A0A5K4F3R5_SCHMA Loading...

Glyco_hydro_5_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3R5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 557 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
1M89.5Confident91.6Very high140 Ų14075.1 Ų75.169%0.6938%0.383SS*.  01340-177.1175.582.100108.6N3 F47 T138M1-N3 HydrophobicContact CE-CB 4.2Å; M1-F47 HydrophobicContact CB-CB 4.13Å; M1-F47 HydrophobicContact CG-CB 4.13Å; M1-T138 HydrophobicContact SD-CG2 3.72Å
2I91.2Very high91.9Very high32 Ų3281 Ų8116%0.16442%0.415CS..  trans-113.193.9176.9-57.4148.2000105.9P5 F29 Y30 L33 I46 F47I2-P5 HydrophobicContact CG2-CG 4.35Å; I2-F29 HydrophobicContact CG2-CE1 4.14Å; I2-Y30 HydrophobicContact CB-CE1 3.95Å; I2-Y30 HydrophobicContact CD1-CD1 3.85Å; I2-Y30 HydrophobicContact CD1-CE1 3.75Å; I2-Y30 HydrophobicContact CG1-CE1 4.46Å; I2-Y30 HydrophobicContact CG2-CE1 3.75Å; I2-L33 HydrophobicContact CD1-CD2 3.41Å; I2-L33 VanDerWaalsContact CD1-CD2 3.41Å; I2-L33 HydrophobicContact CD1-CG 4.35Å; I2-L33 HydrophobicContact CG1-CD2 3.83Å; I2-L33 HydrophobicContact CG2-CD2 4.48Å; I2-I46 HydrophobicContact CD1-CG2 4.12Å; I2-F47 PolarHBondContact N-O 3.05Å; I2-F47 VanDerWaalsContact N-O 3.13Å
3N92Very high92.1Very high66 Ų6679.8 Ų79.835%0.35341%0.41SS..  trans-84130.9-170.8-150.663.2000111.1M1 P5 E139M1-N3 HydrophobicContact CE-CB 4.2Å; N3-P5 VanDerWaalsContact C-CD 3.46Å; N3-E139 PolarHBondContact ND2-OE1 3.38Å; N3-E139 VanDerWaalsContact ND2-OE1 3.11Å
4E91.9Very high92.2Very high96 Ų9679.9 Ų79.945%0.44942%0.418SS..  trans41.551.6169.6-56.1-167.5154.100115.5E49 T52 H89E4-E49 WeakPolarHBondContact CA-OE2 3.17Å; E4-E49 PolarHBondContact N-OE2 2.94Å; E4-T52 HydrophobicContact CG-CG2 3.89Å; E4-T52 WeakPolarHBondContact OE1-CG2 3.43Å; E4-H89 IonicContact OE1-CE1 2.65Å; E4-H89 PolarHBondContact OE1-CE1 3.44Å; E4-H89 VanDerWaalsContact OE1-CE1 3.31Å; E4-H89 IonicContact OE1-ND1 2.67Å; E4-H89 PolarHBondContact OE1-ND1 3.07Å; E4-H89 VanDerWaalsContact OE1-ND1 3.08Å
5P90.6Very high92.4Very high18 Ų1883.4 Ų83.412%0.11743%0.429CS..  trans-63.3139.9175.326.8-31.9000110I2 N3 L26 F29 Y30I2-P5 HydrophobicContact CG2-CG 4.35Å; N3-P5 VanDerWaalsContact C-CD 3.46Å; P5-L26 HydrophobicContact CB-CD2 4.03Å; P5-L26 HydrophobicContact CG-CD2 3.77Å; P5-F29 HydrophobicContact CB-CE1 4.16Å; P5-Y30 HydrophobicContact CG-CE1 4.47Å; P5-Y30 WeakPolarHBondContact CG-OH 3.31Å
