L140 L167 Q168 T173 R174 Q175L137-V171 HydrophobicContact CD1-CG1 3.95Å; L140-V171 HydrophobicContact CD1-CG1 4.01Å; L167-V171 HydrophobicContact CD1-CG2 4.36Å; L167-V171 HydrophobicContact CG-CG2 4.49Å; L167-V171 VanDerWaalsContact O-CG2 3.32Å; L167-V171 WeakPolarHBondContact O-CG2 3.27Å; L167-V171 PolarHBondContact O-N 3.31Å; Q168-V171 PolarHBondContact O-N 2.85Å; V171-T173 PolarHBondContact O-N 3.49Å; V171-R174 PolarHBondContact O-N 2.81Å; V171-Q175 WeakPolarHBondContact O-CG 3.43Å; V171-Q175 PolarHBondContact O-N 3.11Å
172I95Very high93.9Very high7 Ų765.2 Ų65.24%0.03636%0.356CS..Hα-helixtrans-58.4-49.9178.1-70.2167.7000110.1L123 L140 F144 F161 Q168 V169 R174 Q175 A176L123-I172 HydrophobicContact CB-CD1 4.48Å; L123-I172 HydrophobicContact CD1-CG2 4.04Å; L140-I172 HydrophobicContact CD1-CG1 4.42Å; L140-I172 HydrophobicContact CD2-CG1 4.34Å; F144-I172 HydrophobicContact CE2-CG2 4.06Å; F144-I172 HydrophobicContact CZ-CG2 3.82Å; F161-I172 HydrophobicContact CD2-CD1 3.76Å; F161-I172 HydrophobicContact CE2-CD1 3.54Å; F161-I172 HydrophobicContact CZ-CD1 4.16Å; F161-I172 HydrophobicContact CZ-CG2 4.44Å; Q168-I172 HydrophobicContact CG-CD1 4.25Å; Q168-I172 VanDerWaalsContact O-CG1 3.27Å; Q168-I172 WeakPolarHBondContact O-CG1 3.42Å; Q168-I172 PolarHBondContact O-N 3.33Å; V169-I172 PolarHBondContact O-N 3.1Å; I172-R174 PolarHBondContact O-N 3.15Å; I172-Q175 PolarHBondContact O-N 3.29Å; I172-A176 PolarHBondContact O-N 3.24Å
173T94.8Very high93.8Very high33 Ų3363.9 Ų63.920%0.20237%0.373CS..Hα-helixtrans-62-43.8-177.9-55.50000111.5V169 D170 V171 Q175 A176 M177V169-T173 WeakPolarHBondContact O-CB 3.3Å; V169-T173 PolarHBondContact O-N 3.44Å; V169-T173 PolarHBondContact O-OG1 3.39Å; D170-T173 PolarHBondContact O-N 2.96Å; V171-T173 PolarHBondContact O-N 3.49Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3Å; T173-A176 PolarHBondContact O-N 3.5Å; T173-M177 HydrophobicContact CG2-CE 3.79Å; T173-M177 HydrophobicContact CG2-SD 4.26Å; T173-M177 WeakPolarHBondContact O-CG 3.15Å; T173-M177 PolarHBondContact O-N 3.07Å
174R95.4Very high93.7Very high141 Ų14164 Ų6453%0.53238%0.383SS..Hα-helixtrans-62.4-38.8175.9-74.3175.9-172.6-177.34.4112.4D170 V171 I172 K178D170-R174 VanDerWaalsContact CG-CZ 3.41Å; D170-R174 WeakPolarHBondContact O-CB 3.35Å; D170-R174 WeakPolarHBondContact O-CG 3.33Å; D170-R174 PolarHBondContact O-N 2.94Å; D170-R174 IonicContact OD1-CZ 3.25Å; D170-R174 VanDerWaalsContact OD1-CZ 3.25Å; D170-R174 IonicContact OD1-NE 2.79Å; D170-R174 PolarHBondContact OD1-NE 2.96Å; D170-R174 IonicContact OD1-NH2 3.11Å; D170-R174 PolarHBondContact OD1-NH2 2.92Å; D170-R174 VanDerWaalsContact OD1-NH2 3.11Å; D170-R174 IonicContact OD2-CZ 2.79Å; D170-R174 IonicContact OD2-NE 2.98Å; D170-R174 PolarHBondContact OD2-NE 3.02Å; D170-R174 IonicContact OD2-NH1 3.29Å; D170-R174 PolarHBondContact OD2-NH1 3.35Å; D170-R174 IonicContact OD2-NH2 2.86Å; D170-R174 PolarHBondContact OD2-NH2 2.77Å; V171-R174 PolarHBondContact O-N 2.81Å; I172-R174 PolarHBondContact O-N 3.15Å; R174-K178 WeakPolarHBondContact O-CB 3.33Å; R174-K178 VanDerWaalsContact O-CG 3.27Å; R174-K178 WeakPolarHBondContact O-CG 3.21Å; R174-K178 PolarHBondContact O-N 2.83Å
175Q96.5Very high93.9Very high12 Ų1262.4 Ų62.46%0.05638%0.377CS..Hα-helixtrans-68.6-39.1176.8-67.2-42.4-62.600112.1L137 L140 F144 V171 I172 T173 K178 A179L137-Q175 HydrophobicContact CD1-CG 3.99Å; L137-Q175 VanDerWaalsContact CD1-NE2 3.28Å; L140-Q175 HydrophobicContact CB-CB 4.37Å; L140-Q175 HydrophobicContact CB-CG 3.98Å; F144-Q175 HydrophobicContact CD2-CB 3.65Å; F144-Q175 HydrophobicContact CE2-CB 4.1Å; V171-Q175 WeakPolarHBondContact O-CG 3.43Å; V171-Q175 PolarHBondContact O-N 3.11Å; I172-Q175 PolarHBondContact O-N 3.29Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3Å; Q175-K178 PolarHBondContact O-N 3.46Å; Q175-A179 PolarHBondContact O-N 2.98Å; Q175-A179 VanDerWaalsContact O-N 3.11Å
176A96.9Very high93.9Very high18 Ų1860.9 Ų60.915%0.14937%0.37CS..Hα-helixtrans-60.5-50.2173.500000111.2F144 I172 T173 K178 A179 G180 F181F144-A176 HydrophobicContact CD1-CB 3.74Å; F144-A176 HydrophobicContact CD2-CB 4.46Å; F144-A176 HydrophobicContact CE1-CB 3.58Å; F144-A176 HydrophobicContact CE2-CB 4.32Å; F144-A176 HydrophobicContact CG-CB 4.2Å; F144-A176 HydrophobicContact CZ-CB 3.89Å; I172-A176 PolarHBondContact O-N 3.24Å; T173-A176 PolarHBondContact O-N 3.5Å; A176-K178 VanDerWaalsContact C-N 3.34Å; A176-K178 PolarHBondContact O-N 2.94Å; A176-A179 WeakPolarHBondContact O-CB 3.28Å; A176-A179 PolarHBondContact O-N 3.19Å; A176-A179 VanDerWaalsContact O-N 3.1Å; A176-G180 PolarHBondContact O-N 3.47Å; A176-F181 HydrophobicContact CB-CB 4.27Å; A176-F181 HydrophobicContact CB-CD2 4.3Å; A176-F181 WeakPolarHBondContact O-CB 3.29Å; A176-F181 WeakPolarHBondContact O-CD2 3.49Å; A176-F181 PolarHBondContact O-N 2.77Å; A176-F181 VanDerWaalsContact O-N 3.15Å
