G4VRN5_SCHMA Loading...

Putative developmentally regulated GTP-binding protein 2 (Drg 2)

AlphaFold DB , UniProt , Accession G4VRN5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 363 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.8Low85.5Confident164 Ų16461.6 Ų61.681%0.80834%0.336SS*.  0111.30-81.7172.2171.300109.4D5 K6 D9M1-D5 VanDerWaalsContact CA-OD2 3.3Å; M1-D5 WeakPolarHBondContact CA-OD2 3.5Å; M1-D5 HydrophobicContact CB-CB 4.13Å; M1-D5 HydrophobicContact CG-CB 4.1Å; M1-K6 HydrophobicContact CB-CG 4.25Å; M1-D9 VanDerWaalsContact CE-OD2 3.25Å; M1-D9 WeakPolarHBondContact CE-OD2 3.42Å
2G82.3Confident86.1Confident39 Ų3963.4 Ų63.440%0.40235%0.345SS..  trans-63.717016900000111.5L4 D5 K6G2-L4 PolarHBondContact O-N 3.1Å; G2-D5 PolarHBondContact N-OD2 3.27Å; G2-D5 PolarHBondContact O-N 3.32Å; G2-K6 WeakPolarHBondContact O-CG 3.46Å; G2-K6 PolarHBondContact O-N 3.08Å
3I85.2Confident86.6Confident52 Ų5264.5 Ų64.527%0.26735%0.347SS..Hα-helixtrans-60.2-35.5176.5-63.3174.3000110.7K6 I7 Y37 Q40 L41I3-K6 PolarHBondContact O-N 2.89Å; I3-I7 HydrophobicContact CG2-CD1 4.05Å; I3-I7 WeakPolarHBondContact O-CG1 3.42Å; I3-I7 PolarHBondContact O-N 3.34Å; I3-Y37 HydrophobicContact CG2-CD1 4.41Å; I3-Y37 HydrophobicContact CG2-CG 4.49Å; I3-Q40 HydrophobicContact CD1-CB 4.43Å; I3-L41 HydrophobicContact CB-CD2 4.09Å; I3-L41 HydrophobicContact CG2-CD1 4.48Å; I3-L41 HydrophobicContact CG2-CD2 3.73Å; I3-L41 HydrophobicContact CG2-CG 3.8Å
4L82.6Confident86.9Confident63 Ų6363.1 Ų63.133%0.3334%0.338SS..Hα-helixtrans-64.2-45.7177.5-64.5172.6000112.2G2 K6 I7 A8 L41 Q124G2-L4 PolarHBondContact O-N 3.1Å; L4-K6 VanDerWaalsContact C-N 3.3Å; L4-K6 PolarHBondContact O-N 2.88Å; L4-I7 WeakPolarHBondContact O-CB 3.48Å; L4-I7 PolarHBondContact O-N 2.84Å; L4-I7 VanDerWaalsContact O-N 3.15Å; L4-A8 PolarHBondContact O-N 2.64Å; L4-L41 HydrophobicContact CD2-CD1 3.86Å; L4-L41 HydrophobicContact CD2-CD2 4.13Å; L4-Q124 WeakPolarHBondContact CD1-O 3.32Å; L4-Q124 VanDerWaalsContact CD2-O 3.22Å; L4-Q124 WeakPolarHBondContact CD2-O 3.46Å
5D87.2Confident87.1Confident82 Ų8264.5 Ų64.544%0.43936%0.363SS..Hα-helixtrans-58.7-44.4176-51.1-28000110.7M1 G2 I7 A8 D9M1-D5 VanDerWaalsContact CA-OD2 3.3Å; M1-D5 WeakPolarHBondContact CA-OD2 3.5Å; M1-D5 HydrophobicContact CB-CB 4.13Å; M1-D5 HydrophobicContact CG-CB 4.1Å; G2-D5 PolarHBondContact N-OD2 3.27Å; G2-D5 PolarHBondContact O-N 3.32Å; D5-I7 VanDerWaalsContact C-N 3.3Å; D5-I7 PolarHBondContact O-N 3.22Å; D5-A8 PolarHBondContact O-N 2.9Å; D5-D9 WeakPolarHBondContact O-CB 3.38Å; D5-D9 VanDerWaalsContact O-CG 3.22Å; D5-D9 PolarHBondContact O-N 3.15Å
6K89.9Confident87.4Confident79 Ų7973.9 Ų73.934%0.34339%0.391SS..Hα-helixtrans-62.1-36.9177.9-67.3179.4-178-178.10112.8M1 G2 I3 L4 I10 Y37M1-K6 HydrophobicContact CB-CG 4.25Å; G2-K6 WeakPolarHBondContact O-CG 3.46Å; G2-K6 PolarHBondContact O-N 3.08Å; I3-K6 PolarHBondContact O-N 2.89Å; L4-K6 VanDerWaalsContact C-N 3.3Å; L4-K6 PolarHBondContact O-N 2.88Å; K6-I10 WeakPolarHBondContact O-CB 3.2Å; K6-I10 WeakPolarHBondContact O-CD1 3.41Å; K6-I10 VanDerWaalsContact O-CG1 3.25Å; K6-I10 WeakPolarHBondContact O-CG1 3.44Å; K6-I10 PolarHBondContact O-N 3.25Å; K6-I10 VanDerWaalsContact O-N 3.16Å; K6-Y37 HydrophobicContact CB-CD2 4.18Å; K6-Y37 HydrophobicContact CB-CE2 3.99Å; K6-Y37 HydrophobicContact CD-CE1 4.07Å; K6-Y37 HydrophobicContact CD-CE2 4.25Å
7I88.6Confident87.6Confident11 Ų1171.7 Ų71.76%0.05638%0.381CS..Hα-helixtrans-66.1-48.9175.7-74.2168.3000109.7I3 L4 D5 D9 I10 E11 L34 R38 L41I3-I7 HydrophobicContact CG2-CD1 4.05Å; I3-I7 WeakPolarHBondContact O-CG1 3.42Å; I3-I7 PolarHBondContact O-N 3.34Å; L4-I7 WeakPolarHBondContact O-CB 3.48Å; L4-I7 PolarHBondContact O-N 2.84Å; L4-I7 VanDerWaalsContact O-N 3.15Å; D5-I7 VanDerWaalsContact C-N 3.3Å; D5-I7 PolarHBondContact O-N 3.22Å; I7-D9 VanDerWaalsContact C-N 3.34Å; I7-D9 PolarHBondContact O-N 2.93Å; I7-I10 PolarHBondContact O-N 3.16Å; I7-E11 HydrophobicContact CG2-CG 4.38Å; I7-E11 WeakPolarHBondContact O-CB 3.24Å; I7-E11 WeakPolarHBondContact O-CG 3.43Å; I7-E11 PolarHBondContact O-N 2.93Å; I7-L34 HydrophobicContact CB-CD1 4.4Å; I7-L34 HydrophobicContact CG1-CD1 4.38Å; I7-L34 HydrophobicContact CG2-CD1 3.83Å; I7-R38 HydrophobicContact CD1-CG 4.22Å; I7-L41 HydrophobicContact CD1-CD1 3.35Å; I7-L41 HydrophobicContact CD1-CG 4.11Å
8A88.5Confident87.6Confident34 Ų3476.4 Ų76.428%0.28140%0.4SS..Hα-helixtrans-61.2-41.7179.500000112L4 D5 E11 N12L4-A8 PolarHBondContact O-N 2.64Å; D5-A8 PolarHBondContact O-N 2.9Å; A8-E11 PolarHBondContact O-N 2.89Å; A8-N12 WeakPolarHBondContact O-CB 3.23Å; A8-N12 VanDerWaalsContact O-CG 3.22Å; A8-N12 PolarHBondContact O-N 2.81Å; A8-N12 PolarHBondContact O-ND2 3.28Å
9D92.8Very high87.5Confident74 Ų7481.2 Ų81.240%0.39642%0.417SS..Hα-helixtrans-61.2-45.6176.8-70.8-22.2000111.6M1 D5 I7 N12 E13M1-D9 VanDerWaalsContact CE-OD2 3.25Å; M1-D9 WeakPolarHBondContact CE-OD2 3.42Å; D5-D9 WeakPolarHBondContact O-CB 3.38Å; D5-D9 VanDerWaalsContact O-CG 3.22Å; D5-D9 PolarHBondContact O-N 3.15Å; I7-D9 VanDerWaalsContact C-N 3.34Å; I7-D9 PolarHBondContact O-N 2.93Å; D9-N12 PolarHBondContact O-N 3.27Å; D9-E13 WeakPolarHBondContact O-CB 3.35Å; D9-E13 PolarHBondContact O-N 3.3Å
10I92.2Very high87.5Confident13 Ų1380.7 Ų80.77%0.06742%0.415CS..Hα-helixtrans-66.8-41.6178-70.4167000111.4K6 I7 N12 E13 I14 L30 K33 L34 Y37K6-I10 WeakPolarHBondContact O-CB 3.2Å; K6-I10 WeakPolarHBondContact O-CD1 3.41Å; K6-I10 VanDerWaalsContact O-CG1 3.25Å; K6-I10 WeakPolarHBondContact O-CG1 3.44Å; K6-I10 PolarHBondContact O-N 3.25Å; K6-I10 VanDerWaalsContact O-N 3.16Å; I7-I10 PolarHBondContact O-N 3.16Å; I10-N12 VanDerWaalsContact C-N 3.34Å; I10-E13 PolarHBondContact O-N 3.3Å; I10-I14 HydrophobicContact CG2-CD1 3.76Å; I10-I14 HydrophobicContact CG2-CG1 4.27Å; I10-I14 WeakPolarHBondContact O-CB 3.29Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 3.39Å; I10-I14 PolarHBondContact O-N 3.06Å; I10-L30 HydrophobicContact CG1-CD2 4.42Å; I10-L30 HydrophobicContact CG2-CB 4.09Å; I10-L30 HydrophobicContact CG2-CD2 4.25Å; I10-K33 HydrophobicContact CD1-CB 3.73Å; I10-L34 HydrophobicContact CG2-CB 3.98Å; I10-L34 HydrophobicContact CG2-CD1 4.34Å; I10-Y37 HydrophobicContact CD1-CD2 3.7Å; I10-Y37 HydrophobicContact CD1-CE2 3.57Å
11E90Very high87.2Confident67 Ų6785.6 Ų85.631%0.31343%0.434SS..Hα-helixtrans-62-43.2177-74.9176.6169.700111.3I7 A8 E13 I14 A15 L34 R38I7-E11 HydrophobicContact CG2-CG 4.38Å; I7-E11 WeakPolarHBondContact O-CB 3.24Å; I7-E11 WeakPolarHBondContact O-CG 3.43Å; I7-E11 PolarHBondContact O-N 2.93Å; A8-E11 PolarHBondContact O-N 2.89Å; E11-E13 VanDerWaalsContact C-N 3.34Å; E11-E13 PolarHBondContact O-N 3.19Å; E11-I14 PolarHBondContact O-N 3.22Å; E11-A15 WeakPolarHBondContact O-CB 3.36Å; E11-A15 PolarHBondContact O-N 3.43Å; E11-L34 HydrophobicContact CG-CD1 3.89Å; E11-L34 HydrophobicContact CG-CD2 4.33Å; E11-R38 IonicContact OE1-CZ 2.83Å; E11-R38 IonicContact OE1-NE 3.79Å; E11-R38 IonicContact OE1-NH2 2.66Å; E11-R38 PolarHBondContact OE1-NH2 3.15Å
12N92Very high88.3Confident83 Ų8381.8 Ų81.844%0.44443%0.429SS..Hα-helixtrans-63-40174.4-74.4-35.8000112.1A8 D9 I10 A15 R16A8-N12 WeakPolarHBondContact O-CB 3.23Å; A8-N12 VanDerWaalsContact O-CG 3.22Å; A8-N12 PolarHBondContact O-N 2.81Å; A8-N12 PolarHBondContact O-ND2 3.28Å; D9-N12 PolarHBondContact O-N 3.27Å; I10-N12 VanDerWaalsContact C-N 3.34Å; N12-A15 PolarHBondContact O-N 2.96Å; N12-R16 VanDerWaalsContact O-CG 3.3Å; N12-R16 WeakPolarHBondContact O-CG 3.32Å; N12-R16 PolarHBondContact O-N 3.24Å; N12-R16 VanDerWaalsContact O-N 3.09Å
13E92.9Very high88.6Confident78 Ų7881.4 Ų81.436%0.36442%0.418SS..Hα-helixtrans-66.6-44.6177.6-168.6177.9171.300111.9D9 I10 E11 A15 R16 T17 H26 L30D9-E13 WeakPolarHBondContact O-CB 3.35Å; D9-E13 PolarHBondContact O-N 3.3Å; I10-E13 PolarHBondContact O-N 3.3Å; E11-E13 VanDerWaalsContact C-N 3.34Å; E11-E13 PolarHBondContact O-N 3.19Å; E13-A15 VanDerWaalsContact C-N 3.33Å; E13-A15 PolarHBondContact O-N 2.57Å; E13-R16 PolarHBondContact O-N 2.77Å; E13-T17 WeakPolarHBondContact O-CB 3.3Å; E13-T17 PolarHBondContact O-N 3.41Å; E13-T17 VanDerWaalsContact O-N 3.11Å; E13-T17 PolarHBondContact O-OG1 2.97Å; E13-H26 IonicContact OE1-CD2 2.73Å; E13-H26 IonicContact OE1-CE1 3.95Å; E13-H26 PolarHBondContact OE1-CE1 2.85Å; E13-H26 VanDerWaalsContact OE1-CE1 3.31Å; E13-H26 IonicContact OE1-NE2 3.76Å; E13-H26 PolarHBondContact OE1-NE2 2.94Å; E13-L30 HydrophobicContact CB-CD1 4.22Å; E13-L30 HydrophobicContact CG-CD1 3.79Å; E13-L30 WeakPolarHBondContact OE2-CD2 3.45Å
14I90.8Very high88.6Confident44 Ų4481.5 Ų81.523%0.22642%0.418CS..Hα-helixtrans-60.1-44.3174.4-69.3170000110.3I10 E11 R16 T17 L27 L30 K31 L34I10-I14 HydrophobicContact CG2-CD1 3.76Å; I10-I14 HydrophobicContact CG2-CG1 4.27Å; I10-I14 WeakPolarHBondContact O-CB 3.29Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 3.39Å; I10-I14 PolarHBondContact O-N 3.06Å; E11-I14 PolarHBondContact O-N 3.22Å; I14-R16 VanDerWaalsContact C-N 3.33Å; I14-R16 PolarHBondContact O-N 3.11Å; I14-T17 PolarHBondContact O-N 3.15Å; I14-L27 HydrophobicContact CG2-CD2 4.36Å; I14-L30 HydrophobicContact CD1-CB 3.93Å; I14-L30 HydrophobicContact CG1-CB 3.72Å; I14-L30 HydrophobicContact CG1-CD1 3.81Å; I14-L30 HydrophobicContact CG1-CG 4.42Å; I14-K31 HydrophobicContact CD1-CG 4.39Å; I14-L34 HydrophobicContact CD1-CD2 4.15Å
15A90.1Very high88.8Confident85 Ų8581.2 Ų81.270%0.70241%0.413SS*.Hα-helixtrans-65.5-33.5-178.400000113.3E11 N12 E13E11-A15 WeakPolarHBondContact O-CB 3.36Å; E11-A15 PolarHBondContact O-N 3.43Å; N12-A15 PolarHBondContact O-N 2.96Å; E13-A15 VanDerWaalsContact C-N 3.33Å; E13-A15 PolarHBondContact O-N 2.57Å
16R92.1Very high88.9Confident215 Ų21580.7 Ų80.781%0.81141%0.407SS*.Hα-helixtrans-82.4-20.7178.7-69.5174.1-175.4-176.82.6113.5N12 E13 I14N12-R16 VanDerWaalsContact O-CG 3.3Å; N12-R16 WeakPolarHBondContact O-CG 3.32Å; N12-R16 PolarHBondContact O-N 3.24Å; N12-R16 VanDerWaalsContact O-N 3.09Å; E13-R16 PolarHBondContact O-N 2.77Å; I14-R16 VanDerWaalsContact C-N 3.33Å; I14-R16 PolarHBondContact O-N 3.11Å
17T90.2Very high88.9Confident36 Ų3677.9 Ų77.922%0.22140%0.396CS..SBendtrans-86.5116.5-173.4-59.70000111.2E13 I14 T23 L27E13-T17 WeakPolarHBondContact O-CB 3.3Å; E13-T17 PolarHBondContact O-N 3.41Å; E13-T17 VanDerWaalsContact O-N 3.11Å; E13-T17 PolarHBondContact O-OG1 2.97Å; I14-T17 PolarHBondContact O-N 3.15Å; T17-T23 HydrophobicContact CG2-CG2 3.81Å; T17-L27 HydrophobicContact CG2-CD1 4.41Å; T17-L27 HydrophobicContact CG2-CD2 3.85Å; T17-L27 HydrophobicContact CG2-CG 4.05Å
18Q88.1Confident88.7Confident157 Ų15777.5 Ų77.573%0.73440%0.395SS*.  trans-70132.5173.2-170-177.615.700110.8N20 T23Q18-N20 PolarHBondContact O-N 3.38Å; Q18-T23 WeakPolarHBondContact O-CB 3.35Å; Q18-T23 PolarHBondContact O-OG1 2.86Å
19K84.7Confident88.8Confident166 Ų16677.5 Ų77.572%0.72239%0.39SS*.  trans-73114.5177.3-171.9-178.7-179.8-1750111.1L27K19-L27 HydrophobicContact CB-CD1 3.94Å; K19-L27 HydrophobicContact CG-CD1 4.02Å
20N87.9Confident88.8Confident71 Ų7174.1 Ų74.138%0.3837%0.372SS..SBendtrans-147.1175.6171.665.741.6000109.7Q18 A22 T23 E24Q18-N20 PolarHBondContact O-N 3.38Å; N20-A22 PolarHBondContact O-N 3.29Å; N20-A22 VanDerWaalsContact O-N 3.15Å; N20-A22 WeakPolarHBondContact OD1-CA 3.29Å; N20-A22 WeakPolarHBondContact OD1-CB 3.29Å; N20-A22 PolarHBondContact OD1-N 3.49Å; N20-T23 PolarHBondContact N-OG1 2.96Å; N20-T23 PolarHBondContact O-N 2.92Å; N20-T23 VanDerWaalsContact O-N 3.16Å; N20-T23 PolarHBondContact O-OG1 3.06Å; N20-T23 PolarHBondContact OD1-N 2.94Å; N20-T23 PolarHBondContact OD1-OG1 3.44Å; N20-E24 WeakPolarHBondContact O-CB 3.41Å; N20-E24 PolarHBondContact O-N 2.73Å
21K81.5Confident88.7Confident184 Ų18476.7 Ų76.780%0.838%0.382SS*.THydrogen-bonded Turntrans-60-26.4-177-166.9176.8-177.41790113.7
22A85.2Confident88.6Confident85 Ų8573.5 Ų73.570%0.70237%0.368SS*.THydrogen-bonded Turntrans-81.7-35.5178.300000112.4N20N20-A22 PolarHBondContact O-N 3.29Å; N20-A22 VanDerWaalsContact O-N 3.15Å; N20-A22 WeakPolarHBondContact OD1-CA 3.29Å; N20-A22 WeakPolarHBondContact OD1-CB 3.29Å; N20-A22 PolarHBondContact OD1-N 3.49Å
23T87.5Confident88.6Confident31 Ų3172.3 Ų72.319%0.1936%0.359CS..THydrogen-bonded Turntrans-90.9-14.6-178.459.40000113.6T17 Q18 N20 Y25 H26 L27T17-T23 HydrophobicContact CG2-CG2 3.81Å; Q18-T23 WeakPolarHBondContact O-CB 3.35Å; Q18-T23 PolarHBondContact O-OG1 2.86Å; N20-T23 PolarHBondContact N-OG1 2.96Å; N20-T23 PolarHBondContact O-N 2.92Å; N20-T23 VanDerWaalsContact O-N 3.16Å; N20-T23 PolarHBondContact O-OG1 3.06Å; N20-T23 PolarHBondContact OD1-N 2.94Å; N20-T23 PolarHBondContact OD1-OG1 3.44Å; T23-Y25 VanDerWaalsContact C-N 3.33Å; T23-Y25 PolarHBondContact O-N 2.89Å; T23-H26 WeakPolarHBondContact O-CB 3.38Å; T23-H26 PolarHBondContact O-N 2.85Å; T23-L27 WeakPolarHBondContact O-CG 3.35Å; T23-L27 PolarHBondContact O-N 2.88Å
24E86.3Confident88.5Confident54 Ų5469.4 Ų69.425%0.25235%0.345SS..Hα-helixtrans-54.1-48.4-175.4-164.1-172.2168.600112.3N20 H26 L27 G28 M201N20-E24 WeakPolarHBondContact O-CB 3.41Å; N20-E24 PolarHBondContact O-N 2.73Å; E24-H26 VanDerWaalsContact C-N 3.33Å; E24-H26 PolarHBondContact O-N 2.85Å; E24-L27 PolarHBondContact O-N 3.11Å; E24-G28 PolarHBondContact O-N 3.32Å; E24-M201 VanDerWaalsContact C-CE 3.47Å; E24-M201 HydrophobicContact CB-CE 4.34Å; E24-M201 HydrophobicContact CG-CE 3.74Å; E24-M201 WeakPolarHBondContact O-CE 3.22Å
25Y86.3Confident88.3Confident56 Ų5667.9 Ų67.922%0.2234%0.339CS..Hα-helixtrans-61.4-40.7177.3-66.2-73000112.8T23 G28 L29 N198 K200 M201 M204T23-Y25 VanDerWaalsContact C-N 3.33Å; T23-Y25 PolarHBondContact O-N 2.89Å; Y25-G28 PolarHBondContact O-N 3.44Å; Y25-L29 PolarHBondContact O-N 3.15Å; Y25-N198 WeakPolarHBondContact CE1-OD1 3.28Å; Y25-N198 PolarHBondContact OH-ND2 3.33Å; Y25-N198 VanDerWaalsContact OH-ND2 3.1Å; Y25-K200 HydrophobicContact CD1-CD 4.36Å; Y25-K200 HydrophobicContact CD1-CG 4.16Å; Y25-K200 HydrophobicContact CE1-CB 3.75Å; Y25-K200 HydrophobicContact CE1-CD 3.71Å; Y25-K200 HydrophobicContact CE1-CG 3.6Å; Y25-M201 HydrophobicContact CD1-CB 4.34Å; Y25-M201 HydrophobicContact CD1-CE 3.97Å; Y25-M201 HydrophobicContact CD1-SD 4.21Å; Y25-M201 HydrophobicContact CE1-CB 4.29Å; Y25-M201 HydrophobicContact CG-CE 4.39Å; Y25-M204 HydrophobicContact CD1-SD 3.7Å; Y25-M204 HydrophobicContact CG-SD 4.07Å
26H89.1Confident88.2Confident71 Ų7166 Ų6633%0.32932%0.315SS..Hα-helixtrans-66.2-45.3177.6-173.356.9000111.1E13 T23 E24 G28 L29 L30E13-H26 IonicContact OE1-CD2 2.73Å; E13-H26 IonicContact OE1-CE1 3.95Å; E13-H26 PolarHBondContact OE1-CE1 2.85Å; E13-H26 VanDerWaalsContact OE1-CE1 3.31Å; E13-H26 IonicContact OE1-NE2 3.76Å; E13-H26 PolarHBondContact OE1-NE2 2.94Å; T23-H26 WeakPolarHBondContact O-CB 3.38Å; T23-H26 PolarHBondContact O-N 2.85Å; E24-H26 VanDerWaalsContact C-N 3.33Å; E24-H26 PolarHBondContact O-N 2.85Å; H26-G28 VanDerWaalsContact C-N 3.33Å; H26-G28 PolarHBondContact O-N 2.84Å; H26-L29 WeakPolarHBondContact O-CB 3.14Å; H26-L29 PolarHBondContact O-N 2.64Å; H26-L29 VanDerWaalsContact O-N 3.15Å; H26-L30 WeakPolarHBondContact O-CG 3.34Å; H26-L30 PolarHBondContact O-N 3.31Å
27L89.3Confident88Confident21 Ų2157.9 Ų57.911%0.1129%0.285CS..Hα-helixtrans-59.8-41.6175.2-72.8172.6000112I14 T17 K19 T23 E24 L29 L30 K31I14-L27 HydrophobicContact CG2-CD2 4.36Å; T17-L27 HydrophobicContact CG2-CD1 4.41Å; T17-L27 HydrophobicContact CG2-CD2 3.85Å; T17-L27 HydrophobicContact CG2-CG 4.05Å; K19-L27 HydrophobicContact CB-CD1 3.94Å; K19-L27 HydrophobicContact CG-CD1 4.02Å; T23-L27 WeakPolarHBondContact O-CG 3.35Å; T23-L27 PolarHBondContact O-N 2.88Å; E24-L27 PolarHBondContact O-N 3.11Å; L27-L29 VanDerWaalsContact C-N 3.35Å; L27-L30 PolarHBondContact O-N 3.43Å; L27-K31 WeakPolarHBondContact O-CB 3.27Å; L27-K31 VanDerWaalsContact O-CG 3.27Å; L27-K31 WeakPolarHBondContact O-CG 3.48Å; L27-K31 PolarHBondContact O-N 3.4Å
28G85.7Confident87.7Confident3 Ų359.1 Ų59.13%0.03129%0.286CS..Hα-helixtrans-62.5-40.4174.700000112.8E24 Y25 H26 K31 A32E24-G28 PolarHBondContact O-N 3.32Å; Y25-G28 PolarHBondContact O-N 3.44Å; H26-G28 VanDerWaalsContact C-N 3.33Å; H26-G28 PolarHBondContact O-N 2.84Å; G28-K31 PolarHBondContact O-N 3.05Å; G28-A32 PolarHBondContact O-N 2.86Å
29L89.8Confident87.4Confident33 Ų3352.6 Ų52.617%0.17326%0.258CS..Hα-helixtrans-65.6-44.6175.1-175.966.9000112.1Y25 H26 L27 K31 A32 K33 E208Y25-L29 PolarHBondContact O-N 3.15Å; H26-L29 WeakPolarHBondContact O-CB 3.14Å; H26-L29 PolarHBondContact O-N 2.64Å; H26-L29 VanDerWaalsContact O-N 3.15Å; L27-L29 VanDerWaalsContact C-N 3.35Å; L29-K31 VanDerWaalsContact C-N 3.31Å; L29-K31 PolarHBondContact O-N 3.07Å; L29-A32 PolarHBondContact O-N 2.72Å; L29-K33 WeakPolarHBondContact O-CG 3.46Å; L29-K33 PolarHBondContact O-N 2.67Å; L29-E208 HydrophobicContact CD1-CB 3.7Å; L29-E208 HydrophobicContact CD1-CG 3.96Å
30L92.9Very high87.3Confident3 Ų347.9 Ų47.92%0.01624%0.238CC..Hα-helixtrans-60.2-42.4176-70.6178.1000111.2I10 E13 I14 H26 L27 K33 L34I10-L30 HydrophobicContact CG1-CD2 4.42Å; I10-L30 HydrophobicContact CG2-CB 4.09Å; I10-L30 HydrophobicContact CG2-CD2 4.25Å; E13-L30 HydrophobicContact CB-CD1 4.22Å; E13-L30 HydrophobicContact CG-CD1 3.79Å; E13-L30 WeakPolarHBondContact OE2-CD2 3.45Å; I14-L30 HydrophobicContact CD1-CB 3.93Å; I14-L30 HydrophobicContact CG1-CB 3.72Å; I14-L30 HydrophobicContact CG1-CD1 3.81Å; I14-L30 HydrophobicContact CG1-CG 4.42Å; H26-L30 WeakPolarHBondContact O-CG 3.34Å; H26-L30 PolarHBondContact O-N 3.31Å; L27-L30 PolarHBondContact O-N 3.43Å; L30-K33 PolarHBondContact O-N 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.49Å; L30-L34 PolarHBondContact O-N 3.03Å
31K89.6Confident86.8Confident67 Ų6745.4 Ų45.429%0.29123%0.225SC..Hα-helixtrans-61.6-42.9174.5-76.4169.3157-141.70112.7I14 L27 G28 L29 L34 A35 D225 I228I14-K31 HydrophobicContact CD1-CG 4.39Å; L27-K31 WeakPolarHBondContact O-CB 3.27Å; L27-K31 VanDerWaalsContact O-CG 3.27Å; L27-K31 WeakPolarHBondContact O-CG 3.48Å; L27-K31 PolarHBondContact O-N 3.4Å; G28-K31 PolarHBondContact O-N 3.05Å; L29-K31 VanDerWaalsContact C-N 3.31Å; L29-K31 PolarHBondContact O-N 3.07Å; K31-L34 PolarHBondContact O-N 3.31Å; K31-A35 WeakPolarHBondContact O-CB 3.35Å; K31-A35 PolarHBondContact O-N 3.3Å; K31-D225 VanDerWaalsContact CD-OD1 3.28Å; K31-D225 WeakPolarHBondContact CD-OD1 3.4Å; K31-D225 WeakPolarHBondContact CE-OD1 3.39Å; K31-D225 IonicContact NZ-OD1 2.63Å; K31-D225 PolarHBondContact NZ-OD1 3.04Å; K31-D225 IonicContact NZ-OD2 2.81Å; K31-D225 PolarHBondContact NZ-OD2 2.96Å; K31-I228 HydrophobicContact CB-CD1 3.87Å
32A89.2Confident86.3Confident0 Ų038.4 Ų38.40%020%0.196CC..Hα-helixtrans-62.3-45.2175.200000111.6G28 L29 L34 A35 K36 I205 E208 Y209 I228G28-A32 PolarHBondContact O-N 2.86Å; L29-A32 PolarHBondContact O-N 2.72Å; A32-L34 PolarHBondContact O-N 3Å; A32-A35 PolarHBondContact O-N 3.33Å; A32-K36 WeakPolarHBondContact O-CB 3.49Å; A32-K36 PolarHBondContact O-N 3.04Å; A32-I205 HydrophobicContact CB-CG1 4.41Å; A32-I205 HydrophobicContact CB-CG2 4.22Å; A32-E208 HydrophobicContact CB-CB 4.37Å; A32-E208 HydrophobicContact CB-CG 4.12Å; A32-Y209 HydrophobicContact CB-CE2 3.96Å; A32-Y209 PolarHBondContact O-OH 2.82Å; A32-I228 HydrophobicContact CB-CD1 4.15Å; A32-I228 HydrophobicContact CB-CG1 4.37Å
33K91.5Very high85.6Confident59 Ų5940 Ų4026%0.25719%0.188SC..Hα-helixtrans-60.4-45.4174.8-72.4176.6179.4176.70112I10 L29 L30 K36 Y37 E208I10-K33 HydrophobicContact CD1-CB 3.73Å; L29-K33 WeakPolarHBondContact O-CG 3.46Å; L29-K33 PolarHBondContact O-N 2.67Å; L30-K33 PolarHBondContact O-N 3.31Å; K33-K36 WeakPolarHBondContact O-CB 3.43Å; K33-K36 PolarHBondContact O-N 3.41Å; K33-Y37 HydrophobicContact CB-CE2 4.37Å; K33-Y37 VanDerWaalsContact O-CD2 3.22Å; K33-Y37 WeakPolarHBondContact O-CD2 3.47Å; K33-Y37 PolarHBondContact O-N 3.47Å; K33-E208 WeakPolarHBondContact CE-OE2 3.04Å; K33-E208 VanDerWaalsContact CG-CD 3.41Å; K33-E208 HydrophobicContact CG-CG 3.82Å
34L90.9Very high84.2Confident17 Ų1742.6 Ų42.69%0.08921%0.205CC..Hα-helixtrans-59.4-48.7178-176.164.1000111.3I7 I10 E11 I14 L30 K31 A32 K36 Y37 R38I7-L34 HydrophobicContact CB-CD1 4.4Å; I7-L34 HydrophobicContact CG1-CD1 4.38Å; I7-L34 HydrophobicContact CG2-CD1 3.83Å; I10-L34 HydrophobicContact CG2-CB 3.98Å; I10-L34 HydrophobicContact CG2-CD1 4.34Å; E11-L34 HydrophobicContact CG-CD1 3.89Å; E11-L34 HydrophobicContact CG-CD2 4.33Å; I14-L34 HydrophobicContact CD1-CD2 4.15Å; L30-L34 WeakPolarHBondContact O-CB 3.49Å; L30-L34 PolarHBondContact O-N 3.03Å; K31-L34 PolarHBondContact O-N 3.31Å; A32-L34 PolarHBondContact O-N 3Å; L34-K36 VanDerWaalsContact C-N 3.32Å; L34-K36 PolarHBondContact O-N 3.43Å; L34-Y37 PolarHBondContact O-N 3.24Å; L34-R38 WeakPolarHBondContact O-CB 3.41Å; L34-R38 WeakPolarHBondContact O-CG 3.41Å; L34-R38 PolarHBondContact O-N 2.92Å
35A86.9Confident82.4Confident12 Ų1244.8 Ų44.810%0.09922%0.215CC..Hα-helixtrans-62.9-37.7179.200000112.5K31 A32 S39 I228 V232K31-A35 WeakPolarHBondContact O-CB 3.35Å; K31-A35 PolarHBondContact O-N 3.3Å; A32-A35 PolarHBondContact O-N 3.33Å; A35-S39 WeakPolarHBondContact O-CB 3.36Å; A35-S39 PolarHBondContact O-N 3.2Å; A35-I228 HydrophobicContact CB-CG2 3.4Å; A35-I228 VanDerWaalsContact CB-CG2 3.4Å; A35-V232 HydrophobicContact CB-CG2 4.33Å
36K87.4Confident80.6Confident45 Ų4548.4 Ų48.420%0.19624%0.238CC..Hα-helixtrans-64.2-48.1174.8-179.2179.5176.8-179.40111.9A32 K33 L34 S39 Q40 E208 Y209A32-K36 WeakPolarHBondContact O-CB 3.49Å; A32-K36 PolarHBondContact O-N 3.04Å; K33-K36 WeakPolarHBondContact O-CB 3.43Å; K33-K36 PolarHBondContact O-N 3.41Å; L34-K36 VanDerWaalsContact C-N 3.32Å; L34-K36 PolarHBondContact O-N 3.43Å; K36-S39 PolarHBondContact O-N 3.13Å; K36-Q40 WeakPolarHBondContact O-CG 3.31Å; K36-Q40 PolarHBondContact O-N 3.4Å; K36-E208 PolarHBondContact NZ-O 2.95Å; K36-E208 IonicContact NZ-OE1 3.5Å; K36-E208 PolarHBondContact NZ-OE1 2.88Å; K36-Y209 HydrophobicContact CB-CE1 3.87Å; K36-Y209 HydrophobicContact CD-CE1 4.39Å; K36-Y209 HydrophobicContact CG-CE1 4.18Å
37Y88Confident78.4Confident44 Ų4454.7 Ų54.717%0.17326%0.264CS..Hα-helixtrans-66.2-39.4178.2-68.1-44.7000112.6I3 K6 I10 K33 L34 S39 Q40 L41I3-Y37 HydrophobicContact CG2-CD1 4.41Å; I3-Y37 HydrophobicContact CG2-CG 4.49Å; K6-Y37 HydrophobicContact CB-CD2 4.18Å; K6-Y37 HydrophobicContact CB-CE2 3.99Å; K6-Y37 HydrophobicContact CD-CE1 4.07Å; K6-Y37 HydrophobicContact CD-CE2 4.25Å; I10-Y37 HydrophobicContact CD1-CD2 3.7Å; I10-Y37 HydrophobicContact CD1-CE2 3.57Å; K33-Y37 HydrophobicContact CB-CE2 4.37Å; K33-Y37 VanDerWaalsContact O-CD2 3.22Å; K33-Y37 WeakPolarHBondContact O-CD2 3.47Å; K33-Y37 PolarHBondContact O-N 3.47Å; L34-Y37 PolarHBondContact O-N 3.24Å; Y37-S39 PolarHBondContact O-N 3.37Å; Y37-Q40 PolarHBondContact O-N 2.92Å; Y37-L41 PolarHBondContact O-N 3.26Å
38R84.1Confident76.1Confident62 Ų6257.6 Ų57.623%0.23429%0.292CS..Hα-helixtrans-61.3-41.6173.1-74.1173.1172.2-176.1-3.6112I7 E11 L34 L41 L42 A164I7-R38 HydrophobicContact CD1-CG 4.22Å; E11-R38 IonicContact OE1-CZ 2.83Å; E11-R38 IonicContact OE1-NE 3.79Å; E11-R38 IonicContact OE1-NH2 2.66Å; E11-R38 PolarHBondContact OE1-NH2 3.15Å; L34-R38 WeakPolarHBondContact O-CB 3.41Å; L34-R38 WeakPolarHBondContact O-CG 3.41Å; L34-R38 PolarHBondContact O-N 2.92Å; R38-L41 WeakPolarHBondContact O-CB 3.24Å; R38-L41 PolarHBondContact O-N 3.39Å; R38-L42 PolarHBondContact O-N 2.88Å; R38-A164 WeakPolarHBondContact CD-O 3.48Å; R38-A164 VanDerWaalsContact CZ-CB 3.45Å
39S81.6Confident73.7Confident21 Ų2162.5 Ų62.515%0.14732%0.321CS..Hα-helixtrans-63.6-42.2174.7-158.60000112.2A35 K36 Y37 L41 L42 E43A35-S39 WeakPolarHBondContact O-CB 3.36Å; A35-S39 PolarHBondContact O-N 3.2Å; K36-S39 PolarHBondContact O-N 3.13Å; Y37-S39 PolarHBondContact O-N 3.37Å; S39-L41 VanDerWaalsContact C-N 3.32Å; S39-L41 PolarHBondContact O-N 3.44Å; S39-L42 WeakPolarHBondContact O-CB 3.41Å; S39-L42 PolarHBondContact O-N 2.88Å; S39-E43 PolarHBondContact O-N 2.7Å
40Q81.8Confident71Confident67 Ų6771.8 Ų71.831%0.31336%0.36SS..Hα-helixtrans-61.3-39.9176.7-73.7176.6-4.900111.9I3 K36 Y37 L42 E43 T44I3-Q40 HydrophobicContact CD1-CB 4.43Å; K36-Q40 WeakPolarHBondContact O-CG 3.31Å; K36-Q40 PolarHBondContact O-N 3.4Å; Y37-Q40 PolarHBondContact O-N 2.92Å; Q40-L42 PolarHBondContact O-N 3.34Å; Q40-E43 PolarHBondContact O-N 3.11Å; Q40-E43 VanDerWaalsContact O-N 3.15Å; Q40-T44 WeakPolarHBondContact O-CB 3.38Å; Q40-T44 PolarHBondContact O-N 3.43Å; Q40-T44 PolarHBondContact O-OG1 3.36Å
41L78.2Confident68.2Low19 Ų1973.9 Ų73.910%0.09938%0.382CS..Hα-helixtrans-56.1-43.3173.3-72.7177.9000111.1I3 L4 I7 Y37 R38 S39 E43 R130I3-L41 HydrophobicContact CB-CD2 4.09Å; I3-L41 HydrophobicContact CG2-CD1 4.48Å; I3-L41 HydrophobicContact CG2-CD2 3.73Å; I3-L41 HydrophobicContact CG2-CG 3.8Å; L4-L41 HydrophobicContact CD2-CD1 3.86Å; L4-L41 HydrophobicContact CD2-CD2 4.13Å; I7-L41 HydrophobicContact CD1-CD1 3.35Å; I7-L41 HydrophobicContact CD1-CG 4.11Å; Y37-L41 PolarHBondContact O-N 3.26Å; R38-L41 WeakPolarHBondContact O-CB 3.24Å; R38-L41 PolarHBondContact O-N 3.39Å; S39-L41 VanDerWaalsContact C-N 3.32Å; S39-L41 PolarHBondContact O-N 3.44Å; L41-E43 PolarHBondContact O-N 3.43Å; L41-R130 PolarHBondContact O-NE 3.38Å; L41-R130 PolarHBondContact O-NH1 3.09Å; L41-R130 PolarHBondContact O-NH2 3.19Å
42L71.5Confident65.6Low37 Ų3776.6 Ų76.619%0.19440%0.4CS..Hα-helixtrans-66.9-35.1178.3-62.2171000112.6R38 S39 Q40 I133R38-L42 PolarHBondContact O-N 2.88Å; S39-L42 WeakPolarHBondContact O-CB 3.41Å; S39-L42 PolarHBondContact O-N 2.88Å; Q40-L42 PolarHBondContact O-N 3.34Å; L42-I133 HydrophobicContact CD2-CD1 4.49Å; L42-I133 HydrophobicContact CD2-CG2 4.33Å
43E70.5Confident63.1Low117 Ų11779.8 Ų79.855%0.54743%0.433SS..Hα-helixtrans-80.8-37-177.5-72.9175.3-15900114.9S39 Q40 L41 Q45 N46S39-E43 PolarHBondContact O-N 2.7Å; Q40-E43 PolarHBondContact O-N 3.11Å; Q40-E43 VanDerWaalsContact O-N 3.15Å; L41-E43 PolarHBondContact O-N 3.43Å; E43-Q45 PolarHBondContact O-N 2.86Å; E43-N46 PolarHBondContact O-N 3.46Å
44T57.2Low60.9Low86 Ų8678.9 Ų78.953%0.52843%0.429SS..THydrogen-bonded Turntrans-63.7-17.6-164.6-45.70000113.4Q40Q40-T44 WeakPolarHBondContact O-CB 3.38Å; Q40-T44 PolarHBondContact O-N 3.43Å; Q40-T44 PolarHBondContact O-OG1 3.36Å