6P91.3Very high92.5Very high93 Ų9379.1 Ų79.160%0.60441%0.407SS*.  trans-60.1145.1174.526.5-33.8000109.1G8P6-G8 PolarHBondContact O-N 3.48Å
7P91.8Very high92.5Very high13 Ų1379.4 Ų79.48%0.08441%0.409CS..  trans-67.34.1179.529.7-36.6000113.3F10 L16 A22 N25 V51P7-F10 HydrophobicContact CG-CD1 4.4Å; P7-L16 HydrophobicContact CB-CB 4.38Å; P7-L16 VanDerWaalsContact CB-O 3.32Å; P7-L16 WeakPolarHBondContact CB-O 3.4Å; P7-A22 HydrophobicContact CB-CB 3.78Å; P7-N25 PolarHBondContact O-ND2 2.79Å; P7-V51 HydrophobicContact CB-CG1 3.76Å; P7-V51 HydrophobicContact CG-CG1 4.15Å
8G91.8Very high92.4Very high25 Ų2580.1 Ų80.126%0.25841%0.413SS..SBendtrans119.5-170.1-171.600000110.6P6 F10P6-G8 PolarHBondContact O-N 3.48Å; G8-F10 VanDerWaalsContact C-N 3.32Å; G8-F10 PolarHBondContact O-N 3.45Å
9N92.2Very high92.3Very high83 Ų8376.5 Ų76.544%0.44440%0.396SS..  trans-78.682.8176.7-169.9-16.7000110.6Y11 L12 N13N9-Y11 PolarHBondContact O-N 3.37Å; N9-Y11 WeakPolarHBondContact OD1-CB 3.27Å; N9-Y11 PolarHBondContact OD1-N 3.31Å; N9-L12 HydrophobicContact CB-CB 4.46Å; N9-L12 HydrophobicContact CB-CD1 4.33Å; N9-L12 HydrophobicContact CB-CG 4.46Å; N9-L12 VanDerWaalsContact ND2-CD1 3.33Å; N9-L12 WeakPolarHBondContact ND2-CD1 3.39Å; N9-L12 WeakPolarHBondContact ND2-CG 3.32Å; N9-L12 PolarHBondContact O-N 3.07Å; N9-L12 VanDerWaalsContact O-N 3.07Å; N9-L12 PolarHBondContact OD1-N 2.79Å; N9-N13 PolarHBondContact O-N 3.19Å
10F91.9Very high92.2Very high66 Ų6676.1 Ų76.129%0.28939%0.394SS..THydrogen-bonded Turntrans-67.5-13.1179.761.4-96.6000113.6P7 G8 N13 P14 L16 L17P7-F10 HydrophobicContact CG-CD1 4.4Å; G8-F10 VanDerWaalsContact C-N 3.32Å; G8-F10 PolarHBondContact O-N 3.45Å; F10-N13 WeakPolarHBondContact CA-O 3.4Å; F10-N13 CarbonylContact O-C 3.5Å; F10-N13 VanDerWaalsContact O-C 3.26Å; F10-P14 VanDerWaalsContact O-CA 3.23Å; F10-P14 WeakPolarHBondContact O-CA 3.44Å; F10-P14 VanDerWaalsContact O-N 3.1Å; F10-L16 HydrophobicContact CB-CB 4.2Å; F10-L17 HydrophobicContact CB-CD2 4.08Å; F10-L17 HydrophobicContact CB-CG 4.14Å; F10-L17 HydrophobicContact CD1-CD2 4.49Å; F10-L17 HydrophobicContact CD2-CD2 4.26Å; F10-L17 HydrophobicContact CG-CD2 4.03Å; F10-L17 HydrophobicContact CG-CG 4.5Å