177M96.3Very high93.8Very high109 Ų10962.3 Ų62.354%0.53737%0.365SS..Hα-helixtrans-60-42.2178.3-71.3179.3175.100112.3T173 A179 G180T173-M177 HydrophobicContact CG2-CE 3.79Å; T173-M177 HydrophobicContact CG2-SD 4.26Å; T173-M177 WeakPolarHBondContact O-CG 3.15Å; T173-M177 PolarHBondContact O-N 3.07Å; M177-A179 VanDerWaalsContact C-N 3.26Å; M177-A179 PolarHBondContact O-N 3.17Å; M177-G180 PolarHBondContact O-N 2.84Å
178K96.9Very high93.5Very high164 Ų16458.9 Ų58.971%0.71335%0.347SS*.Hα-helixtrans-62.8-30.1176-79.1179.5177.6-174.90113.6R174 Q175 A176 G180R174-K178 WeakPolarHBondContact O-CB 3.33Å; R174-K178 VanDerWaalsContact O-CG 3.27Å; R174-K178 WeakPolarHBondContact O-CG 3.21Å; R174-K178 PolarHBondContact O-N 2.83Å; Q175-K178 PolarHBondContact O-N 3.46Å; A176-K178 VanDerWaalsContact C-N 3.34Å; A176-K178 PolarHBondContact O-N 2.94Å; K178-G180 VanDerWaalsContact C-N 3.26Å
179A97.2Very high92.9Very high18 Ų1864.9 Ų64.915%0.14937%0.37CS..Hα-helixtrans-76.4-13.4175.400000113.2F144 Y148 Q175 A176 M177 F181F144-A179 HydrophobicContact CB-CB 3.7Å; Y148-A179 WeakPolarHBondContact CD1-O 3.29Å; Y148-A179 VanDerWaalsContact CG-O 3.31Å; Q175-A179 PolarHBondContact O-N 2.98Å; Q175-A179 VanDerWaalsContact O-N 3.11Å; A176-A179 WeakPolarHBondContact O-CB 3.28Å; A176-A179 PolarHBondContact O-N 3.19Å; A176-A179 VanDerWaalsContact O-N 3.1Å; M177-A179 VanDerWaalsContact C-N 3.26Å; M177-A179 PolarHBondContact O-N 3.17Å; A179-F181 HydrophobicContact CB-CD2 4.21Å; A179-F181 HydrophobicContact CB-CE2 4.4Å
180G96.5Very high91.8Very high38 Ų3866.4 Ų66.439%0.39238%0.381SS..THydrogen-bonded Turntrans111.82.717900000114.6Y148 A176 M177 K178Y148-G180 WeakPolarHBondContact CE2-O 3.34Å; A176-G180 PolarHBondContact O-N 3.47Å; M177-G180 PolarHBondContact O-N 2.84Å; K178-G180 VanDerWaalsContact C-N 3.26Å
181F96.8Very high89.6Confident42 Ų4268.8 Ų68.818%0.18439%0.39CS..  trans-69.7139.8174.2-70.6-80.3000111.3F144 L147 Y148 L151 A157 A176 A179F144-F181 HydrophobicContact CD1-CD2 4.16Å; F144-F181 HydrophobicContact CD1-CE2 4.03Å; L147-F181 HydrophobicContact CB-CZ 4.3Å; L147-F181 HydrophobicContact CD2-CZ 4.12Å; L147-F181 HydrophobicContact CG-CE2 4.49Å; L147-F181 HydrophobicContact CG-CZ 3.86Å; Y148-F181 HydrophobicContact CD2-CD1 4.27Å; Y148-F181 HydrophobicContact CD2-CD2 4.1Å; Y148-F181 HydrophobicContact CD2-CE1 4.16Å; Y148-F181 AromaticContact CD2-CE2 3.99Å; Y148-F181 HydrophobicContact CD2-CE2 3.99Å; Y148-F181 HydrophobicContact CD2-CG 4.22Å; Y148-F181 AromaticContact CD2-CZ 4Å; Y148-F181 HydrophobicContact CD2-CZ 4Å; Y148-F181 HydrophobicContact CG-CE2 4.35Å; Y148-F181 HydrophobicContact CG-CZ 4.44Å; L151-F181 HydrophobicContact CD1-CE1 3.72Å; L151-F181 HydrophobicContact CD1-CZ 3.99Å; A157-F181 HydrophobicContact CB-CE1 4.42Å; A176-F181 HydrophobicContact CB-CB 4.27Å; A176-F181 HydrophobicContact CB-CD2 4.3Å; A176-F181 WeakPolarHBondContact O-CB 3.29Å; A176-F181 WeakPolarHBondContact O-CD2 3.49Å; A176-F181 PolarHBondContact O-N 2.77Å; A176-F181 VanDerWaalsContact O-N 3.15Å; A179-F181 HydrophobicContact CB-CD2 4.21Å; A179-F181 HydrophobicContact CB-CE2 4.4Å
182S94Very high87.2Confident120 Ų12075.4 Ų75.484%0.83942%0.421SS*.  trans-111.3157.6161.157.90000109.1
183G89.8Confident84.1Confident70 Ų7082.6 Ų82.672%0.72246%0.458SS*.  trans141.9-156.4-177.700000111.9
184G90.1Very high81.1Confident55 Ų5588.6 Ų88.657%0.56748%0.482SS*.  trans-156.7-176-17800000112.7
185I91.1Very high78Confident64 Ų6488.9 Ų88.933%0.32850%0.5SS..  trans-98.4130.8175.5-62.5158.4000107.7V169 I187V169-I185 HydrophobicContact CG1-CD1 3.28Å; V169-I185 HydrophobicContact CG1-CG1 4.42Å; I185-I187 HydrophobicContact CG2-CG1 4Å
186V90.6Very high75Confident42 Ų4292.3 Ų92.326%0.25554%0.538SS..  trans-103130.2170.8-1790000107.9L44 P202L44-V186 HydrophobicContact CD1-CB 4.46Å; L44-V186 HydrophobicContact CD2-CG1 4.5Å; L44-V186 HydrophobicContact CD2-CG2 4.23Å; V186-P202 HydrophobicContact CG2-CB 4.02Å; V186-P202 HydrophobicContact CG2-CG 3.85Å