45Q49.6Very low58.9Low100 Ų10083.4 Ų83.447%0.46745%0.453SS..THydrogen-bonded Turntrans-91.1-15175.5-90.2176.3-8.400114.7E43 K47E43-Q45 PolarHBondContact O-N 2.86Å; Q45-K47 VanDerWaalsContact C-N 3.28Å; Q45-K47 PolarHBondContact O-N 3.19Å
46N47.8Very low57.5Low133 Ų13383.2 Ų83.271%0.71145%0.451SS*.THydrogen-bonded Turntrans-76.1-14-179.8-72.3-14.2000113.5E43E43-N46 PolarHBondContact O-N 3.46Å
47K42.5Very low56.1Low202 Ų20288 Ų8888%0.87848%0.475SS*.THydrogen-bonded Turntrans-95.8-12.7-176.1-77.7-175176177.50115.1Q45Q45-K47 VanDerWaalsContact C-N 3.28Å; Q45-K47 PolarHBondContact O-N 3.19Å
48A40.5Very low55Low83 Ų8390.9 Ų90.969%0.68649%0.489SS*.SBendtrans-97.6-10.7-17300000114.7
49T36.7Very low54.1Low106 Ų10690.4 Ų90.465%0.6550%0.495SS*.  trans-158127.2176.1-1.40000109.4G51T49-G51 PolarHBondContact O-N 3.04Å
50K31.9Very low53.9Low228 Ų22891.4 Ų91.499%0.99151%0.509SS*.  trans-66.457.9149.1-80.4-177.5170.2-178.80108
51G35.1Very low54.1Low46 Ų4690.5 Ų90.547%0.47451%0.506SS..  trans-103.2124-174.300000108.7T49 G53T49-G51 PolarHBondContact O-N 3.04Å; G51-G53 PolarHBondContact O-N 2.66Å
52D35.3Very low54.6Low125 Ų12589.6 Ų89.667%0.66850%0.501SS*.  trans-10.9107.4-179.2-64.6-38.2000114.7F54D52-F54 PolarHBondContact O-N 2.9Å; D52-F54 VanDerWaalsContact O-N 3.12Å
53G36.9Very low55.5Low67 Ų6788 Ų8869%0.69149%0.493SS*.  trans-50.6123.5171.300000108.6G51 D55G51-G53 PolarHBondContact O-N 2.66Å; G53-D55 PolarHBondContact O-N 2.94Å
54F44.6Very low56.6Low39 Ų3982.5 Ų82.517%0.17147%0.467CS..  trans-62.182.1161.6-168.8-75.8000106.5D52 V56 T94 L96 Q131 V135D52-F54 PolarHBondContact O-N 2.9Å; D52-F54 VanDerWaalsContact O-N 3.12Å; F54-V56 HydrophobicContact CE1-CG2 3.82Å; F54-V56 HydrophobicContact CZ-CG2 4.42Å; F54-T94 HydrophobicContact CD2-CG2 3.69Å; F54-T94 HydrophobicContact CE2-CG2 3.65Å; F54-L96 HydrophobicContact CE2-CB 4.18Å; F54-L96 HydrophobicContact CE2-CD1 4.09Å; F54-L96 HydrophobicContact CZ-CB 4.33Å; F54-L96 HydrophobicContact CZ-CD1 4.29Å; F54-Q131 HydrophobicContact CB-CG 4.25Å; F54-Q131 HydrophobicContact CD1-CB 4.38Å; F54-Q131 HydrophobicContact CD2-CB 3.71Å; F54-Q131 HydrophobicContact CD2-CG 3.64Å; F54-Q131 HydrophobicContact CE2-CB 3.91Å; F54-Q131 HydrophobicContact CE2-CG 4.22Å; F54-Q131 HydrophobicContact CG-CB 3.95Å; F54-Q131 HydrophobicContact CG-CG 4.02Å; F54-Q131 HydrophobicContact CZ-CB 4.38Å; F54-V135 HydrophobicContact CD1-CG2 3.48Å; F54-V135 VanDerWaalsContact CD1-CG2 3.48Å; F54-V135 HydrophobicContact CE1-CG2 3.05Å; F54-V135 HydrophobicContact CZ-CG2 4.12Å
55D49.6Very low58.2Low113 Ų11378.4 Ų78.460%0.60444%0.442SS*.  trans-118.290176.8-160.410.1000105.5G53 M57G53-D55 PolarHBondContact O-N 2.94Å; D55-M57 PolarHBondContact O-N 3.4Å
56V56.6Low60.2Low7 Ų773.6 Ų73.64%0.04242%0.419CS..  trans-55.3115157.9176.40000103.8F54 K58 R63 Y91 L113F54-V56 HydrophobicContact CE1-CG2 3.82Å; F54-V56 HydrophobicContact CZ-CG2 4.42Å; V56-K58 PolarHBondContact O-N 2.85Å; V56-R63 PolarHBondContact O-NH2 3.25Å; V56-Y91 HydrophobicContact CG2-CE2 4.46Å; V56-L113 HydrophobicContact CG1-CD1 4.32Å; V56-L113 HydrophobicContact CG1-CD2 3.98Å
57M57.4Low62.2Low145 Ų14567.3 Ų67.371%0.71439%0.386SS*.  trans-56.6130.9-175.5-171.5177.7-64.700108.4D55 S59 R63 Q111D55-M57 PolarHBondContact O-N 3.4Å; M57-S59 PolarHBondContact O-N 3.48Å; M57-R63 VanDerWaalsContact C-NH2 3.3Å; M57-R63 PolarHBondContact O-NH2 2.93Å; M57-Q111 PolarHBondContact O-NE2 3.06Å; M57-Q111 VanDerWaalsContact O-NE2 3.15Å
58K65.1Low64.3Low105 Ų10557.8 Ų57.846%0.45735%0.345SS..  trans-66.4106.4174.6-166.1-178.6174-161.70108.3V56 R309V56-K58 PolarHBondContact O-N 2.85Å; K58-R309 VanDerWaalsContact CE-NH2 3.35Å
59S66.5Low66.4Low53 Ų5355.1 Ų55.137%0.37132%0.318SS..  trans-108.1152172.2650000109.1M57 Q111M57-S59 PolarHBondContact O-N 3.48Å; S59-Q111 WeakPolarHBondContact O-CB 3.39Å; S59-Q111 PolarHBondContact OG-NE2 2.9Å
60G77.3Confident68.6Low41 Ų4154.5 Ų54.542%0.42332%0.315SS..SBendtrans73.8-173.3-177.600000114.5N109G60-N109 CarbonylContact C-O 3.54Å; G60-N109 VanDerWaalsContact CA-O 3.24Å; G60-N109 WeakPolarHBondContact CA-O 3.48Å
61D84.7Confident71.1Confident49 Ų4948.8 Ų48.826%0.26231%0.305SS..SBendtrans-84.7-28.4-173.1-53.6-63.8000112A108 N109 V307D61-A108 HydrophobicContact CB-CB 4.32Å; D61-A108 VanDerWaalsContact OD2-CA 3.28Å; D61-A108 WeakPolarHBondContact OD2-CA 3.18Å; D61-N109 PolarHBondContact N-O 2.98Å; D61-N109 PolarHBondContact OD2-N 2.99Å; D61-V307 HydrophobicContact CB-CB 4.12Å; D61-V307 HydrophobicContact CB-CG1 3.96Å
62A90.3Very high73.7Confident0 Ų046.7 Ų46.70%028%0.282CS..EExtended strand (participates in β ladder)trans-145.3153.2179.100000112.7I110 Q111 D140 L286 L288A62-I110 HydrophobicContact CB-CG1 4.45Å; A62-I110 HydrophobicContact CB-CG2 4.4Å; A62-Q111 PolarHBondContact O-N 3.43Å; A62-D140 WeakPolarHBondContact CA-OD2 3.44Å; A62-L286 HydrophobicContact CB-CD1 3.96Å; A62-L286 HydrophobicContact CB-CD2 3.88Å; A62-L286 HydrophobicContact CB-CG 4.47Å; A62-L288 HydrophobicContact CB-CD1 4.04Å; A62-L288 HydrophobicContact CB-CD2 4.32Å
63R90Very high76.2Confident4 Ų441.4 Ų41.42%0.01526%0.258CS..EExtended strand (participates in β ladder)trans-115.4127.1174.3176.4-179.8-70.4177.6-6.3111V56 M57 Q111 L113 T138 A139 D140 L141V56-R63 PolarHBondContact O-NH2 3.25Å; M57-R63 VanDerWaalsContact C-NH2 3.3Å; M57-R63 PolarHBondContact O-NH2 2.93Å; R63-Q111 CarbonylContact C-O 3.45Å; R63-Q111 WeakPolarHBondContact CA-O 3.33Å; R63-L113 HydrophobicContact CG-CD1 3.78Å; R63-L113 HydrophobicContact CG-CG 4.37Å; R63-T138 PolarHBondContact NH1-OG1 2.89Å; R63-A139 HydrophobicContact CG-CB 4.25Å; R63-D140 PolarHBondContact N-OD2 2.73Å; R63-D140 WeakPolarHBondContact O-CB 3.36Å; R63-D140 PolarHBondContact O-N 3.15Å; R63-L141 PolarHBondContact O-N 2.63Å
64V92.8Very high78.6Confident0 Ų039.2 Ų39.20%023%0.229CC..EExtended strand (participates in β ladder)trans-117.1128.3176.5178.90000109.1I110 Q111 L112 L113 L141 L143 L282 L286V64-I110 HydrophobicContact CB-CG2 4.38Å; V64-I110 HydrophobicContact CG2-CG2 3.52Å; V64-Q111 PolarHBondContact N-O 3.24Å; V64-L112 HydrophobicContact CB-CD1 3.96Å; V64-L112 HydrophobicContact CG1-CD1 3.68Å; V64-L113 PolarHBondContact O-N 2.93Å; V64-L141 WeakPolarHBondContact CA-O 3.4Å; V64-L141 HydrophobicContact CG1-CD2 3.85Å; V64-L141 HydrophobicContact CG2-CB 4.45Å; V64-L141 HydrophobicContact CG2-CD2 4.48Å; V64-L143 HydrophobicContact CG1-CB 3.7Å; V64-L282 HydrophobicContact CG1-CD1 4.18Å; V64-L282 HydrophobicContact CG2-CD1 4Å; V64-L286 HydrophobicContact CG2-CD1 4.13Å; V64-L286 HydrophobicContact CG2-CD2 4Å; V64-L286 HydrophobicContact CG2-CG 4.46Å
65S91.2Very high80.6Confident0 Ų040.5 Ų40.50%024%0.243CC..EExtended strand (participates in β ladder)trans-97.2118.2172.9-75.80000110.6A139 L141 V142 L143S65-A139 WeakPolarHBondContact OG-CB 3.28Å; S65-L141 PolarHBondContact N-O 2.96Å; S65-V142 CarbonylContact O-C 3.59Å; S65-L143 PolarHBondContact O-N 3.3Å
66L91.4Very high82.5Confident0 Ų038.4 Ų38.40%024%0.235CC..EExtended strand (participates in β ladder)trans-84.6121173.8178.963.4000109.7K74 L77 L112 L113 L115 L143 M145L66-K74 HydrophobicContact CD1-CG 4.44Å; L66-K74 HydrophobicContact CD2-CB 3.77Å; L66-K74 HydrophobicContact CD2-CG 4.21Å; L66-K74 HydrophobicContact CG-CB 4.25Å; L66-K74 HydrophobicContact CG-CD 4.14Å; L66-K74 HydrophobicContact CG-CG 4.15Å; L66-L77 HydrophobicContact CD1-CD2 4.14Å; L66-L112 HydrophobicContact CB-CD1 4.03Å; L66-L113 PolarHBondContact N-O 3.36Å; L66-L115 WeakPolarHBondContact O-CB 3.45Å; L66-L115 PolarHBondContact O-N 3.45Å; L66-L143 WeakPolarHBondContact CA-O 3.5Å; L66-L143 HydrophobicContact CD1-CB 4.29Å; L66-L143 HydrophobicContact CD1-CD2 4.12Å; L66-L143 HydrophobicContact CD1-CG 4.23Å; L66-M145 HydrophobicContact CD1-CB 4.06Å
67I88.9Confident84.2Confident1 Ų138.1 Ų38.11%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-128139.4-176.5-63.8-175.1000109.5L115 I119 V142 L143 M144 M145 L158 L162I67-L115 HydrophobicContact CD1-CD1 4.08Å; I67-L115 HydrophobicContact CG1-CB 4.36Å; I67-L115 HydrophobicContact CG1-CD1 3.98Å; I67-I119 HydrophobicContact CB-CD1 4.5Å; I67-I119 HydrophobicContact CD1-CD1 4.14Å; I67-I119 HydrophobicContact CG1-CD1 4.44Å; I67-I119 HydrophobicContact CG2-CD1 3.38Å; I67-V142 HydrophobicContact CB-CG1 4.34Å; I67-V142 HydrophobicContact CD1-CG1 3.74Å; I67-V142 HydrophobicContact CG1-CG1 4.16Å; I67-L143 PolarHBondContact N-O 3.49Å; I67-M144 CarbonylContact O-C 3.57Å; I67-M144 WeakPolarHBondContact O-CA 3.25Å; I67-M145 PolarHBondContact O-N 2.66Å; I67-L158 HydrophobicContact CG2-CD2 4Å; I67-L162 HydrophobicContact CD1-CD1 3.96Å; I67-L162 HydrophobicContact CD1-CD2 3.76Å; I67-L162 HydrophobicContact CD1-CG 4.43Å
68G88.1Confident85.7Confident2 Ų231.3 Ų31.32%0.02120%0.199CC..  trans168163.517600000112.3K74 M145G68-K74 WeakPolarHBondContact O-CE 2.99Å; G68-K74 PolarHBondContact O-NZ 2.84Å; G68-M145 WeakPolarHBondContact CA-O 3.25Å
69F85Confident86.8Confident27 Ų2730.9 Ų30.912%0.11820%0.202CC..  trans-62.3160.2177.5-70.7-72.9000112.4V72 K74 E120 H154 L157 L158F69-V72 HydrophobicContact CB-CG1 3.87Å; F69-V72 WeakPolarHBondContact O-CG2 3.48Å; F69-K74 PolarHBondContact O-NZ 3.32Å; F69-E120 HydrophobicContact CE1-CG 4.31Å; F69-E120 VanDerWaalsContact CE1-OE1 3.28Å; F69-E120 WeakPolarHBondContact CE1-OE1 3.48Å; F69-H154 HydrophobicContact CD2-CB 3.82Å; F69-H154 AromaticContact CD2-CD2 3.77Å; F69-H154 AromaticContact CD2-CG 3.53Å; F69-H154 AromaticContact CD2-ND1 3.81Å; F69-H154 HydrophobicContact CE2-CB 3.78Å; F69-H154 AromaticContact CE2-CD2 3.93Å; F69-H154 AromaticContact CE2-CG 3.84Å; F69-L157 HydrophobicContact CE2-CB 4.33Å; F69-L157 HydrophobicContact CE2-CD1 4.49Å; F69-L157 HydrophobicContact CZ-CB 3.85Å; F69-L157 HydrophobicContact CZ-CD1 3.96Å; F69-L158 HydrophobicContact CD2-CD1 4.17Å; F69-L158 HydrophobicContact CD2-CG 4.35Å; F69-L158 HydrophobicContact CE2-CD1 3.98Å; F69-L158 HydrophobicContact CE2-CD2 4.08Å; F69-L158 HydrophobicContact CE2-CG 3.71Å; F69-L158 HydrophobicContact CZ-CD2 4.12Å; F69-L158 HydrophobicContact CZ-CG 4.11Å
70P82.5Confident87.9Confident92 Ų9230.6 Ų30.660%0.59720%0.2SC*.THydrogen-bonded Turntrans-51.6150.4165.1-24.835.4000111.4V72P70-V72 PolarHBondContact O-N 2.93Å
71S84.6Confident88.6Confident109 Ų10929.4 Ų29.476%0.76218%0.184SC*.THydrogen-bonded Turntrans63.49.8173.4-48.30000117.2G73 K246S71-G73 VanDerWaalsContact C-N 3.31Å; S71-K246 VanDerWaalsContact O-CE 3.3Å; S71-K246 WeakPolarHBondContact O-CE 3.45Å; S71-K246 PolarHBondContact O-NZ 3.2Å
72V89.4Confident88.7Confident1 Ų127.8 Ų27.81%0.00618%0.176CC..SBendtrans-79.4-13.5170.5-55.20000113.1F69 P70 K74 M145 D147 N245F69-V72 HydrophobicContact CB-CG1 3.87Å; F69-V72 WeakPolarHBondContact O-CG2 3.48Å; P70-V72 PolarHBondContact O-N 2.93Å; V72-K74 HydrophobicContact CG2-CG 3.77Å; V72-M145 HydrophobicContact CB-CG 4.48Å; V72-M145 HydrophobicContact CG2-CB 3.96Å; V72-M145 HydrophobicContact CG2-CG 3.81Å; V72-M145 HydrophobicContact CG2-SD 4.16Å; V72-D147 HydrophobicContact CG1-CB 4.3Å; V72-N245 PolarHBondContact O-ND2 2.82Å
73G87.6Confident88.1Confident15 Ų1531.1 Ų31.116%0.15520%0.199CC..SBendtrans109.814.317800000116.2S71 S75 T76 L77 M145S71-G73 VanDerWaalsContact C-N 3.31Å; G73-S75 PolarHBondContact O-N 2.95Å; G73-T76 WeakPolarHBondContact O-CB 3.38Å; G73-T76 PolarHBondContact O-N 3.4Å; G73-L77 PolarHBondContact O-N 3.16Å; G73-M145 VanDerWaalsContact C-CE 3.44Å; G73-M145 WeakPolarHBondContact O-CE 3.38Å
74K87.9Confident87Confident20 Ų2034.5 Ų34.59%0.08722%0.22CC..Hα-helixtrans-51.7-53.8-176.9-66.7-167.4-54.8-70.70113.7L66 G68 F69 V72 T76 L77 L78 D114 M145L66-K74 HydrophobicContact CD1-CG 4.44Å; L66-K74 HydrophobicContact CD2-CB 3.77Å; L66-K74 HydrophobicContact CD2-CG 4.21Å; L66-K74 HydrophobicContact CG-CB 4.25Å; L66-K74 HydrophobicContact CG-CD 4.14Å; L66-K74 HydrophobicContact CG-CG 4.15Å; G68-K74 WeakPolarHBondContact O-CE 2.99Å; G68-K74 PolarHBondContact O-NZ 2.84Å; F69-K74 PolarHBondContact O-NZ 3.32Å; V72-K74 HydrophobicContact CG2-CG 3.77Å; K74-T76 VanDerWaalsContact C-N 3.32Å; K74-T76 PolarHBondContact O-N 3.19Å; K74-L77 WeakPolarHBondContact O-CB 3.36Å; K74-L77 PolarHBondContact O-N 3.42Å; K74-L78 WeakPolarHBondContact O-CB 3.25Å; K74-L78 PolarHBondContact O-N 2.98Å; K74-D114 WeakPolarHBondContact CE-OD1 3.32Å; K74-M145 WeakPolarHBondContact CA-SD 3.06Å; K74-M145 HydrophobicContact CB-SD 4.26Å; K74-M145 HydrophobicContact CG-CB 4.17Å; K74-M145 HydrophobicContact CG-SD 3.94Å; K74-M145 PolarHBondContact N-SD 2.77Å
75S85.6Confident85.4Confident66 Ų6639 Ų3946%0.46224%0.241SC..Hα-helixtrans-65.9-36.3-179-43.80000111.9G73 L78 N79G73-S75 PolarHBondContact O-N 2.95Å; S75-L78 PolarHBondContact O-N 3.35Å; S75-N79 WeakPolarHBondContact O-CB 3.3Å; S75-N79 PolarHBondContact O-N 3.32Å; S75-N79 PolarHBondContact O-OD1 2.85Å
76T89.5Confident83.6Confident70 Ų7042.1 Ų42.143%0.42926%0.262SS..Hα-helixtrans-63.8-42174.1-47.70000111.5G73 K74 S80 C269G73-T76 WeakPolarHBondContact O-CB 3.38Å; G73-T76 PolarHBondContact O-N 3.4Å; K74-T76 VanDerWaalsContact C-N 3.32Å; K74-T76 PolarHBondContact O-N 3.19Å; T76-S80 WeakPolarHBondContact O-CB 3.43Å; T76-S80 PolarHBondContact O-N 3.01Å; T76-S80 PolarHBondContact O-OG 2.81Å; T76-C269 HydrophobicContact CG2-CB 3.84Å
77L91.5Very high81.6Confident0 Ų050.5 Ų50.50%030%0.302CS..Hα-helixtrans-63.9-47.9175.7-177.566.3000111L66 G73 K74 N79 S80 L81 L143 M145 L275 L278L66-L77 HydrophobicContact CD1-CD2 4.14Å; G73-L77 PolarHBondContact O-N 3.16Å; K74-L77 WeakPolarHBondContact O-CB 3.36Å; K74-L77 PolarHBondContact O-N 3.42Å; L77-N79 PolarHBondContact O-N 3.25Å; L77-S80 PolarHBondContact O-N 2.99Å; L77-L81 HydrophobicContact CD1-CD1 3.71Å; L77-L81 HydrophobicContact CD1-CG 3.91Å; L77-L81 HydrophobicContact CG-CD1 3.92Å; L77-L81 HydrophobicContact CG-CG 4.31Å; L77-L81 WeakPolarHBondContact O-CG 3.28Å; L77-L81 PolarHBondContact O-N 3.02Å; L77-L143 HydrophobicContact CD2-CD2 4.05Å; L77-M145 HydrophobicContact CB-CE 3.86Å; L77-M145 HydrophobicContact CB-SD 4.06Å; L77-M145 HydrophobicContact CD2-CE 4.12Å; L77-M145 HydrophobicContact CD2-SD 3.92Å; L77-L275 HydrophobicContact CD1-CD2 3.91Å; L77-L278 HydrophobicContact CD1-CD2 3.73Å; L77-L278 HydrophobicContact CD2-CD2 4.34Å
78L89.8Confident79.6Confident3 Ų353.7 Ų53.72%0.01632%0.324CS..Hα-helixtrans-54.8-53.6178.1-168.8155.5000109.9K74 S75 S80 L81 T82 H85 I99 L112 D114K74-L78 WeakPolarHBondContact O-CB 3.25Å; K74-L78 PolarHBondContact O-N 2.98Å; S75-L78 PolarHBondContact O-N 3.35Å; L78-S80 PolarHBondContact O-N 3.38Å; L78-L81 PolarHBondContact O-N 2.95Å; L78-T82 HydrophobicContact CD2-CG2 4.05Å; L78-T82 HydrophobicContact CG-CG2 4.2Å; L78-T82 WeakPolarHBondContact O-CB 3.49Å; L78-T82 WeakPolarHBondContact O-CG2 3.46Å; L78-T82 PolarHBondContact O-N 3.43Å; L78-T82 PolarHBondContact O-OG1 3.49Å; L78-H85 WeakPolarHBondContact CD2-CE1 3.27Å; L78-H85 WeakPolarHBondContact CD2-ND1 3.28Å; L78-I99 HydrophobicContact CD1-CB 4.4Å; L78-I99 HydrophobicContact CD1-CG2 4.35Å; L78-I99 HydrophobicContact CD2-CG2 4.25Å; L78-L112 HydrophobicContact CB-CD2 4.29Å; L78-L112 HydrophobicContact CG-CD2 4.06Å; L78-D114 HydrophobicContact CD1-CB 3.7Å
79N88.1Confident77.3Confident96 Ų9654.6 Ų54.651%0.51333%0.33SS..Hα-helixtrans-61.9-26.3177.5-62.22.1000114.2S75 L77 H85S75-N79 WeakPolarHBondContact O-CB 3.3Å; S75-N79 PolarHBondContact O-N 3.32Å; S75-N79 PolarHBondContact O-OD1 2.85Å; L77-N79 PolarHBondContact O-N 3.25Å; N79-H85 PolarHBondContact OD1-CE1 3.25Å; N79-H85 PolarHBondContact OD1-NE2 2.71Å
80S90Very high74.8Confident46 Ų4657.8 Ų57.832%0.32236%0.356SS..Hα-helixtrans-83.8-27.6179.9-59.40000113.1T76 L77 L78T76-S80 WeakPolarHBondContact O-CB 3.43Å; T76-S80 PolarHBondContact O-N 3.01Å; T76-S80 PolarHBondContact O-OG 2.81Å; L77-S80 PolarHBondContact O-N 2.99Å; L78-S80 PolarHBondContact O-N 3.38Å
81L91.1Very high72.8Confident17 Ų1758.5 Ų58.59%0.08935%0.348CS..Hα-helixtrans-98.3-24.1-175.9-65.1-174.2000113.7L77 L78 I103 L275 L278 L279L77-L81 HydrophobicContact CD1-CD1 3.71Å; L77-L81 HydrophobicContact CD1-CG 3.91Å; L77-L81 HydrophobicContact CG-CD1 3.92Å; L77-L81 HydrophobicContact CG-CG 4.31Å; L77-L81 WeakPolarHBondContact O-CG 3.28Å; L77-L81 PolarHBondContact O-N 3.02Å; L78-L81 PolarHBondContact O-N 2.95Å; L81-I103 HydrophobicContact CB-CD1 3.95Å; L81-I103 HydrophobicContact CB-CG1 4.11Å; L81-I103 HydrophobicContact CD1-CD1 4.18Å; L81-L275 HydrophobicContact CD2-CB 4.28Å; L81-L278 HydrophobicContact CD1-CD2 4.09Å; L81-L279 HydrophobicContact CD1-CD2 4.37Å; L81-L279 HydrophobicContact CD2-CD1 4.19Å; L81-L279 HydrophobicContact CD2-CD2 4.06Å; L81-L279 HydrophobicContact CD2-CG 4Å
82T86.7Confident70.3Confident15 Ų1561.8 Ų61.89%0.09235%0.351CS..  trans-91.3131.1-172.760.90000111.2L78 T84 H85 V102 I103 L112L78-T82 HydrophobicContact CD2-CG2 4.05Å; L78-T82 HydrophobicContact CG-CG2 4.2Å; L78-T82 WeakPolarHBondContact O-CB 3.49Å; L78-T82 WeakPolarHBondContact O-CG2 3.46Å; L78-T82 PolarHBondContact O-N 3.43Å; L78-T82 PolarHBondContact O-OG1 3.49Å; T82-T84 VanDerWaalsContact C-N 3.31Å; T82-H85 PolarHBondContact OG1-CE1 2.93Å; T82-V102 VanDerWaalsContact CA-O 3.26Å; T82-V102 WeakPolarHBondContact CA-O 3.45Å; T82-V102 WeakPolarHBondContact CB-O 3.42Å; T82-I103 HydrophobicContact CG2-CG1 4.07Å; T82-L112 HydrophobicContact CG2-CD2 4.4Å
83S78.3Confident67.8Low70 Ų7069 Ų6949%0.4938%0.383SS..SBendtrans-68.7-36.1173.357.60000111.1V102 E104S83-V102 PolarHBondContact N-O 3.41Å; S83-V102 VanDerWaalsContact N-O 3.1Å; S83-V102 PolarHBondContact OG-O 2.94Å; S83-E104 PolarHBondContact OG-OE1 3.49Å
84T67.4Low65.6Low74 Ų7469.7 Ų69.745%0.45438%0.384SS..EExtended strand (participates in β ladder)trans-135.3133.9-175.951.10000110.4T82 V102T82-T84 VanDerWaalsContact C-N 3.31Å; T84-V102 PolarHBondContact O-N 3.41Å
85H59.9Low63.4Low95 Ų9573.9 Ų73.944%0.4441%0.411SS..EExtended strand (participates in β ladder)trans-88.7117161.8-64-62.3000107.1L78 N79 T82L78-H85 WeakPolarHBondContact CD2-CE1 3.27Å; L78-H85 WeakPolarHBondContact CD2-ND1 3.28Å; N79-H85 PolarHBondContact OD1-CE1 3.25Å; N79-H85 PolarHBondContact OD1-NE2 2.71Å; T82-H85 PolarHBondContact OG1-CE1 2.93Å
86S52.9Low61.8Low65 Ų6571.2 Ų71.246%0.45539%0.392SS..  trans-70.2133.4164.3174.60000106.5C88 P100S86-C88 PolarHBondContact O-N 2.89Å; S86-P100 PolarHBondContact N-O 2.7Å
87E48.9Very low60.1Low177 Ų17772.3 Ų72.383%0.82740%0.398SS*.  trans-44.7138177.3-70.7-167.9157.500109.4A89E87-A89 PolarHBondContact O-N 3.38Å
88C46.5Very low58.8Low68 Ų6872.6 Ų72.646%0.45940%0.4SS..  trans-42.6108.7175.9-83.30000107.9S86 S90S86-C88 PolarHBondContact O-N 2.89Å; C88-S90 PolarHBondContact O-N 2.94Å
89A39.4Very low57.8Low20 Ų2075 Ų7517%0.16541%0.413CS..  trans-74.382.1178.200000106.4E87 Y91E87-A89 PolarHBondContact O-N 3.38Å; A89-Y91 HydrophobicContact CB-CD2 3.65Å; A89-Y91 HydrophobicContact CB-CE1 4.16Å; A89-Y91 HydrophobicContact CB-CE2 3.22Å; A89-Y91 HydrophobicContact CB-CG 4.3Å; A89-Y91 WeakPolarHBondContact O-CD2 3.27Å; A89-Y91 PolarHBondContact O-N 3.42Å
90S34.3Very low57.4Low95 Ų9570.9 Ų70.966%0.66439%0.391SS*.  trans-68.274.1154.454.30000105.5C88 E92C88-S90 PolarHBondContact O-N 2.94Å; S90-E92 PolarHBondContact O-N 2.86Å
91Y40.4Very low57.2Low107 Ų10768.7 Ų68.742%0.4238%0.376SS..  trans-55.7131.2164.4-61.7-77.8000105.5V56 A89 F93 T94V56-Y91 HydrophobicContact CG2-CE2 4.46Å; A89-Y91 HydrophobicContact CB-CD2 3.65Å; A89-Y91 HydrophobicContact CB-CE1 4.16Å; A89-Y91 HydrophobicContact CB-CE2 3.22Å; A89-Y91 HydrophobicContact CB-CG 4.3Å; A89-Y91 WeakPolarHBondContact O-CD2 3.27Å; A89-Y91 PolarHBondContact O-N 3.42Å; Y91-F93 PolarHBondContact O-N 3.16Å; Y91-T94 WeakPolarHBondContact CB-OG1 3.49Å; Y91-T94 HydrophobicContact CD2-CG2 4.5Å; Y91-T94 PolarHBondContact N-OG1 3.43Å; Y91-T94 PolarHBondContact O-N 3.27Å; Y91-T94 PolarHBondContact O-OG1 2.69Å
92E31.4Very low57.1Low178 Ų17869.4 Ų69.483%0.83238%0.381SS*.THydrogen-bonded Turntrans-55.2-4.8-168-72.5-179.2151.600114.8S90S90-E92 PolarHBondContact O-N 2.86Å
93F37Very low57.4Low152 Ų15268.8 Ų68.867%0.66738%0.377SS*.THydrogen-bonded Turntrans-127.311.1-178.8-54.3-74.1000113.6Y91Y91-F93 PolarHBondContact O-N 3.16Å
94T42.2Very low58Low29 Ų2971.2 Ų71.218%0.17838%0.381CS..  trans-117.4122.8-179.965.50000111.2F54 Y91 L96F54-T94 HydrophobicContact CD2-CG2 3.69Å; F54-T94 HydrophobicContact CE2-CG2 3.65Å; Y91-T94 WeakPolarHBondContact CB-OG1 3.49Å; Y91-T94 HydrophobicContact CD2-CG2 4.5Å; Y91-T94 PolarHBondContact N-OG1 3.43Å; Y91-T94 PolarHBondContact O-N 3.27Å; Y91-T94 PolarHBondContact O-OG1 2.69Å; T94-L96 VanDerWaalsContact C-N 3.25Å
95T41Very low59.1Low108 Ų10870.1 Ų70.166%0.66337%0.369SS*.  trans-92.115.3171.645.90000112.2
96L51.6Low60.4Low11 Ų1170.6 Ų70.66%0.05837%0.369CS..  trans-112.6110.7176.5-72.4174.8000109.2F54 T94 C98 P116 I118 R128 Q131 V132F54-L96 HydrophobicContact CE2-CB 4.18Å; F54-L96 HydrophobicContact CE2-CD1 4.09Å; F54-L96 HydrophobicContact CZ-CB 4.33Å; F54-L96 HydrophobicContact CZ-CD1 4.29Å; T94-L96 VanDerWaalsContact C-N 3.25Å; L96-C98 PolarHBondContact O-N 3.19Å; L96-P116 HydrophobicContact CD2-CG 4Å; L96-I118 HydrophobicContact CD2-CD1 3.8Å; L96-R128 HydrophobicContact CD2-CB 4.43Å; L96-Q131 HydrophobicContact CD1-CB 3.45Å; L96-Q131 VanDerWaalsContact CD1-CB 3.45Å; L96-Q131 HydrophobicContact CD1-CG 4.37Å; L96-V132 HydrophobicContact CD1-CG2 3.79Å; L96-V132 HydrophobicContact CD2-CG2 4.44Å
97T54.8Low61.9Low92 Ų9270.4 Ų70.456%0.56438%0.378SS*.  trans-70.581.616547.60000108.7
98C64Low63.7Low6 Ų662 Ų624%0.04134%0.338CS..  trans-74.8128.5156.6-65.50000106.2L96 P100L96-C98 PolarHBondContact O-N 3.19Å; C98-P100 WeakPolarHBondContact O-CD 3.38Å
99I67.3Low65.8Low53 Ų5362.1 Ų62.127%0.27234%0.335SS..EExtended strand (participates in β ladder)trans-97.1101.4174.8-57.8176.1000106.3L78 G101 D114L78-I99 HydrophobicContact CD1-CB 4.4Å; L78-I99 HydrophobicContact CD1-CG2 4.35Å; L78-I99 HydrophobicContact CD2-CG2 4.25Å; I99-G101 PolarHBondContact O-N 2.88Å; I99-D114 PolarHBondContact O-N 3.47Å
100P79.6Confident68.3Low10 Ų1061.2 Ų61.27%0.06533%0.327CS..EExtended strand (participates in β ladder)trans-74.2123.1171.427.5-30000109.6S86 C98 L113S86-P100 PolarHBondContact N-O 2.7Å; C98-P100 WeakPolarHBondContact O-CD 3.38Å; P100-L113 HydrophobicContact CB-CD2 3.89Å
101G86Confident71Confident0 Ų057 Ų570%030%0.297CS..EExtended strand (participates in β ladder)trans-110.6149.9165.400000110.7I99 L112I99-G101 PolarHBondContact O-N 2.88Å; G101-L112 PolarHBondContact N-O 2.85Å; G101-L112 PolarHBondContact O-N 3.08Å
102V90.4Very high73.4Confident33 Ų3351.9 Ų51.920%0.228%0.277CS..EExtended strand (participates in β ladder)trans-107.6124.3173.1-1760000108.8T82 S83 T84 N109T82-V102 VanDerWaalsContact CA-O 3.26Å; T82-V102 WeakPolarHBondContact CA-O 3.45Å; T82-V102 WeakPolarHBondContact CB-O 3.42Å; S83-V102 PolarHBondContact N-O 3.41Å; S83-V102 VanDerWaalsContact N-O 3.1Å; S83-V102 PolarHBondContact OG-O 2.94Å; T84-V102 PolarHBondContact O-N 3.41Å; V102-N109 HydrophobicContact CG1-CB 4.15Å
103I91.6Very high76.1Confident2 Ų243.4 Ų43.41%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-99.4121.9170.8-58.9173.9000107.1L81 T82 I110 L112 L279 L282L81-I103 HydrophobicContact CB-CD1 3.95Å; L81-I103 HydrophobicContact CB-CG1 4.11Å; L81-I103 HydrophobicContact CD1-CD1 4.18Å; T82-I103 HydrophobicContact CG2-CG1 4.07Å; I103-I110 HydrophobicContact CB-CB 4.23Å; I103-I110 PolarHBondContact N-O 3.49Å; I103-I110 PolarHBondContact O-N 3.33Å; I103-L112 HydrophobicContact CD1-CB 4.09Å; I103-L112 HydrophobicContact CD1-CD2 4.06Å; I103-L112 HydrophobicContact CG1-CB 4.36Å; I103-L279 HydrophobicContact CD1-CD2 4.47Å; I103-L279 HydrophobicContact CG2-CD2 3.6Å; I103-L282 HydrophobicContact CD1-CD2 4.23Å
104E90.8Very high78.4Confident121 Ų12137 Ų3757%0.56521%0.21SC*.EExtended strand (participates in β ladder)trans-95.5113.7171.3-74.5165.8-129.700108.9S83 A108 N109S83-E104 PolarHBondContact OG-OE1 3.49Å; E104-A108 WeakPolarHBondContact CA-O 3.12Å; E104-N109 WeakPolarHBondContact CG-OD1 3.48Å
105Y90.8Very high80.2Confident50 Ų5035.8 Ų35.820%0.19620%0.202CC..EExtended strand (participates in β ladder)trans-144.7125.5-179.8-168.9-102.3000111.2G107 A108 L279 W283Y105-G107 PolarHBondContact O-N 3.31Å; Y105-A108 PolarHBondContact N-O 3.08Å; Y105-A108 WeakPolarHBondContact O-CB 3.38Å; Y105-A108 PolarHBondContact O-N 3.3Å; Y105-L279 HydrophobicContact CD2-CB 3.83Å; Y105-L279 HydrophobicContact CD2-CD1 4.02Å; Y105-L279 HydrophobicContact CD2-CG 4.38Å; Y105-L279 HydrophobicContact CE2-CB 3.64Å; Y105-L279 HydrophobicContact CE2-CD1 4.25Å; Y105-L279 HydrophobicContact CG-CB 4.39Å; Y105-W283 HydrophobicContact CD1-CB 3.96Å; Y105-W283 HydrophobicContact CD1-CD2 4.24Å; Y105-W283 AromaticContact CD1-CE3 3.86Å; Y105-W283 HydrophobicContact CD1-CE3 3.86Å; Y105-W283 HydrophobicContact CD1-CG 4.3Å; Y105-W283 HydrophobicContact CE1-CB 3.74Å; Y105-W283 HydrophobicContact CE1-CD2 4.43Å; Y105-W283 HydrophobicContact CE1-CE3 4.49Å; Y105-W283 HydrophobicContact CE1-CG 4.12Å; Y105-W283 WeakPolarHBondContact O-CZ3 3.46Å
106K87.1Confident81.5Confident105 Ų10532.2 Ų32.246%0.45718%0.181SC..THydrogen-bonded Turntrans49.739.9-177.9-65.1-179.9178.5176.30113.5A108 W283K106-A108 PolarHBondContact O-N 2.98Å; K106-W283 HydrophobicContact CB-CE3 4.29Å; K106-W283 HydrophobicContact CB-CH2 4.01Å; K106-W283 HydrophobicContact CB-CZ2 4.34Å; K106-W283 HydrophobicContact CB-CZ3 3.97Å; K106-W283 HydrophobicContact CD-CD2 4.09Å; K106-W283 HydrophobicContact CD-CG 4.32Å; K106-W283 HydrophobicContact CD-CZ2 4.45Å
107G84Confident81.9Confident61 Ų6133.6 Ų33.663%0.62920%0.198SC*.THydrogen-bonded Turntrans78-3.2-178.800000115.2Y105Y105-G107 PolarHBondContact O-N 3.31Å