11Y93.6Very high92.3Very high194 Ų19475.1 Ų75.176%0.76139%0.389SS*.THydrogen-bonded Turntrans-70.5-34.2169.7-62.3-78.4000112N9N9-Y11 PolarHBondContact O-N 3.37Å; N9-Y11 WeakPolarHBondContact OD1-CB 3.27Å; N9-Y11 PolarHBondContact OD1-N 3.31Å
12L94.9Very high92.5Very high146 Ų14668.4 Ų68.476%0.76436%0.356SS*.THydrogen-bonded Turntrans-83.3-32.7174.3-66.9179.1000112.3N9N9-L12 HydrophobicContact CB-CB 4.46Å; N9-L12 HydrophobicContact CB-CD1 4.33Å; N9-L12 HydrophobicContact CB-CG 4.46Å; N9-L12 VanDerWaalsContact ND2-CD1 3.33Å; N9-L12 WeakPolarHBondContact ND2-CD1 3.39Å; N9-L12 WeakPolarHBondContact ND2-CG 3.32Å; N9-L12 PolarHBondContact O-N 3.07Å; N9-L12 VanDerWaalsContact O-N 3.07Å; N9-L12 PolarHBondContact OD1-N 2.79Å
13N94.2Very high92.6Very high65 Ų6566.9 Ų66.935%0.34835%0.348SS..  trans-135.689177.4-176.76.4000111N9 F10 F15 L16N9-N13 PolarHBondContact O-N 3.19Å; F10-N13 WeakPolarHBondContact CA-O 3.4Å; F10-N13 CarbonylContact O-C 3.5Å; F10-N13 VanDerWaalsContact O-C 3.26Å; N13-F15 PolarHBondContact O-N 3.18Å; N13-F15 WeakPolarHBondContact OD1-CB 3.32Å; N13-F15 WeakPolarHBondContact OD1-CD2 3.46Å; N13-F15 PolarHBondContact OD1-N 3.16Å; N13-L16 HydrophobicContact CB-CD1 3.95Å; N13-L16 HydrophobicContact CB-CG 4.08Å; N13-L16 VanDerWaalsContact O-CB 3.31Å; N13-L16 WeakPolarHBondContact O-CB 3.43Å; N13-L16 WeakPolarHBondContact O-CG 3.32Å; N13-L16 PolarHBondContact O-N 3.32Å
14P94.4Very high92.7Very high82 Ų8268.3 Ų68.353%0.53235%0.352SS..G310 helixtrans-58.6-21.4179.8-26.935.5000114.3F10 L16 L17F10-P14 VanDerWaalsContact O-CA 3.23Å; F10-P14 WeakPolarHBondContact O-CA 3.44Å; F10-P14 VanDerWaalsContact O-N 3.1Å; P14-L16 PolarHBondContact O-N 3.02Å; P14-L17 WeakPolarHBondContact O-CB 3.35Å; P14-L17 WeakPolarHBondContact O-CG 3.28Å; P14-L17 PolarHBondContact O-N 3.39Å
15F94.8Very high92.8Very high132 Ų13266.7 Ų66.758%0.57935%0.347SS*.G310 helixtrans-64.8-17.4175.3-65-71.6000113.2N13 L17 L18 I21N13-F15 PolarHBondContact O-N 3.18Å; N13-F15 WeakPolarHBondContact OD1-CB 3.32Å; N13-F15 WeakPolarHBondContact OD1-CD2 3.46Å; N13-F15 PolarHBondContact OD1-N 3.16Å; F15-L17 PolarHBondContact O-N 3.27Å; F15-L17 VanDerWaalsContact O-N 3.15Å; F15-L18 HydrophobicContact CD1-CD1 4.02Å; F15-L18 WeakPolarHBondContact O-CB 3.42Å; F15-L18 PolarHBondContact O-N 2.92Å; F15-I21 HydrophobicContact CB-CD1 3.68Å; F15-I21 HydrophobicContact CG-CD1 4.46Å