187I89.1Confident72.1Confident113 Ų11395.2 Ų95.258%0.57957%0.569SS**  trans-119.7102.3175.2-55.5177000106.4I185 P190 A204I185-I187 HydrophobicContact CG2-CG1 4Å; I187-P190 HydrophobicContact CG2-CB 4.17Å; I187-P190 WeakPolarHBondContact O-CD 3.27Å; I187-A204 WeakPolarHBondContact O-CB 3.49Å
188D85Confident69.1Low45 Ų45101.3 Ų101.324%0.24159%0.588CS.*SBendtrans-75.8145.5172.6-69.6-37.2000110.2R40 A204 L205R40-D188 WeakPolarHBondContact CG-OD2 3.5Å; R40-D188 IonicContact CZ-OD1 2.75Å; R40-D188 IonicContact CZ-OD2 2.76Å; R40-D188 IonicContact NE-OD1 3.5Å; R40-D188 PolarHBondContact NE-OD1 3.08Å; R40-D188 IonicContact NE-OD2 2.68Å; R40-D188 PolarHBondContact NE-OD2 3.05Å; R40-D188 IonicContact NH2-OD1 2.67Å; R40-D188 PolarHBondContact NH2-OD1 2.89Å; R40-D188 IonicContact NH2-OD2 2.83Å; D188-A204 WeakPolarHBondContact OD1-CA 3.41Å; D188-L205 HydrophobicContact CB-CB 4.33Å; D188-L205 PolarHBondContact OD1-N 3.39Å
189Y78.8Confident66Low146 Ų146105 Ų10557%0.57360%0.598SS**SBendtrans52.951-175.9-48.8-78.2000115E191 L205Y189-E191 PolarHBondContact O-N 3.19Å; Y189-L205 HydrophobicContact CE1-CB 4.25Å; Y189-L205 HydrophobicContact CE2-CB 4.22Å; Y189-L205 HydrophobicContact CE2-CD1 4.42Å; Y189-L205 PolarHBondContact N-O 3.25Å
190P69.6Low63Low62 Ų62113.7 Ų113.740%0.40364%0.635SS.*G310 helixtrans-68.5-22179.129.5-32.8000112.5I187 M192I187-P190 HydrophobicContact CG2-CB 4.17Å; I187-P190 WeakPolarHBondContact O-CD 3.27Å; P190-M192 VanDerWaalsContact C-N 3.3Å; P190-M192 PolarHBondContact O-N 3.25Å; P190-M192 VanDerWaalsContact O-N 3.13Å
191E47.9Very low60.3Low101 Ų101117 Ų11747%0.47264%0.644SS.*G310 helixtrans-8523.7-164.9-51-156.9165.500115.7Y189 L193 F194Y189-E191 PolarHBondContact O-N 3.19Å; E191-L193 PolarHBondContact O-N 2.94Å; E191-F194 HydrophobicContact CB-CE1 4.27Å; E191-F194 HydrophobicContact CB-CE2 4.22Å; E191-F194 HydrophobicContact CB-CZ 3.97Å; E191-F194 VanDerWaalsContact O-CE2 3.27Å; E191-F194 WeakPolarHBondContact O-CE2 3.33Å; E191-F194 WeakPolarHBondContact OE2-CE1 3.38Å; E191-F194 WeakPolarHBondContact OE2-CZ 3.42Å
192M43Very low58Low184 Ų184118.5 Ų118.591%0.90666%0.657SS**G310 helixtrans-76.28155.3-74.6-154.5-79.800112.9P190P190-M192 VanDerWaalsContact C-N 3.3Å; P190-M192 PolarHBondContact O-N 3.25Å; P190-M192 VanDerWaalsContact O-N 3.13Å
193L30.8Very low55.7Low158 Ų158116.4 Ų116.483%0.82764%0.639SS**SBendtrans-141105.6162.6-87.2153.6000109.3E191E191-L193 PolarHBondContact O-N 2.94Å
194F30.4Very low53.9Low158 Ų158114.2 Ų114.269%0.69362%0.615SS**  trans-86.1118.6172.8-77.4-88.2000110.6E191E191-F194 HydrophobicContact CB-CE1 4.27Å; E191-F194 HydrophobicContact CB-CE2 4.22Å; E191-F194 HydrophobicContact CB-CZ 3.97Å; E191-F194 VanDerWaalsContact O-CE2 3.27Å; E191-F194 WeakPolarHBondContact O-CE2 3.33Å; E191-F194 WeakPolarHBondContact OE2-CE1 3.38Å; E191-F194 WeakPolarHBondContact OE2-CZ 3.42Å
195T30Very low52Low148 Ų148114.6 Ų114.691%0.90860%0.603SS**  trans-175.8107.2138.648.10000110.9
196G34.9Very low49.6Very low83 Ų83115 Ų11586%0.85661%0.609SS**  trans87.2120143.600000121.1
197G36.1Very low47.3Very low79 Ų79119.5 Ų119.581%0.81464%0.636SS**  trans102.1121.5138.200000119
198Y32.2Very low44.6Very low238 Ų238121.8 Ų121.893%0.93365%0.645SS**  trans-70.1140.4-168.3-75.6-102000117.7
199R32.6Very low42.2Very low241 Ų241126.8 Ų126.891%0.90967%0.671SS**  trans-158.7127.8147.7-129.7173.9174.8-179.4-1.8111.6L201R199-L201 PolarHBondContact O-N 3.1Å
200Q33.7Very low40Very low200 Ų200128.7 Ų128.794%0.93569%0.685SS**  trans-69.3124-172.7-81175.9-4.400113.5
201L40.8Very low38.1Very low109 Ų109131.1 Ų131.157%0.57170%0.699SS**  trans-134165.6172-77.5162.3000106.9R199 T203R199-L201 PolarHBondContact O-N 3.1Å; L201-T203 PolarHBondContact O-N 3.18Å
202P46.8Very low37.1Very low72 Ų72135 Ų13547%0.46872%0.717SS.*SBendtrans-49.6132.7173-21.229.8000109.9L44 V186 A204L44-P202 HydrophobicContact CD2-CB 4.41Å; V186-P202 HydrophobicContact CG2-CB 4.02Å; V186-P202 HydrophobicContact CG2-CG 3.85Å; P202-A204 PolarHBondContact O-N 3.21Å
203T46Very low36.3Very low76 Ų76131 Ų13147%0.46670%0.703SS.*  trans-53.3111.2-168.7-510000110.6R40 L201R40-T203 PolarHBondContact NH2-O 3.07Å; L201-T203 PolarHBondContact O-N 3.18Å
204A52.3Low36.1Very low25 Ų25132.6 Ų132.621%0.20771%0.706CS.*  trans-60.1139169.200000108.5I187 D188 P202 T206I187-A204 WeakPolarHBondContact O-CB 3.49Å; D188-A204 WeakPolarHBondContact OD1-CA 3.41Å; P202-A204 PolarHBondContact O-N 3.21Å; A204-T206 PolarHBondContact O-N 2.95Å; A204-T206 VanDerWaalsContact O-N 3.1Å