108A88.2Confident81.9Confident0 Ų031.7 Ų31.70%018%0.184CC..EExtended strand (participates in β ladder)trans-91.1144.4172.600000112.1D61 E104 Y105 K106 I110 W283 L288 V307D61-A108 HydrophobicContact CB-CB 4.32Å; D61-A108 VanDerWaalsContact OD2-CA 3.28Å; D61-A108 WeakPolarHBondContact OD2-CA 3.18Å; E104-A108 WeakPolarHBondContact CA-O 3.12Å; Y105-A108 PolarHBondContact N-O 3.08Å; Y105-A108 WeakPolarHBondContact O-CB 3.38Å; Y105-A108 PolarHBondContact O-N 3.3Å; K106-A108 PolarHBondContact O-N 2.98Å; A108-I110 HydrophobicContact CB-CG1 4.38Å; A108-W283 HydrophobicContact CB-CH2 4.17Å; A108-W283 HydrophobicContact CB-CZ3 3.53Å; A108-L288 HydrophobicContact CB-CD1 4.37Å; A108-V307 HydrophobicContact CB-CB 4.13Å; A108-V307 HydrophobicContact CB-CG1 3.84Å; A108-V307 HydrophobicContact CB-CG2 3.9Å
109N90Very high81.5Confident72 Ų7232 Ų3239%0.38519%0.185SC..EExtended strand (participates in β ladder)trans-96.2107167.4-68.1-54.8000109.2G60 D61 V102 E104G60-N109 CarbonylContact C-O 3.54Å; G60-N109 VanDerWaalsContact CA-O 3.24Å; G60-N109 WeakPolarHBondContact CA-O 3.48Å; D61-N109 PolarHBondContact N-O 2.98Å; D61-N109 PolarHBondContact OD2-N 2.99Å; V102-N109 HydrophobicContact CG1-CB 4.15Å; E104-N109 WeakPolarHBondContact CG-OD1 3.48Å
110I91.6Very high80.8Confident1 Ų135.3 Ų35.31%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-101.1116.5178.9-57.4165.1000108.6A62 V64 I103 A108 L112 L286A62-I110 HydrophobicContact CB-CG1 4.45Å; A62-I110 HydrophobicContact CB-CG2 4.4Å; V64-I110 HydrophobicContact CB-CG2 4.38Å; V64-I110 HydrophobicContact CG2-CG2 3.52Å; I103-I110 HydrophobicContact CB-CB 4.23Å; I103-I110 PolarHBondContact N-O 3.49Å; I103-I110 PolarHBondContact O-N 3.33Å; A108-I110 HydrophobicContact CB-CG1 4.38Å; I110-L112 PolarHBondContact O-N 3.09Å; I110-L286 HydrophobicContact CD1-CD1 3.66Å; I110-L286 HydrophobicContact CG1-CD1 4.03Å; I110-L286 HydrophobicContact CG2-CD1 3.98Å
111Q90.6Very high79.6Confident6 Ų635.6 Ų35.63%0.02820%0.204CC..EExtended strand (participates in β ladder)trans-76.1111175.2-178-178.15500109.6M57 S59 A62 R63 V64 L113M57-Q111 PolarHBondContact O-NE2 3.06Å; M57-Q111 VanDerWaalsContact O-NE2 3.15Å; S59-Q111 WeakPolarHBondContact O-CB 3.39Å; S59-Q111 PolarHBondContact OG-NE2 2.9Å; A62-Q111 PolarHBondContact O-N 3.43Å; R63-Q111 CarbonylContact C-O 3.45Å; R63-Q111 WeakPolarHBondContact CA-O 3.33Å; V64-Q111 PolarHBondContact N-O 3.24Å; Q111-L113 HydrophobicContact CG-CD2 3.76Å; Q111-L113 HydrophobicContact CG-CG 4.09Å
112L91.3Very high77.9Confident0 Ų035.8 Ų35.80%021%0.206CC..EExtended strand (participates in β ladder)trans-94.8119.6172.8-175.565.8000109.8V64 L66 L78 T82 G101 I103 I110 L143V64-L112 HydrophobicContact CB-CD1 3.96Å; V64-L112 HydrophobicContact CG1-CD1 3.68Å; L66-L112 HydrophobicContact CB-CD1 4.03Å; L78-L112 HydrophobicContact CB-CD2 4.29Å; L78-L112 HydrophobicContact CG-CD2 4.06Å; T82-L112 HydrophobicContact CG2-CD2 4.4Å; G101-L112 PolarHBondContact N-O 2.85Å; G101-L112 PolarHBondContact O-N 3.08Å; I103-L112 HydrophobicContact CD1-CB 4.09Å; I103-L112 HydrophobicContact CD1-CD2 4.06Å; I103-L112 HydrophobicContact CG1-CB 4.36Å; I110-L112 PolarHBondContact O-N 3.09Å; L112-L143 HydrophobicContact CD1-CD2 4.38Å
113L88.3Confident76Confident0 Ų036.1 Ų36.10%021%0.21CC..EExtended strand (participates in β ladder)trans-109113.6179.7-59.8179.8000110.1V56 R63 V64 L66 P100 Q111 L115 V135V56-L113 HydrophobicContact CG1-CD1 4.32Å; V56-L113 HydrophobicContact CG1-CD2 3.98Å; R63-L113 HydrophobicContact CG-CD1 3.78Å; R63-L113 HydrophobicContact CG-CG 4.37Å; V64-L113 PolarHBondContact O-N 2.93Å; L66-L113 PolarHBondContact N-O 3.36Å; P100-L113 HydrophobicContact CB-CD2 3.89Å; Q111-L113 HydrophobicContact CG-CD2 3.76Å; Q111-L113 HydrophobicContact CG-CG 4.09Å; L113-L115 PolarHBondContact O-N 2.91Å; L113-V135 HydrophobicContact CD1-CG1 3.45Å; L113-V135 VanDerWaalsContact CD1-CG1 3.45Å
114D85.6Confident74.3Confident17 Ų1740.8 Ų40.89%0.09123%0.231CC..EExtended strand (participates in β ladder)trans-73.2112.9169.3-166.614.2000110K74 L78 I99K74-D114 WeakPolarHBondContact CE-OD1 3.32Å; L78-D114 HydrophobicContact CD1-CB 3.7Å; I99-D114 PolarHBondContact O-N 3.47Å
115L78.6Confident72.6Confident3 Ų336 Ų362%0.01621%0.214CC..  trans-90.1116.4174.7-64.7-173000108.5L66 I67 L113 G117 V132 V135 A136L66-L115 WeakPolarHBondContact O-CB 3.45Å; L66-L115 PolarHBondContact O-N 3.45Å; I67-L115 HydrophobicContact CD1-CD1 4.08Å; I67-L115 HydrophobicContact CG1-CB 4.36Å; I67-L115 HydrophobicContact CG1-CD1 3.98Å; L113-L115 PolarHBondContact O-N 2.91Å; L115-G117 PolarHBondContact O-N 2.94Å; L115-V132 HydrophobicContact CB-CG1 3.87Å; L115-V132 HydrophobicContact CD1-CG1 3.99Å; L115-V132 HydrophobicContact CD2-CG1 4.21Å; L115-V132 HydrophobicContact CG-CG1 4.24Å; L115-V135 HydrophobicContact CD2-CB 3.89Å; L115-V135 HydrophobicContact CD2-CG1 3.72Å; L115-A136 HydrophobicContact CD1-CB 3.74Å
116P68.8Low70.8Confident33 Ų3340.6 Ų40.621%0.21424%0.235CC..  trans-58.8145.3177.423.5-31.7000109.8L96 I118 V132L96-P116 HydrophobicContact CD2-CG 4Å; P116-I118 HydrophobicContact CB-CD1 4.49Å; P116-I118 HydrophobicContact CB-CG1 4.28Å; P116-I118 HydrophobicContact CG-CD1 4.36Å; P116-I118 HydrophobicContact CG-CG1 4.48Å; P116-I118 PolarHBondContact O-N 2.68Å; P116-V132 HydrophobicContact CG-CG2 4.27Å
117G59.7Low69.2Low41 Ų4137.8 Ų37.842%0.42324%0.236SC..SBendtrans-67.635.1-169.800000116.5L115 I119L115-G117 PolarHBondContact O-N 2.94Å; G117-I119 PolarHBondContact O-N 2.79Å; G117-I119 VanDerWaalsContact O-N 3.13Å
118I55.4Low68Low52 Ų5242.1 Ų42.127%0.26723%0.233SC..THydrogen-bonded Turntrans-82.424.7-179.3-40.9-179000111L96 P116 A122 R128L96-I118 HydrophobicContact CD2-CD1 3.8Å; P116-I118 HydrophobicContact CB-CD1 4.49Å; P116-I118 HydrophobicContact CB-CG1 4.28Å; P116-I118 HydrophobicContact CG-CD1 4.36Å; P116-I118 HydrophobicContact CG-CG1 4.48Å; P116-I118 PolarHBondContact O-N 2.68Å; I118-A122 VanDerWaalsContact O-CB 3.24Å; I118-A122 WeakPolarHBondContact O-CB 3.37Å; I118-A122 PolarHBondContact O-N 3.16Å; I118-R128 HydrophobicContact CD1-CB 4.18Å
119I55.6Low66.9Low12 Ų1242.1 Ų42.16%0.06223%0.233CC..Hα-helixtrans-77.7-34.4-178.7-43.4-176.4000110.6I67 G117 G121 A122 L158 E161 L162I67-I119 HydrophobicContact CB-CD1 4.5Å; I67-I119 HydrophobicContact CD1-CD1 4.14Å; I67-I119 HydrophobicContact CG1-CD1 4.44Å; I67-I119 HydrophobicContact CG2-CD1 3.38Å; G117-I119 PolarHBondContact O-N 2.79Å; G117-I119 VanDerWaalsContact O-N 3.13Å; I119-G121 PolarHBondContact O-N 2.97Å; I119-A122 PolarHBondContact O-N 2.8Å; I119-A122 VanDerWaalsContact O-N 3.13Å; I119-L158 HydrophobicContact CD1-CD2 4.42Å; I119-E161 HydrophobicContact CB-CB 4.37Å; I119-E161 WeakPolarHBondContact CB-OE2 3.38Å; I119-E161 HydrophobicContact CG2-CB 3.36Å; I119-E161 HydrophobicContact CG2-CG 4.09Å; I119-E161 WeakPolarHBondContact CG2-OE2 3.49Å; I119-L162 HydrophobicContact CD1-CD2 4.49Å
120E52.8Low65.6Low122 Ų12240.5 Ų40.557%0.5722%0.222SC*.Hα-helixtrans-56.6-24.8173.9-71.8-175.7164.100113.8F69 E161F69-E120 HydrophobicContact CE1-CG 4.31Å; F69-E120 VanDerWaalsContact CE1-OE1 3.28Å; F69-E120 WeakPolarHBondContact CE1-OE1 3.48Å; E120-E161 WeakPolarHBondContact CA-OE1 3.42Å; E120-E161 WeakPolarHBondContact CG-OE1 3.42Å; E120-E161 PolarHBondContact N-OE1 3.08Å
121G53.5Low64.4Low16 Ų1643 Ų4317%0.16523%0.233CC..Hα-helixtrans-113.6-5.9179.400000115.3I119 Q124I119-G121 PolarHBondContact O-N 2.97Å; G121-Q124 WeakPolarHBondContact O-CB 3.48Å; G121-Q124 PolarHBondContact O-N 3.2Å
122A51.7Low63.4Low5 Ų542.9 Ų42.94%0.04123%0.233CC..Hα-helixtrans-72.5-36.8-176.800000112.2I118 I119 Q124 G125 G129 I133I118-A122 VanDerWaalsContact O-CB 3.24Å; I118-A122 WeakPolarHBondContact O-CB 3.37Å; I118-A122 PolarHBondContact O-N 3.16Å; I119-A122 PolarHBondContact O-N 2.8Å; I119-A122 VanDerWaalsContact O-N 3.13Å; A122-Q124 PolarHBondContact O-N 3.32Å; A122-G125 PolarHBondContact O-N 3.4Å; A122-G125 VanDerWaalsContact O-N 3.15Å; A122-G129 VanDerWaalsContact CB-CA 3.4Å; A122-I133 HydrophobicContact CB-CD1 3.81Å; A122-I133 HydrophobicContact CB-CG1 4.34Å
123S51.1Low62.6Low40 Ų4043.3 Ų43.328%0.2824%0.235SC..THydrogen-bonded Turntrans-62.2-32173.158.70000112G125S123-G125 PolarHBondContact O-N 3.5Å; S123-G125 VanDerWaalsContact O-N 3.15Å
124Q55.8Low62.1Low100 Ų10045.3 Ų45.347%0.46725%0.252SS..THydrogen-bonded Turntrans-74.56.9176.5-65.5-82.3-15.900113.2L4 G121 A122 K126L4-Q124 WeakPolarHBondContact CD1-O 3.32Å; L4-Q124 VanDerWaalsContact CD2-O 3.22Å; L4-Q124 WeakPolarHBondContact CD2-O 3.46Å; G121-Q124 WeakPolarHBondContact O-CB 3.48Å; G121-Q124 PolarHBondContact O-N 3.2Å; A122-Q124 PolarHBondContact O-N 3.32Å; Q124-K126 PolarHBondContact O-N 2.97Å; Q124-K126 VanDerWaalsContact O-N 3.14Å
125G53.4Low61.8Low19 Ų1944.7 Ų44.720%0.19625%0.249CC..THydrogen-bonded Turntrans68.513174.900000114.9A122 S123 G127A122-G125 PolarHBondContact O-N 3.4Å; A122-G125 VanDerWaalsContact O-N 3.15Å; S123-G125 PolarHBondContact O-N 3.5Å; S123-G125 VanDerWaalsContact O-N 3.15Å; G125-G127 PolarHBondContact O-N 3.21Å
126K54.6Low62Low147 Ų14744.7 Ų44.764%0.63925%0.249SC*.  trans-63.3121.9170.5-67.5-172.6178.9178.30108Q124 R128 G129Q124-K126 PolarHBondContact O-N 2.97Å; Q124-K126 VanDerWaalsContact O-N 3.14Å; K126-R128 PolarHBondContact O-N 3.35Å; K126-G129 PolarHBondContact O-N 3.15Å
127G53.2Low62.7Low46 Ų4647.3 Ų47.347%0.47425%0.254SS..Hα-helixtrans-51.7-24.3-162.200000116.7G125G125-G127 PolarHBondContact O-N 3.21Å
128R59Low63.9Low152 Ų15248.3 Ų48.357%0.57425%0.252SS*.Hα-helixtrans-74.4-28.6178.3-62.2-178.2-178.9171.30.2113.8L96 I118 K126 R130L96-R128 HydrophobicContact CD2-CB 4.43Å; I118-R128 HydrophobicContact CD1-CB 4.18Å; K126-R128 PolarHBondContact O-N 3.35Å; R128-R130 VanDerWaalsContact C-N 3.34Å; R128-R130 PolarHBondContact O-N 3.38Å
129G63.9Low65.5Low0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-69.5-29-176.300000114.2A122 K126 V132 I133A122-G129 VanDerWaalsContact CB-CA 3.4Å; K126-G129 PolarHBondContact O-N 3.15Å; G129-V132 PolarHBondContact O-N 3.05Å; G129-I133 WeakPolarHBondContact O-CD1 3.37Å; G129-I133 VanDerWaalsContact O-CG1 3.23Å; G129-I133 WeakPolarHBondContact O-CG1 2.99Å; G129-I133 PolarHBondContact O-N 2.79Å
130R63.5Low67.1Low38 Ų3846.9 Ų46.914%0.14325%0.246CC..Hα-helixtrans-69.2-35.8-179.7-71.6178.8-175.7172.74.4113.3L41 R128 I133 A134L41-R130 PolarHBondContact O-NE 3.38Å; L41-R130 PolarHBondContact O-NH1 3.09Å; L41-R130 PolarHBondContact O-NH2 3.19Å; R128-R130 VanDerWaalsContact C-N 3.34Å; R128-R130 PolarHBondContact O-N 3.38Å; R130-I133 PolarHBondContact O-N 3.36Å; R130-A134 WeakPolarHBondContact O-CB 3.29Å; R130-A134 PolarHBondContact O-N 2.99Å
131Q65.9Low69.1Low54 Ų5441 Ų4125%0.25222%0.219SC..Hα-helixtrans-62.4-46.5175.1-71175.3-24.100110.1F54 L96 I133 A134 V135F54-Q131 HydrophobicContact CB-CG 4.25Å; F54-Q131 HydrophobicContact CD1-CB 4.38Å; F54-Q131 HydrophobicContact CD2-CB 3.71Å; F54-Q131 HydrophobicContact CD2-CG 3.64Å; F54-Q131 HydrophobicContact CE2-CB 3.91Å; F54-Q131 HydrophobicContact CE2-CG 4.22Å; F54-Q131 HydrophobicContact CG-CB 3.95Å; F54-Q131 HydrophobicContact CG-CG 4.02Å; F54-Q131 HydrophobicContact CZ-CB 4.38Å; L96-Q131 HydrophobicContact CD1-CB 3.45Å; L96-Q131 VanDerWaalsContact CD1-CB 3.45Å; L96-Q131 HydrophobicContact CD1-CG 4.37Å; Q131-I133 VanDerWaalsContact C-N 3.32Å; Q131-I133 PolarHBondContact O-N 3.48Å; Q131-A134 WeakPolarHBondContact O-CB 3.45Å; Q131-A134 PolarHBondContact O-N 3.48Å; Q131-A134 VanDerWaalsContact O-N 3.13Å; Q131-V135 WeakPolarHBondContact O-CG2 3.36Å; Q131-V135 PolarHBondContact O-N 3.32Å
132V70.3Confident71Confident4 Ų440.3 Ų40.32%0.02421%0.211CC..Hα-helixtrans-57.8-44.3174.8-179.80000111.6L96 L115 P116 G129 V135 A136L96-V132 HydrophobicContact CD1-CG2 3.79Å; L96-V132 HydrophobicContact CD2-CG2 4.44Å; L115-V132 HydrophobicContact CB-CG1 3.87Å; L115-V132 HydrophobicContact CD1-CG1 3.99Å; L115-V132 HydrophobicContact CD2-CG1 4.21Å; L115-V132 HydrophobicContact CG-CG1 4.24Å; P116-V132 HydrophobicContact CG-CG2 4.27Å; G129-V132 PolarHBondContact O-N 3.05Å; V132-V135 PolarHBondContact O-N 3.3Å; V132-A136 WeakPolarHBondContact O-CB 3.49Å; V132-A136 PolarHBondContact O-N 3.01Å
133I75Confident73.1Confident9 Ų940 Ų405%0.04621%0.209CC..Hα-helixtrans-62.6-43.2176.3-65.7160.2000111.3L42 A122 G129 R130 Q131 V135 A136 R137 V165L42-I133 HydrophobicContact CD2-CD1 4.49Å; L42-I133 HydrophobicContact CD2-CG2 4.33Å; A122-I133 HydrophobicContact CB-CD1 3.81Å; A122-I133 HydrophobicContact CB-CG1 4.34Å; G129-I133 WeakPolarHBondContact O-CD1 3.37Å; G129-I133 VanDerWaalsContact O-CG1 3.23Å; G129-I133 WeakPolarHBondContact O-CG1 2.99Å; G129-I133 PolarHBondContact O-N 2.79Å; R130-I133 PolarHBondContact O-N 3.36Å; Q131-I133 VanDerWaalsContact C-N 3.32Å; Q131-I133 PolarHBondContact O-N 3.48Å; I133-V135 VanDerWaalsContact C-N 3.31Å; I133-V135 PolarHBondContact O-N 3Å; I133-A136 PolarHBondContact O-N 3.27Å; I133-R137 HydrophobicContact CG2-CG 4.25Å; I133-R137 WeakPolarHBondContact O-CB 3.46Å; I133-R137 VanDerWaalsContact O-CG 3.28Å; I133-R137 WeakPolarHBondContact O-CG 3.31Å; I133-R137 PolarHBondContact O-N 3.33Å; I133-V165 HydrophobicContact CD1-CB 3.76Å; I133-V165 HydrophobicContact CD1-CG1 3.24Å; I133-V165 HydrophobicContact CG1-CB 3.87Å; I133-V165 HydrophobicContact CG1-CG1 3.68Å; I133-V165 HydrophobicContact CG1-CG2 4.1Å; I133-V165 HydrophobicContact CG2-CB 3.81Å; I133-V165 HydrophobicContact CG2-CG2 4.04Å
134A77.1Confident75.1Confident42 Ų4238.1 Ų38.135%0.34720%0.196SC..Hα-helixtrans-59.7-44.2179.100000110.7R130 Q131 R137 T138R130-A134 WeakPolarHBondContact O-CB 3.29Å; R130-A134 PolarHBondContact O-N 2.99Å; Q131-A134 WeakPolarHBondContact O-CB 3.45Å; Q131-A134 PolarHBondContact O-N 3.48Å; Q131-A134 VanDerWaalsContact O-N 3.13Å; A134-R137 PolarHBondContact O-N 3.24Å; A134-T138 WeakPolarHBondContact O-CG2 3.35Å; A134-T138 PolarHBondContact O-N 3.04Å
135V79.4Confident76.9Confident4 Ų433.4 Ų33.42%0.02417%0.173CC..Hα-helixtrans-61.1-51173.9-175.90000111.4F54 L113 L115 Q131 V132 I133 R137 T138 A139F54-V135 HydrophobicContact CD1-CG2 3.48Å; F54-V135 VanDerWaalsContact CD1-CG2 3.48Å; F54-V135 HydrophobicContact CE1-CG2 3.05Å; F54-V135 HydrophobicContact CZ-CG2 4.12Å; L113-V135 HydrophobicContact CD1-CG1 3.45Å; L113-V135 VanDerWaalsContact CD1-CG1 3.45Å; L115-V135 HydrophobicContact CD2-CB 3.89Å; L115-V135 HydrophobicContact CD2-CG1 3.72Å; Q131-V135 WeakPolarHBondContact O-CG2 3.36Å; Q131-V135 PolarHBondContact O-N 3.32Å; V132-V135 PolarHBondContact O-N 3.3Å; I133-V135 VanDerWaalsContact C-N 3.31Å; I133-V135 PolarHBondContact O-N 3Å; V135-R137 PolarHBondContact O-N 2.87Å; V135-T138 PolarHBondContact O-N 3.06Å; V135-T138 PolarHBondContact O-OG1 3.34Å; V135-A139 PolarHBondContact O-N 2.58Å
136A83.5Confident78.8Confident2 Ų232.5 Ų32.52%0.01716%0.164CC..Hα-helixtrans-56.8-37.1-179.200000111.9L115 V132 I133 T138 A139 I167 L238L115-A136 HydrophobicContact CD1-CB 3.74Å; V132-A136 WeakPolarHBondContact O-CB 3.49Å; V132-A136 PolarHBondContact O-N 3.01Å; I133-A136 PolarHBondContact O-N 3.27Å; A136-T138 VanDerWaalsContact C-N 3.26Å; A136-T138 PolarHBondContact O-N 3.4Å; A136-A139 WeakPolarHBondContact O-CB 3.49Å; A136-A139 PolarHBondContact O-N 2.92Å; A136-I167 HydrophobicContact CB-CD1 3.71Å; A136-L238 VanDerWaalsContact O-CD1 3.28Å; A136-L238 WeakPolarHBondContact O-CD1 3.34Å
137R83.6Confident80.7Confident88 Ų8826.2 Ų26.233%0.33214%0.138SC..Hα-helixtrans-68.8-20.3177.1-74.9179.368.2174.63.4114.4I133 A134 V135 I167 G234 V236I133-R137 HydrophobicContact CG2-CG 4.25Å; I133-R137 WeakPolarHBondContact O-CB 3.46Å; I133-R137 VanDerWaalsContact O-CG 3.28Å; I133-R137 WeakPolarHBondContact O-CG 3.31Å; I133-R137 PolarHBondContact O-N 3.33Å; A134-R137 PolarHBondContact O-N 3.24Å; V135-R137 PolarHBondContact O-N 2.87Å; R137-I167 HydrophobicContact CG-CD1 4.05Å; R137-I167 HydrophobicContact CG-CG1 3.96Å; R137-G234 PolarHBondContact NH2-O 3.27Å; R137-V236 HydrophobicContact CB-CG2 4.06Å; R137-V236 HydrophobicContact CG-CG2 3.94Å
138T83.8Confident82.6Confident62 Ų6224 Ų2438%0.3812%0.115SC..Hα-helixtrans-94.2-6.2176.465.10000113.3R63 A134 V135 A136R63-T138 PolarHBondContact NH1-OG1 2.89Å; A134-T138 WeakPolarHBondContact O-CG2 3.35Å; A134-T138 PolarHBondContact O-N 3.04Å; V135-T138 PolarHBondContact O-N 3.06Å; V135-T138 PolarHBondContact O-OG1 3.34Å; A136-T138 VanDerWaalsContact C-N 3.26Å; A136-T138 PolarHBondContact O-N 3.4Å
139A88.5Confident84.3Confident4 Ų419.6 Ų19.63%0.03311%0.105CC..  trans-71.4155.3176.400000111.3R63 S65 V135 A136 L238R63-A139 HydrophobicContact CG-CB 4.25Å; S65-A139 WeakPolarHBondContact OG-CB 3.28Å; V135-A139 PolarHBondContact O-N 2.58Å; A136-A139 WeakPolarHBondContact O-CB 3.49Å; A136-A139 PolarHBondContact O-N 2.92Å; A139-L238 WeakPolarHBondContact O-CD2 3.34Å
140D90.2Very high85.5Confident30 Ų3025.6 Ų25.616%0.1613%0.131CC..SBendtrans-90.3-28.9175-58.5-40000111.3A62 R63 L286 R309A62-D140 WeakPolarHBondContact CA-OD2 3.44Å; R63-D140 PolarHBondContact N-OD2 2.73Å; R63-D140 WeakPolarHBondContact O-CB 3.36Å; R63-D140 PolarHBondContact O-N 3.15Å; D140-L286 HydrophobicContact CB-CD2 3.94Å; D140-R309 VanDerWaalsContact CG-CZ 3.4Å; D140-R309 IonicContact OD1-CZ 2.55Å; D140-R309 IonicContact OD1-NH1 3.57Å; D140-R309 PolarHBondContact OD1-NH1 3.34Å; D140-R309 IonicContact OD1-NH2 2.7Å; D140-R309 PolarHBondContact OD1-NH2 3.35Å; D140-R309 IonicContact OD2-CZ 2.68Å; D140-R309 IonicContact OD2-NH2 2.91Å; D140-R309 PolarHBondContact OD2-NH2 2.81Å
141L93.8Very high86.4Confident0 Ų024.2 Ų24.20%013%0.127CC..EExtended strand (participates in β ladder)trans-147.4143.7178.7-178.8150.8000110.5R63 V64 S65 L143 A239 L241 L282 H285 L286R63-L141 PolarHBondContact O-N 2.63Å; V64-L141 WeakPolarHBondContact CA-O 3.4Å; V64-L141 HydrophobicContact CG1-CD2 3.85Å; V64-L141 HydrophobicContact CG2-CB 4.45Å; V64-L141 HydrophobicContact CG2-CD2 4.48Å; S65-L141 PolarHBondContact N-O 2.96Å; L141-L143 HydrophobicContact CD2-CB 4.3Å; L141-A239 WeakPolarHBondContact CA-O 3.42Å; L141-A239 HydrophobicContact CD1-CB 4.34Å; L141-A239 HydrophobicContact CG-CB 4.43Å; L141-L241 HydrophobicContact CD2-CB 4.31Å; L141-L282 HydrophobicContact CD1-CD1 4.14Å; L141-L282 HydrophobicContact CD2-CD1 3.62Å; L141-L282 HydrophobicContact CG-CD1 4.5Å; L141-H285 HydrophobicContact CD1-CB 3.28Å; L141-L286 HydrophobicContact CB-CD2 3.68Å; L141-L286 HydrophobicContact CB-CG 4.45Å; L141-L286 HydrophobicContact CD1-CD2 4.35Å; L141-L286 HydrophobicContact CD1-CG 4.27Å
142V93.9Very high87.3Confident0 Ų026 Ų260%014%0.138CC..EExtended strand (participates in β ladder)trans-99119.4170176.20000109.4S65 I67 L162 L169 L238 A239 C240 L241S65-V142 CarbonylContact O-C 3.59Å; I67-V142 HydrophobicContact CB-CG1 4.34Å; I67-V142 HydrophobicContact CD1-CG1 3.74Å; I67-V142 HydrophobicContact CG1-CG1 4.16Å; V142-L162 HydrophobicContact CG1-CD1 4.35Å; V142-L169 HydrophobicContact CB-CD2 4.22Å; V142-L169 HydrophobicContact CG2-CD2 4.04Å; V142-L238 HydrophobicContact CG2-CB 4.45Å; V142-L238 HydrophobicContact CG2-CD1 3.93Å; V142-A239 PolarHBondContact N-O 2.86Å; V142-C240 HydrophobicContact CB-CB 4.26Å; V142-C240 CarbonylContact O-C 3.55Å; V142-C240 WeakPolarHBondContact O-CA 3.41Å; V142-C240 PolarHBondContact O-SG 3.37Å; V142-L241 PolarHBondContact O-N 3.05Å
143L94.9Very high88.2Confident0 Ų030 Ų300%016%0.163CC..EExtended strand (participates in β ladder)trans-93.7102.7171.4-165.364.4000108.1V64 S65 L66 I67 L77 L112 L141 L241 V243 L278 L282V64-L143 HydrophobicContact CG1-CB 3.7Å; S65-L143 PolarHBondContact O-N 3.3Å; L66-L143 WeakPolarHBondContact CA-O 3.5Å; L66-L143 HydrophobicContact CD1-CB 4.29Å; L66-L143 HydrophobicContact CD1-CD2 4.12Å; L66-L143 HydrophobicContact CD1-CG 4.23Å; I67-L143 PolarHBondContact N-O 3.49Å; L77-L143 HydrophobicContact CD2-CD2 4.05Å; L112-L143 HydrophobicContact CD1-CD2 4.38Å; L141-L143 HydrophobicContact CD2-CB 4.3Å; L143-L241 HydrophobicContact CD1-CB 3.83Å; L143-L241 HydrophobicContact CD1-CD2 3.84Å; L143-L241 HydrophobicContact CD1-CG 4Å; L143-V243 HydrophobicContact CD1-CG2 3.37Å; L143-V243 HydrophobicContact CG-CG2 3.88Å; L143-L278 HydrophobicContact CD1-CD1 4.27Å; L143-L282 HydrophobicContact CD1-CD1 4.35Å
144M93.8Very high88.7Confident0 Ų031.1 Ų31.10%017%0.168CC..EExtended strand (participates in β ladder)trans-93.8106.6-176.7-174179.2-65.500110.2I67 L146 L158 E159 L162 L169 L241 Y242 V243I67-M144 CarbonylContact O-C 3.57Å; I67-M144 WeakPolarHBondContact O-CA 3.25Å; M144-L146 HydrophobicContact CG-CD2 3.92Å; M144-L146 HydrophobicContact CG-CG 4.17Å; M144-L146 HydrophobicContact SD-CD2 4Å; M144-L158 HydrophobicContact CE-CB 3.73Å; M144-L158 HydrophobicContact CG-CD1 3.84Å; M144-L158 HydrophobicContact SD-CB 3.79Å; M144-L158 HydrophobicContact SD-CD1 3.98Å; M144-E159 HydrophobicContact CE-CG 4.28Å; M144-L162 HydrophobicContact CE-CD1 3.78Å; M144-L169 HydrophobicContact CE-CD1 3.64Å; M144-L241 PolarHBondContact N-O 3.37Å; M144-Y242 HydrophobicContact CB-CD1 4.05Å; M144-Y242 HydrophobicContact CE-CE1 4.19Å; M144-Y242 HydrophobicContact CG-CD1 4.31Å; M144-Y242 HydrophobicContact SD-CD1 3.74Å; M144-Y242 HydrophobicContact SD-CE1 3.72Å; M144-V243 PolarHBondContact O-N 3.39Å
145M93.2Very high89.4Confident0 Ų031.5 Ų31.50%016%0.16CC..EExtended strand (participates in β ladder)trans-86.9121.9178.6-160.6168.6-167.500111.6L66 I67 G68 V72 G73 K74 L77 V243 N245 C269L66-M145 HydrophobicContact CD1-CB 4.06Å; I67-M145 PolarHBondContact O-N 2.66Å; G68-M145 WeakPolarHBondContact CA-O 3.25Å; V72-M145 HydrophobicContact CB-CG 4.48Å; V72-M145 HydrophobicContact CG2-CB 3.96Å; V72-M145 HydrophobicContact CG2-CG 3.81Å; V72-M145 HydrophobicContact CG2-SD 4.16Å; G73-M145 VanDerWaalsContact C-CE 3.44Å; G73-M145 WeakPolarHBondContact O-CE 3.38Å; K74-M145 WeakPolarHBondContact CA-SD 3.06Å; K74-M145 HydrophobicContact CB-SD 4.26Å; K74-M145 HydrophobicContact CG-CB 4.17Å; K74-M145 HydrophobicContact CG-SD 3.94Å; K74-M145 PolarHBondContact N-SD 2.77Å; L77-M145 HydrophobicContact CB-CE 3.86Å; L77-M145 HydrophobicContact CB-SD 4.06Å; L77-M145 HydrophobicContact CD2-CE 4.12Å; L77-M145 HydrophobicContact CD2-SD 3.92Å; M145-V243 WeakPolarHBondContact CA-O 3.45Å; M145-N245 HydrophobicContact CE-CB 3.49Å; M145-N245 VanDerWaalsContact CE-CB 3.49Å; M145-N245 VanDerWaalsContact CE-ND2 3.31Å; M145-N245 WeakPolarHBondContact CE-ND2 3.23Å; M145-N245 HydrophobicContact CG-CB 4.48Å; M145-C269 WeakPolarHBondContact CE-SG 3.36Å
146L94.1Very high89.9Confident0 Ų037.8 Ų37.80%019%0.187CC..EExtended strand (participates in β ladder)trans-120.5155-174.7-59.6175.2000110.2M144 H154 R155 L158 Y242 V243 Y244 N245M144-L146 HydrophobicContact CG-CD2 3.92Å; M144-L146 HydrophobicContact CG-CG 4.17Å; M144-L146 HydrophobicContact SD-CD2 4Å; L146-H154 HydrophobicContact CD2-CB 3.73Å; L146-R155 HydrophobicContact CD1-CB 3.86Å; L146-R155 HydrophobicContact CD1-CG 4.29Å; L146-R155 HydrophobicContact CD2-CB 4.26Å; L146-L158 HydrophobicContact CD2-CD1 3.9Å; L146-Y242 HydrophobicContact CD1-CD1 4.14Å; L146-V243 PolarHBondContact N-O 3.28Å; L146-Y244 HydrophobicContact CB-CD1 3.74Å; L146-Y244 HydrophobicContact CB-CE1 3.98Å; L146-Y244 HydrophobicContact CD1-CD1 3.96Å; L146-Y244 HydrophobicContact CD1-CE1 3.38Å; L146-Y244 HydrophobicContact CG-CE1 4.33Å; L146-N245 PolarHBondContact O-N 2.85Å
147D93.5Very high90Very high15 Ų1541.2 Ų41.28%0.0821%0.205CC..EExtended strand (participates in β ladder)trans-90.9119.2172.2-167.4-43.1000108.1V72 T149 K150 K246V72-D147 HydrophobicContact CG1-CB 4.3Å; D147-T149 VanDerWaalsContact CG-OG1 3.31Å; D147-T149 PolarHBondContact O-N 3.19Å; D147-T149 VanDerWaalsContact O-N 3.13Å; D147-T149 WeakPolarHBondContact OD1-CB 3.48Å; D147-T149 WeakPolarHBondContact OD1-CG2 3.37Å; D147-T149 PolarHBondContact OD1-N 3.31Å; D147-T149 PolarHBondContact OD1-OG1 3.16Å; D147-K150 CarbonylContact O-C 3.47Å; D147-K150 PolarHBondContact O-N 3.31Å; D147-K246 WeakPolarHBondContact OD2-CD 3.47Å; D147-K246 WeakPolarHBondContact OD2-CE 3.45Å; D147-K246 IonicContact OD2-NZ 2.74Å; D147-K246 PolarHBondContact OD2-NZ 3.28Å
148A94.7Very high90.3Very high1 Ų137.2 Ų37.21%0.00819%0.19CC..THydrogen-bonded Turntrans-63.4-17.2-177.600000113K150 P151 N245 I250 L258A148-K150 VanDerWaalsContact C-N 3.34Å; A148-P151 WeakPolarHBondContact O-CD 3.22Å; A148-N245 WeakPolarHBondContact CB-O 3.43Å; A148-N245 PolarHBondContact N-O 3.24Å; A148-I250 HydrophobicContact CB-CD1 3.8Å; A148-I250 HydrophobicContact CB-CG1 4.39Å; A148-I250 HydrophobicContact CB-CG2 4.47Å; A148-L258 HydrophobicContact CB-CD1 3.93Å
149T92.9Very high90.6Very high59 Ų5936.5 Ų36.536%0.36218%0.183SC..THydrogen-bonded Turntrans-77.7-18.7174.767.80000113.2D147 Q249 I250D147-T149 VanDerWaalsContact CG-OG1 3.31Å; D147-T149 PolarHBondContact O-N 3.19Å; D147-T149 VanDerWaalsContact O-N 3.13Å; D147-T149 WeakPolarHBondContact OD1-CB 3.48Å; D147-T149 WeakPolarHBondContact OD1-CG2 3.37Å; D147-T149 PolarHBondContact OD1-N 3.31Å; D147-T149 PolarHBondContact OD1-OG1 3.16Å; T149-Q249 HydrophobicContact CG2-CB 3.84Å; T149-I250 HydrophobicContact CG2-CG2 4.09Å
150K89.7Confident90.5Very high125 Ų12540.3 Ų40.354%0.54320%0.202SC..SBendtrans-140.553.1-178.3-59.8-179.7-172176.30111.9D147 A148 D152 H154D147-K150 CarbonylContact O-C 3.47Å; D147-K150 PolarHBondContact O-N 3.31Å; A148-K150 VanDerWaalsContact C-N 3.34Å; K150-D152 PolarHBondContact O-N 3.46Å; K150-H154 PolarHBondContact O-N 3.42Å
151P82.1Confident90.2Very high9 Ų940.1 Ų40.16%0.05820%0.201CC..Hα-helixtrans-63.7-46.3-16525-33.6000112.7A148 R155 Y244 L258A148-P151 WeakPolarHBondContact O-CD 3.22Å; P151-R155 VanDerWaalsContact O-CB 3.24Å; P151-R155 WeakPolarHBondContact O-CB 3.39Å; P151-R155 PolarHBondContact O-N 3.41Å; P151-R155 VanDerWaalsContact O-N 3.17Å; P151-Y244 HydrophobicContact CB-CD1 3.78Å; P151-Y244 HydrophobicContact CB-CE1 3.34Å; P151-L258 HydrophobicContact CB-CD2 3.75Å; P151-L258 HydrophobicContact CG-CD2 3.99Å
152D86.5Confident89.8Confident91 Ų9140.3 Ų40.349%0.48720%0.202SC..Hα-helixtrans-73.4-35-170.7-59.8-50.8000113K150 K156K150-D152 PolarHBondContact O-N 3.46Å; D152-K156 VanDerWaalsContact O-CB 3.31Å; D152-K156 WeakPolarHBondContact O-CB 3.4Å; D152-K156 PolarHBondContact O-N 3.12Å
153V87.4Confident89.6Confident90 Ų9043.4 Ų43.455%0.54522%0.216SC..Hα-helixtrans-69.2-51.4-179.2-179.10000110R155 L157V153-R155 PolarHBondContact O-N 2.81Å; V153-L157 HydrophobicContact CG1-CD1 4Å; V153-L157 VanDerWaalsContact O-CG 3.32Å; V153-L157 WeakPolarHBondContact O-CG 3.35Å; V153-L157 PolarHBondContact O-N 2.93Å