16L93.8Very high93.1Very high15 Ų1566 Ų668%0.07934%0.342CS..G310 helixtrans-63.9-10.6170.1-66.1170.2000113P7 F10 N13 P14 L18 I21 A22 N25P7-L16 HydrophobicContact CB-CB 4.38Å; P7-L16 VanDerWaalsContact CB-O 3.32Å; P7-L16 WeakPolarHBondContact CB-O 3.4Å; F10-L16 HydrophobicContact CB-CB 4.2Å; N13-L16 HydrophobicContact CB-CD1 3.95Å; N13-L16 HydrophobicContact CB-CG 4.08Å; N13-L16 VanDerWaalsContact O-CB 3.31Å; N13-L16 WeakPolarHBondContact O-CB 3.43Å; N13-L16 WeakPolarHBondContact O-CG 3.32Å; N13-L16 PolarHBondContact O-N 3.32Å; P14-L16 PolarHBondContact O-N 3.02Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-I21 HydrophobicContact CD2-CG2 4.03Å; L16-A22 VanDerWaalsContact O-CB 3.23Å; L16-A22 WeakPolarHBondContact O-CB 3.49Å; L16-N25 HydrophobicContact CD2-CB 3.88Å
17L91.9Very high93.3Very high83 Ų8362 Ų6244%0.43532%0.316SS..G310 helixtrans-78.7-17.9169.5-62.8174.9000112.6F10 P14 F15 Y53F10-L17 HydrophobicContact CB-CD2 4.08Å; F10-L17 HydrophobicContact CB-CG 4.14Å; F10-L17 HydrophobicContact CD1-CD2 4.49Å; F10-L17 HydrophobicContact CD2-CD2 4.26Å; F10-L17 HydrophobicContact CG-CD2 4.03Å; F10-L17 HydrophobicContact CG-CG 4.5Å; P14-L17 WeakPolarHBondContact O-CB 3.35Å; P14-L17 WeakPolarHBondContact O-CG 3.28Å; P14-L17 PolarHBondContact O-N 3.39Å; F15-L17 PolarHBondContact O-N 3.27Å; F15-L17 VanDerWaalsContact O-N 3.15Å; L17-Y53 WeakPolarHBondContact CA-OH 3.2Å; L17-Y53 VanDerWaalsContact O-CE2 3.31Å; L17-Y53 WeakPolarHBondContact O-CE2 3.13Å; L17-Y53 PolarHBondContact O-OH 3Å
18L92Very high93.4Very high92 Ų9266.9 Ų66.948%0.48234%0.34SS..SBendtrans-76.4125.7175.2-63.1178.5000109.5F15 L16 N20 I21 A22F15-L18 HydrophobicContact CD1-CD1 4.02Å; F15-L18 WeakPolarHBondContact O-CB 3.42Å; F15-L18 PolarHBondContact O-N 2.92Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L18-N20 PolarHBondContact O-N 3Å; L18-I21 HydrophobicContact CB-CD1 4.45Å; L18-I21 HydrophobicContact CD1-CD1 4.21Å; L18-I21 PolarHBondContact O-N 3.04Å; L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 2.79Å
19P90.7Very high93.5Very high13 Ų1370.1 Ų70.18%0.08435%0.347CS..Hα-helixtrans-52.8-37.6-173.8-29.333.9000114.7I21 G23 V51 Y53 F57 G65 T66P19-I21 PolarHBondContact O-N 2.84Å; P19-G23 PolarHBondContact O-N 2.86Å; P19-V51 HydrophobicContact CB-CG2 4.27Å; P19-Y53 HydrophobicContact CG-CD2 4.05Å; P19-Y53 HydrophobicContact CG-CE2 3.84Å; P19-F57 HydrophobicContact CG-CD2 3.87Å; P19-F57 HydrophobicContact CG-CE2 4.06Å; P19-F57 HydrophobicContact CG-CG 4.18Å; P19-F57 HydrophobicContact CG-CZ 4.49Å; P19-G65 WeakPolarHBondContact CB-O 3.26Å; P19-T66 CarbonylContact O-C 3.26Å; P19-T66 VanDerWaalsContact O-O 3.13Å