205L51.4Low35.9Very low63 Ų63129.5 Ų129.533%0.3370%0.703SS.*  trans-61.3117.5173-69.7166.8000109.1D188 Y189D188-L205 HydrophobicContact CB-CB 4.33Å; D188-L205 PolarHBondContact OD1-N 3.39Å; Y189-L205 HydrophobicContact CE1-CB 4.25Å; Y189-L205 HydrophobicContact CE2-CB 4.22Å; Y189-L205 HydrophobicContact CE2-CD1 4.42Å; Y189-L205 PolarHBondContact N-O 3.25Å
206T40Very low35.7Very low71 Ų71131 Ų13144%0.43670%0.704SS.*  trans-108.3161.2166570000108.9A204 Q208A204-T206 PolarHBondContact O-N 2.95Å; A204-T206 VanDerWaalsContact O-N 3.1Å; T206-Q208 PolarHBondContact O-N 3.48Å
207T41.9Very low35.6Very low137 Ų137131.9 Ų131.984%0.8469%0.693SS**SBendtrans-65.73.3-173.837.90000115.1
208Q33.7Very low35.2Very low161 Ų161134.1 Ų134.175%0.75269%0.686SS**SBendtrans-132.2107.6179.1-64.5-172.6-4.400111.4T206T206-Q208 PolarHBondContact O-N 3.48Å
209N33.5Very low35.2Very low150 Ų150132 Ų13280%0.80269%0.685SS**  trans37.7123.1153.4-70-23.2000121.1V211N209-V211 PolarHBondContact O-N 3.07Å
210H33Very low35.4Very low187 Ų187130.1 Ų130.187%0.86668%0.678SS**  trans-1108.9153.4-78.5-72.5000117.5
211V29.8Very low35.3Very low112 Ų112127.3 Ų127.368%0.67967%0.674SS**  trans-120.2115.3154.7-177.30000107.7N209 T213N209-V211 PolarHBondContact O-N 3.07Å; V211-T213 PolarHBondContact O-N 3.42Å
212Q26.7Very low35.1Very low183 Ų183130.1 Ų130.186%0.85568%0.678SS**  trans-62.3130.2172.9-71.8174.4-6.700109
213T26.9Very low34.9Very low101 Ų101136 Ų13662%0.6270%0.696SS**  trans-126119.8168.9-48.80000108.4V211 C215V211-T213 PolarHBondContact O-N 3.42Å; T213-C215 PolarHBondContact O-N 2.95Å
214E25.2Very low34.4Very low191 Ų191138.6 Ų138.689%0.89371%0.714SS**  trans-73.6118.3177.9-65.6-179.5157.900109.8
215C26Very low34Very low92 Ų92140.5 Ų140.562%0.62274%0.737SS**  trans-87.8117.2162.4-70.90000108.8T213 V217T213-C215 PolarHBondContact O-N 2.95Å; C215-V217 VanDerWaalsContact C-N 3.33Å; C215-V217 PolarHBondContact O-N 3.19Å
216L25.7Very low33.6Very low179 Ų179140.6 Ų140.694%0.93775%0.752SS**  trans-6689.9168.1-95.9141.1000109.6
217V32.4Very low33.8Very low103 Ų103147.5 Ų147.562%0.62478%0.776SS**  trans-82.3116.3164.8-174.60000106.8C215 E219C215-V217 VanDerWaalsContact C-N 3.33Å; C215-V217 PolarHBondContact O-N 3.19Å; V217-E219 PolarHBondContact O-N 2.95Å
218N29.7Very low34.5Very low125 Ų125145.9 Ų145.967%0.66876%0.761SS**  trans-57.3107.5172.5-108.9-24.4000109.2R220N218-R220 PolarHBondContact O-N 2.79Å
219E31.5Very low35.8Very low193 Ų193144 Ų14490%0.90276%0.761SS**  trans-60.8102171-77.7-173.6144.800109.3V217V217-E219 PolarHBondContact O-N 2.95Å
220R35.7Very low37.5Very low203 Ų203144.8 Ų144.877%0.76675%0.753SS**  trans-135.9104.1171.2-69.5-170.4178175.1-0.8111.7N218N218-R220 PolarHBondContact O-N 2.79Å
221T31.6Very low39.3Very low140 Ų140138.1 Ų138.186%0.85972%0.721SS**  trans40.587.1157.555.40000116.4
222R38.2Very low41.6Very low169 Ų169134.7 Ų134.764%0.63870%0.701SS**  trans-68.4134.4163.3-67.3-175.7-176.6154.38.2110.3E51E51-R222 IonicContact OE1-CZ 2.8Å; E51-R222 IonicContact OE1-NH1 3.93Å; E51-R222 PolarHBondContact OE1-NH1 3.34Å; E51-R222 IonicContact OE2-CZ 2.76Å; E51-R222 IonicContact OE2-NH1 3.78Å; E51-R222 PolarHBondContact OE2-NH1 3.23Å
223F41.4Very low44Very low194 Ų194130.6 Ų130.685%0.85169%0.69SS**  trans-59.7141.7165.8-76.1-92.8000109.9G225F223-G225 VanDerWaalsContact C-N 3.3Å; F223-G225 PolarHBondContact O-N 3.07Å
224P36.1Very low46.5Very low131 Ų131129.9 Ų129.985%0.85168%0.679SS**  trans-73.786.6175.929.9-30.3000109.2
225G42.9Very low49.2Very low66 Ų66128.4 Ų128.468%0.6867%0.669SS**  trans-83128.4168.200000109.6F223F223-G225 VanDerWaalsContact C-N 3.3Å; F223-G225 PolarHBondContact O-N 3.07Å
226G43.4Very low52.1Low64 Ų64125 Ų12566%0.6665%0.647SS**  trans-50.5159-170.700000115.2I228G226-I228 WeakPolarHBondContact O-CG1 3.27Å; G226-I228 PolarHBondContact O-N 3.03Å
227K43.8Very low55Low216 Ų216122.4 Ų122.494%0.93963%0.625SS**  trans-46.396.4-177.6-71.5-178.8178.3178.30111.7V229K227-V229 PolarHBondContact O-N 3.5Å
228I56.2Low57.7Low103 Ų103122.6 Ų122.653%0.52862%0.619SS.*PPolyproline II helixtrans-76.4117.8172.6-62179.6000106.9F75 G226 R230F75-I228 HydrophobicContact CD2-CG2 4.28Å; F75-I228 HydrophobicContact CE2-CG2 3.41Å; F75-I228 VanDerWaalsContact CE2-CG2 3.41Å; F75-I228 HydrophobicContact CZ-CG2 4.08Å; G226-I228 WeakPolarHBondContact O-CG1 3.27Å; G226-I228 PolarHBondContact O-N 3.03Å; I228-R230 PolarHBondContact O-N 3.31Å