154H86.3Confident89Confident32 Ų3244 Ų4415%0.14822%0.221CC..Hα-helixtrans-64.9-43.3-177.1-72.6-174.2000111.5F69 L146 K150 L157 L158F69-H154 HydrophobicContact CD2-CB 3.82Å; F69-H154 AromaticContact CD2-CD2 3.77Å; F69-H154 AromaticContact CD2-CG 3.53Å; F69-H154 AromaticContact CD2-ND1 3.81Å; F69-H154 HydrophobicContact CE2-CB 3.78Å; F69-H154 AromaticContact CE2-CD2 3.93Å; F69-H154 AromaticContact CE2-CG 3.84Å; L146-H154 HydrophobicContact CD2-CB 3.73Å; K150-H154 PolarHBondContact O-N 3.42Å; H154-L157 PolarHBondContact O-N 2.6Å; H154-L158 WeakPolarHBondContact O-CG 3.49Å; H154-L158 PolarHBondContact O-N 3.43Å; H154-L158 VanDerWaalsContact O-N 3.13Å
155R90.8Very high88.3Confident49 Ų4944.4 Ų44.419%0.18522%0.223CC..Hα-helixtrans-58.9-52.4179.3-179.1176.5173.9169.23.6111.6L146 P151 V153 L157 L158 E159 Y242L146-R155 HydrophobicContact CD1-CB 3.86Å; L146-R155 HydrophobicContact CD1-CG 4.29Å; L146-R155 HydrophobicContact CD2-CB 4.26Å; P151-R155 VanDerWaalsContact O-CB 3.24Å; P151-R155 WeakPolarHBondContact O-CB 3.39Å; P151-R155 PolarHBondContact O-N 3.41Å; P151-R155 VanDerWaalsContact O-N 3.17Å; V153-R155 PolarHBondContact O-N 2.81Å; R155-L157 VanDerWaalsContact C-N 3.31Å; R155-L157 PolarHBondContact O-N 3.18Å; R155-L158 PolarHBondContact O-N 3.17Å; R155-E159 HydrophobicContact CG-CG 4.25Å; R155-E159 WeakPolarHBondContact CG-OE1 3.42Å; R155-E159 IonicContact CZ-OE1 3.51Å; R155-E159 IonicContact NE-OE1 2.68Å; R155-E159 PolarHBondContact NE-OE1 3.48Å; R155-E159 IonicContact NH2-OE1 3.31Å; R155-E159 WeakPolarHBondContact O-CB 3.37Å; R155-E159 VanDerWaalsContact O-CG 3.31Å; R155-E159 WeakPolarHBondContact O-CG 3.42Å; R155-E159 PolarHBondContact O-N 3.34Å; R155-Y242 HydrophobicContact CG-CD1 4.35Å; R155-Y242 HydrophobicContact CG-CE1 4.08Å; R155-Y242 PolarHBondContact NH2-OH 3.21Å
156K90.4Very high87.9Confident137 Ų13744.6 Ų44.660%0.59623%0.225SC*.Hα-helixtrans-61.5-39.8-176.8-173.9176.8-178179.40112.3D152 N160D152-K156 VanDerWaalsContact O-CB 3.31Å; D152-K156 WeakPolarHBondContact O-CB 3.4Å; D152-K156 PolarHBondContact O-N 3.12Å; K156-N160 WeakPolarHBondContact O-CB 3.34Å; K156-N160 PolarHBondContact O-N 2.82Å; K156-N160 VanDerWaalsContact O-N 3.08Å; K156-N160 PolarHBondContact O-ND2 3.07Å; K156-N160 VanDerWaalsContact O-ND2 3.09Å
157L86.9Confident87.7Confident74 Ų7444.6 Ų44.639%0.38723%0.225SC..Hα-helixtrans-63.7-52.4177.9-70.5171.2000111.1F69 V153 H154 R155 E159 N160 E161F69-L157 HydrophobicContact CE2-CB 4.33Å; F69-L157 HydrophobicContact CE2-CD1 4.49Å; F69-L157 HydrophobicContact CZ-CB 3.85Å; F69-L157 HydrophobicContact CZ-CD1 3.96Å; V153-L157 HydrophobicContact CG1-CD1 4Å; V153-L157 VanDerWaalsContact O-CG 3.32Å; V153-L157 WeakPolarHBondContact O-CG 3.35Å; V153-L157 PolarHBondContact O-N 2.93Å; H154-L157 PolarHBondContact O-N 2.6Å; R155-L157 VanDerWaalsContact C-N 3.31Å; R155-L157 PolarHBondContact O-N 3.18Å; L157-E159 PolarHBondContact O-N 3.36Å; L157-N160 PolarHBondContact O-N 2.83Å; L157-E161 VanDerWaalsContact O-CG 3.28Å; L157-E161 WeakPolarHBondContact O-CG 3.36Å; L157-E161 PolarHBondContact O-N 2.91Å
158L87.9Confident87.7Confident4 Ų445 Ų452%0.02123%0.226CC..Hα-helixtrans-65.2-38.2-178.6-66.4169.6000112.6I67 F69 I119 M144 L146 H154 R155 E161 L162I67-L158 HydrophobicContact CG2-CD2 4Å; F69-L158 HydrophobicContact CD2-CD1 4.17Å; F69-L158 HydrophobicContact CD2-CG 4.35Å; F69-L158 HydrophobicContact CE2-CD1 3.98Å; F69-L158 HydrophobicContact CE2-CD2 4.08Å; F69-L158 HydrophobicContact CE2-CG 3.71Å; F69-L158 HydrophobicContact CZ-CD2 4.12Å; F69-L158 HydrophobicContact CZ-CG 4.11Å; I119-L158 HydrophobicContact CD1-CD2 4.42Å; M144-L158 HydrophobicContact CE-CB 3.73Å; M144-L158 HydrophobicContact CG-CD1 3.84Å; M144-L158 HydrophobicContact SD-CB 3.79Å; M144-L158 HydrophobicContact SD-CD1 3.98Å; L146-L158 HydrophobicContact CD2-CD1 3.9Å; H154-L158 WeakPolarHBondContact O-CG 3.49Å; H154-L158 PolarHBondContact O-N 3.43Å; H154-L158 VanDerWaalsContact O-N 3.13Å; R155-L158 PolarHBondContact O-N 3.17Å; L158-E161 PolarHBondContact O-N 3.28Å; L158-L162 WeakPolarHBondContact O-CB 3.3Å; L158-L162 WeakPolarHBondContact O-CG 3.38Å; L158-L162 PolarHBondContact O-N 3.13Å
159E90.9Very high87.7Confident47 Ų4745.5 Ų45.522%0.2223%0.228CC..Hα-helixtrans-60.5-49.7173.9-76.3178.4171.900111.5M144 R155 L157 E161 L162 E163 L169 Y242M144-E159 HydrophobicContact CE-CG 4.28Å; R155-E159 HydrophobicContact CG-CG 4.25Å; R155-E159 WeakPolarHBondContact CG-OE1 3.42Å; R155-E159 IonicContact CZ-OE1 3.51Å; R155-E159 IonicContact NE-OE1 2.68Å; R155-E159 PolarHBondContact NE-OE1 3.48Å; R155-E159 IonicContact NH2-OE1 3.31Å; R155-E159 WeakPolarHBondContact O-CB 3.37Å; R155-E159 VanDerWaalsContact O-CG 3.31Å; R155-E159 WeakPolarHBondContact O-CG 3.42Å; R155-E159 PolarHBondContact O-N 3.34Å; L157-E159 PolarHBondContact O-N 3.36Å; E159-E161 VanDerWaalsContact C-N 3.26Å; E159-E161 PolarHBondContact O-N 3.46Å; E159-L162 PolarHBondContact O-N 3.22Å; E159-E163 WeakPolarHBondContact O-CB 3.43Å; E159-E163 WeakPolarHBondContact O-CG 3.49Å; E159-E163 PolarHBondContact O-N 2.87Å; E159-L169 HydrophobicContact CG-CD1 4.24Å; E159-Y242 HydrophobicContact CG-CE1 4.43Å; E159-Y242 WeakPolarHBondContact OE1-CE1 3.4Å; E159-Y242 VanDerWaalsContact OE1-CZ 3.23Å; E159-Y242 PolarHBondContact OE1-OH 3.4Å
160N87Confident87.7Confident84 Ų8445.1 Ų45.145%0.44922%0.224SC..Hα-helixtrans-59.9-39.1179.7-73.1-22.4000112.1K156 L157 A164K156-N160 WeakPolarHBondContact O-CB 3.34Å; K156-N160 PolarHBondContact O-N 2.82Å; K156-N160 VanDerWaalsContact O-N 3.08Å; K156-N160 PolarHBondContact O-ND2 3.07Å; K156-N160 VanDerWaalsContact O-ND2 3.09Å; L157-N160 PolarHBondContact O-N 2.83Å; N160-A164 WeakPolarHBondContact O-CB 3.42Å; N160-A164 PolarHBondContact O-N 3.13Å
161E82.6Confident87.9Confident26 Ų2643.8 Ų43.812%0.12122%0.218CC..Hα-helixtrans-70.2-43.5179.5-70.3173.9166.400112.5I119 E120 L157 L158 E159 E163 A164 V165I119-E161 HydrophobicContact CB-CB 4.37Å; I119-E161 WeakPolarHBondContact CB-OE2 3.38Å; I119-E161 HydrophobicContact CG2-CB 3.36Å; I119-E161 HydrophobicContact CG2-CG 4.09Å; I119-E161 WeakPolarHBondContact CG2-OE2 3.49Å; E120-E161 WeakPolarHBondContact CA-OE1 3.42Å; E120-E161 WeakPolarHBondContact CG-OE1 3.42Å; E120-E161 PolarHBondContact N-OE1 3.08Å; L157-E161 VanDerWaalsContact O-CG 3.28Å; L157-E161 WeakPolarHBondContact O-CG 3.36Å; L157-E161 PolarHBondContact O-N 2.91Å; L158-E161 PolarHBondContact O-N 3.28Å; E159-E161 VanDerWaalsContact C-N 3.26Å; E159-E161 PolarHBondContact O-N 3.46Å; E161-E163 VanDerWaalsContact C-N 3.3Å; E161-E163 PolarHBondContact O-N 2.8Å; E161-A164 WeakPolarHBondContact O-CB 3.44Å; E161-A164 PolarHBondContact O-N 3.3Å; E161-V165 PolarHBondContact O-N 3.32Å
162L86.9Confident88.3Confident4 Ų450.7 Ų50.72%0.02125%0.254CS..Hα-helixtrans-64.1-37.8174.5-72.8168.7000111.3I67 I119 V142 M144 L158 E159 A164 V165 G166 I167 L169I67-L162 HydrophobicContact CD1-CD1 3.96Å; I67-L162 HydrophobicContact CD1-CD2 3.76Å; I67-L162 HydrophobicContact CD1-CG 4.43Å; I119-L162 HydrophobicContact CD1-CD2 4.49Å; V142-L162 HydrophobicContact CG1-CD1 4.35Å; M144-L162 HydrophobicContact CE-CD1 3.78Å; L158-L162 WeakPolarHBondContact O-CB 3.3Å; L158-L162 WeakPolarHBondContact O-CG 3.38Å; L158-L162 PolarHBondContact O-N 3.13Å; E159-L162 PolarHBondContact O-N 3.22Å; L162-A164 VanDerWaalsContact C-N 3.34Å; L162-A164 PolarHBondContact O-N 2.99Å; L162-V165 WeakPolarHBondContact O-CG2 3.47Å; L162-V165 PolarHBondContact O-N 3.45Å; L162-G166 PolarHBondContact O-N 2.85Å; L162-I167 CarbonylContact C-O 3.53Å; L162-I167 HydrophobicContact CB-CB 4.36Å; L162-I167 HydrophobicContact CD2-CD1 3.84Å; L162-I167 WeakPolarHBondContact O-CB 3.44Å; L162-I167 PolarHBondContact O-N 3.33Å; L162-L169 HydrophobicContact CB-CD1 4.43Å; L162-L169 HydrophobicContact CD1-CD1 3.75Å; L162-L169 HydrophobicContact CD1-CD2 4.2Å; L162-L169 HydrophobicContact CD1-CG 4.44Å
163E88.1Confident88.6Confident65 Ų6555.4 Ų55.430%0.30427%0.265SS..Hα-helixtrans-65.9-36.8173.6-74.3-165163.700112.7E159 E161 V165 G166 I167 R168 K171E159-E163 WeakPolarHBondContact O-CB 3.43Å; E159-E163 WeakPolarHBondContact O-CG 3.49Å; E159-E163 PolarHBondContact O-N 2.87Å; E161-E163 VanDerWaalsContact C-N 3.3Å; E161-E163 PolarHBondContact O-N 2.8Å; E163-V165 PolarHBondContact O-N 3.3Å; E163-G166 PolarHBondContact O-N 2.9Å; E163-G166 VanDerWaalsContact O-N 3.16Å; E163-I167 WeakPolarHBondContact CA-O 3.41Å; E163-R168 VanDerWaalsContact CA-NH1 3.27Å; E163-R168 PolarHBondContact O-NH1 3.39Å; E163-K171 IonicContact OE1-NZ 3.87Å; E163-K171 PolarHBondContact OE1-NZ 3.33Å
164A82.3Confident88.9Confident12 Ų1251.9 Ų51.910%0.09924%0.244CC..Hα-helixtrans-62.4-31.5176.900000113.1R38 N160 E161 L162 G166R38-A164 WeakPolarHBondContact CD-O 3.48Å; R38-A164 VanDerWaalsContact CZ-CB 3.45Å; N160-A164 WeakPolarHBondContact O-CB 3.42Å; N160-A164 PolarHBondContact O-N 3.13Å; E161-A164 WeakPolarHBondContact O-CB 3.44Å; E161-A164 PolarHBondContact O-N 3.3Å; L162-A164 VanDerWaalsContact C-N 3.34Å; L162-A164 PolarHBondContact O-N 2.99Å; A164-G166 VanDerWaalsContact C-N 3.33Å
165V80.3Confident89.3Confident8 Ų853.9 Ų53.95%0.04826%0.256CS..THydrogen-bonded Turntrans-91.43.2-179.8-55.50000113.3I133 E161 L162 E163 I167I133-V165 HydrophobicContact CD1-CB 3.76Å; I133-V165 HydrophobicContact CD1-CG1 3.24Å; I133-V165 HydrophobicContact CG1-CB 3.87Å; I133-V165 HydrophobicContact CG1-CG1 3.68Å; I133-V165 HydrophobicContact CG1-CG2 4.1Å; I133-V165 HydrophobicContact CG2-CB 3.81Å; I133-V165 HydrophobicContact CG2-CG2 4.04Å; E161-V165 PolarHBondContact O-N 3.32Å; L162-V165 WeakPolarHBondContact O-CG2 3.47Å; L162-V165 PolarHBondContact O-N 3.45Å; E163-V165 PolarHBondContact O-N 3.3Å; V165-I167 HydrophobicContact CG2-CD1 4.09Å; V165-I167 HydrophobicContact CG2-CG1 4.19Å
166G85.4Confident89.4Confident4 Ų452.3 Ų52.34%0.04125%0.251CS..THydrogen-bonded Turntrans88.818.5175.100000115L162 E163 A164 R235 V236L162-G166 PolarHBondContact O-N 2.85Å; E163-G166 PolarHBondContact O-N 2.9Å; E163-G166 VanDerWaalsContact O-N 3.16Å; A164-G166 VanDerWaalsContact C-N 3.33Å; G166-R235 VanDerWaalsContact CA-CD 3.46Å; G166-R235 WeakPolarHBondContact O-CA 3.36Å; G166-R235 WeakPolarHBondContact O-CD 3.44Å; G166-V236 PolarHBondContact O-N 2.69Å
167I89.3Confident89.6Confident0 Ų050 Ų500%024%0.239CC..EExtended strand (participates in β ladder)trans-93.2136.4169.8-61.1171.9000108.3A136 R137 L162 E163 V165 L169 V236 L238A136-I167 HydrophobicContact CB-CD1 3.71Å; R137-I167 HydrophobicContact CG-CD1 4.05Å; R137-I167 HydrophobicContact CG-CG1 3.96Å; L162-I167 CarbonylContact C-O 3.53Å; L162-I167 HydrophobicContact CB-CB 4.36Å; L162-I167 HydrophobicContact CD2-CD1 3.84Å; L162-I167 WeakPolarHBondContact O-CB 3.44Å; L162-I167 PolarHBondContact O-N 3.33Å; E163-I167 WeakPolarHBondContact CA-O 3.41Å; V165-I167 HydrophobicContact CG2-CD1 4.09Å; V165-I167 HydrophobicContact CG2-CG1 4.19Å; I167-L169 HydrophobicContact CG2-CD2 3.65Å; I167-V236 CarbonylContact C-O 3.6Å; I167-V236 WeakPolarHBondContact CA-O 3.42Å; I167-L238 HydrophobicContact CG2-CB 4.49Å; I167-L238 HydrophobicContact CG2-CD1 3.94Å; I167-L238 HydrophobicContact CG2-CG 4.31Å
168R93Very high90Very high24 Ų2449 Ų499%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-118.6112.5176.7-62.9-65.7175.5-98.74.8108.1E163 K171 D229 V236 Y237 L238E163-R168 VanDerWaalsContact CA-NH1 3.27Å; E163-R168 PolarHBondContact O-NH1 3.39Å; R168-K171 HydrophobicContact CB-CB 4.32Å; R168-K171 HydrophobicContact CB-CD 4.43Å; R168-D229 IonicContact CZ-OD1 3.63Å; R168-D229 IonicContact CZ-OD2 3.65Å; R168-D229 IonicContact NE-OD1 2.67Å; R168-D229 IonicContact NE-OD2 3.65Å; R168-D229 PolarHBondContact NE-OD2 2.93Å; R168-D229 VanDerWaalsContact NH2-CG 3.34Å; R168-D229 IonicContact NH2-OD1 3.79Å; R168-D229 PolarHBondContact NH2-OD1 3.29Å; R168-D229 IonicContact NH2-OD2 3.3Å; R168-D229 PolarHBondContact NH2-OD2 3.36Å; R168-V236 PolarHBondContact N-O 3.25Å; R168-Y237 HydrophobicContact CB-CD1 3.61Å; R168-Y237 HydrophobicContact CB-CE1 3.81Å; R168-Y237 HydrophobicContact CB-CG 4.18Å; R168-Y237 HydrophobicContact CG-CD1 4.15Å; R168-Y237 HydrophobicContact CG-CE1 3.84Å; R168-Y237 WeakPolarHBondContact O-CA 3.29Å; R168-L238 PolarHBondContact O-N 3.34Å
169L94Very high90.3Very high12 Ų1254.1 Ų54.16%0.06325%0.254CS..EExtended strand (participates in β ladder)trans-87.1133-176.3-53.5178.4000110.2V142 M144 E159 L162 I167 K171 L238 C240V142-L169 HydrophobicContact CB-CD2 4.22Å; V142-L169 HydrophobicContact CG2-CD2 4.04Å; M144-L169 HydrophobicContact CE-CD1 3.64Å; E159-L169 HydrophobicContact CG-CD1 4.24Å; L162-L169 HydrophobicContact CB-CD1 4.43Å; L162-L169 HydrophobicContact CD1-CD1 3.75Å; L162-L169 HydrophobicContact CD1-CD2 4.2Å; L162-L169 HydrophobicContact CD1-CG 4.44Å; I167-L169 HydrophobicContact CG2-CD2 3.65Å; L169-K171 WeakPolarHBondContact O-CG 3.41Å; L169-K171 PolarHBondContact O-N 3.15Å; L169-K171 VanDerWaalsContact O-N 3.08Å; L169-L238 CarbonylContact C-O 3.51Å; L169-L238 WeakPolarHBondContact CA-O 3.31Å; L169-C240 HydrophobicContact CB-CB 3.84Å; L169-C240 HydrophobicContact CD1-CB 4.24Å; L169-C240 HydrophobicContact CD2-CB 3.98Å; L169-C240 HydrophobicContact CG-CB 4.22Å
170N94.5Very high90.4Very high50 Ų5057.7 Ų57.727%0.26727%0.271SS..SBendtrans52.631.1175-62.4-36.8000114.3L238 C240N170-L238 PolarHBondContact N-O 3.18Å; N170-C240 PolarHBondContact ND2-O 3.44Å; N170-C240 PolarHBondContact OD1-N 3.13Å; N170-C240 PolarHBondContact OD1-O 3.32Å
171K92.8Very high90.7Very high98 Ų9857.2 Ų57.243%0.42627%0.265SS..  trans-119.2145.9177.9-71.1173.7-176.6174.20110E163 R168 L169 Y237E163-K171 IonicContact OE1-NZ 3.87Å; E163-K171 PolarHBondContact OE1-NZ 3.33Å; R168-K171 HydrophobicContact CB-CB 4.32Å; R168-K171 HydrophobicContact CB-CD 4.43Å; L169-K171 WeakPolarHBondContact O-CG 3.41Å; L169-K171 PolarHBondContact O-N 3.15Å; L169-K171 VanDerWaalsContact O-N 3.08Å; K171-Y237 HydrophobicContact CB-CD1 4.24Å; K171-Y237 WeakPolarHBondContact O-CD1 3.49Å
172N91.1Very high91.1Very high154 Ų15465.5 Ų65.582%0.82430%0.3SS*.PPolyproline II helixtrans-83.8158.1168.7-68.6-39.4000110.1Y237N172-Y237 VanDerWaalsContact O-CE1 3.31Å; N172-Y237 WeakPolarHBondContact O-CE1 3.24Å
173R92.3Very high91.2Very high190 Ų19070.7 Ų70.772%0.71733%0.332SS*.PPolyproline II helixtrans-63129.8171.6-73.3-179.4179.6174.12.3109.4N175 Y237R173-N175 PolarHBondContact O-N 3Å; R173-Y237 HydrophobicContact CB-CE2 4.48Å; R173-Y237 HydrophobicContact CG-CD1 4.28Å; R173-Y237 HydrophobicContact CG-CD2 3.48Å; R173-Y237 VanDerWaalsContact CG-CD2 3.48Å; R173-Y237 HydrophobicContact CG-CE1 4.37Å; R173-Y237 HydrophobicContact CG-CE2 3.61Å; R173-Y237 HydrophobicContact CG-CG 3.84Å
174P93.9Very high91.2Very high15 Ų1571 Ų7110%0.09735%0.353CS..PPolyproline II helixtrans-57.9133.7178-25.733.7000111.5I176 E220 E226 V230 Y237P174-I176 HydrophobicContact CB-CD1 3.97Å; P174-I176 HydrophobicContact CB-CG1 4.08Å; P174-I176 PolarHBondContact O-N 3.34Å; P174-E220 WeakPolarHBondContact CA-OE1 3.34Å; P174-E226 HydrophobicContact CB-CB 4.08Å; P174-E226 HydrophobicContact CG-CB 3.65Å; P174-E226 HydrophobicContact CG-CG 3.88Å; P174-V230 HydrophobicContact CB-CG2 4Å; P174-V230 HydrophobicContact CG-CG2 4.31Å; P174-Y237 WeakPolarHBondContact CD-OH 3.42Å
175N94.4Very high91.6Very high75 Ų7571.9 Ų71.940%0.40136%0.363SS..  trans-83.763.2-179.6-165.76.3000111.1R173 R219 E220R173-N175 PolarHBondContact O-N 3Å; N175-R219 HydrophobicContact CB-CB 4.41Å; N175-R219 WeakPolarHBondContact O-CB 3.47Å; N175-R219 PolarHBondContact O-N 3.02Å; N175-R219 WeakPolarHBondContact OD1-CD 3.29Å; N175-E220 HydrophobicContact CB-CG 4.35Å; N175-E220 WeakPolarHBondContact CB-OE2 3.37Å; N175-E220 VanDerWaalsContact N-CD 3.28Å; N175-E220 PolarHBondContact N-OE1 3.13Å
176I94.1Very high92.2Very high15 Ų1573.4 Ų73.48%0.07737%0.371CS..EExtended strand (participates in β ladder)trans-114.4120178.6-50.2169.8000108.1P174 F178 V216 F218 S222 F227 V230P174-I176 HydrophobicContact CB-CD1 3.97Å; P174-I176 HydrophobicContact CB-CG1 4.08Å; P174-I176 PolarHBondContact O-N 3.34Å; I176-F178 PolarHBondContact O-N 2.88Å; I176-V216 HydrophobicContact CG2-CG1 3.87Å; I176-F218 HydrophobicContact CD1-CD1 4.06Å; I176-F218 HydrophobicContact CD1-CE1 3.84Å; I176-F218 HydrophobicContact CG1-CD1 3.97Å; I176-F218 HydrophobicContact CG1-CE1 4.23Å; I176-F218 HydrophobicContact CG2-CD1 4.1Å; I176-F218 HydrophobicContact CG2-CE1 4.12Å; I176-S222 WeakPolarHBondContact CD1-OG 2.94Å; I176-F227 HydrophobicContact CD1-CB 4.23Å; I176-F227 HydrophobicContact CD1-CD2 4.2Å; I176-F227 HydrophobicContact CG2-CD2 4.27Å; I176-V230 HydrophobicContact CB-CG1 4.41Å; I176-V230 HydrophobicContact CB-CG2 4.21Å; I176-V230 HydrophobicContact CD1-CG2 4.12Å
177Y95Very high92.6Very high89 Ų8978.5 Ų78.535%0.34939%0.392SS..EExtended strand (participates in β ladder)trans-79121.1170.2179.5-96.4000108.8K179 E215 V216 I217Y177-K179 HydrophobicContact CE1-CB 3.81Å; Y177-K179 VanDerWaalsContact OH-CD 3.25Å; Y177-K179 WeakPolarHBondContact OH-CD 3.24Å; Y177-E215 HydrophobicContact CE1-CG 4.33Å; Y177-V216 CarbonylContact O-C 3.33Å; Y177-V216 VanDerWaalsContact O-CA 3.29Å; Y177-V216 WeakPolarHBondContact O-CA 3.37Å; Y177-I217 HydrophobicContact CD1-CD1 3.87Å; Y177-I217 HydrophobicContact CD1-CG1 4.08Å; Y177-I217 HydrophobicContact CE1-CD1 4.47Å; Y177-I217 HydrophobicContact CG-CD1 4.44Å; Y177-I217 PolarHBondContact N-O 2.95Å; Y177-I217 PolarHBondContact O-N 2.98Å
178F94.4Very high92.8Very high52 Ų5279.9 Ų79.923%0.22840%0.399CS..EExtended strand (participates in β ladder)trans-128.2122.4176.8171.5-113.2000109.8I176 L206 I211 A214 E215 V216 V230I176-F178 PolarHBondContact O-N 2.88Å; F178-L206 HydrophobicContact CE2-CD2 3.73Å; F178-L206 HydrophobicContact CZ-CD2 4.27Å; F178-I211 HydrophobicContact CZ-CD1 3.83Å; F178-A214 HydrophobicContact CE2-CB 3.85Å; F178-E215 WeakPolarHBondContact CA-O 3.39Å; F178-V216 HydrophobicContact CD2-CG2 4.12Å; F178-V230 HydrophobicContact CB-CG1 3.71Å; F178-V230 HydrophobicContact CG-CG1 4.44Å
179K94.4Very high92.8Very high112 Ų11281.6 Ų81.649%0.48741%0.412SS..EExtended strand (participates in β ladder)trans-136.3116.2175.8-177.6172.6177.9179.80110.8Y177 A214 E215Y177-K179 HydrophobicContact CE1-CB 3.81Å; Y177-K179 VanDerWaalsContact OH-CD 3.25Å; Y177-K179 WeakPolarHBondContact OH-CD 3.24Å; K179-A214 CarbonylContact O-C 3.53Å; K179-A214 WeakPolarHBondContact O-CA 3.21Å; K179-E215 PolarHBondContact N-O 3.38Å; K179-E215 PolarHBondContact O-N 2.77Å
180Q93.3Very high92.8Very high122 Ų12283.3 Ų83.357%0.5743%0.425SS*.EExtended strand (participates in β ladder)trans-69.3135.2172-165.5173.929.600110.4I211Q180-I211 HydrophobicContact CG-CG2 4.17Å
181K93Very high92.7Very high75 Ų7587.3 Ų87.333%0.32644%0.444SS..  trans-112.7163179.2-68.3-178.2175.61750110N213 E215K181-N213 HydrophobicContact CB-CB 4.25Å; K181-N213 PolarHBondContact N-O 3.05Å; K181-N213 VanDerWaalsContact O-CB 3.27Å; K181-N213 WeakPolarHBondContact O-CB 3.46Å; K181-E215 HydrophobicContact CD-CB 4.39Å; K181-E215 WeakPolarHBondContact CE-OE2 3.15Å; K181-E215 VanDerWaalsContact NZ-CD 3.31Å; K181-E215 IonicContact NZ-OE1 3.1Å; K181-E215 IonicContact NZ-OE2 2.97Å; K181-E215 PolarHBondContact NZ-OE2 3.06Å
182K89.9Confident92.6Very high199 Ų19985 Ų8587%0.86544%0.438SS*.SBendtrans-79.3-38.2173.7-66.1-174.6178.8-1780112N213K182-N213 PolarHBondContact O-ND2 3.39Å
183T90.7Very high92.7Very high113 Ų11383 Ų8369%0.69343%0.434SS*.SBendtrans-145.3168.4-177.654.20000110.2N213T183-N213 WeakPolarHBondContact CA-OD1 3.23Å
184G86.9Confident92.6Very high72 Ų7276.4 Ų76.474%0.74241%0.412SS*.SBendtrans1084.8173.200000115.9N213G184-N213 PolarHBondContact N-OD1 2.52Å
185G91.2Very high92.5Very high30 Ų3081 Ų8131%0.30944%0.44SS..  trans69.4-164.4179.900000113.4F212 N213 A214G185-F212 CarbonylContact C-O 3.59Å; G185-F212 WeakPolarHBondContact CA-O 3.31Å; G185-N213 WeakPolarHBondContact CA-OD1 3.32Å; G185-N213 PolarHBondContact N-OD1 2.83Å; G185-N213 WeakPolarHBondContact O-CA 3.38Å; G185-A214 PolarHBondContact O-N 3.45Å; G185-A214 VanDerWaalsContact O-N 3.11Å
186L93Very high92.3Very high41 Ų4182 Ų8222%0.21544%0.441CS..EExtended strand (participates in β ladder)trans-91.6118.9177.1-61.7-179000109.5Q203 L206 A214L186-Q203 HydrophobicContact CD1-CB 4.01Å; L186-Q203 HydrophobicContact CD1-CG 3.84Å; L186-L206 HydrophobicContact CD1-CB 4.36Å; L186-L206 HydrophobicContact CD1-CD1 4.15Å; L186-L206 HydrophobicContact CD2-CD1 3.74Å; L186-A214 WeakPolarHBondContact CA-O 3.33Å; L186-A214 HydrophobicContact CD2-CB 3.96Å
187K93.7Very high92.1Very high110 Ų11081.5 Ų81.548%0.47844%0.438SS..EExtended strand (participates in β ladder)trans-108.5108.5171.3-174.8-177176.2-164.10108.6A214 E215 V216K187-A214 PolarHBondContact N-O 2.95Å; K187-E215 IonicContact NZ-OE1 3.34Å; K187-E215 PolarHBondContact NZ-OE1 3.45Å; K187-E215 WeakPolarHBondContact O-CA 3.43Å; K187-V216 PolarHBondContact O-N 3.41Å
188I93.5Very high91.9Very high29 Ų2979.5 Ų79.515%0.14943%0.434CS..EExtended strand (participates in β ladder)trans-112.2120-179.5-59.6161.8000108E199 T202 Q203 V216 F218I188-E199 HydrophobicContact CB-CG 4.09Å; I188-E199 HydrophobicContact CD1-CG 3.65Å; I188-E199 HydrophobicContact CG1-CG 4.47Å; I188-E199 HydrophobicContact CG2-CG 4.29Å; I188-T202 HydrophobicContact CD1-CG2 3.72Å; I188-T202 HydrophobicContact CG1-CG2 4.11Å; I188-T202 HydrophobicContact CG2-CG2 4.43Å; I188-Q203 HydrophobicContact CD1-CG 3.57Å; I188-V216 WeakPolarHBondContact CA-O 3.36Å; I188-V216 HydrophobicContact CG1-CB 4.26Å; I188-V216 HydrophobicContact CG1-CG2 4.37Å; I188-F218 HydrophobicContact CG2-CD2 4.25Å; I188-F218 HydrophobicContact CG2-CE2 3.9Å
189T93.8Very high91.7Very high60 Ų6082.2 Ų82.237%0.36845%0.447SS..EExtended strand (participates in β ladder)trans-123.6147.2178.1-49.30000108.8V216 I217 F218T189-V216 PolarHBondContact N-O 3.01Å; T189-I217 VanDerWaalsContact O-CA 3.3Å; T189-I217 WeakPolarHBondContact O-CA 3.31Å; T189-F218 PolarHBondContact O-N 2.8Å
190S92.3Very high91.5Very high49 Ų4982.4 Ų82.434%0.34345%0.448SS..EExtended strand (participates in β ladder)trans-124.5139.6170.4-165.50000111.2V192 L194S190-V192 WeakPolarHBondContact CB-O 3.38Å; S190-V192 PolarHBondContact OG-N 3Å; S190-V192 PolarHBondContact OG-O 3.43Å; S190-L194 WeakPolarHBondContact OG-CD2 3.37Å; S190-L194 WeakPolarHBondContact OG-CG 3.2Å
191M92.3Very high91.3Very high133 Ų13376.7 Ų76.766%0.65542%0.421SS*.SBendtrans-92.1-12.1170.5-62.6-172.8169.900112.4I217 F218 R219M191-I217 HydrophobicContact CE-CG2 4.13Å; M191-I217 HydrophobicContact CG-CG2 4.25Å; M191-F218 PolarHBondContact N-O 3.24Å; M191-R219 HydrophobicContact SD-CG 3.94Å
192V92.3Very high91.3Very high49 Ų4973.1 Ų73.130%0.29741%0.406SS..SBendtrans-131.6156.6179.4-60.20000111.2S190 L194S190-V192 WeakPolarHBondContact CB-O 3.38Å; S190-V192 PolarHBondContact OG-N 3Å; S190-V192 PolarHBondContact OG-O 3.43Å; V192-L194 HydrophobicContact CG2-CD2 4.21Å; V192-L194 PolarHBondContact O-N 3.48Å
193P92Very high91.4Very high114 Ų11466.4 Ų66.474%0.7438%0.377SS*.  trans-60.4125.7170.2-21.533.6000110.7
194L91.5Very high91.5Very high51 Ų5163.2 Ų63.227%0.26736%0.355SS..  trans-93.6118.2178-57.1178000109.6S190 V192 I197 F218S190-L194 WeakPolarHBondContact OG-CD2 3.37Å; S190-L194 WeakPolarHBondContact OG-CG 3.2Å; V192-L194 HydrophobicContact CG2-CD2 4.21Å; V192-L194 PolarHBondContact O-N 3.48Å; L194-I197 VanDerWaalsContact CB-O 3.24Å; L194-I197 WeakPolarHBondContact CB-O 3.28Å; L194-I197 HydrophobicContact CD1-CG2 4.14Å; L194-F218 HydrophobicContact CD1-CB 4.31Å; L194-F218 HydrophobicContact CD1-CD2 3.88Å; L194-F218 HydrophobicContact CD1-CE2 4.38Å; L194-F218 HydrophobicContact CD1-CG 4.05Å; L194-F218 HydrophobicContact CD2-CB 3.85Å; L194-F218 HydrophobicContact CD2-CD1 4.44Å; L194-F218 HydrophobicContact CD2-CG 4.14Å
195T90.8Very high91.8Very high111 Ų11159.8 Ų59.868%0.68132%0.32SS*.SBendtrans-104.4-22.8178.675.50000112.3D221T195-D221 PolarHBondContact N-OD1 3.41Å; T195-D221 PolarHBondContact OG1-OD2 3.06Å
196K90Very high91.9Very high96 Ų9658.3 Ų58.342%0.41731%0.305SS..SBendtrans-103.4-20.3-172.2-56175.2-161.4157.40114.2D221 T223 P224K196-D221 WeakPolarHBondContact CD-O 3.47Å; K196-D221 WeakPolarHBondContact CE-O 3.48Å; K196-D221 WeakPolarHBondContact CE-OD2 3.28Å; K196-D221 PolarHBondContact N-OD1 3.24Å; K196-D221 PolarHBondContact NZ-O 3.13Å; K196-D221 IonicContact NZ-OD2 2.73Å; K196-T223 HydrophobicContact CB-CG2 4.3Å; K196-T223 HydrophobicContact CD-CG2 3.62Å; K196-P224 WeakPolarHBondContact O-CD 3.45Å
197I90.4Very high91.8Very high5 Ų561 Ų613%0.02632%0.317CS..  trans-140144.4178.4-165174.4000109.6L194 M201 T202 I205 F218 S222 P224 F227L194-I197 VanDerWaalsContact CB-O 3.24Å; L194-I197 WeakPolarHBondContact CB-O 3.28Å; L194-I197 HydrophobicContact CD1-CG2 4.14Å; I197-M201 HydrophobicContact CD1-CG 4.48Å; I197-M201 HydrophobicContact CG1-CB 4.03Å; I197-M201 HydrophobicContact CG1-CG 4Å; I197-T202 WeakPolarHBondContact CD1-OG1 3.41Å; I197-I205 HydrophobicContact CD1-CD1 4.48Å; I197-F218 HydrophobicContact CD1-CZ 4.22Å; I197-F218 HydrophobicContact CG2-CE1 4.08Å; I197-F218 HydrophobicContact CG2-CZ 4.24Å; I197-S222 VanDerWaalsContact CG2-O 3.23Å; I197-S222 WeakPolarHBondContact CG2-O 3.38Å; I197-P224 HydrophobicContact CG1-CG 4.39Å; I197-F227 HydrophobicContact CD1-CB 3.95Å; I197-F227 HydrophobicContact CD1-CD1 4.15Å; I197-F227 HydrophobicContact CD1-CG 4.18Å
198N89.7Confident91.6Very high47 Ų4757.6 Ų57.625%0.25130%0.302SS..  trans-117.5163.3175.564.147.3000110.8Y25 K200 M201 T202Y25-N198 WeakPolarHBondContact CE1-OD1 3.28Å; Y25-N198 PolarHBondContact OH-ND2 3.33Å; Y25-N198 VanDerWaalsContact OH-ND2 3.1Å; N198-K200 VanDerWaalsContact C-N 3.28Å; N198-K200 PolarHBondContact O-N 3.01Å; N198-K200 PolarHBondContact OD1-N 3.05Å; N198-M201 WeakPolarHBondContact O-CB 3.45Å; N198-M201 PolarHBondContact O-N 3.09Å; N198-M201 VanDerWaalsContact O-N 3.11Å; N198-M201 VanDerWaalsContact OD1-CB 3.29Å; N198-M201 WeakPolarHBondContact OD1-CB 3.4Å; N198-M201 PolarHBondContact OD1-N 3.42Å; N198-T202 PolarHBondContact O-N 3.36Å; N198-T202 PolarHBondContact O-OG1 3.13Å