20N90.2Very high93.8Very high67 Ų6766.1 Ų66.136%0.35833%0.326SS..Hα-helixtrans-60.3-45.6178.5-173.224.6000112.8L18 Q24L18-N20 PolarHBondContact O-N 3Å; N20-Q24 WeakPolarHBondContact O-CG 3.23Å; N20-Q24 PolarHBondContact O-N 3.47Å; N20-Q24 PolarHBondContact OD1-NE2 3.49Å
21I93.1Very high94Very high56 Ų5663.5 Ų63.529%0.28732%0.315SS..Hα-helixtrans-78.4-39.9-177.1-59.6172.6000109.6F15 L16 L18 P19 G23 Q24 N25F15-I21 HydrophobicContact CB-CD1 3.68Å; F15-I21 HydrophobicContact CG-CD1 4.46Å; L16-I21 HydrophobicContact CD2-CG2 4.03Å; L18-I21 HydrophobicContact CB-CD1 4.45Å; L18-I21 HydrophobicContact CD1-CD1 4.21Å; L18-I21 PolarHBondContact O-N 3.04Å; P19-I21 PolarHBondContact O-N 2.84Å; I21-G23 PolarHBondContact O-N 2.79Å; I21-Q24 PolarHBondContact O-N 2.83Å; I21-N25 PolarHBondContact O-N 3.34Å
22A94.3Very high94.1Very high0 Ų062 Ų620%031%0.309CS..Hα-helixtrans-55.3-50.5173.400000111.9P7 L16 L18 Q24 N25 L26 V51P7-A22 HydrophobicContact CB-CB 3.78Å; L16-A22 VanDerWaalsContact O-CB 3.23Å; L16-A22 WeakPolarHBondContact O-CB 3.49Å; L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 2.79Å; A22-Q24 PolarHBondContact O-N 2.91Å; A22-N25 PolarHBondContact O-N 3.42Å; A22-L26 WeakPolarHBondContact O-CB 3.41Å; A22-L26 WeakPolarHBondContact O-CG 3.31Å; A22-L26 PolarHBondContact O-N 3.04Å; A22-V51 HydrophobicContact CB-CG1 3.64Å; A22-V51 HydrophobicContact CB-CG2 4.11Å
23G94.1Very high94.1Very high0 Ų057 Ų570%028%0.283CS..Hα-helixtrans-61.8-40.6-179.100000113.1P19 I21 L26 L27 T66P19-G23 PolarHBondContact O-N 2.86Å; I21-G23 PolarHBondContact O-N 2.79Å; G23-L26 PolarHBondContact O-N 3.15Å; G23-L27 WeakPolarHBondContact O-CB 3.44Å; G23-L27 WeakPolarHBondContact O-CG 3.26Å; G23-L27 PolarHBondContact O-N 2.89Å; G23-T66 VanDerWaalsContact CA-O 3.28Å; G23-T66 WeakPolarHBondContact CA-O 3.39Å
24Q92.9Very high94.2Very high95 Ų9554.4 Ų54.444%0.44427%0.269SS..Hα-helixtrans-63.8-43.6175.1-70.6175.731.400112N20 I21 A22 L27 L28N20-Q24 WeakPolarHBondContact O-CG 3.23Å; N20-Q24 PolarHBondContact O-N 3.47Å; N20-Q24 PolarHBondContact OD1-NE2 3.49Å; I21-Q24 PolarHBondContact O-N 2.83Å; A22-Q24 PolarHBondContact O-N 2.91Å; Q24-L27 PolarHBondContact O-N 2.96Å; Q24-L28 PolarHBondContact O-N 3.31Å