229V61.5Low60.3Low123 Ų123118.7 Ų118.775%0.74559%0.594SS**PPolyproline II helixtrans-66.1120.1177.7179.60000108.7K227K227-V229 PolarHBondContact O-N 3.5Å
230R69.1Low63.1Low166 Ų166111.4 Ų111.463%0.62656%0.561SS**PPolyproline II helixtrans-61.1137.8177-71.4-175.9173.7172.41.1110.6D50 I228D50-R230 PolarHBondContact O-NE 3.03Å; D50-R230 VanDerWaalsContact O-NE 3.09Å; D50-R230 PolarHBondContact O-NH2 2.99Å; I228-R230 PolarHBondContact O-N 3.31Å
231K72.1Confident65.7Low46 Ų46103.9 Ų103.920%0.254%0.536CS..PPolyproline II helixtrans-73.5149169.6-71-172.9178.6-177.70110.5H74 E95H74-K231 PolarHBondContact O-NZ 2.88Å; E95-K231 IonicContact OE2-NZ 2.63Å; E95-K231 PolarHBondContact OE2-NZ 3.36Å
232P76.5Confident68.3Low41 Ų41100.1 Ų100.127%0.26651%0.506SS..PPolyproline II helixtrans-66.4144.7178.327.7-34.7000111.2E238 W239P232-E238 HydrophobicContact CB-CB 3.62Å; P232-E238 HydrophobicContact CG-CB 4.1Å; P232-W239 HydrophobicContact CG-CB 4.5Å
233P78.8Confident70.7Confident96 Ų9694 Ų9462%0.62348%0.484SS*.PPolyproline II helixtrans-64.9147.4-17621.1-26.6000111.9K235 S236 W239P233-K235 PolarHBondContact O-N 3.06Å; P233-S236 WeakPolarHBondContact O-CB 3.39Å; P233-S236 PolarHBondContact O-N 2.88Å; P233-S236 PolarHBondContact O-OG 3.47Å; P233-W239 VanDerWaalsContact O-CB 3.31Å; P233-W239 WeakPolarHBondContact O-CB 3.33Å
234K77.9Confident73.1Confident86 Ų8686.4 Ų86.437%0.37445%0.451SS..THydrogen-bonded Turntrans-52137.4177.2-167179178163.30110.3E71 S236 W239E71-K234 HydrophobicContact CB-CD 4.2Å; E71-K234 WeakPolarHBondContact OE2-CE 3.46Å; E71-K234 IonicContact OE2-NZ 2.77Å; E71-K234 PolarHBondContact OE2-NZ 3.44Å; K234-S236 PolarHBondContact O-N 3.21Å; K234-W239 HydrophobicContact CG-CZ2 4.17Å
235K83.4Confident75.7Confident160 Ų16085.9 Ų85.970%0.69644%0.437SS*.THydrogen-bonded Turntrans66.52.4-176.3-50.6178.9-178.9174.70116.4P233P233-K235 PolarHBondContact O-N 3.06Å
236S85.4Confident77.7Confident21 Ų2183.6 Ų83.615%0.14741%0.409CS..SBendtrans-62.9160.5166.661.80000111.4P233 K234 E238 W239 I240P233-S236 WeakPolarHBondContact O-CB 3.39Å; P233-S236 PolarHBondContact O-N 2.88Å; P233-S236 PolarHBondContact O-OG 3.47Å; K234-S236 PolarHBondContact O-N 3.21Å; S236-E238 PolarHBondContact O-N 3.42Å; S236-W239 PolarHBondContact O-N 3.45Å; S236-W239 VanDerWaalsContact OG-CB 3.26Å; S236-W239 WeakPolarHBondContact OG-CB 3.27Å; S236-W239 PolarHBondContact OG-N 3.44Å; S236-W239 VanDerWaalsContact OG-N 3.08Å; S236-I240 VanDerWaalsContact O-CG1 3.31Å; S236-I240 WeakPolarHBondContact O-CG1 3.39Å; S236-I240 PolarHBondContact O-N 3.17Å
237R88.2Confident79.8Confident125 Ų12581.7 Ų81.747%0.47239%0.386SS..Hα-helixtrans-58-42.8175.2178.4173.3176-110.50.7110.7I240 L241R237-I240 PolarHBondContact O-N 3.03Å; R237-L241 HydrophobicContact CG-CD1 4.02Å; R237-L241 HydrophobicContact CG-CG 4.39Å; R237-L241 VanDerWaalsContact O-CG 3.29Å; R237-L241 WeakPolarHBondContact O-CG 3.36Å; R237-L241 PolarHBondContact O-N 3.44Å
238E87.5Confident82Confident107 Ų10776 Ų7650%0.536%0.359SS..Hα-helixtrans-61.3-44.6177.8-64.668.9-146.300111P232 S236 I240 L241 R242P232-E238 HydrophobicContact CB-CB 3.62Å; P232-E238 HydrophobicContact CG-CB 4.1Å; S236-E238 PolarHBondContact O-N 3.42Å; E238-I240 PolarHBondContact O-N 3.49Å; E238-L241 PolarHBondContact O-N 2.99Å; E238-R242 WeakPolarHBondContact O-CB 3.4Å; E238-R242 PolarHBondContact O-N 2.76Å
239W85.7Confident83.4Confident42 Ų4280.1 Ų80.116%0.15937%0.368CS..Hα-helixtrans-61.9-42.5175.1-179.498.1000112E71 P232 P233 K234 S236 R242 K243E71-W239 HydrophobicContact CG-CZ2 4.43Å; P232-W239 HydrophobicContact CG-CB 4.5Å; P233-W239 VanDerWaalsContact O-CB 3.31Å; P233-W239 WeakPolarHBondContact O-CB 3.33Å; K234-W239 HydrophobicContact CG-CZ2 4.17Å; S236-W239 PolarHBondContact O-N 3.45Å; S236-W239 VanDerWaalsContact OG-CB 3.26Å; S236-W239 WeakPolarHBondContact OG-CB 3.27Å; S236-W239 PolarHBondContact OG-N 3.44Å; S236-W239 VanDerWaalsContact OG-N 3.08Å; W239-R242 PolarHBondContact O-N 3.39Å; W239-K243 HydrophobicContact CD2-CG 4.04Å; W239-K243 HydrophobicContact CE3-CG 4.18Å; W239-K243 HydrophobicContact CH2-CG 4Å; W239-K243 HydrophobicContact CZ2-CD 4.3Å; W239-K243 HydrophobicContact CZ2-CG 3.86Å; W239-K243 HydrophobicContact CZ3-CG 4.17Å; W239-K243 WeakPolarHBondContact O-CG 3.29Å; W239-K243 PolarHBondContact O-N 2.95Å