199E90.1Very high91.5Very high108 Ų10858.2 Ų58.251%0.50530%0.303SS..Hα-helixtrans-55.7-43.3-176.8-169.4-174.116300112.4I188 M201 T202 Q203I188-E199 HydrophobicContact CB-CG 4.09Å; I188-E199 HydrophobicContact CD1-CG 3.65Å; I188-E199 HydrophobicContact CG1-CG 4.47Å; I188-E199 HydrophobicContact CG2-CG 4.29Å; E199-M201 VanDerWaalsContact C-N 3.34Å; E199-M201 PolarHBondContact O-N 3.31Å; E199-T202 WeakPolarHBondContact O-CB 3.13Å; E199-T202 PolarHBondContact O-N 2.95Å; E199-Q203 WeakPolarHBondContact O-CG 3.11Å; E199-Q203 PolarHBondContact O-N 3.25Å; E199-Q203 PolarHBondContact OE1-NE2 3.21Å; E199-Q203 VanDerWaalsContact OE1-NE2 3.08Å
200K90.6Very high91.4Very high116 Ų11663.1 Ų63.150%0.50432%0.319SS..Hα-helixtrans-61.5-41.1179.2-179.6175.9177.3-178.20112Y25 N198 Q203 M204Y25-K200 HydrophobicContact CD1-CD 4.36Å; Y25-K200 HydrophobicContact CD1-CG 4.16Å; Y25-K200 HydrophobicContact CE1-CB 3.75Å; Y25-K200 HydrophobicContact CE1-CD 3.71Å; Y25-K200 HydrophobicContact CE1-CG 3.6Å; N198-K200 VanDerWaalsContact C-N 3.28Å; N198-K200 PolarHBondContact O-N 3.01Å; N198-K200 PolarHBondContact OD1-N 3.05Å; K200-Q203 PolarHBondContact O-N 3.4Å; K200-M204 HydrophobicContact CG-SD 4.41Å; K200-M204 VanDerWaalsContact O-CG 3.32Å; K200-M204 WeakPolarHBondContact O-CG 3.48Å; K200-M204 PolarHBondContact O-N 2.83Å
201M90.6Very high91.3Very high2 Ų261.5 Ų61.51%0.0131%0.307CS..Hα-helixtrans-62.7-46.6175.4-17672.475.800110.9E24 Y25 I197 N198 E199 Q203 M204 I205 P224E24-M201 VanDerWaalsContact C-CE 3.47Å; E24-M201 HydrophobicContact CB-CE 4.34Å; E24-M201 HydrophobicContact CG-CE 3.74Å; E24-M201 WeakPolarHBondContact O-CE 3.22Å; Y25-M201 HydrophobicContact CD1-CB 4.34Å; Y25-M201 HydrophobicContact CD1-CE 3.97Å; Y25-M201 HydrophobicContact CD1-SD 4.21Å; Y25-M201 HydrophobicContact CE1-CB 4.29Å; Y25-M201 HydrophobicContact CG-CE 4.39Å; I197-M201 HydrophobicContact CD1-CG 4.48Å; I197-M201 HydrophobicContact CG1-CB 4.03Å; I197-M201 HydrophobicContact CG1-CG 4Å; N198-M201 WeakPolarHBondContact O-CB 3.45Å; N198-M201 PolarHBondContact O-N 3.09Å; N198-M201 VanDerWaalsContact O-N 3.11Å; N198-M201 VanDerWaalsContact OD1-CB 3.29Å; N198-M201 WeakPolarHBondContact OD1-CB 3.4Å; N198-M201 PolarHBondContact OD1-N 3.42Å; E199-M201 VanDerWaalsContact C-N 3.34Å; E199-M201 PolarHBondContact O-N 3.31Å; M201-Q203 VanDerWaalsContact C-N 3.32Å; M201-Q203 PolarHBondContact O-N 3.48Å; M201-M204 PolarHBondContact O-N 2.96Å; M201-I205 HydrophobicContact CG-CD1 3.96Å; M201-I205 WeakPolarHBondContact O-CG1 3.12Å; M201-I205 PolarHBondContact O-N 2.99Å; M201-P224 HydrophobicContact CG-CG 4.45Å
202T92.4Very high91.4Very high0 Ų061.3 Ų61.30%030%0.302CS..Hα-helixtrans-57.8-45.2176.3-53.10000111.1I188 I197 N198 E199 I205 L206 V216 F218 F227I188-T202 HydrophobicContact CD1-CG2 3.72Å; I188-T202 HydrophobicContact CG1-CG2 4.11Å; I188-T202 HydrophobicContact CG2-CG2 4.43Å; I197-T202 WeakPolarHBondContact CD1-OG1 3.41Å; N198-T202 PolarHBondContact O-N 3.36Å; N198-T202 PolarHBondContact O-OG1 3.13Å; E199-T202 WeakPolarHBondContact O-CB 3.13Å; E199-T202 PolarHBondContact O-N 2.95Å; T202-I205 PolarHBondContact O-N 2.83Å; T202-L206 HydrophobicContact CG2-CD1 4.35Å; T202-L206 WeakPolarHBondContact O-CG 3.42Å; T202-L206 PolarHBondContact O-N 3.43Å; T202-V216 HydrophobicContact CG2-CG1 4.45Å; T202-V216 HydrophobicContact CG2-CG2 4.42Å; T202-F218 HydrophobicContact CG2-CE2 4.07Å; T202-F218 HydrophobicContact CG2-CZ 4.02Å; T202-F227 HydrophobicContact CG2-CD1 4.25Å; T202-F227 HydrophobicContact CG2-CE1 3.56Å; T202-F227 HydrophobicContact CG2-CE2 4.04Å; T202-F227 HydrophobicContact CG2-CZ 3.44Å; T202-F227 VanDerWaalsContact CG2-CZ 3.44Å
203Q92.4Very high91.5Very high59 Ų5961.1 Ų61.128%0.27630%0.3SS..Hα-helixtrans-61.5-45.5176.4-67.6176.84.900111.9L186 I188 E199 K200 M201 I205 L206 Q207L186-Q203 HydrophobicContact CD1-CB 4.01Å; L186-Q203 HydrophobicContact CD1-CG 3.84Å; I188-Q203 HydrophobicContact CD1-CG 3.57Å; E199-Q203 WeakPolarHBondContact O-CG 3.11Å; E199-Q203 PolarHBondContact O-N 3.25Å; E199-Q203 PolarHBondContact OE1-NE2 3.21Å; E199-Q203 VanDerWaalsContact OE1-NE2 3.08Å; K200-Q203 PolarHBondContact O-N 3.4Å; M201-Q203 VanDerWaalsContact C-N 3.32Å; M201-Q203 PolarHBondContact O-N 3.48Å; Q203-I205 PolarHBondContact O-N 3.31Å; Q203-L206 PolarHBondContact O-N 3.07Å; Q203-Q207 VanDerWaalsContact O-CG 3.29Å; Q203-Q207 WeakPolarHBondContact O-CG 3.29Å; Q203-Q207 PolarHBondContact O-N 3.19Å
204M91.5Very high91.6Very high45 Ų4555.7 Ų55.722%0.22226%0.264CS..Hα-helixtrans-62.2-42.3178.6-73.7-179.665.500112.5Y25 K200 M201 Q207 E208Y25-M204 HydrophobicContact CD1-SD 3.7Å; Y25-M204 HydrophobicContact CG-SD 4.07Å; K200-M204 HydrophobicContact CG-SD 4.41Å; K200-M204 VanDerWaalsContact O-CG 3.32Å; K200-M204 WeakPolarHBondContact O-CG 3.48Å; K200-M204 PolarHBondContact O-N 2.83Å; M201-M204 PolarHBondContact O-N 2.96Å; M204-Q207 PolarHBondContact O-N 3.37Å; M204-E208 PolarHBondContact O-N 3.46Å; M204-E208 VanDerWaalsContact O-N 3.13Å
205I92.7Very high91.8Very high0 Ų054.8 Ų54.80%026%0.259CS..Hα-helixtrans-60.7-48.3175.6-68.6166.2000109.9A32 I197 M201 T202 Q203 Q207 E208 Y209 P224 F227 I228A32-I205 HydrophobicContact CB-CG1 4.41Å; A32-I205 HydrophobicContact CB-CG2 4.22Å; I197-I205 HydrophobicContact CD1-CD1 4.48Å; M201-I205 HydrophobicContact CG-CD1 3.96Å; M201-I205 WeakPolarHBondContact O-CG1 3.12Å; M201-I205 PolarHBondContact O-N 2.99Å; T202-I205 PolarHBondContact O-N 2.83Å; Q203-I205 PolarHBondContact O-N 3.31Å; I205-Q207 VanDerWaalsContact C-N 3.34Å; I205-Q207 PolarHBondContact O-N 2.99Å; I205-E208 WeakPolarHBondContact O-CB 3.11Å; I205-E208 PolarHBondContact O-N 3.4Å; I205-Y209 HydrophobicContact CG2-CD2 4.26Å; I205-Y209 HydrophobicContact CG2-CE2 4.17Å; I205-Y209 VanDerWaalsContact O-CD2 3.28Å; I205-Y209 WeakPolarHBondContact O-CD2 3.28Å; I205-Y209 PolarHBondContact O-N 3Å; I205-P224 HydrophobicContact CD1-CB 4.18Å; I205-F227 HydrophobicContact CB-CD1 4.21Å; I205-F227 HydrophobicContact CB-CE1 4.04Å; I205-F227 HydrophobicContact CD1-CD1 3.93Å; I205-F227 HydrophobicContact CG2-CD1 3.87Å; I205-F227 HydrophobicContact CG2-CE1 3.8Å; I205-I228 HydrophobicContact CD1-CD1 4.36Å; I205-I228 HydrophobicContact CD1-CG1 4.19Å; I205-I228 HydrophobicContact CG2-CG1 3.82Å
206L93.4Very high92Very high0 Ų049.6 Ų49.60%023%0.227CC..Hα-helixtrans-62.1-39.8179.5-71.3174.2000112.8F178 L186 T202 Q203 E208 Y209 K210 I211 V216 F227 V231F178-L206 HydrophobicContact CE2-CD2 3.73Å; F178-L206 HydrophobicContact CZ-CD2 4.27Å; L186-L206 HydrophobicContact CD1-CB 4.36Å; L186-L206 HydrophobicContact CD1-CD1 4.15Å; L186-L206 HydrophobicContact CD2-CD1 3.74Å; T202-L206 HydrophobicContact CG2-CD1 4.35Å; T202-L206 WeakPolarHBondContact O-CG 3.42Å; T202-L206 PolarHBondContact O-N 3.43Å; Q203-L206 PolarHBondContact O-N 3.07Å; L206-E208 VanDerWaalsContact C-N 3.32Å; L206-E208 PolarHBondContact O-N 3.45Å; L206-Y209 CarbonylContact O-C 3.54Å; L206-Y209 PolarHBondContact O-N 3.43Å; L206-Y209 VanDerWaalsContact O-N 3.15Å; L206-K210 PolarHBondContact O-N 2.82Å; L206-I211 CarbonylContact C-O 3.41Å; L206-I211 HydrophobicContact CB-CB 4.31Å; L206-I211 HydrophobicContact CD2-CB 4.26Å; L206-I211 HydrophobicContact CD2-CD1 4.32Å; L206-I211 HydrophobicContact CD2-CG2 4.24Å; L206-I211 WeakPolarHBondContact O-CB 3.32Å; L206-I211 PolarHBondContact O-N 2.96Å; L206-V216 HydrophobicContact CD1-CG2 3.97Å; L206-F227 HydrophobicContact CD1-CZ 4.12Å; L206-F227 HydrophobicContact CD2-CE1 4.26Å; L206-F227 HydrophobicContact CD2-CZ 3.8Å; L206-F227 HydrophobicContact CG-CE1 4.05Å; L206-F227 HydrophobicContact CG-CZ 3.82Å; L206-V231 HydrophobicContact CD2-CG1 4.37Å; L206-V231 HydrophobicContact CD2-CG2 3.9Å
207Q91.6Very high92.3Very high98 Ų9846.4 Ų46.446%0.45821%0.214SC..Hα-helixtrans-61.9-37.7175.7-74.3173.8200112.4Q203 M204 I205 Y209 K210 F212Q203-Q207 VanDerWaalsContact O-CG 3.29Å; Q203-Q207 WeakPolarHBondContact O-CG 3.29Å; Q203-Q207 PolarHBondContact O-N 3.19Å; M204-Q207 PolarHBondContact O-N 3.37Å; I205-Q207 VanDerWaalsContact C-N 3.34Å; I205-Q207 PolarHBondContact O-N 2.99Å; Q207-Y209 VanDerWaalsContact C-N 3.26Å; Q207-Y209 PolarHBondContact O-N 3.01Å; Q207-K210 WeakPolarHBondContact O-CA 3.22Å; Q207-K210 PolarHBondContact O-N 2.79Å; Q207-F212 HydrophobicContact CG-CE1 4.32Å
208E90.4Very high92.6Very high38 Ų3846.1 Ų46.118%0.17821%0.213CC..Hα-helixtrans-63.2-33.2175-179.352.7-128.200112.4L29 A32 K33 K36 M204 I205 L206 K210L29-E208 HydrophobicContact CD1-CB 3.7Å; L29-E208 HydrophobicContact CD1-CG 3.96Å; A32-E208 HydrophobicContact CB-CB 4.37Å; A32-E208 HydrophobicContact CB-CG 4.12Å; K33-E208 WeakPolarHBondContact CE-OE2 3.04Å; K33-E208 VanDerWaalsContact CG-CD 3.41Å; K33-E208 HydrophobicContact CG-CG 3.82Å; K36-E208 PolarHBondContact NZ-O 2.95Å; K36-E208 IonicContact NZ-OE1 3.5Å; K36-E208 PolarHBondContact NZ-OE1 2.88Å; M204-E208 PolarHBondContact O-N 3.46Å; M204-E208 VanDerWaalsContact O-N 3.13Å; I205-E208 WeakPolarHBondContact O-CB 3.11Å; I205-E208 PolarHBondContact O-N 3.4Å; L206-E208 VanDerWaalsContact C-N 3.32Å; L206-E208 PolarHBondContact O-N 3.45Å; E208-K210 PolarHBondContact O-N 2.89Å
209Y90.7Very high92.8Very high41 Ų4149.4 Ų49.416%0.16122%0.222CC..THydrogen-bonded Turntrans-81.26.1171-72-81.1000113.6A32 K36 I205 L206 Q207 I211 V231 V232A32-Y209 HydrophobicContact CB-CE2 3.96Å; A32-Y209 PolarHBondContact O-OH 2.82Å; K36-Y209 HydrophobicContact CB-CE1 3.87Å; K36-Y209 HydrophobicContact CD-CE1 4.39Å; K36-Y209 HydrophobicContact CG-CE1 4.18Å; I205-Y209 HydrophobicContact CG2-CD2 4.26Å; I205-Y209 HydrophobicContact CG2-CE2 4.17Å; I205-Y209 VanDerWaalsContact O-CD2 3.28Å; I205-Y209 WeakPolarHBondContact O-CD2 3.28Å; I205-Y209 PolarHBondContact O-N 3Å; L206-Y209 CarbonylContact O-C 3.54Å; L206-Y209 PolarHBondContact O-N 3.43Å; L206-Y209 VanDerWaalsContact O-N 3.15Å; Q207-Y209 VanDerWaalsContact C-N 3.26Å; Q207-Y209 PolarHBondContact O-N 3.01Å; Y209-I211 PolarHBondContact O-N 3.13Å; Y209-V231 HydrophobicContact CD1-CG1 4.36Å; Y209-V231 HydrophobicContact CD2-CG1 3.64Å; Y209-V231 HydrophobicContact CE2-CG1 4.08Å; Y209-V231 HydrophobicContact CG-CG1 3.82Å; Y209-V232 HydrophobicContact CE1-CG2 3.74Å; Y209-V232 HydrophobicContact CE2-CG2 4.46Å; Y209-V232 VanDerWaalsContact CZ-CG2 3.5Å; Y209-V232 WeakPolarHBondContact OH-CG2 3.38Å
210K91.1Very high93Very high164 Ų16447.5 Ų47.571%0.71321%0.212SC*.THydrogen-bonded Turntrans58.931.2-175.5-54.1-177.1176.8-175.40113.1L206 Q207 E208 F212L206-K210 PolarHBondContact O-N 2.82Å; Q207-K210 WeakPolarHBondContact O-CA 3.22Å; Q207-K210 PolarHBondContact O-N 2.79Å; E208-K210 PolarHBondContact O-N 2.89Å; K210-F212 HydrophobicContact CB-CE2 4.36Å
211I92Very high93.1Very high15 Ų1544 Ų448%0.07720%0.199CC..  trans-101103.8179.7-54.1-176.6000108.6F178 Q180 L206 Y209 A214 V231F178-I211 HydrophobicContact CZ-CD1 3.83Å; Q180-I211 HydrophobicContact CG-CG2 4.17Å; L206-I211 CarbonylContact C-O 3.41Å; L206-I211 HydrophobicContact CB-CB 4.31Å; L206-I211 HydrophobicContact CD2-CB 4.26Å; L206-I211 HydrophobicContact CD2-CD1 4.32Å; L206-I211 HydrophobicContact CD2-CG2 4.24Å; L206-I211 WeakPolarHBondContact O-CB 3.32Å; L206-I211 PolarHBondContact O-N 2.96Å; Y209-I211 PolarHBondContact O-N 3.13Å; I211-A214 HydrophobicContact CG2-CB 3.88Å; I211-V231 HydrophobicContact CD1-CG1 4.11Å
212F92.5Very high93.2Very high128 Ų12843.9 Ų43.956%0.56120%0.199SC*.  trans-100.7-17-178.6-58.2-75.3000113.8G185 Q207 K210G185-F212 CarbonylContact C-O 3.59Å; G185-F212 WeakPolarHBondContact CA-O 3.31Å; Q207-F212 HydrophobicContact CG-CE1 4.32Å; K210-F212 HydrophobicContact CB-CE2 4.36Å
213N94.5Very high93.2Very high46 Ų4645.6 Ų45.625%0.24621%0.209CC..SBendtrans-128.7108.9-178.6-62.2-73.7000109.5K181 K182 T183 G184 G185K181-N213 HydrophobicContact CB-CB 4.25Å; K181-N213 PolarHBondContact N-O 3.05Å; K181-N213 VanDerWaalsContact O-CB 3.27Å; K181-N213 WeakPolarHBondContact O-CB 3.46Å; K182-N213 PolarHBondContact O-ND2 3.39Å; T183-N213 WeakPolarHBondContact CA-OD1 3.23Å; G184-N213 PolarHBondContact N-OD1 2.52Å; G185-N213 WeakPolarHBondContact CA-OD1 3.32Å; G185-N213 PolarHBondContact N-OD1 2.83Å; G185-N213 WeakPolarHBondContact O-CA 3.38Å
214A94.8Very high93.2Very high0 Ų043.8 Ų43.80%020%0.202CC..EExtended strand (participates in β ladder)trans-159.5155-179.100000112F178 K179 G185 L186 K187 I211F178-A214 HydrophobicContact CE2-CB 3.85Å; K179-A214 CarbonylContact O-C 3.53Å; K179-A214 WeakPolarHBondContact O-CA 3.21Å; G185-A214 PolarHBondContact O-N 3.45Å; G185-A214 VanDerWaalsContact O-N 3.11Å; L186-A214 WeakPolarHBondContact CA-O 3.33Å; L186-A214 HydrophobicContact CD2-CB 3.96Å; K187-A214 PolarHBondContact N-O 2.95Å; I211-A214 HydrophobicContact CG2-CB 3.88Å
215E95.3Very high93.2Very high32 Ų3244.7 Ų44.715%0.1521%0.208CC..EExtended strand (participates in β ladder)trans-110.5123.7167.3179.6161.2-136.900109.4Y177 F178 K179 K181 K187 I217Y177-E215 HydrophobicContact CE1-CG 4.33Å; F178-E215 WeakPolarHBondContact CA-O 3.39Å; K179-E215 PolarHBondContact N-O 3.38Å; K179-E215 PolarHBondContact O-N 2.77Å; K181-E215 HydrophobicContact CD-CB 4.39Å; K181-E215 WeakPolarHBondContact CE-OE2 3.15Å; K181-E215 VanDerWaalsContact NZ-CD 3.31Å; K181-E215 IonicContact NZ-OE1 3.1Å; K181-E215 IonicContact NZ-OE2 2.97Å; K181-E215 PolarHBondContact NZ-OE2 3.06Å; K187-E215 IonicContact NZ-OE1 3.34Å; K187-E215 PolarHBondContact NZ-OE1 3.45Å; K187-E215 WeakPolarHBondContact O-CA 3.43Å; E215-I217 HydrophobicContact CG-CD1 4.46Å; E215-I217 HydrophobicContact CG-CG1 4.28Å
216V95.8Very high93.3Very high1 Ų147.3 Ų47.31%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-119.4125.8177.7-172.20000108I176 Y177 F178 K187 I188 T189 T202 L206 F218 F227I176-V216 HydrophobicContact CG2-CG1 3.87Å; Y177-V216 CarbonylContact O-C 3.33Å; Y177-V216 VanDerWaalsContact O-CA 3.29Å; Y177-V216 WeakPolarHBondContact O-CA 3.37Å; F178-V216 HydrophobicContact CD2-CG2 4.12Å; K187-V216 PolarHBondContact O-N 3.41Å; I188-V216 WeakPolarHBondContact CA-O 3.36Å; I188-V216 HydrophobicContact CG1-CB 4.26Å; I188-V216 HydrophobicContact CG1-CG2 4.37Å; T189-V216 PolarHBondContact N-O 3.01Å; T202-V216 HydrophobicContact CG2-CG1 4.45Å; T202-V216 HydrophobicContact CG2-CG2 4.42Å; L206-V216 HydrophobicContact CD1-CG2 3.97Å; V216-F218 HydrophobicContact CG1-CD2 3.99Å; V216-F218 HydrophobicContact CG1-CE2 3.49Å; V216-F218 VanDerWaalsContact CG1-CE2 3.49Å; V216-F218 HydrophobicContact CG1-CZ 3.82Å; V216-F227 HydrophobicContact CG1-CD2 4.41Å; V216-F227 HydrophobicContact CG1-CE2 3.67Å; V216-F227 HydrophobicContact CG1-CZ 4.39Å; V216-F227 HydrophobicContact CG2-CE2 4.14Å; V216-F227 HydrophobicContact CG2-CZ 4.19Å
217I95.7Very high93.3Very high29 Ų2947.3 Ų47.315%0.14922%0.221CC..EExtended strand (participates in β ladder)trans-125.3112.6173.1-48.7170.3000108.7Y177 T189 M191 E215Y177-I217 HydrophobicContact CD1-CD1 3.87Å; Y177-I217 HydrophobicContact CD1-CG1 4.08Å; Y177-I217 HydrophobicContact CE1-CD1 4.47Å; Y177-I217 HydrophobicContact CG-CD1 4.44Å; Y177-I217 PolarHBondContact N-O 2.95Å; Y177-I217 PolarHBondContact O-N 2.98Å; T189-I217 VanDerWaalsContact O-CA 3.3Å; T189-I217 WeakPolarHBondContact O-CA 3.31Å; M191-I217 HydrophobicContact CE-CG2 4.13Å; M191-I217 HydrophobicContact CG-CG2 4.25Å; E215-I217 HydrophobicContact CG-CD1 4.46Å; E215-I217 HydrophobicContact CG-CG1 4.28Å
218F96Very high93.4Very high0 Ų042.9 Ų42.90%020%0.2CC..EExtended strand (participates in β ladder)trans-82.3122.3173.5-66.8-87.1000109.7I176 I188 T189 M191 L194 I197 T202 V216 F227I176-F218 HydrophobicContact CD1-CD1 4.06Å; I176-F218 HydrophobicContact CD1-CE1 3.84Å; I176-F218 HydrophobicContact CG1-CD1 3.97Å; I176-F218 HydrophobicContact CG1-CE1 4.23Å; I176-F218 HydrophobicContact CG2-CD1 4.1Å; I176-F218 HydrophobicContact CG2-CE1 4.12Å; I188-F218 HydrophobicContact CG2-CD2 4.25Å; I188-F218 HydrophobicContact CG2-CE2 3.9Å; T189-F218 PolarHBondContact O-N 2.8Å; M191-F218 PolarHBondContact N-O 3.24Å; L194-F218 HydrophobicContact CD1-CB 4.31Å; L194-F218 HydrophobicContact CD1-CD2 3.88Å; L194-F218 HydrophobicContact CD1-CE2 4.38Å; L194-F218 HydrophobicContact CD1-CG 4.05Å; L194-F218 HydrophobicContact CD2-CB 3.85Å; L194-F218 HydrophobicContact CD2-CD1 4.44Å; L194-F218 HydrophobicContact CD2-CG 4.14Å; I197-F218 HydrophobicContact CD1-CZ 4.22Å; I197-F218 HydrophobicContact CG2-CE1 4.08Å; I197-F218 HydrophobicContact CG2-CZ 4.24Å; T202-F218 HydrophobicContact CG2-CE2 4.07Å; T202-F218 HydrophobicContact CG2-CZ 4.02Å; V216-F218 HydrophobicContact CG1-CD2 3.99Å; V216-F218 HydrophobicContact CG1-CE2 3.49Å; V216-F218 VanDerWaalsContact CG1-CE2 3.49Å; V216-F218 HydrophobicContact CG1-CZ 3.82Å; F218-F227 HydrophobicContact CE1-CB 4.43Å; F218-F227 HydrophobicContact CE1-CD2 4.02Å; F218-F227 HydrophobicContact CE1-CG 4.41Å; F218-F227 AromaticContact CZ-CD2 3.84Å; F218-F227 HydrophobicContact CZ-CD2 3.84Å; F218-F227 HydrophobicContact CZ-CE2 4.21Å; F218-F227 HydrophobicContact CZ-CG 4.24Å
219R94.4Very high93.4Very high116 Ų11641.5 Ų41.544%0.43819%0.194SC..SBendtrans-105.2-2.1175.3-55.7178.2176.7170.1-4.4113N175 M191N175-R219 HydrophobicContact CB-CB 4.41Å; N175-R219 WeakPolarHBondContact O-CB 3.47Å; N175-R219 PolarHBondContact O-N 3.02Å; N175-R219 WeakPolarHBondContact OD1-CD 3.29Å; M191-R219 HydrophobicContact SD-CG 3.94Å
220E94.1Very high93.6Very high67 Ų6741.3 Ų41.331%0.31320%0.197SC..SBendtrans-148.4165.117869.3-170.2-169.500110P174 N175 S222P174-E220 WeakPolarHBondContact CA-OE1 3.34Å; N175-E220 HydrophobicContact CB-CG 4.35Å; N175-E220 WeakPolarHBondContact CB-OE2 3.37Å; N175-E220 VanDerWaalsContact N-CD 3.28Å; N175-E220 PolarHBondContact N-OE1 3.13Å; E220-S222 VanDerWaalsContact CG-OG 3.31Å; E220-S222 WeakPolarHBondContact CG-OG 3.4Å; E220-S222 PolarHBondContact O-N 3.33Å
221D93.9Very high93.6Very high42 Ų4234.4 Ų34.423%0.22517%0.168CC..  trans-80.981.1179.3-177.928.9000111T195 K196T195-D221 PolarHBondContact N-OD1 3.41Å; T195-D221 PolarHBondContact OG1-OD2 3.06Å; K196-D221 WeakPolarHBondContact CD-O 3.47Å; K196-D221 WeakPolarHBondContact CE-O 3.48Å; K196-D221 WeakPolarHBondContact CE-OD2 3.28Å; K196-D221 PolarHBondContact N-OD1 3.24Å; K196-D221 PolarHBondContact NZ-O 3.13Å; K196-D221 IonicContact NZ-OD2 2.73Å
222S92.6Very high93.4Very high0 Ų035.2 Ų35.20%017%0.174CC..  trans-85.7148.4-175.4-49.80000113.7I176 I197 E220 E226I176-S222 WeakPolarHBondContact CD1-OG 2.94Å; I197-S222 VanDerWaalsContact CG2-O 3.23Å; I197-S222 WeakPolarHBondContact CG2-O 3.38Å; E220-S222 VanDerWaalsContact CG-OG 3.31Å; E220-S222 WeakPolarHBondContact CG-OG 3.4Å; E220-S222 PolarHBondContact O-N 3.33Å; S222-E226 VanDerWaalsContact CA-OE2 3.24Å; S222-E226 WeakPolarHBondContact CA-OE2 3.44Å
223T93Very high93Very high37 Ų3730.6 Ų30.623%0.22716%0.162CC..  trans-78.5163.617261.10000112.5K196 D225 E226 F227K196-T223 HydrophobicContact CB-CG2 4.3Å; K196-T223 HydrophobicContact CD-CG2 3.62Å; T223-D225 PolarHBondContact O-N 3.45Å; T223-E226 PolarHBondContact N-OE2 3.31Å; T223-E226 PolarHBondContact O-N 2.97Å; T223-E226 WeakPolarHBondContact OG1-CB 3.34Å; T223-E226 VanDerWaalsContact OG1-CD 3.31Å; T223-E226 VanDerWaalsContact OG1-CG 3.28Å; T223-E226 WeakPolarHBondContact OG1-CG 3.35Å; T223-E226 PolarHBondContact OG1-N 3.07Å; T223-E226 PolarHBondContact OG1-OE2 3.14Å; T223-F227 PolarHBondContact O-N 3.15Å; T223-F227 VanDerWaalsContact O-N 3.07Å
224P92.2Very high92.5Very high20 Ų2031.1 Ų31.113%0.1318%0.178CC..Hα-helixtrans-56.3-36170-26.536.4000113.2K196 I197 M201 I205 F227 I228K196-P224 WeakPolarHBondContact O-CD 3.45Å; I197-P224 HydrophobicContact CG1-CG 4.39Å; M201-P224 HydrophobicContact CG-CG 4.45Å; I205-P224 HydrophobicContact CD1-CB 4.18Å; P224-F227 PolarHBondContact O-N 3.34Å; P224-I228 WeakPolarHBondContact O-CB 3.46Å; P224-I228 WeakPolarHBondContact O-CD1 3.11Å; P224-I228 WeakPolarHBondContact O-CG1 3.2Å; P224-I228 PolarHBondContact O-N 2.75Å
225D91.5Very high92.2Very high64 Ų6432.5 Ų32.534%0.34218%0.184SC..Hα-helixtrans-68.7-42.5-179.9-59.9-43.6000111.6K31 T223 F227 I228 D229K31-D225 VanDerWaalsContact CD-OD1 3.28Å; K31-D225 WeakPolarHBondContact CD-OD1 3.4Å; K31-D225 WeakPolarHBondContact CE-OD1 3.39Å; K31-D225 IonicContact NZ-OD1 2.63Å; K31-D225 PolarHBondContact NZ-OD1 3.04Å; K31-D225 IonicContact NZ-OD2 2.81Å; K31-D225 PolarHBondContact NZ-OD2 2.96Å; T223-D225 PolarHBondContact O-N 3.45Å; D225-F227 VanDerWaalsContact C-N 3.33Å; D225-F227 PolarHBondContact O-N 2.89Å; D225-I228 WeakPolarHBondContact O-CB 3.5Å; D225-I228 PolarHBondContact O-N 3.45Å; D225-D229 PolarHBondContact O-N 3.39Å
226E93.1Very high91.9Very high56 Ų5632.4 Ų32.426%0.26219%0.185SC..Hα-helixtrans-64-38.6175.3-74.1163163.400111.8P174 S222 T223 D229 V230P174-E226 HydrophobicContact CB-CB 4.08Å; P174-E226 HydrophobicContact CG-CB 3.65Å; P174-E226 HydrophobicContact CG-CG 3.88Å; S222-E226 VanDerWaalsContact CA-OE2 3.24Å; S222-E226 WeakPolarHBondContact CA-OE2 3.44Å; T223-E226 PolarHBondContact N-OE2 3.31Å; T223-E226 PolarHBondContact O-N 2.97Å; T223-E226 WeakPolarHBondContact OG1-CB 3.34Å; T223-E226 VanDerWaalsContact OG1-CD 3.31Å; T223-E226 VanDerWaalsContact OG1-CG 3.28Å; T223-E226 WeakPolarHBondContact OG1-CG 3.35Å; T223-E226 PolarHBondContact OG1-N 3.07Å; T223-E226 PolarHBondContact OG1-OE2 3.14Å; E226-D229 WeakPolarHBondContact O-CB 3.28Å; E226-D229 PolarHBondContact O-N 2.79Å; E226-V230 PolarHBondContact O-N 3.2Å
227F94.4Very high91.7Very high0 Ų034.5 Ų34.50%019%0.193CC..Hα-helixtrans-65.3-43.9173.2-179.5-116.6000111.9I176 I197 T202 I205 L206 V216 F218 T223 P224 D225 D229 V230 V231I176-F227 HydrophobicContact CD1-CB 4.23Å; I176-F227 HydrophobicContact CD1-CD2 4.2Å; I176-F227 HydrophobicContact CG2-CD2 4.27Å; I197-F227 HydrophobicContact CD1-CB 3.95Å; I197-F227 HydrophobicContact CD1-CD1 4.15Å; I197-F227 HydrophobicContact CD1-CG 4.18Å; T202-F227 HydrophobicContact CG2-CD1 4.25Å; T202-F227 HydrophobicContact CG2-CE1 3.56Å; T202-F227 HydrophobicContact CG2-CE2 4.04Å; T202-F227 HydrophobicContact CG2-CZ 3.44Å; T202-F227 VanDerWaalsContact CG2-CZ 3.44Å; I205-F227 HydrophobicContact CB-CD1 4.21Å; I205-F227 HydrophobicContact CB-CE1 4.04Å; I205-F227 HydrophobicContact CD1-CD1 3.93Å; I205-F227 HydrophobicContact CG2-CD1 3.87Å; I205-F227 HydrophobicContact CG2-CE1 3.8Å; L206-F227 HydrophobicContact CD1-CZ 4.12Å; L206-F227 HydrophobicContact CD2-CE1 4.26Å; L206-F227 HydrophobicContact CD2-CZ 3.8Å; L206-F227 HydrophobicContact CG-CE1 4.05Å; L206-F227 HydrophobicContact CG-CZ 3.82Å; V216-F227 HydrophobicContact CG1-CD2 4.41Å; V216-F227 HydrophobicContact CG1-CE2 3.67Å; V216-F227 HydrophobicContact CG1-CZ 4.39Å; V216-F227 HydrophobicContact CG2-CE2 4.14Å; V216-F227 HydrophobicContact CG2-CZ 4.19Å; F218-F227 HydrophobicContact CE1-CB 4.43Å; F218-F227 HydrophobicContact CE1-CD2 4.02Å; F218-F227 HydrophobicContact CE1-CG 4.41Å; F218-F227 AromaticContact CZ-CD2 3.84Å; F218-F227 HydrophobicContact CZ-CD2 3.84Å; F218-F227 HydrophobicContact CZ-CE2 4.21Å; F218-F227 HydrophobicContact CZ-CG 4.24Å; T223-F227 PolarHBondContact O-N 3.15Å; T223-F227 VanDerWaalsContact O-N 3.07Å; P224-F227 PolarHBondContact O-N 3.34Å; D225-F227 VanDerWaalsContact C-N 3.33Å; D225-F227 PolarHBondContact O-N 2.89Å; F227-D229 PolarHBondContact O-N 2.68Å; F227-V230 PolarHBondContact O-N 3.36Å; F227-V230 VanDerWaalsContact O-N 3.16Å; F227-V231 HydrophobicContact CD1-CG2 4.26Å; F227-V231 HydrophobicContact CD2-CG2 4.26Å; F227-V231 HydrophobicContact CE1-CG2 3.8Å; F227-V231 HydrophobicContact CE2-CG2 3.79Å; F227-V231 HydrophobicContact CG-CG2 4.48Å; F227-V231 HydrophobicContact CZ-CG2 3.54Å; F227-V231 WeakPolarHBondContact O-CG2 3.11Å; F227-V231 PolarHBondContact O-N 2.55Å
228I92.5Very high91.6Very high4 Ų433.9 Ų33.92%0.02119%0.19CC..Hα-helixtrans-58.2-39.9174.4-71.6161.8000110.6K31 A32 A35 I205 P224 D225 V230 V231 V232K31-I228 HydrophobicContact CB-CD1 3.87Å; A32-I228 HydrophobicContact CB-CD1 4.15Å; A32-I228 HydrophobicContact CB-CG1 4.37Å; A35-I228 HydrophobicContact CB-CG2 3.4Å; A35-I228 VanDerWaalsContact CB-CG2 3.4Å; I205-I228 HydrophobicContact CD1-CD1 4.36Å; I205-I228 HydrophobicContact CD1-CG1 4.19Å; I205-I228 HydrophobicContact CG2-CG1 3.82Å; P224-I228 WeakPolarHBondContact O-CB 3.46Å; P224-I228 WeakPolarHBondContact O-CD1 3.11Å; P224-I228 WeakPolarHBondContact O-CG1 3.2Å; P224-I228 PolarHBondContact O-N 2.75Å; D225-I228 WeakPolarHBondContact O-CB 3.5Å; D225-I228 PolarHBondContact O-N 3.45Å; I228-V230 VanDerWaalsContact C-N 3.32Å; I228-V230 PolarHBondContact O-N 2.91Å; I228-V231 PolarHBondContact O-N 2.7Å; I228-V232 HydrophobicContact CG2-CG2 3.98Å; I228-V232 WeakPolarHBondContact O-CB 3.31Å; I228-V232 VanDerWaalsContact O-CG2 3.29Å; I228-V232 WeakPolarHBondContact O-CG2 3.46Å; I228-V232 PolarHBondContact O-N 2.79Å
229D92.3Very high91.5Very high10 Ų1035.3 Ų35.35%0.05320%0.202CC..Hα-helixtrans-62.6-37177.7-75.7-23.3000113.1R168 D225 E226 F227 G233 R235R168-D229 IonicContact CZ-OD1 3.63Å; R168-D229 IonicContact CZ-OD2 3.65Å; R168-D229 IonicContact NE-OD1 2.67Å; R168-D229 IonicContact NE-OD2 3.65Å; R168-D229 PolarHBondContact NE-OD2 2.93Å; R168-D229 VanDerWaalsContact NH2-CG 3.34Å; R168-D229 IonicContact NH2-OD1 3.79Å; R168-D229 PolarHBondContact NH2-OD1 3.29Å; R168-D229 IonicContact NH2-OD2 3.3Å; R168-D229 PolarHBondContact NH2-OD2 3.36Å; D225-D229 PolarHBondContact O-N 3.39Å; E226-D229 WeakPolarHBondContact O-CB 3.28Å; E226-D229 PolarHBondContact O-N 2.79Å; F227-D229 PolarHBondContact O-N 2.68Å; D229-G233 PolarHBondContact O-N 3.27Å; D229-G233 VanDerWaalsContact O-N 3.08Å; D229-R235 HydrophobicContact CB-CG 3.91Å; D229-R235 WeakPolarHBondContact OD1-CD 3.12Å; D229-R235 IonicContact OD1-CZ 2.66Å; D229-R235 IonicContact OD1-NE 3.19Å; D229-R235 PolarHBondContact OD1-NE 3.36Å; D229-R235 IonicContact OD1-NH2 2.77Å