25N95.1Very high94.2Very high62 Ų6253.4 Ų53.433%0.33226%0.26SS..Hα-helixtrans-67.3-42.5178.7-167.355.6000111.7P7 L16 I21 A22 L27 L28 F29P7-N25 PolarHBondContact O-ND2 2.79Å; L16-N25 HydrophobicContact CD2-CB 3.88Å; I21-N25 PolarHBondContact O-N 3.34Å; A22-N25 PolarHBondContact O-N 3.42Å; N25-L27 VanDerWaalsContact C-N 3.32Å; N25-L27 PolarHBondContact O-N 3.47Å; N25-L28 PolarHBondContact O-N 3.34Å; N25-F29 PolarHBondContact O-N 3.22Å
26L95.9Very high94.3Very high3 Ų349.8 Ų49.82%0.01625%0.248CC..Hα-helixtrans-62.1-37.8174.8-75.5174.9000112P5 A22 G23 L28 F29 Y30 V51 M68P5-L26 HydrophobicContact CB-CD2 4.03Å; P5-L26 HydrophobicContact CG-CD2 3.77Å; A22-L26 WeakPolarHBondContact O-CB 3.41Å; A22-L26 WeakPolarHBondContact O-CG 3.31Å; A22-L26 PolarHBondContact O-N 3.04Å; G23-L26 PolarHBondContact O-N 3.15Å; L26-L28 VanDerWaalsContact C-N 3.31Å; L26-L28 PolarHBondContact O-N 3.11Å; L26-F29 WeakPolarHBondContact O-CB 3.44Å; L26-F29 PolarHBondContact O-N 3.1Å; L26-Y30 HydrophobicContact CB-CD2 4.17Å; L26-Y30 HydrophobicContact CB-CE2 3.93Å; L26-Y30 WeakPolarHBondContact O-CD2 3.34Å; L26-Y30 PolarHBondContact O-N 3.09Å; L26-V51 HydrophobicContact CD1-CG1 4.3Å; L26-M68 HydrophobicContact CB-CE 3.55Å; L26-M68 HydrophobicContact CD1-CE 3.92Å; L26-M68 HydrophobicContact CG-CE 4.41Å
27L95.1Very high94.4Very high10 Ų1051.7 Ų51.75%0.05226%0.258CS..Hα-helixtrans-60.7-38.6176.1-82.3174.8000112.9G23 Q24 N25 Y30 D31 M68 R70 P72G23-L27 WeakPolarHBondContact O-CB 3.44Å; G23-L27 WeakPolarHBondContact O-CG 3.26Å; G23-L27 PolarHBondContact O-N 2.89Å; Q24-L27 PolarHBondContact O-N 2.96Å; N25-L27 VanDerWaalsContact C-N 3.32Å; N25-L27 PolarHBondContact O-N 3.47Å; L27-Y30 PolarHBondContact O-N 2.64Å; L27-D31 WeakPolarHBondContact O-CB 3.43Å; L27-D31 VanDerWaalsContact O-CG 3.24Å; L27-D31 PolarHBondContact O-N 2.96Å; L27-M68 HydrophobicContact CD1-CB 4.05Å; L27-M68 HydrophobicContact CD1-CG 4.22Å; L27-M68 HydrophobicContact CD2-CB 4.42Å; L27-M68 HydrophobicContact CD2-CG 4.35Å; L27-M68 HydrophobicContact CD2-SD 4.45Å; L27-M68 HydrophobicContact CG-CB 4.25Å; L27-M68 HydrophobicContact CG-CG 3.97Å; L27-R70 HydrophobicContact CD1-CG 4.18Å; L27-R70 HydrophobicContact CD2-CG 4.46Å; L27-R70 WeakPolarHBondContact CD2-O 3.48Å; L27-P72 HydrophobicContact CD2-CG 4.36Å