240I88.7Confident84.3Confident41 Ų4177.5 Ų77.521%0.2135%0.347CS..Hα-helixtrans-64.9-45.9178.5-67.9167.8000110.8S236 R237 E238 R242 K243 K244 T261S236-I240 VanDerWaalsContact O-CG1 3.31Å; S236-I240 WeakPolarHBondContact O-CG1 3.39Å; S236-I240 PolarHBondContact O-N 3.17Å; R237-I240 PolarHBondContact O-N 3.03Å; E238-I240 PolarHBondContact O-N 3.49Å; I240-R242 VanDerWaalsContact C-N 3.31Å; I240-R242 PolarHBondContact O-N 2.97Å; I240-K243 PolarHBondContact O-N 2.94Å; I240-K244 HydrophobicContact CG2-CG 4.47Å; I240-K244 WeakPolarHBondContact O-CB 3.49Å; I240-K244 WeakPolarHBondContact O-CG 2.97Å; I240-K244 PolarHBondContact O-N 2.83Å; I240-T261 HydrophobicContact CG2-CG2 3.75Å
241L91Very high85Confident45 Ų4572.9 Ų72.924%0.23635%0.35CS..Hα-helixtrans-61-42.7177.9-71.1173.3000111.1R237 E238 K244 E245 D257 T261R237-L241 HydrophobicContact CG-CD1 4.02Å; R237-L241 HydrophobicContact CG-CG 4.39Å; R237-L241 VanDerWaalsContact O-CG 3.29Å; R237-L241 WeakPolarHBondContact O-CG 3.36Å; R237-L241 PolarHBondContact O-N 3.44Å; E238-L241 PolarHBondContact O-N 2.99Å; L241-K244 WeakPolarHBondContact O-CB 3.37Å; L241-K244 PolarHBondContact O-N 2.87Å; L241-E245 WeakPolarHBondContact O-CB 3.29Å; L241-E245 PolarHBondContact O-N 3.49Å; L241-D257 HydrophobicContact CD2-CB 4.09Å; L241-D257 VanDerWaalsContact CD2-CG 3.46Å; L241-T261 HydrophobicContact CD2-CG2 4.13Å
242R87.3Confident85.7Confident61 Ų6177 Ų7723%0.2337%0.368CS..Hα-helixtrans-61.7-45.6175.6-168.9-176.869.781-8.1112.5E95 E238 W239 I240 K244 E245 Q246E95-R242 IonicContact OE1-CZ 2.82Å; E95-R242 IonicContact OE1-NH1 2.78Å; E95-R242 PolarHBondContact OE1-NH1 3.1Å; E95-R242 IonicContact OE1-NH2 3.94Å; E95-R242 PolarHBondContact OE1-NH2 2.83Å; E95-R242 IonicContact OE2-CZ 3.62Å; E95-R242 IonicContact OE2-NH1 3.79Å; E95-R242 IonicContact OE2-NH2 3.74Å; E238-R242 WeakPolarHBondContact O-CB 3.4Å; E238-R242 PolarHBondContact O-N 2.76Å; W239-R242 PolarHBondContact O-N 3.39Å; I240-R242 VanDerWaalsContact C-N 3.31Å; I240-R242 PolarHBondContact O-N 2.97Å; R242-K244 VanDerWaalsContact C-N 3.34Å; R242-K244 PolarHBondContact O-N 2.93Å; R242-E245 PolarHBondContact O-N 2.76Å; R242-Q246 PolarHBondContact O-N 3.16Å
243K88.3Confident86.2Confident41 Ų4183.8 Ų83.818%0.17840%0.401CS..Hα-helixtrans-64.9-36.6175.6-73.4-66.6-171.9178.70112.2W239 I240 Q246 A247W239-K243 HydrophobicContact CD2-CG 4.04Å; W239-K243 HydrophobicContact CE3-CG 4.18Å; W239-K243 HydrophobicContact CH2-CG 4Å; W239-K243 HydrophobicContact CZ2-CD 4.3Å; W239-K243 HydrophobicContact CZ2-CG 3.86Å; W239-K243 HydrophobicContact CZ3-CG 4.17Å; W239-K243 WeakPolarHBondContact O-CG 3.29Å; W239-K243 PolarHBondContact O-N 2.95Å; I240-K243 PolarHBondContact O-N 2.94Å; K243-Q246 WeakPolarHBondContact O-CB 3.44Å; K243-Q246 PolarHBondContact O-N 3.01Å; K243-A247 WeakPolarHBondContact O-CB 3.41Å; K243-A247 PolarHBondContact O-N 3.24Å
244K91.4Very high86.7Confident33 Ų3381.1 Ų81.114%0.14338%0.383CS..Hα-helixtrans-63.2-44.6172.5-79.9-170.4178.5-1680111.7I240 L241 R242 A247 R248 V254 A255 R256 D257I240-K244 HydrophobicContact CG2-CG 4.47Å; I240-K244 WeakPolarHBondContact O-CB 3.49Å; I240-K244 WeakPolarHBondContact O-CG 2.97Å; I240-K244 PolarHBondContact O-N 2.83Å; L241-K244 WeakPolarHBondContact O-CB 3.37Å; L241-K244 PolarHBondContact O-N 2.87Å; R242-K244 VanDerWaalsContact C-N 3.34Å; R242-K244 PolarHBondContact O-N 2.93Å; K244-A247 PolarHBondContact O-N 3.28Å; K244-R248 WeakPolarHBondContact O-CG 3.22Å; K244-R248 PolarHBondContact O-N 3.37Å; K244-V254 HydrophobicContact CB-CG1 3.72Å; K244-V254 HydrophobicContact CD-CG1 3.94Å; K244-V254 HydrophobicContact CG-CG1 3.66Å; K244-A255 PolarHBondContact NZ-O 2.79Å; K244-A255 VanDerWaalsContact NZ-O 3.09Å; K244-R256 PolarHBondContact NZ-O 3.03Å; K244-R256 VanDerWaalsContact NZ-O 3.12Å; K244-D257 WeakPolarHBondContact CD-OD1 3.41Å; K244-D257 IonicContact NZ-OD1 2.88Å; K244-D257 PolarHBondContact NZ-OD1 2.92Å
245E90Very high87.3Confident120 Ų12080.5 Ų80.556%0.56139%0.394SS*.Hα-helixtrans-61.4-43.8176.3-176.2171.8-157.600111.8L241 R242 A247 R248 R249L241-E245 WeakPolarHBondContact O-CB 3.29Å; L241-E245 PolarHBondContact O-N 3.49Å; R242-E245 PolarHBondContact O-N 2.76Å; E245-A247 VanDerWaalsContact C-N 3.32Å; E245-A247 PolarHBondContact O-N 2.99Å; E245-R248 WeakPolarHBondContact O-CB 3.48Å; E245-R248 PolarHBondContact O-N 2.67Å; E245-R248 VanDerWaalsContact O-N 3.14Å; E245-R249 PolarHBondContact O-N 3.36Å