230V92.9Very high91.5Very high37 Ų3729.8 Ų29.822%0.22418%0.181CC..Hα-helixtrans-71.2-39.5174.6174.80000111.5P174 I176 F178 E226 F227 I228P174-V230 HydrophobicContact CB-CG2 4Å; P174-V230 HydrophobicContact CG-CG2 4.31Å; I176-V230 HydrophobicContact CB-CG1 4.41Å; I176-V230 HydrophobicContact CB-CG2 4.21Å; I176-V230 HydrophobicContact CD1-CG2 4.12Å; F178-V230 HydrophobicContact CB-CG1 3.71Å; F178-V230 HydrophobicContact CG-CG1 4.44Å; E226-V230 PolarHBondContact O-N 3.2Å; F227-V230 PolarHBondContact O-N 3.36Å; F227-V230 VanDerWaalsContact O-N 3.16Å; I228-V230 VanDerWaalsContact C-N 3.32Å; I228-V230 PolarHBondContact O-N 2.91Å
231V92.1Very high91.7Very high18 Ų1826.6 Ų26.611%0.10917%0.166CC..Hα-helixtrans-70.5-44.2-179.81740000112.1L206 Y209 I211 F227 I228 G233L206-V231 HydrophobicContact CD2-CG1 4.37Å; L206-V231 HydrophobicContact CD2-CG2 3.9Å; Y209-V231 HydrophobicContact CD1-CG1 4.36Å; Y209-V231 HydrophobicContact CD2-CG1 3.64Å; Y209-V231 HydrophobicContact CE2-CG1 4.08Å; Y209-V231 HydrophobicContact CG-CG1 3.82Å; I211-V231 HydrophobicContact CD1-CG1 4.11Å; F227-V231 HydrophobicContact CD1-CG2 4.26Å; F227-V231 HydrophobicContact CD2-CG2 4.26Å; F227-V231 HydrophobicContact CE1-CG2 3.8Å; F227-V231 HydrophobicContact CE2-CG2 3.79Å; F227-V231 HydrophobicContact CG-CG2 4.48Å; F227-V231 HydrophobicContact CZ-CG2 3.54Å; F227-V231 WeakPolarHBondContact O-CG2 3.11Å; F227-V231 PolarHBondContact O-N 2.55Å; I228-V231 PolarHBondContact O-N 2.7Å; V231-G233 VanDerWaalsContact C-N 3.35Å
232V87.2Confident91.8Very high33 Ų3325 Ų2520%0.216%0.157CC..Hα-helixtrans-69.1-37.5177.61780000110.8A35 Y209 I228A35-V232 HydrophobicContact CB-CG2 4.33Å; Y209-V232 HydrophobicContact CE1-CG2 3.74Å; Y209-V232 HydrophobicContact CE2-CG2 4.46Å; Y209-V232 VanDerWaalsContact CZ-CG2 3.5Å; Y209-V232 WeakPolarHBondContact OH-CG2 3.38Å; I228-V232 HydrophobicContact CG2-CG2 3.98Å; I228-V232 WeakPolarHBondContact O-CB 3.31Å; I228-V232 VanDerWaalsContact O-CG2 3.29Å; I228-V232 WeakPolarHBondContact O-CG2 3.46Å; I228-V232 PolarHBondContact O-N 2.79Å
233G85.4Confident92Very high30 Ų3025 Ų2531%0.30916%0.157SC..  trans66-174.5-171.400000112.6D229 V231 R235D229-G233 PolarHBondContact O-N 3.27Å; D229-G233 VanDerWaalsContact O-N 3.08Å; V231-G233 VanDerWaalsContact C-N 3.35Å; G233-R235 PolarHBondContact O-N 2.96Å
234G82.9Confident92.2Very high57 Ų5723.3 Ų23.359%0.58815%0.146SC*.  trans673.3175.100000116.1R137R137-G234 PolarHBondContact NH2-O 3.27Å
235R88.3Confident92.4Very high30 Ų3022.7 Ų22.711%0.11314%0.142CC..  trans-69.1140.2173.4-61.6-66.6-178.1-101.12.5110.8G166 D229 G233 Y237G166-R235 VanDerWaalsContact CA-CD 3.46Å; G166-R235 WeakPolarHBondContact O-CA 3.36Å; G166-R235 WeakPolarHBondContact O-CD 3.44Å; D229-R235 HydrophobicContact CB-CG 3.91Å; D229-R235 WeakPolarHBondContact OD1-CD 3.12Å; D229-R235 IonicContact OD1-CZ 2.66Å; D229-R235 IonicContact OD1-NE 3.19Å; D229-R235 PolarHBondContact OD1-NE 3.36Å; D229-R235 IonicContact OD1-NH2 2.77Å; G233-R235 PolarHBondContact O-N 2.96Å; R235-Y237 HydrophobicContact CB-CE2 3.8Å
236V89.7Confident92.6Very high29 Ų2921.7 Ų21.718%0.17614%0.135CC..EExtended strand (participates in β ladder)trans-106.4131.2177-1700000108.4R137 G166 I167 R168 L238R137-V236 HydrophobicContact CB-CG2 4.06Å; R137-V236 HydrophobicContact CG-CG2 3.94Å; G166-V236 PolarHBondContact O-N 2.69Å; I167-V236 CarbonylContact C-O 3.6Å; I167-V236 WeakPolarHBondContact CA-O 3.42Å; R168-V236 PolarHBondContact N-O 3.25Å; V236-L238 HydrophobicContact CG1-CD1 4.21Å; V236-L238 HydrophobicContact CG1-CD2 3.62Å; V236-L238 HydrophobicContact CG1-CG 3.75Å
237Y92.1Very high92.7Very high45 Ų4520.1 Ų20.118%0.17613%0.128CC..EExtended strand (participates in β ladder)trans-109.8114-179.6-66.5-102.3000107R168 K171 N172 R173 P174 R235R168-Y237 HydrophobicContact CB-CD1 3.61Å; R168-Y237 HydrophobicContact CB-CE1 3.81Å; R168-Y237 HydrophobicContact CB-CG 4.18Å; R168-Y237 HydrophobicContact CG-CD1 4.15Å; R168-Y237 HydrophobicContact CG-CE1 3.84Å; R168-Y237 WeakPolarHBondContact O-CA 3.29Å; K171-Y237 HydrophobicContact CB-CD1 4.24Å; K171-Y237 WeakPolarHBondContact O-CD1 3.49Å; N172-Y237 VanDerWaalsContact O-CE1 3.31Å; N172-Y237 WeakPolarHBondContact O-CE1 3.24Å; R173-Y237 HydrophobicContact CB-CE2 4.48Å; R173-Y237 HydrophobicContact CG-CD1 4.28Å; R173-Y237 HydrophobicContact CG-CD2 3.48Å; R173-Y237 VanDerWaalsContact CG-CD2 3.48Å; R173-Y237 HydrophobicContact CG-CE1 4.37Å; R173-Y237 HydrophobicContact CG-CE2 3.61Å; R173-Y237 HydrophobicContact CG-CG 3.84Å; P174-Y237 WeakPolarHBondContact CD-OH 3.42Å; R235-Y237 HydrophobicContact CB-CE2 3.8Å
238L92.3Very high92.7Very high16 Ų1623.4 Ų23.48%0.08415%0.145CC..EExtended strand (participates in β ladder)trans-123.6143.9-172.4-62.4-179.9000110.2A136 A139 V142 I167 R168 L169 N170 V236A136-L238 VanDerWaalsContact O-CD1 3.28Å; A136-L238 WeakPolarHBondContact O-CD1 3.34Å; A139-L238 WeakPolarHBondContact O-CD2 3.34Å; V142-L238 HydrophobicContact CG2-CB 4.45Å; V142-L238 HydrophobicContact CG2-CD1 3.93Å; I167-L238 HydrophobicContact CG2-CB 4.49Å; I167-L238 HydrophobicContact CG2-CD1 3.94Å; I167-L238 HydrophobicContact CG2-CG 4.31Å; R168-L238 PolarHBondContact O-N 3.34Å; L169-L238 CarbonylContact C-O 3.51Å; L169-L238 WeakPolarHBondContact CA-O 3.31Å; N170-L238 PolarHBondContact N-O 3.18Å; V236-L238 HydrophobicContact CG1-CD1 4.21Å; V236-L238 HydrophobicContact CG1-CD2 3.62Å; V236-L238 HydrophobicContact CG1-CG 3.75Å
239A94.1Very high92.8Very high30 Ų3028.8 Ų28.825%0.24817%0.17CC..EExtended strand (participates in β ladder)trans-66.5143.1164.100000109.2L141 V142L141-A239 WeakPolarHBondContact CA-O 3.42Å; L141-A239 HydrophobicContact CD1-CB 4.34Å; L141-A239 HydrophobicContact CG-CB 4.43Å; V142-A239 PolarHBondContact N-O 2.86Å
240C95.5Very high92.9Very high0 Ų030 Ų300%018%0.176CC..EExtended strand (participates in β ladder)trans-133.5128.3175.8-175.30000110.7V142 L169 N170 H263V142-C240 HydrophobicContact CB-CB 4.26Å; V142-C240 CarbonylContact O-C 3.55Å; V142-C240 WeakPolarHBondContact O-CA 3.41Å; V142-C240 PolarHBondContact O-SG 3.37Å; L169-C240 HydrophobicContact CB-CB 3.84Å; L169-C240 HydrophobicContact CD1-CB 4.24Å; L169-C240 HydrophobicContact CD2-CB 3.98Å; L169-C240 HydrophobicContact CG-CB 4.22Å; N170-C240 PolarHBondContact ND2-O 3.44Å; N170-C240 PolarHBondContact OD1-N 3.13Å; N170-C240 PolarHBondContact OD1-O 3.32Å; C240-H263 WeakPolarHBondContact O-CB 3.42Å
241L97Very high93Very high1 Ų131.1 Ų31.11%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-105.4118.2173.7-17562.2000108.4L141 V142 L143 M144 V243 V265 L278 K281 L282L141-L241 HydrophobicContact CD2-CB 4.31Å; V142-L241 PolarHBondContact O-N 3.05Å; L143-L241 HydrophobicContact CD1-CB 3.83Å; L143-L241 HydrophobicContact CD1-CD2 3.84Å; L143-L241 HydrophobicContact CD1-CG 4Å; M144-L241 PolarHBondContact N-O 3.37Å; L241-V243 HydrophobicContact CG-CG2 4.47Å; L241-V265 HydrophobicContact CD1-CG2 3.85Å; L241-V265 HydrophobicContact CD2-CG2 4.44Å; L241-V265 HydrophobicContact CG-CG2 4.38Å; L241-L278 HydrophobicContact CD2-CD1 3.79Å; L241-K281 HydrophobicContact CD1-CB 4.39Å; L241-K281 HydrophobicContact CD2-CB 4.12Å; L241-L282 HydrophobicContact CD2-CB 4.39Å
242Y96.6Very high93.2Very high9 Ų937 Ų374%0.03522%0.216CC..EExtended strand (participates in β ladder)trans-85.3120.7177.5-55.8-78000109.5M144 L146 R155 E159 H263 S264 V265M144-Y242 HydrophobicContact CB-CD1 4.05Å; M144-Y242 HydrophobicContact CE-CE1 4.19Å; M144-Y242 HydrophobicContact CG-CD1 4.31Å; M144-Y242 HydrophobicContact SD-CD1 3.74Å; M144-Y242 HydrophobicContact SD-CE1 3.72Å; L146-Y242 HydrophobicContact CD1-CD1 4.14Å; R155-Y242 HydrophobicContact CG-CD1 4.35Å; R155-Y242 HydrophobicContact CG-CE1 4.08Å; R155-Y242 PolarHBondContact NH2-OH 3.21Å; E159-Y242 HydrophobicContact CG-CE1 4.43Å; E159-Y242 WeakPolarHBondContact OE1-CE1 3.4Å; E159-Y242 VanDerWaalsContact OE1-CZ 3.23Å; E159-Y242 PolarHBondContact OE1-OH 3.4Å; Y242-H263 HydrophobicContact CD2-CB 4Å; Y242-H263 WeakPolarHBondContact CD2-O 3.32Å; Y242-H263 HydrophobicContact CE2-CB 4.19Å; Y242-H263 PolarHBondContact N-O 3.18Å; Y242-S264 CarbonylContact O-C 3.59Å; Y242-S264 WeakPolarHBondContact O-CA 3.4Å; Y242-V265 PolarHBondContact O-N 2.62Å
243V96.9Very high93.5Very high0 Ų042.1 Ų42.10%024%0.238CC..EExtended strand (participates in β ladder)trans-112.2102.7-178-176.70000109L143 M144 M145 L146 L241 N245 V265 V267 L278L143-V243 HydrophobicContact CD1-CG2 3.37Å; L143-V243 HydrophobicContact CG-CG2 3.88Å; M144-V243 PolarHBondContact O-N 3.39Å; M145-V243 WeakPolarHBondContact CA-O 3.45Å; L146-V243 PolarHBondContact N-O 3.28Å; L241-V243 HydrophobicContact CG-CG2 4.47Å; V243-N245 PolarHBondContact O-N 2.91Å; V243-V265 CarbonylContact C-O 3.57Å; V243-V265 WeakPolarHBondContact CA-O 3.28Å; V243-V267 HydrophobicContact CG1-CB 4.47Å; V243-V267 HydrophobicContact CG1-CG1 4.13Å; V243-V267 HydrophobicContact CG1-CG2 3.46Å; V243-V267 VanDerWaalsContact CG1-CG2 3.46Å; V243-L278 HydrophobicContact CG1-CD1 4.42Å; V243-L278 HydrophobicContact CG1-CD2 4.21Å; V243-L278 HydrophobicContact CG2-CD1 3.56Å; V243-L278 HydrophobicContact CG2-CD2 4.46Å
244Y97.1Very high93.9Very high0 Ų043.2 Ų43.20%024%0.235CC..EExtended strand (participates in β ladder)trans-84.2101.5176.1-64.9-78.1000109.6L146 P151 L258 Q261 V265 V266 V267L146-Y244 HydrophobicContact CB-CD1 3.74Å; L146-Y244 HydrophobicContact CB-CE1 3.98Å; L146-Y244 HydrophobicContact CD1-CD1 3.96Å; L146-Y244 HydrophobicContact CD1-CE1 3.38Å; L146-Y244 HydrophobicContact CG-CE1 4.33Å; P151-Y244 HydrophobicContact CB-CD1 3.78Å; P151-Y244 HydrophobicContact CB-CE1 3.34Å; Y244-L258 HydrophobicContact CD1-CD1 4.18Å; Y244-L258 HydrophobicContact CD1-CD2 4.17Å; Y244-L258 HydrophobicContact CD2-CB 4.17Å; Y244-L258 HydrophobicContact CD2-CD2 4.39Å; Y244-L258 HydrophobicContact CE1-CD2 4.01Å; Y244-L258 HydrophobicContact CE2-CD2 4.2Å; Y244-L258 HydrophobicContact CG-CB 4.41Å; Y244-L258 HydrophobicContact CG-CD1 4.1Å; Y244-L258 HydrophobicContact CG-CD2 4.36Å; Y244-Q261 PolarHBondContact OH-OE1 3.41Å; Y244-V265 PolarHBondContact N-O 2.96Å; Y244-V266 CarbonylContact O-C 3.55Å; Y244-V266 WeakPolarHBondContact O-CA 3.46Å; Y244-V267 PolarHBondContact O-N 2.74Å
245N96.7Very high94.5Very high8 Ų841.6 Ų41.64%0.04321%0.214CC..EExtended strand (participates in β ladder)trans-89166.1178.8-171.531.4000112V72 M145 L146 A148 V243 V267 C269V72-N245 PolarHBondContact O-ND2 2.82Å; M145-N245 HydrophobicContact CE-CB 3.49Å; M145-N245 VanDerWaalsContact CE-CB 3.49Å; M145-N245 VanDerWaalsContact CE-ND2 3.31Å; M145-N245 WeakPolarHBondContact CE-ND2 3.23Å; M145-N245 HydrophobicContact CG-CB 4.48Å; L146-N245 PolarHBondContact O-N 2.85Å; A148-N245 WeakPolarHBondContact CB-O 3.43Å; A148-N245 PolarHBondContact N-O 3.24Å; V243-N245 PolarHBondContact O-N 2.91Å; N245-V267 CarbonylContact C-O 3.57Å; N245-V267 VanDerWaalsContact CA-O 3.28Å; N245-V267 WeakPolarHBondContact CA-O 3.28Å; N245-V267 HydrophobicContact CB-CG2 4.01Å; N245-V267 PolarHBondContact OD1-O 2.77Å; N245-C269 PolarHBondContact OD1-N 2.9Å; N245-C269 PolarHBondContact OD1-SG 3.09Å; N245-C269 VanDerWaalsContact OD1-SG 3.42Å
246K95.3Very high94.9Very high43 Ų4343.2 Ų43.219%0.18723%0.225CC..  trans70.538.3-179.4-48.2-178.7-173.3170.10113.4S71 D147 D248 Q249 V267S71-K246 VanDerWaalsContact O-CE 3.3Å; S71-K246 WeakPolarHBondContact O-CE 3.45Å; S71-K246 PolarHBondContact O-NZ 3.2Å; D147-K246 WeakPolarHBondContact OD2-CD 3.47Å; D147-K246 WeakPolarHBondContact OD2-CE 3.45Å; D147-K246 IonicContact OD2-NZ 2.74Å; D147-K246 PolarHBondContact OD2-NZ 3.28Å; K246-D248 WeakPolarHBondContact CA-OD1 3.31Å; K246-D248 PolarHBondContact O-N 3.02Å; K246-D248 VanDerWaalsContact O-N 3.12Å; K246-Q249 HydrophobicContact CB-CG 4.25Å; K246-Q249 WeakPolarHBondContact O-CB 3.44Å; K246-Q249 PolarHBondContact O-N 2.84Å; K246-V267 PolarHBondContact N-O 3.08Å
247I96.1Very high95.1Very high23 Ų2346.7 Ų46.712%0.11823%0.234CC..G310 helixtrans-61.8-19.3177.265172.3000112.8Q249 I250 V255 V266 V267 L273I247-Q249 PolarHBondContact O-N 2.97Å; I247-I250 WeakPolarHBondContact O-CG1 3.4Å; I247-I250 PolarHBondContact O-N 2.93Å; I247-V255 HydrophobicContact CB-CG2 3.96Å; I247-V255 HydrophobicContact CG2-CG2 4.46Å; I247-V266 HydrophobicContact CG2-CB 3.7Å; I247-V266 HydrophobicContact CG2-CG1 4.5Å; I247-V267 WeakPolarHBondContact CG1-O 3.1Å; I247-V267 VanDerWaalsContact CG2-O 3.28Å; I247-V267 WeakPolarHBondContact CG2-O 3.43Å; I247-V267 PolarHBondContact N-O 2.86Å; I247-L273 HydrophobicContact CD1-CB 4.28Å; I247-L273 HydrophobicContact CD1-CD1 4.34Å
248D94.6Very high95.3Very high68 Ų6844.5 Ų44.536%0.36423%0.226SC..G310 helixtrans-64.3-13171.650.4-74.8000114.1K246 S268 L271K246-D248 WeakPolarHBondContact CA-OD1 3.31Å; K246-D248 PolarHBondContact O-N 3.02Å; K246-D248 VanDerWaalsContact O-N 3.12Å; D248-S268 WeakPolarHBondContact OD1-CB 3.47Å; D248-S268 PolarHBondContact OD1-OG 2.81Å; D248-L271 HydrophobicContact CB-CD1 3.73Å; D248-L271 HydrophobicContact CB-CG 4.44Å
249Q94.7Very high95.4Very high117 Ų11745.9 Ų45.955%0.54724%0.24SC..G310 helixtrans-105.91.2-177.6-56.7-174.44.400113.7T149 K246 I247T149-Q249 HydrophobicContact CG2-CB 3.84Å; K246-Q249 HydrophobicContact CB-CG 4.25Å; K246-Q249 WeakPolarHBondContact O-CB 3.44Å; K246-Q249 PolarHBondContact O-N 2.84Å; I247-Q249 PolarHBondContact O-N 2.97Å
250I94.1Very high95.4Very high35 Ų3553.1 Ų53.118%0.17926%0.261CS..SBendtrans-124.5162.3-178.857.6162.9000110.8A148 T149 I247 E254 V255 L258A148-I250 HydrophobicContact CB-CD1 3.8Å; A148-I250 HydrophobicContact CB-CG1 4.39Å; A148-I250 HydrophobicContact CB-CG2 4.47Å; T149-I250 HydrophobicContact CG2-CG2 4.09Å; I247-I250 WeakPolarHBondContact O-CG1 3.4Å; I247-I250 PolarHBondContact O-N 2.93Å; I250-E254 HydrophobicContact CB-CB 4.19Å; I250-E254 HydrophobicContact CB-CG 4.2Å; I250-E254 HydrophobicContact CD1-CB 4.03Å; I250-E254 HydrophobicContact CD1-CG 3.83Å; I250-V255 HydrophobicContact CD1-CB 4.38Å; I250-V255 HydrophobicContact CD1-CG2 3.59Å; I250-V255 HydrophobicContact CG1-CG2 3.68Å; I250-L258 HydrophobicContact CD1-CD1 3.89Å
251S95.5Very high95.4Very high61 Ų6154.9 Ų54.943%0.42727%0.269SS..  trans-71.1155.5178710000111.4Q253 E254 V255S251-Q253 VanDerWaalsContact CB-OE1 3.28Å; S251-Q253 PolarHBondContact O-N 3.5Å; S251-Q253 PolarHBondContact OG-OE1 3.27Å; S251-E254 WeakPolarHBondContact O-CB 3.41Å; S251-E254 PolarHBondContact O-N 2.93Å; S251-E254 PolarHBondContact OG-N 3.41Å; S251-V255 WeakPolarHBondContact O-CG2 3.32Å; S251-V255 PolarHBondContact O-N 3.44Å
252L94.4Very high95.3Very high141 Ų14159.1 Ų59.174%0.73830%0.296SS*.Hα-helixtrans-58-33.3176.8-17562.7000112.3E254 V255 D256L252-E254 VanDerWaalsContact C-N 3.3Å; L252-E254 PolarHBondContact O-N 3.17Å; L252-V255 PolarHBondContact O-N 3.03Å; L252-D256 WeakPolarHBondContact O-CB 3.35Å; L252-D256 PolarHBondContact O-N 3.39Å
253Q94.9Very high95.2Very high142 Ų14262.4 Ų62.466%0.66431%0.312SS*.Hα-helixtrans-62.7-38.1174.6-61.586.9-100111.9S251 R257S251-Q253 VanDerWaalsContact CB-OE1 3.28Å; S251-Q253 PolarHBondContact O-N 3.5Å; S251-Q253 PolarHBondContact OG-OE1 3.27Å; Q253-R257 WeakPolarHBondContact O-CB 3.33Å; Q253-R257 PolarHBondContact O-N 3.21Å
254E93.5Very high95.2Very high52 Ų5263 Ų6324%0.24332%0.316CS..Hα-helixtrans-75-37179.3-171.966.2174.600111.7I250 S251 L252 D256 R257 L258I250-E254 HydrophobicContact CB-CB 4.19Å; I250-E254 HydrophobicContact CB-CG 4.2Å; I250-E254 HydrophobicContact CD1-CB 4.03Å; I250-E254 HydrophobicContact CD1-CG 3.83Å; S251-E254 WeakPolarHBondContact O-CB 3.41Å; S251-E254 PolarHBondContact O-N 2.93Å; S251-E254 PolarHBondContact OG-N 3.41Å; L252-E254 VanDerWaalsContact C-N 3.3Å; L252-E254 PolarHBondContact O-N 3.17Å; E254-D256 VanDerWaalsContact C-N 3.31Å; E254-D256 PolarHBondContact O-N 3.03Å; E254-R257 VanDerWaalsContact CD-NE 3.3Å; E254-R257 PolarHBondContact O-N 3.36Å; E254-R257 IonicContact OE1-CZ 2.7Å; E254-R257 VanDerWaalsContact OE1-CZ 3.3Å; E254-R257 IonicContact OE1-NE 3.52Å; E254-R257 PolarHBondContact OE1-NE 3.43Å; E254-R257 IonicContact OE1-NH2 3.97Å; E254-R257 PolarHBondContact OE1-NH2 2.86Å; E254-R257 WeakPolarHBondContact OE2-CD 3.35Å; E254-R257 IonicContact OE2-CZ 3.67Å; E254-R257 IonicContact OE2-NE 2.88Å; E254-R257 PolarHBondContact OE2-NE 2.83Å; E254-R257 IonicContact OE2-NH2 3.84Å; E254-L258 WeakPolarHBondContact O-CG 3.16Å; E254-L258 PolarHBondContact O-N 2.87Å
255V95.6Very high95.2Very high23 Ų2363.1 Ų63.114%0.13932%0.317CS..Hα-helixtrans-57-48.8170.9178.20000110I247 I250 S251 L252 R257 L258 A259 V266I247-V255 HydrophobicContact CB-CG2 3.96Å; I247-V255 HydrophobicContact CG2-CG2 4.46Å; I250-V255 HydrophobicContact CD1-CB 4.38Å; I250-V255 HydrophobicContact CD1-CG2 3.59Å; I250-V255 HydrophobicContact CG1-CG2 3.68Å; S251-V255 WeakPolarHBondContact O-CG2 3.32Å; S251-V255 PolarHBondContact O-N 3.44Å; L252-V255 PolarHBondContact O-N 3.03Å; V255-R257 PolarHBondContact O-N 2.82Å; V255-L258 PolarHBondContact O-N 3.43Å; V255-A259 VanDerWaalsContact O-CB 3.28Å; V255-A259 WeakPolarHBondContact O-CB 3.39Å; V255-A259 PolarHBondContact O-N 3.06Å; V255-V266 HydrophobicContact CG1-CB 4.28Å; V255-V266 HydrophobicContact CG1-CG2 3.81Å
256D95.4Very high95.2Very high64 Ų6463.2 Ų63.234%0.34232%0.318SS..Hα-helixtrans-64.5-38.5179.8-174.146.4000112.2L252 E254 R260L252-D256 WeakPolarHBondContact O-CB 3.35Å; L252-D256 PolarHBondContact O-N 3.39Å; E254-D256 VanDerWaalsContact C-N 3.31Å; E254-D256 PolarHBondContact O-N 3.03Å; D256-R260 VanDerWaalsContact CG-NH1 3.28Å; D256-R260 WeakPolarHBondContact O-CG 3.28Å; D256-R260 PolarHBondContact O-N 3.45Å; D256-R260 IonicContact OD1-CZ 2.99Å; D256-R260 IonicContact OD1-NE 3.47Å; D256-R260 IonicContact OD1-NH1 3.19Å; D256-R260 IonicContact OD1-NH2 2.69Å; D256-R260 PolarHBondContact OD1-NH2 2.9Å; D256-R260 IonicContact OD2-CZ 2.9Å; D256-R260 IonicContact OD2-NH1 3.34Å; D256-R260 PolarHBondContact OD2-NH1 3.44Å; D256-R260 IonicContact OD2-NH2 2.71Å; D256-R260 PolarHBondContact OD2-NH2 3.09Å
257R95.7Very high95.3Very high102 Ų10261.2 Ų61.239%0.38531%0.309SS..Hα-helixtrans-60-49172.7-173.7-175.978.8103.8-0.6111.9Q253 E254 V255Q253-R257 WeakPolarHBondContact O-CB 3.33Å; Q253-R257 PolarHBondContact O-N 3.21Å; E254-R257 VanDerWaalsContact CD-NE 3.3Å; E254-R257 PolarHBondContact O-N 3.36Å; E254-R257 IonicContact OE1-CZ 2.7Å; E254-R257 VanDerWaalsContact OE1-CZ 3.3Å; E254-R257 IonicContact OE1-NE 3.52Å; E254-R257 PolarHBondContact OE1-NE 3.43Å; E254-R257 IonicContact OE1-NH2 3.97Å; E254-R257 PolarHBondContact OE1-NH2 2.86Å; E254-R257 WeakPolarHBondContact OE2-CD 3.35Å; E254-R257 IonicContact OE2-CZ 3.67Å; E254-R257 IonicContact OE2-NE 2.88Å; E254-R257 PolarHBondContact OE2-NE 2.83Å; E254-R257 IonicContact OE2-NH2 3.84Å; V255-R257 PolarHBondContact O-N 2.82Å
258L95.1Very high95.4Very high0 Ų060.1 Ų60.10%030%0.303CS..Hα-helixtrans-68.7-39.5-178.8-68.8176.1000112A148 P151 Y244 I250 E254 V255 R260 Q261 S264 V266A148-L258 HydrophobicContact CB-CD1 3.93Å; P151-L258 HydrophobicContact CB-CD2 3.75Å; P151-L258 HydrophobicContact CG-CD2 3.99Å; Y244-L258 HydrophobicContact CD1-CD1 4.18Å; Y244-L258 HydrophobicContact CD1-CD2 4.17Å; Y244-L258 HydrophobicContact CD2-CB 4.17Å; Y244-L258 HydrophobicContact CD2-CD2 4.39Å; Y244-L258 HydrophobicContact CE1-CD2 4.01Å; Y244-L258 HydrophobicContact CE2-CD2 4.2Å; Y244-L258 HydrophobicContact CG-CB 4.41Å; Y244-L258 HydrophobicContact CG-CD1 4.1Å; Y244-L258 HydrophobicContact CG-CD2 4.36Å; I250-L258 HydrophobicContact CD1-CD1 3.89Å; E254-L258 WeakPolarHBondContact O-CG 3.16Å; E254-L258 PolarHBondContact O-N 2.87Å; V255-L258 PolarHBondContact O-N 3.43Å; L258-R260 VanDerWaalsContact C-N 3.26Å; L258-R260 PolarHBondContact O-N 3.45Å; L258-Q261 WeakPolarHBondContact O-CB 3.45Å; L258-Q261 PolarHBondContact O-N 3.39Å; L258-Q261 VanDerWaalsContact O-N 3.16Å; L258-S264 WeakPolarHBondContact O-CB 3.44Å; L258-V266 HydrophobicContact CB-CG1 3.66Å
259A94.6Very high95.3Very high45 Ų4557.1 Ų57.137%0.37229%0.287SS..Hα-helixtrans-64-28.1179.600000113.4V255 V266V255-A259 VanDerWaalsContact O-CB 3.28Å; V255-A259 WeakPolarHBondContact O-CB 3.39Å; V255-A259 PolarHBondContact O-N 3.06Å; A259-V266 HydrophobicContact CB-CG1 4.02Å; A259-V266 HydrophobicContact CB-CG2 3.89Å
260R94.8Very high95.1Very high182 Ų18257.5 Ų57.569%0.68729%0.293SS*.THydrogen-bonded Turntrans-83.3-7177-70.5-172.6-171.3116.58.2114.5D256 L258D256-R260 VanDerWaalsContact CG-NH1 3.28Å; D256-R260 WeakPolarHBondContact O-CG 3.28Å; D256-R260 PolarHBondContact O-N 3.45Å; D256-R260 IonicContact OD1-CZ 2.99Å; D256-R260 IonicContact OD1-NE 3.47Å; D256-R260 IonicContact OD1-NH1 3.19Å; D256-R260 IonicContact OD1-NH2 2.69Å; D256-R260 PolarHBondContact OD1-NH2 2.9Å; D256-R260 IonicContact OD2-CZ 2.9Å; D256-R260 IonicContact OD2-NH1 3.34Å; D256-R260 PolarHBondContact OD2-NH1 3.44Å; D256-R260 IonicContact OD2-NH2 2.71Å; D256-R260 PolarHBondContact OD2-NH2 3.09Å; L258-R260 VanDerWaalsContact C-N 3.26Å; L258-R260 PolarHBondContact O-N 3.45Å
261Q94.9Very high95.1Very high37 Ų3760.6 Ų60.617%0.17331%0.31CS..SBendtrans-68.7148.4176.2-67.1-1728.700110.9Y244 L258 S264Y244-Q261 PolarHBondContact OH-OE1 3.41Å; L258-Q261 WeakPolarHBondContact O-CB 3.45Å; L258-Q261 PolarHBondContact O-N 3.39Å; L258-Q261 VanDerWaalsContact O-N 3.16Å; Q261-S264 VanDerWaalsContact CB-OG 3.29Å; Q261-S264 WeakPolarHBondContact CB-OG 3.37Å; Q261-S264 VanDerWaalsContact O-CB 3.31Å; Q261-S264 WeakPolarHBondContact O-CB 3.5Å; Q261-S264 PolarHBondContact O-N 3.23Å; Q261-S264 PolarHBondContact O-OG 3.35Å
262P94.8Very high95Very high89 Ų8965 Ų6558%0.57832%0.321SS*.THydrogen-bonded Turntrans-61.5143.7177.326.4-34.7000110.8S264P262-S264 PolarHBondContact O-N 3.31Å; P262-S264 VanDerWaalsContact O-N 3.12Å; P262-S264 PolarHBondContact O-OG 2.87Å
263H95.4Very high95Very high79 Ų7962.1 Ų62.137%0.36631%0.306SS..THydrogen-bonded Turntrans52.831.1179.5-50.1-70.8000114.1C240 Y242 H285C240-H263 WeakPolarHBondContact O-CB 3.42Å; Y242-H263 HydrophobicContact CD2-CB 4Å; Y242-H263 WeakPolarHBondContact CD2-O 3.32Å; Y242-H263 HydrophobicContact CE2-CB 4.19Å; Y242-H263 PolarHBondContact N-O 3.18Å; H263-H285 AromaticContact CG-NE2 3.98Å; H263-H285 AromaticContact ND1-CD2 3.72Å; H263-H285 AromaticContact ND1-NE2 3.13Å; H263-H285 PolarHBondContact ND1-NE2 2.8Å; H263-H285 VanDerWaalsContact ND1-NE2 3.13Å
264S96.5Very high95Very high12 Ų1258 Ų588%0.08429%0.288CS..EExtended strand (participates in β ladder)trans-116.9140-172.9-59.40000112Y242 L258 Q261 P262Y242-S264 CarbonylContact O-C 3.59Å; Y242-S264 WeakPolarHBondContact O-CA 3.4Å; L258-S264 WeakPolarHBondContact O-CB 3.44Å; Q261-S264 VanDerWaalsContact CB-OG 3.29Å; Q261-S264 WeakPolarHBondContact CB-OG 3.37Å; Q261-S264 VanDerWaalsContact O-CB 3.31Å; Q261-S264 WeakPolarHBondContact O-CB 3.5Å; Q261-S264 PolarHBondContact O-N 3.23Å; Q261-S264 PolarHBondContact O-OG 3.35Å; P262-S264 PolarHBondContact O-N 3.31Å; P262-S264 VanDerWaalsContact O-N 3.12Å; P262-S264 PolarHBondContact O-OG 2.87Å
265V97Very high95.1Very high2 Ų256.4 Ų56.41%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-132.6134.6173.1179.90000108.2L241 Y242 V243 Y244 V267 Y277 L278 K281L241-V265 HydrophobicContact CD1-CG2 3.85Å; L241-V265 HydrophobicContact CD2-CG2 4.44Å; L241-V265 HydrophobicContact CG-CG2 4.38Å; Y242-V265 PolarHBondContact O-N 2.62Å; V243-V265 CarbonylContact C-O 3.57Å; V243-V265 WeakPolarHBondContact CA-O 3.28Å; Y244-V265 PolarHBondContact N-O 2.96Å; V265-V267 HydrophobicContact CG1-CG1 3.9Å; V265-Y277 HydrophobicContact CG1-CD1 3.98Å; V265-Y277 HydrophobicContact CG1-CE1 4.43Å; V265-Y277 HydrophobicContact CG2-CD1 4.5Å; V265-Y277 HydrophobicContact CG2-CE1 4.33Å; V265-L278 HydrophobicContact CB-CD1 4.21Å; V265-L278 HydrophobicContact CG1-CB 4.11Å; V265-L278 HydrophobicContact CG1-CD1 4.14Å; V265-L278 HydrophobicContact CG2-CD1 4.42Å; V265-K281 HydrophobicContact CG2-CB 3.89Å; V265-K281 HydrophobicContact CG2-CG 3.88Å
266V97.2Very high95.1Very high11 Ų1160.8 Ų60.87%0.06730%0.304CS..EExtended strand (participates in β ladder)trans-101.6131.5178.1-64.90000108.7Y244 I247 V255 L258 A259 N274Y244-V266 CarbonylContact O-C 3.55Å; Y244-V266 WeakPolarHBondContact O-CA 3.46Å; I247-V266 HydrophobicContact CG2-CB 3.7Å; I247-V266 HydrophobicContact CG2-CG1 4.5Å; V255-V266 HydrophobicContact CG1-CB 4.28Å; V255-V266 HydrophobicContact CG1-CG2 3.81Å; L258-V266 HydrophobicContact CB-CG1 3.66Å; A259-V266 HydrophobicContact CB-CG1 4.02Å; A259-V266 HydrophobicContact CB-CG2 3.89Å; V266-N274 WeakPolarHBondContact O-CB 3.44Å; V266-N274 PolarHBondContact O-ND2 2.74Å
267V97.4Very high95.1Very high0 Ų062 Ų620%031%0.305CS..  trans-140.6158.1-177.5-58.10000111.8V243 Y244 N245 K246 I247 V265 N274 L275 L278V243-V267 HydrophobicContact CG1-CB 4.47Å; V243-V267 HydrophobicContact CG1-CG1 4.13Å; V243-V267 HydrophobicContact CG1-CG2 3.46Å; V243-V267 VanDerWaalsContact CG1-CG2 3.46Å; Y244-V267 PolarHBondContact O-N 2.74Å; N245-V267 CarbonylContact C-O 3.57Å; N245-V267 VanDerWaalsContact CA-O 3.28Å; N245-V267 WeakPolarHBondContact CA-O 3.28Å; N245-V267 HydrophobicContact CB-CG2 4.01Å; N245-V267 PolarHBondContact OD1-O 2.77Å; K246-V267 PolarHBondContact N-O 3.08Å; I247-V267 WeakPolarHBondContact CG1-O 3.1Å; I247-V267 VanDerWaalsContact CG2-O 3.28Å; I247-V267 WeakPolarHBondContact CG2-O 3.43Å; I247-V267 PolarHBondContact N-O 2.86Å; V265-V267 HydrophobicContact CG1-CG1 3.9Å; V267-N274 HydrophobicContact CG1-CB 4.39Å; V267-L275 HydrophobicContact CB-CD2 4.27Å; V267-L275 HydrophobicContact CG1-CD2 4.38Å; V267-L278 HydrophobicContact CG1-CB 4.22Å; V267-L278 HydrophobicContact CG1-CD2 4.22Å
268S96.5Very high95.1Very high0 Ų057.2 Ų57.20%029%0.287CS..BIsolated β-bridgetrans-122104.1159.3179.50000107.9D248 N270 L271 K272 L273D248-S268 WeakPolarHBondContact OD1-CB 3.47Å; D248-S268 PolarHBondContact OD1-OG 2.81Å; S268-N270 PolarHBondContact O-N 3.36Å; S268-L271 PolarHBondContact O-N 3.16Å; S268-L271 PolarHBondContact OG-N 3.38Å; S268-K272 CarbonylContact O-C 3.16Å; S268-K272 VanDerWaalsContact O-CA 3.27Å; S268-K272 WeakPolarHBondContact O-CA 3.13Å; S268-K272 PolarHBondContact O-N 2.87Å; S268-L273 PolarHBondContact N-O 3.42Å; S268-L273 PolarHBondContact O-N 3.43Å