28L94.3Very high94.6Very high115 Ų11549.8 Ų49.860%0.60225%0.245SC*.Hα-helixtrans-64.1-44.1175.6-65.6173.4000111.4Q24 N25 L26 D31 Y32Q24-L28 PolarHBondContact O-N 3.31Å; N25-L28 PolarHBondContact O-N 3.34Å; L26-L28 VanDerWaalsContact C-N 3.31Å; L26-L28 PolarHBondContact O-N 3.11Å; L28-D31 PolarHBondContact O-N 3.35Å; L28-Y32 PolarHBondContact O-N 3.18Å
29F95.1Very high94.7Very high93 Ų9353 Ų5341%0.40826%0.257SS..Hα-helixtrans-59.5-47.4174.2165.3-107.5000111.5I2 P5 N25 L26 Y32 L33I2-F29 HydrophobicContact CG2-CE1 4.14Å; P5-F29 HydrophobicContact CB-CE1 4.16Å; N25-F29 PolarHBondContact O-N 3.22Å; L26-F29 WeakPolarHBondContact O-CB 3.44Å; L26-F29 PolarHBondContact O-N 3.1Å; F29-Y32 PolarHBondContact O-N 2.84Å; F29-L33 HydrophobicContact CE1-CD2 4.29Å; F29-L33 HydrophobicContact CZ-CD2 3.98Å; F29-L33 PolarHBondContact O-N 3.08Å
30Y96.7Very high95.1Very high0 Ų058.7 Ų58.70%029%0.292CS..Hα-helixtrans-67.4-38.7-179.9-71-58000113I2 P5 L26 L27 Y32 L33 V34 E49 M68 P72I2-Y30 HydrophobicContact CB-CE1 3.95Å; I2-Y30 HydrophobicContact CD1-CD1 3.85Å; I2-Y30 HydrophobicContact CD1-CE1 3.75Å; I2-Y30 HydrophobicContact CG1-CE1 4.46Å; I2-Y30 HydrophobicContact CG2-CE1 3.75Å; P5-Y30 HydrophobicContact CG-CE1 4.47Å; P5-Y30 WeakPolarHBondContact CG-OH 3.31Å; L26-Y30 HydrophobicContact CB-CD2 4.17Å; L26-Y30 HydrophobicContact CB-CE2 3.93Å; L26-Y30 WeakPolarHBondContact O-CD2 3.34Å; L26-Y30 PolarHBondContact O-N 3.09Å; L27-Y30 PolarHBondContact O-N 2.64Å; Y30-Y32 VanDerWaalsContact C-N 3.3Å; Y30-Y32 PolarHBondContact O-N 3.14Å; Y30-L33 PolarHBondContact O-N 3.09Å; Y30-V34 WeakPolarHBondContact O-CB 3.36Å; Y30-V34 WeakPolarHBondContact O-CG2 2.99Å; Y30-V34 PolarHBondContact O-N 2.8Å; Y30-E49 VanDerWaalsContact CE2-O 3.23Å; Y30-E49 WeakPolarHBondContact CE2-O 3.44Å; Y30-E49 PolarHBondContact OH-N 3.36Å; Y30-E49 PolarHBondContact OH-O 3.47Å; Y30-M68 HydrophobicContact CD2-CE 4.17Å; Y30-M68 HydrophobicContact CE2-CE 3.76Å; Y30-P72 HydrophobicContact CD2-CG 4.17Å; Y30-P72 HydrophobicContact CG-CB 4.49Å; Y30-P72 HydrophobicContact CG-CG 3.92Å