246Q85.6Confident87.6Confident19 Ų1984 Ų849%0.08940%0.403CS..Hα-helixtrans-57.3-44.3171.9-163.7-166.9-5.500111.5K92 D93 R242 K243 R248 R249 K250K92-Q246 PolarHBondContact O-NE2 3.16Å; D93-Q246 HydrophobicContact CB-CG 4.27Å; D93-Q246 PolarHBondContact O-NE2 3.43Å; D93-Q246 WeakPolarHBondContact OD2-CG 3.25Å; R242-Q246 PolarHBondContact O-N 3.16Å; K243-Q246 WeakPolarHBondContact O-CB 3.44Å; K243-Q246 PolarHBondContact O-N 3.01Å; Q246-R248 PolarHBondContact O-N 2.93Å; Q246-R249 PolarHBondContact O-N 3.39Å; Q246-K250 WeakPolarHBondContact O-CG 3.45Å; Q246-K250 PolarHBondContact O-N 2.9Å
247A86.6Confident87.8Confident23 Ų2386.6 Ų86.619%0.1942%0.415CS..Hα-helixtrans-66.6-34176.400000113.1K243 K244 E245 K250 K252 V254K243-A247 WeakPolarHBondContact O-CB 3.41Å; K243-A247 PolarHBondContact O-N 3.24Å; K244-A247 PolarHBondContact O-N 3.28Å; E245-A247 VanDerWaalsContact C-N 3.32Å; E245-A247 PolarHBondContact O-N 2.99Å; A247-K250 WeakPolarHBondContact O-CB 3.16Å; A247-K250 PolarHBondContact O-N 3.26Å; A247-K252 HydrophobicContact CB-CB 4.48Å; A247-K252 WeakPolarHBondContact O-CB 3.32Å; A247-K252 PolarHBondContact O-N 2.98Å; A247-K252 VanDerWaalsContact O-N 3.07Å; A247-V254 HydrophobicContact CB-CG2 3.47Å; A247-V254 VanDerWaalsContact CB-CG2 3.47Å
248R90.4Very high87.8Confident98 Ų9883.2 Ų83.237%0.3741%0.411SS..Hα-helixtrans-65.8-43.6173.3-70.7169.8-168.9140.95.8111.5K244 E245 Q246 K250 G251 V254 D257K244-R248 WeakPolarHBondContact O-CG 3.22Å; K244-R248 PolarHBondContact O-N 3.37Å; E245-R248 WeakPolarHBondContact O-CB 3.48Å; E245-R248 PolarHBondContact O-N 2.67Å; E245-R248 VanDerWaalsContact O-N 3.14Å; Q246-R248 PolarHBondContact O-N 2.93Å; R248-K250 PolarHBondContact O-N 2.69Å; R248-G251 PolarHBondContact O-N 3.31Å; R248-V254 HydrophobicContact CG-CB 3.85Å; R248-V254 HydrophobicContact CG-CG1 4.24Å; R248-V254 HydrophobicContact CG-CG2 3.84Å; R248-D257 IonicContact CZ-OD1 3.94Å; R248-D257 IonicContact CZ-OD2 3.32Å; R248-D257 IonicContact NH1-OD2 2.97Å; R248-D257 PolarHBondContact NH1-OD2 2.71Å; R248-D257 IonicContact NH2-OD1 2.85Å; R248-D257 PolarHBondContact NH2-OD1 3.44Å; R248-D257 IonicContact NH2-OD2 2.8Å; R248-D257 PolarHBondContact NH2-OD2 3.34Å
249R86.3Confident87.7Confident189 Ų18986.1 Ų86.171%0.71342%0.422SS*.Hα-helixtrans-57.1-34174.5-76.8170.652.5124.7-1.2112.2D93 E245 Q246 G251D93-R249 IonicContact OD1-NH2 3.73Å; D93-R249 IonicContact OD2-NE 3.77Å; E245-R249 PolarHBondContact O-N 3.36Å; Q246-R249 PolarHBondContact O-N 3.39Å; R249-G251 PolarHBondContact O-N 2.86Å
250K79.5Confident87.5Confident68 Ų6890.6 Ų90.630%0.29644%0.44SS..THydrogen-bonded Turntrans-762174.2-66.3172.5-177170.40114.4K92 D93 Q246 A247 R248 K252K92-K250 VanDerWaalsContact C-NZ 3.33Å; K92-K250 VanDerWaalsContact O-CE 3.26Å; K92-K250 WeakPolarHBondContact O-CE 3.31Å; K92-K250 PolarHBondContact O-NZ 3.48Å; D93-K250 HydrophobicContact CB-CD 4.47Å; D93-K250 HydrophobicContact CB-CG 4.44Å; Q246-K250 WeakPolarHBondContact O-CG 3.45Å; Q246-K250 PolarHBondContact O-N 2.9Å; A247-K250 WeakPolarHBondContact O-CB 3.16Å; A247-K250 PolarHBondContact O-N 3.26Å; R248-K250 PolarHBondContact O-N 2.69Å; K250-K252 HydrophobicContact CB-CD 4.47Å; K250-K252 HydrophobicContact CB-CG 4.07Å; K250-K252 PolarHBondContact O-N 3.21Å
251G84.2Confident87.4Confident68 Ų6889.4 Ų89.470%0.70143%0.434SS*.THydrogen-bonded Turntrans67.715.8-175.500000114.2R248 R249R248-G251 PolarHBondContact O-N 3.31Å; R249-G251 PolarHBondContact O-N 2.86Å
252K86.4Confident86.9Confident132 Ų13289 Ų8957%0.57444%0.441SS*.  trans-75.2149.5177.1-61.5-173.6178.5-1720110A247 K250 V254A247-K252 HydrophobicContact CB-CB 4.48Å; A247-K252 WeakPolarHBondContact O-CB 3.32Å; A247-K252 PolarHBondContact O-N 2.98Å; A247-K252 VanDerWaalsContact O-N 3.07Å; K250-K252 HydrophobicContact CB-CD 4.47Å; K250-K252 HydrophobicContact CB-CG 4.07Å; K250-K252 PolarHBondContact O-N 3.21Å; K252-V254 WeakPolarHBondContact O-CG2 3.36Å; K252-V254 PolarHBondContact O-N 3.11Å; K252-V254 VanDerWaalsContact O-N 3.15Å
253L88.6Confident86.7Confident185 Ų18594.9 Ų94.997%0.96946%0.463SS*.  trans-68.2111.4170.4-67.5173.5000109.3
254V89.2Confident86.3Confident40 Ų40102.4 Ų102.424%0.24250%0.496CS..  trans-114.8130.9-177.7-179.80000110.2K244 A247 R248 K252K244-V254 HydrophobicContact CB-CG1 3.72Å; K244-V254 HydrophobicContact CD-CG1 3.94Å; K244-V254 HydrophobicContact CG-CG1 3.66Å; A247-V254 HydrophobicContact CB-CG2 3.47Å; A247-V254 VanDerWaalsContact CB-CG2 3.47Å; R248-V254 HydrophobicContact CG-CB 3.85Å; R248-V254 HydrophobicContact CG-CG1 4.24Å; R248-V254 HydrophobicContact CG-CG2 3.84Å; K252-V254 WeakPolarHBondContact O-CG2 3.36Å; K252-V254 PolarHBondContact O-N 3.11Å; K252-V254 VanDerWaalsContact O-N 3.15Å