269C93.1Very high95.1Very high5 Ų558.6 Ų58.63%0.03429%0.294CS..THydrogen-bonded Turntrans-63.6-30.1175.6-60.10000111.8T76 M145 N245T76-C269 HydrophobicContact CG2-CB 3.84Å; M145-C269 WeakPolarHBondContact CE-SG 3.36Å; N245-C269 PolarHBondContact OD1-N 2.9Å; N245-C269 PolarHBondContact OD1-SG 3.09Å; N245-C269 VanDerWaalsContact OD1-SG 3.42Å
270N91Very high95.1Very high125 Ų12560.4 Ų60.467%0.66830%0.295SS*.THydrogen-bonded Turntrans-69.9-46.9179.6-172.236.2000111.5S268 K272S268-N270 PolarHBondContact O-N 3.36Å; N270-K272 VanDerWaalsContact C-N 3.3Å
271L93.6Very high95.1Very high100 Ų10054.4 Ų54.452%0.52427%0.274SS..THydrogen-bonded Turntrans-87.92.3178.4-59.2-177.2000113.3D248 S268 L273D248-L271 HydrophobicContact CB-CD1 3.73Å; D248-L271 HydrophobicContact CB-CG 4.44Å; S268-L271 PolarHBondContact O-N 3.16Å; S268-L271 PolarHBondContact OG-N 3.38Å; L271-L273 HydrophobicContact CB-CD1 3.95Å; L271-L273 HydrophobicContact CB-CG 3.77Å; L271-L273 HydrophobicContact CD1-CD1 4.04Å; L271-L273 PolarHBondContact O-N 2.83Å
272K93.1Very high95.1Very high154 Ų15452.7 Ų52.767%0.6727%0.266SS*.THydrogen-bonded Turntrans51.538-173.9-58.8-175.2178.3-175.80113.8S268 N270 L275S268-K272 CarbonylContact O-C 3.16Å; S268-K272 VanDerWaalsContact O-CA 3.27Å; S268-K272 WeakPolarHBondContact O-CA 3.13Å; S268-K272 PolarHBondContact O-N 2.87Å; N270-K272 VanDerWaalsContact C-N 3.3Å; K272-L275 HydrophobicContact CB-CD1 4.08Å; K272-L275 HydrophobicContact CG-CD1 4.33Å
273L95.2Very high95.1Very high81 Ų8149.2 Ų49.242%0.42424%0.241SC..BIsolated β-bridgetrans-88.1135.2179.6-60.5176.3000111.2I247 S268 L271 L275I247-L273 HydrophobicContact CD1-CB 4.28Å; I247-L273 HydrophobicContact CD1-CD1 4.34Å; S268-L273 PolarHBondContact N-O 3.42Å; S268-L273 PolarHBondContact O-N 3.43Å; L271-L273 HydrophobicContact CB-CD1 3.95Å; L271-L273 HydrophobicContact CB-CG 3.77Å; L271-L273 HydrophobicContact CD1-CD1 4.04Å; L271-L273 PolarHBondContact O-N 2.83Å; L273-L275 PolarHBondContact O-N 2.81Å
274N95.6Very high94.9Very high54 Ų5449.2 Ų49.229%0.28924%0.244SC..SBendtrans63.620170.9-14940.3000115.2V266 V267 D276 Y277 L278V266-N274 WeakPolarHBondContact O-CB 3.44Å; V266-N274 PolarHBondContact O-ND2 2.74Å; V267-N274 HydrophobicContact CG1-CB 4.39Å; N274-D276 WeakPolarHBondContact CA-OD1 3.43Å; N274-Y277 WeakPolarHBondContact OD1-CB 3.45Å; N274-L278 PolarHBondContact O-N 3.37Å; N274-L278 VanDerWaalsContact O-N 3.08Å
275L95Very high94.8Very high19 Ų1950.9 Ų50.910%0.09925%0.25CS..Hα-helixtrans-72.2-31.5178.6-62.4-176.3000112.4L77 L81 V267 K272 L273 L278 L279L77-L275 HydrophobicContact CD1-CD2 3.91Å; L81-L275 HydrophobicContact CD2-CB 4.28Å; V267-L275 HydrophobicContact CB-CD2 4.27Å; V267-L275 HydrophobicContact CG1-CD2 4.38Å; K272-L275 HydrophobicContact CB-CD1 4.08Å; K272-L275 HydrophobicContact CG-CD1 4.33Å; L273-L275 PolarHBondContact O-N 2.81Å; L275-L278 WeakPolarHBondContact O-CB 3.41Å; L275-L278 PolarHBondContact O-N 3.44Å; L275-L279 WeakPolarHBondContact O-CG 3.5Å; L275-L279 PolarHBondContact O-N 2.89Å; L275-L279 VanDerWaalsContact O-N 3.09Å
276D94.6Very high94.6Very high116 Ų11651.6 Ų51.662%0.6225%0.254SS*.Hα-helixtrans-62.8-49.2172.254.8-22000111.9N274 L278 L279 E280N274-D276 WeakPolarHBondContact CA-OD1 3.43Å; D276-L278 VanDerWaalsContact C-N 3.29Å; D276-L278 PolarHBondContact O-N 2.97Å; D276-L279 WeakPolarHBondContact O-CB 3.27Å; D276-L279 PolarHBondContact O-N 3.04Å; D276-L279 VanDerWaalsContact O-N 3.16Å; D276-E280 PolarHBondContact O-N 2.8Å
277Y95.9Very high94.3Very high89 Ų8955.3 Ų55.335%0.34927%0.273SS..Hα-helixtrans-65.2-33.6175.1-176.9-111.3000112.2V265 N274 E280 K281V265-Y277 HydrophobicContact CG1-CD1 3.98Å; V265-Y277 HydrophobicContact CG1-CE1 4.43Å; V265-Y277 HydrophobicContact CG2-CD1 4.5Å; V265-Y277 HydrophobicContact CG2-CE1 4.33Å; N274-Y277 WeakPolarHBondContact OD1-CB 3.45Å; Y277-E280 PolarHBondContact O-N 3.27Å; Y277-K281 HydrophobicContact CD1-CG 4.28Å; Y277-K281 HydrophobicContact CE1-CG 3.91Å; Y277-K281 HydrophobicContact CE2-CG 4.19Å; Y277-K281 WeakPolarHBondContact O-CB 3.43Å; Y277-K281 WeakPolarHBondContact O-CG 3.47Å; Y277-K281 PolarHBondContact O-N 2.82Å; Y277-K281 WeakPolarHBondContact OH-CE 3.19Å
278L96.3Very high94Very high1 Ų155.8 Ų55.81%0.00528%0.276CS..Hα-helixtrans-60.1-44.5171.6174.662.2000111.6L77 L81 L143 L241 V243 V265 V267 N274 L275 D276 K281 L282L77-L278 HydrophobicContact CD1-CD2 3.73Å; L77-L278 HydrophobicContact CD2-CD2 4.34Å; L81-L278 HydrophobicContact CD1-CD2 4.09Å; L143-L278 HydrophobicContact CD1-CD1 4.27Å; L241-L278 HydrophobicContact CD2-CD1 3.79Å; V243-L278 HydrophobicContact CG1-CD1 4.42Å; V243-L278 HydrophobicContact CG1-CD2 4.21Å; V243-L278 HydrophobicContact CG2-CD1 3.56Å; V243-L278 HydrophobicContact CG2-CD2 4.46Å; V265-L278 HydrophobicContact CB-CD1 4.21Å; V265-L278 HydrophobicContact CG1-CB 4.11Å; V265-L278 HydrophobicContact CG1-CD1 4.14Å; V265-L278 HydrophobicContact CG2-CD1 4.42Å; V267-L278 HydrophobicContact CG1-CB 4.22Å; V267-L278 HydrophobicContact CG1-CD2 4.22Å; N274-L278 PolarHBondContact O-N 3.37Å; N274-L278 VanDerWaalsContact O-N 3.08Å; L275-L278 WeakPolarHBondContact O-CB 3.41Å; L275-L278 PolarHBondContact O-N 3.44Å; D276-L278 VanDerWaalsContact C-N 3.29Å; D276-L278 PolarHBondContact O-N 2.97Å; L278-K281 PolarHBondContact O-N 2.84Å; L278-L282 VanDerWaalsContact O-CB 3.27Å; L278-L282 WeakPolarHBondContact O-CB 3.39Å; L278-L282 PolarHBondContact O-N 3.34Å
279L94.9Very high93.7Very high30 Ų3056 Ų5616%0.15728%0.277CS..Hα-helixtrans-64.5-40.6176.7-72.5172.1000112.1L81 I103 Y105 L275 D276 L282 W283L81-L279 HydrophobicContact CD1-CD2 4.37Å; L81-L279 HydrophobicContact CD2-CD1 4.19Å; L81-L279 HydrophobicContact CD2-CD2 4.06Å; L81-L279 HydrophobicContact CD2-CG 4Å; I103-L279 HydrophobicContact CD1-CD2 4.47Å; I103-L279 HydrophobicContact CG2-CD2 3.6Å; Y105-L279 HydrophobicContact CD2-CB 3.83Å; Y105-L279 HydrophobicContact CD2-CD1 4.02Å; Y105-L279 HydrophobicContact CD2-CG 4.38Å; Y105-L279 HydrophobicContact CE2-CB 3.64Å; Y105-L279 HydrophobicContact CE2-CD1 4.25Å; Y105-L279 HydrophobicContact CG-CB 4.39Å; L275-L279 WeakPolarHBondContact O-CG 3.5Å; L275-L279 PolarHBondContact O-N 2.89Å; L275-L279 VanDerWaalsContact O-N 3.09Å; D276-L279 WeakPolarHBondContact O-CB 3.27Å; D276-L279 PolarHBondContact O-N 3.04Å; D276-L279 VanDerWaalsContact O-N 3.16Å; L279-L282 PolarHBondContact O-N 2.79Å; L279-W283 PolarHBondContact O-N 2.82Å
280E94.7Very high93.6Very high83 Ų8357 Ų5739%0.38828%0.281SS..Hα-helixtrans-60.1-48.3174.2-173.2-176.7170.700111.2D276 Y277 L282 W283 D284D276-E280 PolarHBondContact O-N 2.8Å; Y277-E280 PolarHBondContact O-N 3.27Å; E280-L282 VanDerWaalsContact C-N 3.34Å; E280-L282 PolarHBondContact O-N 3.5Å; E280-W283 WeakPolarHBondContact O-CB 3.37Å; E280-W283 PolarHBondContact O-N 2.71Å; E280-D284 PolarHBondContact O-N 3.04Å
281K95.4Very high93.6Very high56 Ų5651 Ų5124%0.24325%0.249CC..Hα-helixtrans-66.4-34.8177.4-72.6-64.1173.7-152.40113.3L241 V265 Y277 L278 D284 H285L241-K281 HydrophobicContact CD1-CB 4.39Å; L241-K281 HydrophobicContact CD2-CB 4.12Å; V265-K281 HydrophobicContact CG2-CB 3.89Å; V265-K281 HydrophobicContact CG2-CG 3.88Å; Y277-K281 HydrophobicContact CD1-CG 4.28Å; Y277-K281 HydrophobicContact CE1-CG 3.91Å; Y277-K281 HydrophobicContact CE2-CG 4.19Å; Y277-K281 WeakPolarHBondContact O-CB 3.43Å; Y277-K281 WeakPolarHBondContact O-CG 3.47Å; Y277-K281 PolarHBondContact O-N 2.82Å; Y277-K281 WeakPolarHBondContact OH-CE 3.19Å; L278-K281 PolarHBondContact O-N 2.84Å; K281-D284 IonicContact NZ-OD2 3.63Å; K281-D284 PolarHBondContact O-N 2.87Å; K281-H285 PolarHBondContact O-N 2.83Å; K281-H285 PolarHBondContact O-ND1 2.65Å
282L94.9Very high93.7Very high1 Ų147 Ų471%0.00523%0.227CC..Hα-helixtrans-61.8-46174.4-176.367.2000110.6V64 I103 L141 L143 L241 L278 L279 E280 H285 L286V64-L282 HydrophobicContact CG1-CD1 4.18Å; V64-L282 HydrophobicContact CG2-CD1 4Å; I103-L282 HydrophobicContact CD1-CD2 4.23Å; L141-L282 HydrophobicContact CD1-CD1 4.14Å; L141-L282 HydrophobicContact CD2-CD1 3.62Å; L141-L282 HydrophobicContact CG-CD1 4.5Å; L143-L282 HydrophobicContact CD1-CD1 4.35Å; L241-L282 HydrophobicContact CD2-CB 4.39Å; L278-L282 VanDerWaalsContact O-CB 3.27Å; L278-L282 WeakPolarHBondContact O-CB 3.39Å; L278-L282 PolarHBondContact O-N 3.34Å; L279-L282 PolarHBondContact O-N 2.79Å; E280-L282 VanDerWaalsContact C-N 3.34Å; E280-L282 PolarHBondContact O-N 3.5Å; L282-H285 PolarHBondContact O-N 2.82Å; L282-L286 HydrophobicContact CG-CD1 4.16Å; L282-L286 WeakPolarHBondContact O-CB 3.43Å; L282-L286 VanDerWaalsContact O-CG 3.31Å; L282-L286 WeakPolarHBondContact O-CG 3.34Å; L282-L286 PolarHBondContact O-N 2.82Å
283W93.2Very high93.6Very high15 Ų1541.7 Ų41.76%0.05721%0.208CC..Hα-helixtrans-57.4-48.9175.4177.8-90.5000112.2Y105 K106 A108 L279 E280 H285 L286 N287 L288 V307Y105-W283 HydrophobicContact CD1-CB 3.96Å; Y105-W283 HydrophobicContact CD1-CD2 4.24Å; Y105-W283 AromaticContact CD1-CE3 3.86Å; Y105-W283 HydrophobicContact CD1-CE3 3.86Å; Y105-W283 HydrophobicContact CD1-CG 4.3Å; Y105-W283 HydrophobicContact CE1-CB 3.74Å; Y105-W283 HydrophobicContact CE1-CD2 4.43Å; Y105-W283 HydrophobicContact CE1-CE3 4.49Å; Y105-W283 HydrophobicContact CE1-CG 4.12Å; Y105-W283 WeakPolarHBondContact O-CZ3 3.46Å; K106-W283 HydrophobicContact CB-CE3 4.29Å; K106-W283 HydrophobicContact CB-CH2 4.01Å; K106-W283 HydrophobicContact CB-CZ2 4.34Å; K106-W283 HydrophobicContact CB-CZ3 3.97Å; K106-W283 HydrophobicContact CD-CD2 4.09Å; K106-W283 HydrophobicContact CD-CG 4.32Å; K106-W283 HydrophobicContact CD-CZ2 4.45Å; A108-W283 HydrophobicContact CB-CH2 4.17Å; A108-W283 HydrophobicContact CB-CZ3 3.53Å; L279-W283 PolarHBondContact O-N 2.82Å; E280-W283 WeakPolarHBondContact O-CB 3.37Å; E280-W283 PolarHBondContact O-N 2.71Å; W283-H285 VanDerWaalsContact C-N 3.35Å; W283-H285 PolarHBondContact O-N 3.27Å; W283-L286 PolarHBondContact O-N 2.73Å; W283-N287 PolarHBondContact O-N 2.91Å; W283-L288 HydrophobicContact CE3-CD1 4.39Å; W283-L288 HydrophobicContact CH2-CB 4.24Å; W283-L288 HydrophobicContact CZ2-CB 4.3Å; W283-L288 HydrophobicContact CZ3-CD1 4.13Å; W283-V307 HydrophobicContact CH2-CG1 4.22Å; W283-V307 HydrophobicContact CH2-CG2 4.46Å
284D92.9Very high93.5Very high79 Ų7939.8 Ų39.842%0.42220%0.196SC..Hα-helixtrans-59.8-44.1179.8-68.2-14.3000111.9E280 K281 N287E280-D284 PolarHBondContact O-N 3.04Å; K281-D284 IonicContact NZ-OD2 3.63Å; K281-D284 PolarHBondContact O-N 2.87Å; D284-N287 PolarHBondContact O-N 2.9Å
285H93.6Very high93.3Very high48 Ų4844.1 Ų44.122%0.22221%0.213CC..Hα-helixtrans-75-26.9-178.3-73.875.4000113.3L141 H263 K281 L282 W283 N287L141-H285 HydrophobicContact CD1-CB 3.28Å; H263-H285 AromaticContact CG-NE2 3.98Å; H263-H285 AromaticContact ND1-CD2 3.72Å; H263-H285 AromaticContact ND1-NE2 3.13Å; H263-H285 PolarHBondContact ND1-NE2 2.8Å; H263-H285 VanDerWaalsContact ND1-NE2 3.13Å; K281-H285 PolarHBondContact O-N 2.83Å; K281-H285 PolarHBondContact O-ND1 2.65Å; L282-H285 PolarHBondContact O-N 2.82Å; W283-H285 VanDerWaalsContact C-N 3.35Å; W283-H285 PolarHBondContact O-N 3.27Å; H285-N287 PolarHBondContact O-N 2.81Å
286L92.5Very high93Very high16 Ų1654.1 Ų54.18%0.08425%0.249CC..Hα-helixtrans-68.9-20.1171.9-77.4172.2000112.3A62 V64 I110 D140 L141 L282 W283 L288A62-L286 HydrophobicContact CB-CD1 3.96Å; A62-L286 HydrophobicContact CB-CD2 3.88Å; A62-L286 HydrophobicContact CB-CG 4.47Å; V64-L286 HydrophobicContact CG2-CD1 4.13Å; V64-L286 HydrophobicContact CG2-CD2 4Å; V64-L286 HydrophobicContact CG2-CG 4.46Å; I110-L286 HydrophobicContact CD1-CD1 3.66Å; I110-L286 HydrophobicContact CG1-CD1 4.03Å; I110-L286 HydrophobicContact CG2-CD1 3.98Å; D140-L286 HydrophobicContact CB-CD2 3.94Å; L141-L286 HydrophobicContact CB-CD2 3.68Å; L141-L286 HydrophobicContact CB-CG 4.45Å; L141-L286 HydrophobicContact CD1-CD2 4.35Å; L141-L286 HydrophobicContact CD1-CG 4.27Å; L282-L286 HydrophobicContact CG-CD1 4.16Å; L282-L286 WeakPolarHBondContact O-CB 3.43Å; L282-L286 VanDerWaalsContact O-CG 3.31Å; L282-L286 WeakPolarHBondContact O-CG 3.34Å; L282-L286 PolarHBondContact O-N 2.82Å; W283-L286 PolarHBondContact O-N 2.73Å; L286-L288 VanDerWaalsContact C-N 3.29Å; L286-L288 HydrophobicContact CB-CD1 4.21Å; L286-L288 HydrophobicContact CB-CG 3.92Å; L286-L288 HydrophobicContact CD1-CD1 4.29Å; L286-L288 PolarHBondContact O-N 3.36Å
287N90.9Very high92.8Very high90 Ų9052.4 Ų52.448%0.48126%0.259SS..THydrogen-bonded Turntrans52.249.2177.2-167.423.2000111.4W283 D284 H285 N310W283-N287 PolarHBondContact O-N 2.91Å; D284-N287 PolarHBondContact O-N 2.9Å; H285-N287 PolarHBondContact O-N 2.81Å; N287-N310 HydrophobicContact CB-CB 4.48Å; N287-N310 WeakPolarHBondContact ND2-CB 3.42Å; N287-N310 PolarHBondContact ND2-ND2 2.95Å; N287-N310 WeakPolarHBondContact O-CB 3.43Å; N287-N310 PolarHBondContact O-N 3.3Å; N287-N310 WeakPolarHBondContact OD1-CB 3.41Å; N287-N310 PolarHBondContact OD1-ND2 2.94Å
288L90.4Very high92.5Very high10 Ų1053.6 Ų53.65%0.05227%0.268CS..EExtended strand (participates in β ladder)trans-86.1148.2176.7-60.9177.2000110.8A62 A108 W283 L286 V307 L308 R309A62-L288 HydrophobicContact CB-CD1 4.04Å; A62-L288 HydrophobicContact CB-CD2 4.32Å; A108-L288 HydrophobicContact CB-CD1 4.37Å; W283-L288 HydrophobicContact CE3-CD1 4.39Å; W283-L288 HydrophobicContact CH2-CB 4.24Å; W283-L288 HydrophobicContact CZ2-CB 4.3Å; W283-L288 HydrophobicContact CZ3-CD1 4.13Å; L286-L288 VanDerWaalsContact C-N 3.29Å; L286-L288 HydrophobicContact CB-CD1 4.21Å; L286-L288 HydrophobicContact CB-CG 3.92Å; L286-L288 HydrophobicContact CD1-CD1 4.29Å; L286-L288 PolarHBondContact O-N 3.36Å; L288-V307 HydrophobicContact CB-CG1 3.89Å; L288-V307 HydrophobicContact CD1-CG1 3.88Å; L288-V307 HydrophobicContact CG-CG1 4.3Å; L288-L308 CarbonylContact C-O 3.5Å; L288-L308 WeakPolarHBondContact CA-O 3.38Å; L288-R309 HydrophobicContact CD2-CG 4.26Å
289I90.4Very high92.2Very high5 Ų562.6 Ų62.63%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-113.6144171.464.2173.2000108.9V291 V307 L308 N310 L352 H354I289-V291 HydrophobicContact CD1-CG2 4.04Å; I289-V291 HydrophobicContact CG1-CG2 4.3Å; I289-V307 CarbonylContact O-C 3.53Å; I289-V307 WeakPolarHBondContact O-CA 3.45Å; I289-L308 HydrophobicContact CD1-CB 4.44Å; I289-L308 HydrophobicContact CG1-CB 3.96Å; I289-L308 PolarHBondContact N-O 2.92Å; I289-L308 PolarHBondContact O-N 3.12Å; I289-N310 HydrophobicContact CG2-CB 3.93Å; I289-L352 HydrophobicContact CD1-CB 4.28Å; I289-L352 WeakPolarHBondContact CD1-O 3.43Å; I289-H354 HydrophobicContact CB-CB 4.24Å; I289-H354 HydrophobicContact CG2-CB 4.11Å
290Q91.2Very high91.9Very high24 Ų2463.2 Ų63.211%0.11231%0.313CS..EExtended strand (participates in β ladder)trans-109.9124.5173-173176.630.300106.8F292 V307 H354 H355Q290-F292 HydrophobicContact CG-CE1 4.26Å; Q290-F292 HydrophobicContact CG-CZ 4.1Å; Q290-V307 HydrophobicContact CG-CG2 4.28Å; Q290-H354 PolarHBondContact N-ND1 3.28Å; Q290-H355 WeakPolarHBondContact O-CA 3.35Å; Q290-H355 PolarHBondContact O-N 2.79Å
291V92.2Very high91.4Very high0 Ų062.7 Ų62.70%031%0.312CS..EExtended strand (participates in β ladder)trans-121132.1-178.6-176.50000109.1I289 I306 I317 L352 D356 V358I289-V291 HydrophobicContact CD1-CG2 4.04Å; I289-V291 HydrophobicContact CG1-CG2 4.3Å; V291-I306 PolarHBondContact N-O 2.86Å; V291-I306 PolarHBondContact O-N 3.32Å; V291-I317 HydrophobicContact CB-CD1 3.77Å; V291-I317 HydrophobicContact CG1-CD1 3.33Å; V291-I317 HydrophobicContact CG2-CD1 4.21Å; V291-L352 HydrophobicContact CG1-CD1 4.38Å; V291-L352 HydrophobicContact CG2-CB 4.24Å; V291-L352 HydrophobicContact CG2-CD1 4.43Å; V291-D356 HydrophobicContact CG1-CB 4.32Å; V291-D356 WeakPolarHBondContact CG1-O 3.33Å; V291-V358 HydrophobicContact CG1-CB 4.33Å; V291-V358 HydrophobicContact CG1-CG2 3.47Å; V291-V358 VanDerWaalsContact CG1-CG2 3.47Å
292F94.1Very high91Very high16 Ų1665 Ų657%0.0733%0.326CS..EExtended strand (participates in β ladder)trans-94.5141.6-177.9-59.9-73000110.7Q290 D301 L302 H355 D356 V357 V358Q290-F292 HydrophobicContact CG-CE1 4.26Å; Q290-F292 HydrophobicContact CG-CZ 4.1Å; F292-D301 WeakPolarHBondContact CD1-O 3.46Å; F292-L302 HydrophobicContact CB-CD2 4.19Å; F292-L302 HydrophobicContact CD1-CD2 4.18Å; F292-L302 HydrophobicContact CD2-CD2 4.01Å; F292-L302 VanDerWaalsContact CE1-O 3.23Å; F292-L302 WeakPolarHBondContact CE1-O 3.44Å; F292-L302 HydrophobicContact CE2-CD2 4.46Å; F292-L302 HydrophobicContact CG-CD2 3.84Å; F292-H355 HydrophobicContact CE2-CB 4.12Å; F292-H355 AromaticContact CE2-CD2 3.65Å; F292-D356 PolarHBondContact N-O 3Å; F292-V357 HydrophobicContact CB-CG2 4.23Å; F292-V357 CarbonylContact O-C 3.38Å; F292-V357 WeakPolarHBondContact O-CA 3.44Å; F292-V358 PolarHBondContact O-N 2.8Å
293T92.1Very high90.5Very high43 Ų4372.2 Ų72.226%0.26437%0.365SS..EExtended strand (participates in β ladder)trans-98.4146.6176.569.70000110.8D301 I306 I321 V358T293-D301 PolarHBondContact O-N 2.96Å; T293-I306 HydrophobicContact CG2-CD1 3.48Å; T293-I306 VanDerWaalsContact CG2-CD1 3.48Å; T293-I306 HydrophobicContact CG2-CG1 4.16Å; T293-I321 HydrophobicContact CG2-CD1 3.92Å; T293-V358 WeakPolarHBondContact CA-O 3.41Å
294K92.8Very high90Very high40 Ų4078.7 Ų78.717%0.17440%0.396CS..  trans-131.1128.2178.5-177.3-175.4174.2-53.40110.6Q298 P300 W335 V357 V358 Q359K294-Q298 WeakPolarHBondContact CE-O 3.1Å; K294-Q298 PolarHBondContact NZ-O 3.15Å; K294-P300 HydrophobicContact CB-CB 4.12Å; K294-P300 HydrophobicContact CG-CB 4.3Å; K294-W335 HydrophobicContact CD-CE3 4.44Å; K294-W335 HydrophobicContact CD-CH2 3.94Å; K294-W335 HydrophobicContact CD-CZ2 4.4Å; K294-W335 HydrophobicContact CD-CZ3 3.95Å; K294-V357 HydrophobicContact CB-CG1 3.66Å; K294-V357 HydrophobicContact CD-CG1 4.18Å; K294-V357 HydrophobicContact CG-CG1 4.49Å; K294-V358 PolarHBondContact N-O 2.7Å; K294-Q359 HydrophobicContact CB-CB 4.3Å; K294-Q359 WeakPolarHBondContact O-CA 3.33Å; K294-Q359 WeakPolarHBondContact O-CB 3.41Å; K294-Q359 WeakPolarHBondContact O-CG 3.07Å
295K90.8Very high89.8Confident145 Ų14575.5 Ų75.563%0.6338%0.382SS*.  trans-81.7151.5171.3-66.3176.9-174.4166.30110.9G297 Q298K295-G297 PolarHBondContact O-N 3.34Å; K295-Q298 HydrophobicContact CB-CB 4.22Å; K295-Q298 HydrophobicContact CB-CG 4.41Å; K295-Q298 PolarHBondContact O-N 2.92Å
296R89.7Confident89.6Confident229 Ų22974.7 Ų74.786%0.86438%0.379SS*.THydrogen-bonded Turntrans-61.2129.2175.6-175.2179.2178.3-177-1.1109.5Q298R296-Q298 PolarHBondContact O-N 3.45Å
297G89.3Confident89.5Confident80 Ų8074.3 Ų74.383%0.82538%0.377SS*.THydrogen-bonded Turntrans78.9-5.4-179.600000115.6K295K295-G297 PolarHBondContact O-N 3.34Å
298Q90.9Very high89.3Confident115 Ų11571 Ų7154%0.53736%0.36SS..SBendtrans-110.7158.3177.9-62.5-177.7-4.300111.1K294 K295 R296K294-Q298 WeakPolarHBondContact CE-O 3.1Å; K294-Q298 PolarHBondContact NZ-O 3.15Å; K295-Q298 HydrophobicContact CB-CB 4.22Å; K295-Q298 HydrophobicContact CB-CG 4.41Å; K295-Q298 PolarHBondContact O-N 2.92Å; R296-Q298 PolarHBondContact O-N 3.45Å
299K89.8Confident89.1Confident190 Ų19075.2 Ų75.283%0.82638%0.375SS*.PPolyproline II helixtrans-67.2151.8167.3-67.7-176.4-178.9179.40109.3
300P88.1Confident88.9Confident43 Ų4378.7 Ų78.728%0.27939%0.393SS..PPolyproline II helixtrans-61.7145.8171.727.7-33.7000110.2K294 L302 V357K294-P300 HydrophobicContact CB-CB 4.12Å; K294-P300 HydrophobicContact CG-CB 4.3Å; P300-L302 HydrophobicContact CB-CD2 4.14Å; P300-L302 HydrophobicContact CG-CD2 4.15Å; P300-L302 HydrophobicContact CG-CG 4.48Å; P300-V357 HydrophobicContact CB-CG1 3.71Å; P300-V357 HydrophobicContact CB-CG2 4.4Å; P300-V357 HydrophobicContact CG-CG1 4.34Å
301D85Confident88.7Confident71 Ų7179.5 Ų79.538%0.3841%0.409SS..PPolyproline II helixtrans-82119.7164.9-166.2-26.1000107.6F292 T293 D303 E304F292-D301 WeakPolarHBondContact CD1-O 3.46Å; T293-D301 PolarHBondContact O-N 2.96Å; D301-D303 PolarHBondContact OD1-N 3.29Å; D301-E304 PolarHBondContact OD1-N 3.42Å
302L86.6Confident88.6Confident104 Ų10480.1 Ų80.155%0.54541%0.413SS..SBendtrans-102.9-4.2-179.2-59.9-178.4000112.2F292 P300F292-L302 HydrophobicContact CB-CD2 4.19Å; F292-L302 HydrophobicContact CD1-CD2 4.18Å; F292-L302 HydrophobicContact CD2-CD2 4.01Å; F292-L302 VanDerWaalsContact CE1-O 3.23Å; F292-L302 WeakPolarHBondContact CE1-O 3.44Å; F292-L302 HydrophobicContact CE2-CD2 4.46Å; F292-L302 HydrophobicContact CG-CD2 3.84Å; P300-L302 HydrophobicContact CB-CD2 4.14Å; P300-L302 HydrophobicContact CG-CD2 4.15Å; P300-L302 HydrophobicContact CG-CG 4.48Å
303D83.4Confident88.5Confident153 Ų15380.2 Ų80.282%0.81842%0.415SS*.SBendtrans-87.4-40.1179.2-61-38.5000109.9D301D301-D303 PolarHBondContact OD1-N 3.29Å
304E83Confident88.6Confident151 Ų15178.1 Ų78.171%0.70640%0.402SS*.SBendtrans-106.379.5-179.7-65.8-173179.400112.4D301D301-E304 PolarHBondContact OD1-N 3.42Å
305G88.3Confident88.5Confident13 Ų1379.7 Ų79.713%0.13441%0.41CS..PPolyproline II helixtrans-81.2137.9172.500000112.9
306I89.6Confident88.5Confident31 Ų3177 Ų7716%0.15940%0.4CS..EExtended strand (participates in β ladder)trans-78.9121.3171.8-59.3179.9000108.6V291 T293 L308 S320 I321V291-I306 PolarHBondContact N-O 2.86Å; V291-I306 PolarHBondContact O-N 3.32Å; T293-I306 HydrophobicContact CG2-CD1 3.48Å; T293-I306 VanDerWaalsContact CG2-CD1 3.48Å; T293-I306 HydrophobicContact CG2-CG1 4.16Å; I306-L308 HydrophobicContact CG2-CD1 4.5Å; I306-L308 HydrophobicContact CG2-CD2 4.05Å; I306-L308 HydrophobicContact CG2-CG 4.07Å; I306-S320 WeakPolarHBondContact CG2-OG 3.32Å; I306-I321 HydrophobicContact CD1-CD1 4.18Å; I306-I321 HydrophobicContact CD1-CG1 3.65Å
307V90.5Very high88.5Confident7 Ų766.2 Ų66.24%0.04236%0.359CS..EExtended strand (participates in β ladder)trans-90.3131.4178.1-176.70000110.3D61 A108 W283 L288 I289 Q290D61-V307 HydrophobicContact CB-CB 4.12Å; D61-V307 HydrophobicContact CB-CG1 3.96Å; A108-V307 HydrophobicContact CB-CB 4.13Å; A108-V307 HydrophobicContact CB-CG1 3.84Å; A108-V307 HydrophobicContact CB-CG2 3.9Å; W283-V307 HydrophobicContact CH2-CG1 4.22Å; W283-V307 HydrophobicContact CH2-CG2 4.46Å; L288-V307 HydrophobicContact CB-CG1 3.89Å; L288-V307 HydrophobicContact CD1-CG1 3.88Å; L288-V307 HydrophobicContact CG-CG1 4.3Å; I289-V307 CarbonylContact O-C 3.53Å; I289-V307 WeakPolarHBondContact O-CA 3.45Å; Q290-V307 HydrophobicContact CG-CG2 4.28Å
308L88Confident88.5Confident21 Ų2162.4 Ų62.411%0.1132%0.319CS..EExtended strand (participates in β ladder)trans-137.7171.6-178.7-59.4169.8000109.8L288 I289 I306 I317L288-L308 CarbonylContact C-O 3.5Å; L288-L308 WeakPolarHBondContact CA-O 3.38Å; I289-L308 HydrophobicContact CD1-CB 4.44Å; I289-L308 HydrophobicContact CG1-CB 3.96Å; I289-L308 PolarHBondContact N-O 2.92Å; I289-L308 PolarHBondContact O-N 3.12Å; I306-L308 HydrophobicContact CG2-CD1 4.5Å; I306-L308 HydrophobicContact CG2-CD2 4.05Å; I306-L308 HydrophobicContact CG2-CG 4.07Å; L308-I317 HydrophobicContact CD1-CD1 4.12Å; L308-I317 HydrophobicContact CD1-CG1 3.4Å; L308-I317 VanDerWaalsContact CD1-CG1 3.4Å
309R85.6Confident88.4Confident99 Ų9961.3 Ų61.337%0.37431%0.314SS..EExtended strand (participates in β ladder)trans-77.5146.9171.2-63.8-177.9-172.2-148.7-3110.2K58 D140 L288 G311 S312K58-R309 VanDerWaalsContact CE-NH2 3.35Å; D140-R309 VanDerWaalsContact CG-CZ 3.4Å; D140-R309 IonicContact OD1-CZ 2.55Å; D140-R309 IonicContact OD1-NH1 3.57Å; D140-R309 PolarHBondContact OD1-NH1 3.34Å; D140-R309 IonicContact OD1-NH2 2.7Å; D140-R309 PolarHBondContact OD1-NH2 3.35Å; D140-R309 IonicContact OD2-CZ 2.68Å; D140-R309 IonicContact OD2-NH2 2.91Å; D140-R309 PolarHBondContact OD2-NH2 2.81Å; L288-R309 HydrophobicContact CD2-CG 4.26Å; R309-G311 PolarHBondContact O-N 2.98Å; R309-S312 WeakPolarHBondContact O-CB 3.28Å; R309-S312 PolarHBondContact O-N 3.12Å; R309-S312 PolarHBondContact O-OG 3.19Å
310N86.7Confident88.2Confident77 Ų7755.5 Ų55.541%0.41230%0.298SS..THydrogen-bonded Turntrans-57.8139167.6-167.2-1.1000110.5N287 I289N287-N310 HydrophobicContact CB-CB 4.48Å; N287-N310 WeakPolarHBondContact ND2-CB 3.42Å; N287-N310 PolarHBondContact ND2-ND2 2.95Å; N287-N310 WeakPolarHBondContact O-CB 3.43Å; N287-N310 PolarHBondContact O-N 3.3Å; N287-N310 WeakPolarHBondContact OD1-CB 3.41Å; N287-N310 PolarHBondContact OD1-ND2 2.94Å; I289-N310 HydrophobicContact CG2-CB 3.93Å
311G87.3Confident88.1Confident42 Ų4257.4 Ų57.443%0.43331%0.305SS..THydrogen-bonded Turntrans87.6-3.1-169.200000114.6R309R309-G311 PolarHBondContact O-N 2.98Å
312S89.3Confident88.2Confident12 Ų1258.9 Ų58.98%0.08431%0.309CS..  trans-63.6143.8171.3-750000111.9R309 L352R309-S312 WeakPolarHBondContact O-CB 3.28Å; R309-S312 PolarHBondContact O-N 3.12Å; R309-S312 PolarHBondContact O-OG 3.19Å; S312-L352 PolarHBondContact O-N 3.1Å
313T93Very high88Confident18 Ų1864.2 Ų64.211%0.1132%0.322CS..BIsolated β-bridgetrans-103.3170.5-178.967.20000111.9E315 H316 I317 L348 H350 V351T313-E315 PolarHBondContact O-N 2.64Å; T313-E315 WeakPolarHBondContact OG1-CB 3.35Å; T313-E315 PolarHBondContact OG1-N 3.26Å; T313-H316 PolarHBondContact N-ND1 3.2Å; T313-H316 WeakPolarHBondContact O-CB 3.4Å; T313-H316 PolarHBondContact O-N 2.88Å; T313-H316 PolarHBondContact OG1-CE1 2.95Å; T313-H316 PolarHBondContact OG1-ND1 3.43Å; T313-I317 PolarHBondContact O-N 2.88Å; T313-L348 VanDerWaalsContact CB-O 3.29Å; T313-L348 WeakPolarHBondContact CB-O 3.48Å; T313-L348 PolarHBondContact OG1-O 3.22Å; T313-H350 CarbonylContact C-O 3.58Å; T313-H350 WeakPolarHBondContact CA-O 3.32Å; T313-H350 WeakPolarHBondContact CB-O 3.45Å; T313-V351 HydrophobicContact CG2-CG2 4.23Å
314V92.3Very high88.3Confident0 Ų058.8 Ų58.80%030%0.296CS..Hα-helixtrans-53.4-33.8171.5174.60000112.3H316 I317 C318 A332 V346 L348 H350 L352 I360V314-H316 VanDerWaalsContact C-N 3.29Å; V314-H316 PolarHBondContact O-N 2.86Å; V314-I317 PolarHBondContact O-N 2.88Å; V314-C318 PolarHBondContact O-N 3.34Å; V314-C318 PolarHBondContact O-SG 2.94Å; V314-A332 HydrophobicContact CG1-CB 3.61Å; V314-A332 HydrophobicContact CG2-CB 4.25Å; V314-V346 HydrophobicContact CG2-CG2 3.96Å; V314-L348 HydrophobicContact CG1-CD2 4.23Å; V314-L348 PolarHBondContact N-O 2.91Å; V314-H350 HydrophobicContact CG2-CB 4.13Å; V314-H350 PolarHBondContact N-O 3.23Å; V314-L352 HydrophobicContact CG2-CD1 4.1Å; V314-L352 HydrophobicContact CG2-CD2 3.99Å; V314-L352 HydrophobicContact CG2-CG 4.15Å; V314-I360 HydrophobicContact CG1-CD1 3.93Å