255A89.4Confident85.6Confident73 Ų73111.8 Ų111.860%0.60353%0.531SS*.PPolyproline II helixtrans-57.8140.6175.700000112K244K244-A255 PolarHBondContact NZ-O 2.79Å; K244-A255 VanDerWaalsContact NZ-O 3.09Å
256R89.1Confident85.1Confident232 Ų232111.9 Ų111.988%0.87554%0.542SS*.PPolyproline II helixtrans-54.3148.7177.5-68.2-176.2178.9175.80111.5K244K244-R256 PolarHBondContact NZ-O 3.03Å; K244-R256 VanDerWaalsContact NZ-O 3.12Å
257D90.5Very high84.5Confident76 Ų76119.9 Ų119.941%0.40658%0.579SS.*PPolyproline II helixtrans-77.4131.3173.6-62.8-26.7000109.1L241 K244 R248L241-D257 HydrophobicContact CD2-CB 4.09Å; L241-D257 VanDerWaalsContact CD2-CG 3.46Å; K244-D257 WeakPolarHBondContact CD-OD1 3.41Å; K244-D257 IonicContact NZ-OD1 2.88Å; K244-D257 PolarHBondContact NZ-OD1 2.92Å; R248-D257 IonicContact CZ-OD1 3.94Å; R248-D257 IonicContact CZ-OD2 3.32Å; R248-D257 IonicContact NH1-OD2 2.97Å; R248-D257 PolarHBondContact NH1-OD2 2.71Å; R248-D257 IonicContact NH2-OD1 2.85Å; R248-D257 PolarHBondContact NH2-OD1 3.44Å; R248-D257 IonicContact NH2-OD2 2.8Å; R248-D257 PolarHBondContact NH2-OD2 3.34Å
258S87.3Confident83.6Confident55 Ų55122.3 Ų122.339%0.38561%0.607SS.*  trans-134.6163.9-178.676.60000110.1Y260 T261S258-Y260 PolarHBondContact O-N 2.72Å; S258-Y260 PolarHBondContact OG-N 3.44Å; S258-T261 PolarHBondContact N-OG1 2.94Å; S258-T261 VanDerWaalsContact O-CB 3.28Å; S258-T261 WeakPolarHBondContact O-CB 3.17Å; S258-T261 PolarHBondContact O-N 3.44Å; S258-T261 PolarHBondContact O-OG1 3.14Å; S258-T261 VanDerWaalsContact O-OG1 3.08Å; S258-T261 PolarHBondContact OG-OG1 3.26Å
259K85.8Confident82.1Confident167 Ų167131.3 Ų131.373%0.72665%0.649SS**THydrogen-bonded Turntrans-57.8-16.5173.270.1-177.7-175.8-1780113.9
260Y83.1Confident81.9Confident137 Ų137128.5 Ų128.554%0.53765%0.646SS.*THydrogen-bonded Turntrans-95.3-2.6177.9-54.8-77.1000113.3S258 G262 R263S258-Y260 PolarHBondContact O-N 2.72Å; S258-Y260 PolarHBondContact OG-N 3.44Å; Y260-G262 PolarHBondContact O-N 3.25Å; Y260-R263 WeakPolarHBondContact O-CB 3.27Å; Y260-R263 PolarHBondContact O-N 3.13Å; Y260-R263 VanDerWaalsContact O-N 3.15Å
261T85Confident82Confident16 Ų16131.6 Ų131.610%0.09866%0.664CS.*THydrogen-bonded Turntrans-64.1121.9-179.7-62.10000110.3I240 L241 S258 R263I240-T261 HydrophobicContact CG2-CG2 3.75Å; L241-T261 HydrophobicContact CD2-CG2 4.13Å; S258-T261 PolarHBondContact N-OG1 2.94Å; S258-T261 VanDerWaalsContact O-CB 3.28Å; S258-T261 WeakPolarHBondContact O-CB 3.17Å; S258-T261 PolarHBondContact O-N 3.44Å; S258-T261 PolarHBondContact O-OG1 3.14Å; S258-T261 VanDerWaalsContact O-OG1 3.08Å; S258-T261 PolarHBondContact OG-OG1 3.26Å; T261-R263 VanDerWaalsContact C-N 3.31Å; T261-R263 PolarHBondContact O-N 2.96Å
262G81.4Confident81.9Confident37 Ų37135.2 Ų135.238%0.38166%0.662SS.*THydrogen-bonded Turntrans80.22.1-178.400000115.9Y260Y260-G262 PolarHBondContact O-N 3.25Å
263R83.2Confident81.6Confident183 Ų183135.4 Ų135.469%0.69167%0.667SS**PPolyproline II helixtrans-75.8131.6173.5-168.2174.4177.3172-1.3109.8Y260 T261 R265Y260-R263 WeakPolarHBondContact O-CB 3.27Å; Y260-R263 PolarHBondContact O-N 3.13Å; Y260-R263 VanDerWaalsContact O-N 3.15Å; T261-R263 VanDerWaalsContact C-N 3.31Å; T261-R263 PolarHBondContact O-N 2.96Å; R263-R265 PolarHBondContact O-N 3.29Å
264K79.6Confident81.1Confident199 Ų199132.3 Ų132.387%0.86565%0.649SS**PPolyproline II helixtrans-58.1129.4168.8-74.4-175.7173.8-178.30108.9
265R77.2Confident80.6Confident230 Ų230138.4 Ų138.487%0.86868%0.676SS**PPolyproline II helixtrans-69.2142169.4-68-177.3179.7-177.5-0.9107.9R263 E267R263-R265 PolarHBondContact O-N 3.29Å; R265-E267 PolarHBondContact O-N 3.15Å
266P77.8Confident80Confident122 Ų122143.1 Ų143.179%0.79268%0.681SS**PPolyproline II helixtrans-53139.7166-1728.9000108.5G268P266-G268 PolarHBondContact O-N 3.42Å
267E75Confident79.3Confident187 Ų187136.2 Ų136.287%0.87467%0.666SS**PPolyproline II helixtrans-56.8135.2168.2-68.2-174.8171.400107.7R265 F269R265-E267 PolarHBondContact O-N 3.15Å; E267-F269 PolarHBondContact O-N 3.36Å
268G67.1Low78.3Confident75 Ų75141.3 Ų141.377%0.77369%0.687SS**PPolyproline II helixtrans-58.9137.4175.800000109P266P266-G268 PolarHBondContact O-N 3.42Å
269F57.8Low77.5Confident287 Ų287149.1 Ų149.1100%1.25972%0.715SS**  trans-580170.8-73.6-83.2000111.5E267E267-F269 PolarHBondContact O-N 3.36Å

Retrieved 269 of 269 residues in 140.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).