315E92.1Very high88.5Confident72 Ų7252.2 Ų52.234%0.33627%0.266SS..Hα-helixtrans-58.6-39.5173.9-171.7177.8-171.700112.9T313 I317 C318 H319 A326 L348T313-E315 PolarHBondContact O-N 2.64Å; T313-E315 WeakPolarHBondContact OG1-CB 3.35Å; T313-E315 PolarHBondContact OG1-N 3.26Å; E315-I317 VanDerWaalsContact C-N 3.35Å; E315-I317 PolarHBondContact O-N 3.17Å; E315-C318 WeakPolarHBondContact O-CB 3.48Å; E315-C318 PolarHBondContact O-N 3.42Å; E315-H319 PolarHBondContact O-N 2.79Å; E315-H319 PolarHBondContact O-ND1 3.04Å; E315-H319 IonicContact OE1-CE1 3.85Å; E315-A326 HydrophobicContact CG-CB 4.36Å; E315-L348 HydrophobicContact CB-CB 4.26Å; E315-L348 HydrophobicContact CB-CD2 4.45Å; E315-L348 PolarHBondContact N-O 2.96Å; E315-L348 VanDerWaalsContact N-O 3.07Å
316H90Very high88.3Confident90 Ų9052.1 Ų52.142%0.41726%0.264SS..Hα-helixtrans-66.6-38.4179.4-64.583.1000111.3T313 V314 H319 S320T313-H316 PolarHBondContact N-ND1 3.2Å; T313-H316 WeakPolarHBondContact O-CB 3.4Å; T313-H316 PolarHBondContact O-N 2.88Å; T313-H316 PolarHBondContact OG1-CE1 2.95Å; T313-H316 PolarHBondContact OG1-ND1 3.43Å; V314-H316 VanDerWaalsContact C-N 3.29Å; V314-H316 PolarHBondContact O-N 2.86Å; H316-H319 PolarHBondContact O-N 3.03Å; H316-S320 WeakPolarHBondContact O-CB 3.27Å; H316-S320 PolarHBondContact O-N 3.26Å
317I89.7Confident88.3Confident1 Ų154.6 Ų54.61%0.00528%0.284CS..Hα-helixtrans-61.4-45.9171.5-74.2-176.9000111V291 L308 T313 V314 E315 H319 S320 I321 L352 V358V291-I317 HydrophobicContact CB-CD1 3.77Å; V291-I317 HydrophobicContact CG1-CD1 3.33Å; V291-I317 HydrophobicContact CG2-CD1 4.21Å; L308-I317 HydrophobicContact CD1-CD1 4.12Å; L308-I317 HydrophobicContact CD1-CG1 3.4Å; L308-I317 VanDerWaalsContact CD1-CG1 3.4Å; T313-I317 PolarHBondContact O-N 2.88Å; V314-I317 PolarHBondContact O-N 2.88Å; E315-I317 VanDerWaalsContact C-N 3.35Å; E315-I317 PolarHBondContact O-N 3.17Å; I317-H319 VanDerWaalsContact C-N 3.28Å; I317-H319 PolarHBondContact O-N 2.98Å; I317-S320 PolarHBondContact O-N 2.81Å; I317-S320 VanDerWaalsContact O-N 3.15Å; I317-I321 HydrophobicContact CG2-CD1 3.7Å; I317-I321 HydrophobicContact CG2-CG1 4.31Å; I317-I321 WeakPolarHBondContact O-CG1 3.3Å; I317-I321 PolarHBondContact O-N 3.41Å; I317-L352 HydrophobicContact CD1-CD1 3.15Å; I317-L352 HydrophobicContact CG1-CD1 3.91Å; I317-V358 HydrophobicContact CD1-CB 4.3Å; I317-V358 HydrophobicContact CD1-CG2 3.87Å
318C90.5Very high88.2Confident0 Ų058.4 Ų58.40%030%0.301CS..Hα-helixtrans-56-46.2178.7-73.20000111.1V314 E315 I321 H322 L325 A326V314-C318 PolarHBondContact O-N 3.34Å; V314-C318 PolarHBondContact O-SG 2.94Å; E315-C318 WeakPolarHBondContact O-CB 3.48Å; E315-C318 PolarHBondContact O-N 3.42Å; C318-I321 PolarHBondContact O-N 3.2Å; C318-H322 CarbonylContact O-C 3.56Å; C318-H322 PolarHBondContact O-N 3.33Å; C318-L325 HydrophobicContact CB-CB 4.15Å; C318-L325 HydrophobicContact CB-CG 4.3Å; C318-A326 HydrophobicContact CB-CB 3.86Å
319H88.1Confident88.1Confident93 Ų9357.8 Ų57.843%0.43130%0.298SS..Hα-helixtrans-66.9-35.6177.4-68.5140.5000113.6E315 H316 I317E315-H319 PolarHBondContact O-N 2.79Å; E315-H319 PolarHBondContact O-ND1 3.04Å; E315-H319 IonicContact OE1-CE1 3.85Å; H316-H319 PolarHBondContact O-N 3.03Å; I317-H319 VanDerWaalsContact C-N 3.28Å; I317-H319 PolarHBondContact O-N 2.98Å
320S84.9Confident88.2Confident68 Ų6860 Ų6048%0.47631%0.31SS..Hα-helixtrans-64.8-40.2176176.50000112.1I306 H316 I317I306-S320 WeakPolarHBondContact CG2-OG 3.32Å; H316-S320 WeakPolarHBondContact O-CB 3.27Å; H316-S320 PolarHBondContact O-N 3.26Å; I317-S320 PolarHBondContact O-N 2.81Å; I317-S320 VanDerWaalsContact O-N 3.15Å
321I86.7Confident88.5Confident83 Ų8357.5 Ų57.543%0.42630%0.299SS..Hα-helixtrans-73.2-53.2176.2-61.9169.2000110.8T293 I306 I317 C318 L325T293-I321 HydrophobicContact CG2-CD1 3.92Å; I306-I321 HydrophobicContact CD1-CD1 4.18Å; I306-I321 HydrophobicContact CD1-CG1 3.65Å; I317-I321 HydrophobicContact CG2-CD1 3.7Å; I317-I321 HydrophobicContact CG2-CG1 4.31Å; I317-I321 WeakPolarHBondContact O-CG1 3.3Å; I317-I321 PolarHBondContact O-N 3.41Å; C318-I321 PolarHBondContact O-N 3.2Å; I321-L325 HydrophobicContact CB-CD2 3.99Å; I321-L325 HydrophobicContact CD1-CD2 4.11Å; I321-L325 HydrophobicContact CG2-CD2 3.94Å
322H86.4Confident88.8Confident102 Ų10255.5 Ų55.547%0.47228%0.278SS..  trans-163.4131.5178.9-170.9-97.5000112C318 S324 L325C318-H322 CarbonylContact O-C 3.56Å; C318-H322 PolarHBondContact O-N 3.33Å; H322-S324 PolarHBondContact CE1-OG 3.34Å; H322-S324 PolarHBondContact ND1-N 2.81Å; H322-S324 PolarHBondContact ND1-OG 2.88Å; H322-S324 PolarHBondContact O-N 2.9Å; H322-L325 HydrophobicContact CB-CB 4.38Å; H322-L325 VanDerWaalsContact O-CB 3.28Å; H322-L325 WeakPolarHBondContact O-CB 3.5Å; H322-L325 PolarHBondContact O-N 3.3Å
323R83.9Confident89.1Confident215 Ų21556.1 Ų56.181%0.81128%0.28SS*.THydrogen-bonded Turntrans-48.5-31.5-177.169.7-177.6-172.8-174.61.3116.1
324S87.8Confident89.2Confident39 Ų3955.2 Ų55.227%0.27328%0.275SS..THydrogen-bonded Turntrans-91.7-5.5-179.471.30000114.5H322 A326 S327H322-S324 PolarHBondContact CE1-OG 3.34Å; H322-S324 PolarHBondContact ND1-N 2.81Å; H322-S324 PolarHBondContact ND1-OG 2.88Å; H322-S324 PolarHBondContact O-N 2.9Å; S324-A326 VanDerWaalsContact C-N 3.3Å; S324-A326 PolarHBondContact O-N 2.94Å; S324-S327 PolarHBondContact O-N 2.76Å; S324-S327 PolarHBondContact O-OG 2.96Å
325L87.3Confident89.4Confident14 Ų1458.4 Ų58.47%0.07329%0.287CS..Hα-helixtrans-69.4-32.2-173.4-170.659.3000111.8C318 I321 H322 S327 Q328 C329 I360 K362C318-L325 HydrophobicContact CB-CB 4.15Å; C318-L325 HydrophobicContact CB-CG 4.3Å; I321-L325 HydrophobicContact CB-CD2 3.99Å; I321-L325 HydrophobicContact CD1-CD2 4.11Å; I321-L325 HydrophobicContact CG2-CD2 3.94Å; H322-L325 HydrophobicContact CB-CB 4.38Å; H322-L325 VanDerWaalsContact O-CB 3.28Å; H322-L325 WeakPolarHBondContact O-CB 3.5Å; H322-L325 PolarHBondContact O-N 3.3Å; L325-S327 PolarHBondContact O-N 3.15Å; L325-Q328 PolarHBondContact O-N 3.46Å; L325-C329 PolarHBondContact O-N 2.91Å; L325-I360 HydrophobicContact CD1-CG2 4.13Å; L325-I360 HydrophobicContact CD2-CG1 4.29Å; L325-I360 HydrophobicContact CD2-CG2 4.38Å; L325-I360 HydrophobicContact CG-CG2 4.17Å; L325-K362 HydrophobicContact CD1-CD 4.48Å; L325-K362 VanDerWaalsContact CD1-CE 3.5Å; L325-K362 HydrophobicContact CD1-CG 4.43Å
326A85.3Confident89.5Confident11 Ų1156.3 Ų56.39%0.09129%0.285CS..Hα-helixtrans-61.4-41.1178.800000112.1E315 C318 S324 Q328 C329E315-A326 HydrophobicContact CG-CB 4.36Å; C318-A326 HydrophobicContact CB-CB 3.86Å; S324-A326 VanDerWaalsContact C-N 3.3Å; S324-A326 PolarHBondContact O-N 2.94Å; A326-Q328 VanDerWaalsContact C-N 3.33Å; A326-Q328 PolarHBondContact O-N 2.78Å; A326-C329 PolarHBondContact O-N 3.46Å
327S88.3Confident89.7Confident83 Ų8357 Ų5758%0.5830%0.296SS*.Hα-helixtrans-72.1-27.2-179.964.20000113.5S324 L325 K363S324-S327 PolarHBondContact O-N 2.76Å; S324-S327 PolarHBondContact O-OG 2.96Å; L325-S327 PolarHBondContact O-N 3.15Å; S327-K363 PolarHBondContact O-NZ 2.72Å; S327-K363 VanDerWaalsContact O-NZ 3.09Å
328Q88.3Confident89.9Confident86 Ų8658 Ų5840%0.40230%0.302SS..Hα-helixtrans-88.6-10178.2-63.6-179.3-2.300113.5L325 A326 K330 K362 K363L325-Q328 PolarHBondContact O-N 3.46Å; A326-Q328 VanDerWaalsContact C-N 3.33Å; A326-Q328 PolarHBondContact O-N 2.78Å; Q328-K330 PolarHBondContact O-N 2.96Å; Q328-K362 CarbonylContact O-C 3.58Å; Q328-K362 WeakPolarHBondContact O-CA 3.31Å; Q328-K363 PolarHBondContact O-N 3.36Å
329C86.3Confident90.1Very high9 Ų958.7 Ų58.76%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-71.3125-178.3-171.80000110.7L325 A326 L348 I360L325-C329 PolarHBondContact O-N 2.91Å; A326-C329 PolarHBondContact O-N 3.46Å; C329-L348 HydrophobicContact CB-CD2 3.83Å; C329-I360 HydrophobicContact CB-CG2 4.37Å
330K89Confident90.3Very high144 Ų14463.3 Ų63.363%0.62633%0.326SS*.EExtended strand (participates in β ladder)trans-87.2-49.1170.2-177.4175.8178.8175.20110.4Q328 V361 K363Q328-K330 PolarHBondContact O-N 2.96Å; K330-V361 PolarHBondContact N-O 2.99Å; K330-K363 HydrophobicContact CB-CG 3.86Å
331C92.3Very high90.7Very high25 Ų2567.2 Ų67.217%0.16933%0.334CS..EExtended strand (participates in β ladder)trans-160.5167.1175.854.90000109.1V361C331-V361 PolarHBondContact N-O 2.78Å; C331-V361 WeakPolarHBondContact O-CA 3.42Å; C331-V361 VanDerWaalsContact O-CB 3.28Å; C331-V361 WeakPolarHBondContact O-CB 3.47Å; C331-V361 PolarHBondContact O-N 3.35Å
332A93.8Very high90.8Very high0 Ų067 Ų670%034%0.341CS..EExtended strand (participates in β ladder)trans-114.2143.116700000109.7V314 V334 H345 V346 V358 Q359 I360V314-A332 HydrophobicContact CG1-CB 3.61Å; V314-A332 HydrophobicContact CG2-CB 4.25Å; A332-V334 HydrophobicContact CB-CG2 4.38Å; A332-H345 CarbonylContact O-C 3.56Å; A332-H345 WeakPolarHBondContact O-CA 3.42Å; A332-V346 HydrophobicContact CB-CG2 3.98Å; A332-V346 PolarHBondContact N-O 3.19Å; A332-V346 PolarHBondContact O-N 3.44Å; A332-V358 HydrophobicContact CB-CG1 4.08Å; A332-Q359 WeakPolarHBondContact CA-O 3.46Å; A332-I360 HydrophobicContact CB-CD1 4.06Å
333L95.1Very high91.1Very high25 Ų2565 Ų6513%0.13134%0.337CS..EExtended strand (participates in β ladder)trans-93.4123.3164.8-77.4163.2000107.3W335 P343 H345 Q359 V361L333-W335 HydrophobicContact CB-CH2 3.75Å; L333-W335 HydrophobicContact CB-CZ3 3.84Å; L333-W335 HydrophobicContact CD1-CH2 4.44Å; L333-W335 WeakPolarHBondContact O-CZ3 3.4Å; L333-P343 HydrophobicContact CD2-CB 4.06Å; L333-P343 HydrophobicContact CD2-CG 4.36Å; L333-H345 WeakPolarHBondContact CD2-NE2 3.48Å; L333-Q359 HydrophobicContact CB-CB 4.22Å; L333-Q359 PolarHBondContact N-O 3.21Å; L333-Q359 PolarHBondContact O-N 2.98Å; L333-V361 HydrophobicContact CD1-CG2 4.19Å; L333-V361 HydrophobicContact CG-CG2 4.38Å
334V96Very high91.6Very high0 Ų058 Ų580%031%0.313CS..EExtended strand (participates in β ladder)trans-119.1133.7-179.1178.80000109.6A332 V339 P343 Q344 V346 L352 D356 V357 V358A332-V334 HydrophobicContact CB-CG2 4.38Å; V334-V339 HydrophobicContact CB-CG1 3.81Å; V334-V339 HydrophobicContact CG1-CG1 3.85Å; V334-V339 HydrophobicContact CG1-CG2 4.46Å; V334-P343 VanDerWaalsContact O-CA 3.23Å; V334-P343 WeakPolarHBondContact O-CA 3.28Å; V334-Q344 PolarHBondContact N-O 3.35Å; V334-Q344 PolarHBondContact O-N 3.01Å; V334-V346 HydrophobicContact CB-CG2 4.35Å; V334-V346 HydrophobicContact CG2-CG2 3.46Å; V334-V346 VanDerWaalsContact CG2-CG2 3.46Å; V334-L352 HydrophobicContact CG1-CD2 4.03Å; V334-L352 HydrophobicContact CG2-CD2 4.02Å; V334-D356 HydrophobicContact CG1-CB 4.23Å; V334-V357 WeakPolarHBondContact CA-O 3.49Å; V334-V358 HydrophobicContact CG2-CG1 4.4Å; V334-V358 HydrophobicContact CG2-CG2 4.11Å
335W95.8Very high92Very high66 Ų6662.2 Ų62.225%0.2533%0.328CS..EExtended strand (participates in β ladder)trans-113.9134.6167.7-58.8-106.5000107.7K294 L333 P343 D356 V357 Q359K294-W335 HydrophobicContact CD-CE3 4.44Å; K294-W335 HydrophobicContact CD-CH2 3.94Å; K294-W335 HydrophobicContact CD-CZ2 4.4Å; K294-W335 HydrophobicContact CD-CZ3 3.95Å; L333-W335 HydrophobicContact CB-CH2 3.75Å; L333-W335 HydrophobicContact CB-CZ3 3.84Å; L333-W335 HydrophobicContact CD1-CH2 4.44Å; L333-W335 WeakPolarHBondContact O-CZ3 3.4Å; W335-P343 HydrophobicContact CD2-CB 3.78Å; W335-P343 HydrophobicContact CE3-CB 4.43Å; W335-P343 HydrophobicContact CG-CB 4.06Å; W335-P343 HydrophobicContact CH2-CB 4.35Å; W335-P343 HydrophobicContact CZ2-CB 3.71Å; W335-P343 HydrophobicContact CZ2-CG 3.77Å; W335-D356 WeakPolarHBondContact O-CA 3.37Å; W335-V357 HydrophobicContact CB-CB 4.23Å; W335-V357 HydrophobicContact CE3-CB 4.26Å; W335-V357 HydrophobicContact CE3-CG1 4.06Å; W335-V357 PolarHBondContact N-O 3.19Å; W335-V357 PolarHBondContact O-N 3.33Å; W335-Q359 HydrophobicContact CH2-CB 3.91Å; W335-Q359 HydrophobicContact CZ3-CB 3.61Å
336G93.4Very high92.4Very high28 Ų2862.3 Ų62.329%0.28933%0.329SS..SBendtrans141.2-159.2177.100000113V339 S342 D356G336-V339 VanDerWaalsContact O-CG2 3.32Å; G336-V339 WeakPolarHBondContact O-CG2 3.49Å; G336-S342 PolarHBondContact N-OG 3.2Å; G336-D356 VanDerWaalsContact CA-OD1 3.31Å; G336-D356 WeakPolarHBondContact CA-OD1 3.46Å
337T93.9Very high92.8Very high105 Ų10564 Ų6464%0.64435%0.348SS*.THydrogen-bonded Turntrans-88.4-13.7-17064.10000113.1V339 H353 D356T337-V339 VanDerWaalsContact C-N 3.25Å; T337-V339 PolarHBondContact O-N 2.81Å; T337-H353 PolarHBondContact O-ND1 3.29Å; T337-H353 VanDerWaalsContact OG1-CB 3.29Å; T337-H353 WeakPolarHBondContact OG1-CB 3.49Å; T337-H353 PolarHBondContact OG1-ND1 3.48Å; T337-D356 PolarHBondContact N-OD1 3.09Å
338S93.9Very high93Very high21 Ų2162.4 Ų62.415%0.14733%0.332CS..THydrogen-bonded Turntrans-74.7-16.8175.367.90000113.5H350 V351 H353 D356S338-H350 WeakPolarHBondContact CB-NE2 3.46Å; S338-H350 PolarHBondContact O-CE1 2.71Å; S338-H350 VanDerWaalsContact O-CE1 3.24Å; S338-H350 PolarHBondContact OG-NE2 3.05Å; S338-V351 WeakPolarHBondContact CB-O 3.35Å; S338-H353 WeakPolarHBondContact CA-ND1 3.26Å; S338-H353 PolarHBondContact N-ND1 3.33Å; S338-D356 WeakPolarHBondContact CB-OD2 3.2Å; S338-D356 PolarHBondContact N-OD1 3.46Å; S338-D356 PolarHBondContact OG-OD2 3.41Å
339V95.4Very high93.2Very high15 Ų1564.5 Ų64.59%0.09135%0.347CS..SBendtrans-110.3151.6-177.8-67.90000111.2V334 G336 T337 F341 Q344 V346V334-V339 HydrophobicContact CB-CG1 3.81Å; V334-V339 HydrophobicContact CG1-CG1 3.85Å; V334-V339 HydrophobicContact CG1-CG2 4.46Å; G336-V339 VanDerWaalsContact O-CG2 3.32Å; G336-V339 WeakPolarHBondContact O-CG2 3.49Å; T337-V339 VanDerWaalsContact C-N 3.25Å; T337-V339 PolarHBondContact O-N 2.81Å; V339-F341 VanDerWaalsContact CG2-O 3.22Å; V339-F341 WeakPolarHBondContact CG2-O 3.23Å; V339-Q344 HydrophobicContact CB-CB 3.85Å; V339-Q344 HydrophobicContact CG1-CB 3.89Å; V339-Q344 HydrophobicContact CG2-CB 4.49Å; V339-V346 HydrophobicContact CG1-CG1 3.87Å
340K93.2Very high93.6Very high190 Ų19066.2 Ų66.283%0.82635%0.354SS*.SBendtrans-79.9-29.2176.9-69.5-173.8178.2-177.40112.3
341F92.6Very high93.9Very high150 Ų15062.6 Ų62.666%0.65834%0.343SS*.SBendtrans-125.4140.4179.3-58.2-77.7000109.3V339 P343 Q344V339-F341 VanDerWaalsContact CG2-O 3.22Å; V339-F341 WeakPolarHBondContact CG2-O 3.23Å; F341-P343 CarbonylContact O-C 3.53Å; F341-Q344 WeakPolarHBondContact O-CB 3.24Å; F341-Q344 PolarHBondContact O-N 2.98Å; F341-Q344 VanDerWaalsContact O-N 3.13Å
342S89.4Confident94Very high80 Ų8061.4 Ų61.456%0.55934%0.335SS*.SBendtrans-113.7113.7-178.6-790000111.5G336G336-S342 PolarHBondContact N-OG 3.2Å
343P92.5Very high94Very high60 Ų6065.1 Ų65.139%0.3935%0.353SS..SBendcis-79159.5-828.1-27.1000113.9L333 V334 W335 F341L333-P343 HydrophobicContact CD2-CB 4.06Å; L333-P343 HydrophobicContact CD2-CG 4.36Å; V334-P343 VanDerWaalsContact O-CA 3.23Å; V334-P343 WeakPolarHBondContact O-CA 3.28Å; W335-P343 HydrophobicContact CD2-CB 3.78Å; W335-P343 HydrophobicContact CE3-CB 4.43Å; W335-P343 HydrophobicContact CG-CB 4.06Å; W335-P343 HydrophobicContact CH2-CB 4.35Å; W335-P343 HydrophobicContact CZ2-CB 3.71Å; W335-P343 HydrophobicContact CZ2-CG 3.77Å; F341-P343 CarbonylContact O-C 3.53Å
344Q95.1Very high93.9Very high66 Ų6667.4 Ų67.431%0.30836%0.362SS..EExtended strand (participates in β ladder)trans-123.3142.6168.5-177.5168.52.900110.5V334 V339 F341 V346V334-Q344 PolarHBondContact N-O 3.35Å; V334-Q344 PolarHBondContact O-N 3.01Å; V339-Q344 HydrophobicContact CB-CB 3.85Å; V339-Q344 HydrophobicContact CG1-CB 3.89Å; V339-Q344 HydrophobicContact CG2-CB 4.49Å; F341-Q344 WeakPolarHBondContact O-CB 3.24Å; F341-Q344 PolarHBondContact O-N 2.98Å; F341-Q344 VanDerWaalsContact O-N 3.13Å; Q344-V346 HydrophobicContact CG-CG1 4.32Å
345H95Very high93.7Very high129 Ų12972.3 Ų72.360%0.59739%0.385SS*.EExtended strand (participates in β ladder)trans-76.5126.1169.9-70.794.8000109.6A332 L333A332-H345 CarbonylContact O-C 3.56Å; A332-H345 WeakPolarHBondContact O-CA 3.42Å; L333-H345 WeakPolarHBondContact CD2-NE2 3.48Å
346V95.5Very high93.7Very high15 Ų1569.2 Ų69.29%0.09137%0.373CS..EExtended strand (participates in β ladder)trans-130.1157.4-179.6-550000111.3V314 A332 V334 V339 Q344 H350V314-V346 HydrophobicContact CG2-CG2 3.96Å; A332-V346 HydrophobicContact CB-CG2 3.98Å; A332-V346 PolarHBondContact N-O 3.19Å; A332-V346 PolarHBondContact O-N 3.44Å; V334-V346 HydrophobicContact CB-CG2 4.35Å; V334-V346 HydrophobicContact CG2-CG2 3.46Å; V334-V346 VanDerWaalsContact CG2-CG2 3.46Å; V339-V346 HydrophobicContact CG1-CG1 3.87Å; Q344-V346 HydrophobicContact CG-CG1 4.32Å; V346-H350 HydrophobicContact CB-CB 3.66Å; V346-H350 HydrophobicContact CG1-CB 4.34Å; V346-H350 HydrophobicContact CG2-CB 3.78Å
347G93.7Very high93.8Very high47 Ų4768.9 Ų68.949%0.48537%0.365SS..  trans-86.6179174.300000113N349 H350G347-N349 VanDerWaalsContact C-N 3.26Å; G347-N349 PolarHBondContact O-N 3.41Å; G347-H350 WeakPolarHBondContact O-CB 3.35Å; G347-H350 PolarHBondContact O-N 2.89Å
348L91.9Very high93.8Very high49 Ų4964 Ų6426%0.25734%0.336SS..THydrogen-bonded Turntrans-62.5-29.5179.7-72.5176.1000114.1T313 V314 E315 C329 H350T313-L348 VanDerWaalsContact CB-O 3.29Å; T313-L348 WeakPolarHBondContact CB-O 3.48Å; T313-L348 PolarHBondContact OG1-O 3.22Å; V314-L348 HydrophobicContact CG1-CD2 4.23Å; V314-L348 PolarHBondContact N-O 2.91Å; E315-L348 HydrophobicContact CB-CB 4.26Å; E315-L348 HydrophobicContact CB-CD2 4.45Å; E315-L348 PolarHBondContact N-O 2.96Å; E315-L348 VanDerWaalsContact N-O 3.07Å; C329-L348 HydrophobicContact CB-CD2 3.83Å; L348-H350 VanDerWaalsContact C-N 3.27Å; L348-H350 PolarHBondContact O-N 3.05Å
349N93.6Very high93.8Very high131 Ų13164 Ų6470%0.70133%0.333SS*.THydrogen-bonded Turntrans-82.6-1.2-178.3-63.5-16.5000113.6G347 V351G347-N349 VanDerWaalsContact C-N 3.26Å; G347-N349 PolarHBondContact O-N 3.41Å; N349-V351 PolarHBondContact O-N 3.18Å
350H95.4Very high93.7Very high45 Ų4565 Ų6521%0.20834%0.338CS..PPolyproline II helixtrans-67.6125.2-180-176.776.5000110.3T313 V314 S338 V346 G347 L348T313-H350 CarbonylContact C-O 3.58Å; T313-H350 WeakPolarHBondContact CA-O 3.32Å; T313-H350 WeakPolarHBondContact CB-O 3.45Å; V314-H350 HydrophobicContact CG2-CB 4.13Å; V314-H350 PolarHBondContact N-O 3.23Å; S338-H350 WeakPolarHBondContact CB-NE2 3.46Å; S338-H350 PolarHBondContact O-CE1 2.71Å; S338-H350 VanDerWaalsContact O-CE1 3.24Å; S338-H350 PolarHBondContact OG-NE2 3.05Å; V346-H350 HydrophobicContact CB-CB 3.66Å; V346-H350 HydrophobicContact CG1-CB 4.34Å; V346-H350 HydrophobicContact CG2-CB 3.78Å; G347-H350 WeakPolarHBondContact O-CB 3.35Å; G347-H350 PolarHBondContact O-N 2.89Å; L348-H350 VanDerWaalsContact C-N 3.27Å; L348-H350 PolarHBondContact O-N 3.05Å
351V94.7Very high93.6Very high67 Ų6758 Ų5841%0.40631%0.311SS..BIsolated β-bridgetrans-79.7129.5178.7179.80000108.7T313 S338 N349T313-V351 HydrophobicContact CG2-CG2 4.23Å; S338-V351 WeakPolarHBondContact CB-O 3.35Å; N349-V351 PolarHBondContact O-N 3.18Å
352L93.7Very high93.5Very high0 Ų056.8 Ų56.80%031%0.306CS..PPolyproline II helixtrans-95.5152-177.1-64.2166.4000111.1I289 V291 S312 V314 I317 V334 D356 V358I289-L352 HydrophobicContact CD1-CB 4.28Å; I289-L352 WeakPolarHBondContact CD1-O 3.43Å; V291-L352 HydrophobicContact CG1-CD1 4.38Å; V291-L352 HydrophobicContact CG2-CB 4.24Å; V291-L352 HydrophobicContact CG2-CD1 4.43Å; S312-L352 PolarHBondContact O-N 3.1Å; V314-L352 HydrophobicContact CG2-CD1 4.1Å; V314-L352 HydrophobicContact CG2-CD2 3.99Å; V314-L352 HydrophobicContact CG2-CG 4.15Å; I317-L352 HydrophobicContact CD1-CD1 3.15Å; I317-L352 HydrophobicContact CG1-CD1 3.91Å; V334-L352 HydrophobicContact CG1-CD2 4.03Å; V334-L352 HydrophobicContact CG2-CD2 4.02Å; L352-D356 HydrophobicContact CD2-CB 4.41Å; L352-V358 HydrophobicContact CD1-CG2 4.06Å; L352-V358 HydrophobicContact CD2-CG2 3.77Å
353H94Very high93.2Very high79 Ų7962.3 Ų62.337%0.36632%0.319SS..  trans-107.4164.2174.9-68.9174.2000111.3T337 S338 H355 D356T337-H353 PolarHBondContact O-ND1 3.29Å; T337-H353 VanDerWaalsContact OG1-CB 3.29Å; T337-H353 WeakPolarHBondContact OG1-CB 3.49Å; T337-H353 PolarHBondContact OG1-ND1 3.48Å; S338-H353 WeakPolarHBondContact CA-ND1 3.26Å; S338-H353 PolarHBondContact N-ND1 3.33Å; H353-H355 PolarHBondContact O-N 2.87Å; H353-D356 PolarHBondContact N-OD2 3.25Å; H353-D356 WeakPolarHBondContact O-CB 3.4Å; H353-D356 PolarHBondContact O-N 3.34Å
354H92.6Very high93.2Very high73 Ų7362.5 Ų62.534%0.33832%0.316SS..THydrogen-bonded Turntrans-58134.2175.3-169.773.9000110.7I289 Q290 D356I289-H354 HydrophobicContact CB-CB 4.24Å; I289-H354 HydrophobicContact CG2-CB 4.11Å; Q290-H354 PolarHBondContact N-ND1 3.28Å; H354-D356 VanDerWaalsContact C-N 3.27Å; H354-D356 PolarHBondContact O-N 3.48Å
355H93.1Very high93.1Very high103 Ų10362.3 Ų62.348%0.47732%0.316SS..THydrogen-bonded Turntrans64.317.5-175.7-57.7167.1000116.4Q290 F292 H353Q290-H355 WeakPolarHBondContact O-CA 3.35Å; Q290-H355 PolarHBondContact O-N 2.79Å; F292-H355 HydrophobicContact CE2-CB 4.12Å; F292-H355 AromaticContact CE2-CD2 3.65Å; H353-H355 PolarHBondContact O-N 2.87Å
356D94.5Very high93Very high0 Ų058.6 Ų58.60%030%0.301CS..  trans-62150.8166.3-77.8-10.6000110.7V291 F292 V334 W335 G336 T337 S338 L352 H353 H354V291-D356 HydrophobicContact CG1-CB 4.32Å; V291-D356 WeakPolarHBondContact CG1-O 3.33Å; F292-D356 PolarHBondContact N-O 3Å; V334-D356 HydrophobicContact CG1-CB 4.23Å; W335-D356 WeakPolarHBondContact O-CA 3.37Å; G336-D356 VanDerWaalsContact CA-OD1 3.31Å; G336-D356 WeakPolarHBondContact CA-OD1 3.46Å; T337-D356 PolarHBondContact N-OD1 3.09Å; S338-D356 WeakPolarHBondContact CB-OD2 3.2Å; S338-D356 PolarHBondContact N-OD1 3.46Å; S338-D356 PolarHBondContact OG-OD2 3.41Å; L352-D356 HydrophobicContact CD2-CB 4.41Å; H353-D356 PolarHBondContact N-OD2 3.25Å; H353-D356 WeakPolarHBondContact O-CB 3.4Å; H353-D356 PolarHBondContact O-N 3.34Å; H354-D356 VanDerWaalsContact C-N 3.27Å; H354-D356 PolarHBondContact O-N 3.48Å
357V95.6Very high92.9Very high21 Ų2161.1 Ų61.113%0.12731%0.313CS..EExtended strand (participates in β ladder)trans-111128.2171.9-179.90000108.2F292 K294 P300 V334 W335F292-V357 HydrophobicContact CB-CG2 4.23Å; F292-V357 CarbonylContact O-C 3.38Å; F292-V357 WeakPolarHBondContact O-CA 3.44Å; K294-V357 HydrophobicContact CB-CG1 3.66Å; K294-V357 HydrophobicContact CD-CG1 4.18Å; K294-V357 HydrophobicContact CG-CG1 4.49Å; P300-V357 HydrophobicContact CB-CG1 3.71Å; P300-V357 HydrophobicContact CB-CG2 4.4Å; P300-V357 HydrophobicContact CG-CG1 4.34Å; V334-V357 WeakPolarHBondContact CA-O 3.49Å; W335-V357 HydrophobicContact CB-CB 4.23Å; W335-V357 HydrophobicContact CE3-CB 4.26Å; W335-V357 HydrophobicContact CE3-CG1 4.06Å; W335-V357 PolarHBondContact N-O 3.19Å; W335-V357 PolarHBondContact O-N 3.33Å
358V94.4Very high92.8Very high3 Ų362 Ų622%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-121.8126.1-174.7-176.60000110.8V291 F292 T293 K294 I317 A332 V334 L352 I360V291-V358 HydrophobicContact CG1-CB 4.33Å; V291-V358 HydrophobicContact CG1-CG2 3.47Å; V291-V358 VanDerWaalsContact CG1-CG2 3.47Å; F292-V358 PolarHBondContact O-N 2.8Å; T293-V358 WeakPolarHBondContact CA-O 3.41Å; K294-V358 PolarHBondContact N-O 2.7Å; I317-V358 HydrophobicContact CD1-CB 4.3Å; I317-V358 HydrophobicContact CD1-CG2 3.87Å; A332-V358 HydrophobicContact CB-CG1 4.08Å; V334-V358 HydrophobicContact CG2-CG1 4.4Å; V334-V358 HydrophobicContact CG2-CG2 4.11Å; L352-V358 HydrophobicContact CD1-CG2 4.06Å; L352-V358 HydrophobicContact CD2-CG2 3.77Å; V358-I360 HydrophobicContact CG1-CD1 3.75Å
359Q94.5Very high92.9Very high21 Ų2162.9 Ų62.910%0.09831%0.305CS..EExtended strand (participates in β ladder)trans-114.1112.8169.3178-177.8-55.600109.4K294 A332 L333 W335K294-Q359 HydrophobicContact CB-CB 4.3Å; K294-Q359 WeakPolarHBondContact O-CA 3.33Å; K294-Q359 WeakPolarHBondContact O-CB 3.41Å; K294-Q359 WeakPolarHBondContact O-CG 3.07Å; A332-Q359 WeakPolarHBondContact CA-O 3.46Å; L333-Q359 HydrophobicContact CB-CB 4.22Å; L333-Q359 PolarHBondContact N-O 3.21Å; L333-Q359 PolarHBondContact O-N 2.98Å; W335-Q359 HydrophobicContact CH2-CB 3.91Å; W335-Q359 HydrophobicContact CZ3-CB 3.61Å
360I93Very high92.8Very high36 Ų3658 Ų5819%0.18528%0.277CS..EExtended strand (participates in β ladder)trans-75.8126.9177.4-56.3-57.5000110.2V314 L325 C329 A332 V358V314-I360 HydrophobicContact CG1-CD1 3.93Å; L325-I360 HydrophobicContact CD1-CG2 4.13Å; L325-I360 HydrophobicContact CD2-CG1 4.29Å; L325-I360 HydrophobicContact CD2-CG2 4.38Å; L325-I360 HydrophobicContact CG-CG2 4.17Å; C329-I360 HydrophobicContact CB-CG2 4.37Å; A332-I360 HydrophobicContact CB-CD1 4.06Å; V358-I360 HydrophobicContact CG1-CD1 3.75Å
361V91.8Very high92.6Very high44 Ų4459 Ų5927%0.26728%0.283SS..EExtended strand (participates in β ladder)trans-102.9114.5173.3-174.60000108.1K330 C331 L333K330-V361 PolarHBondContact N-O 2.99Å; C331-V361 PolarHBondContact N-O 2.78Å; C331-V361 WeakPolarHBondContact O-CA 3.42Å; C331-V361 VanDerWaalsContact O-CB 3.28Å; C331-V361 WeakPolarHBondContact O-CB 3.47Å; C331-V361 PolarHBondContact O-N 3.35Å; L333-V361 HydrophobicContact CD1-CG2 4.19Å; L333-V361 HydrophobicContact CG-CG2 4.38Å
362K88.7Confident92.5Very high124 Ų12458.3 Ų58.354%0.53927%0.272SS..EExtended strand (participates in β ladder)trans-74.6155.7175.5-61.8-174.7-179-1720110.7L325 Q328L325-K362 HydrophobicContact CD1-CD 4.48Å; L325-K362 VanDerWaalsContact CD1-CE 3.5Å; L325-K362 HydrophobicContact CD1-CG 4.43Å; Q328-K362 CarbonylContact O-C 3.58Å; Q328-K362 WeakPolarHBondContact O-CA 3.31Å
363K83.7Confident92.4Very high196 Ų19663.6 Ų63.685%0.85230%0.297SS*.  trans-57.70176.2-74.6174.8-177.7164.90113.4S327 Q328 K330S327-K363 PolarHBondContact O-NZ 2.72Å; S327-K363 VanDerWaalsContact O-NZ 3.09Å; Q328-K363 PolarHBondContact O-N 3.36Å; K330-K363 HydrophobicContact CB-CG 3.86Å

Retrieved 363 of 363 residues in 78.1 ms (Link to these results)

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