31D96.5Very high95.3Very high10 Ų1058.2 Ų58.25%0.05329%0.29CS..Hα-helixtrans-59.8-43.5176.4-75-18.6000111.5L27 L28 N35 R70 G73L27-D31 WeakPolarHBondContact O-CB 3.43Å; L27-D31 VanDerWaalsContact O-CG 3.24Å; L27-D31 PolarHBondContact O-N 2.96Å; L28-D31 PolarHBondContact O-N 3.35Å; D31-N35 WeakPolarHBondContact O-CB 3.42Å; D31-N35 PolarHBondContact O-N 3.41Å; D31-N35 PolarHBondContact O-ND2 3.02Å; D31-R70 VanDerWaalsContact CG-NH1 3.29Å; D31-R70 IonicContact OD1-CZ 3.89Å; D31-R70 IonicContact OD1-NH1 2.73Å; D31-R70 PolarHBondContact OD1-NH1 3.24Å; D31-R70 IonicContact OD1-NH2 2.78Å; D31-R70 IonicContact OD2-CZ 3.42Å; D31-R70 VanDerWaalsContact OD2-CZ 3.24Å; D31-R70 IonicContact OD2-NH1 3.08Å; D31-R70 PolarHBondContact OD2-NH1 3.05Å; D31-R70 IonicContact OD2-NH2 3.02Å; D31-R70 PolarHBondContact OD2-NH2 3.36Å; D31-G73 PolarHBondContact OD1-N 3.46Å
32Y95.7Very high95.4Very high162 Ų16262.5 Ų62.564%0.63531%0.307SS*.Hα-helixtrans-59.8-50.5174.3173.6-97.4000111.1L28 F29 Y30 V34 N35 V36L28-Y32 PolarHBondContact O-N 3.18Å; F29-Y32 PolarHBondContact O-N 2.84Å; Y30-Y32 VanDerWaalsContact C-N 3.3Å; Y30-Y32 PolarHBondContact O-N 3.14Å; Y32-V34 PolarHBondContact O-N 2.89Å; Y32-N35 WeakPolarHBondContact O-CB 3.01Å; Y32-N35 PolarHBondContact O-N 2.83Å; Y32-V36 HydrophobicContact CD1-CG2 4.47Å; Y32-V36 HydrophobicContact CE1-CG2 3.99Å; Y32-V36 HydrophobicContact CE2-CG2 4.23Å; Y32-V36 WeakPolarHBondContact O-CG2 3.48Å; Y32-V36 PolarHBondContact O-N 2.83Å; Y32-V36 VanDerWaalsContact O-N 3.08Å
33L95.5Very high95.3Very high43 Ų4367.8 Ų67.823%0.22534%0.335CS..Hα-helixtrans-65-41-177.1-176.657.6000112.5I2 F29 Y30 N35 V36 I37I2-L33 HydrophobicContact CD1-CD2 3.41Å; I2-L33 VanDerWaalsContact CD1-CD2 3.41Å; I2-L33 HydrophobicContact CD1-CG 4.35Å; I2-L33 HydrophobicContact CG1-CD2 3.83Å; I2-L33 HydrophobicContact CG2-CD2 4.48Å; F29-L33 HydrophobicContact CE1-CD2 4.29Å; F29-L33 HydrophobicContact CZ-CD2 3.98Å; F29-L33 PolarHBondContact O-N 3.08Å; Y30-L33 PolarHBondContact O-N 3.09Å; L33-N35 VanDerWaalsContact C-N 3.33Å; L33-N35 PolarHBondContact O-N 3.08Å; L33-V36 PolarHBondContact O-N 3.1Å; L33-I37 HydrophobicContact CD1-CD1 4.09Å; L33-I37 HydrophobicContact CD1-CG1 4.26Å; L33-I37 HydrophobicContact CG-CD1 3.84Å; L33-I37 HydrophobicContact CG-CG1 4.44Å; L33-I37 VanDerWaalsContact O-CG1 3.31Å; L33-I37 WeakPolarHBondContact O-CG1 3.34Å; L33-I37 PolarHBondContact O-N 2.83Å
34V96.2Very high95.4Very high9 Ų971.5 Ų71.56%0.05536%0.358CS..Hα-helixtrans-59.4-45.6174.4170.30000110.2Y30 Y32 V36 I37 R38 I46 P72Y30-V34 WeakPolarHBondContact O-CB 3.36Å; Y30-V34 WeakPolarHBondContact O-CG2 2.99Å; Y30-V34 PolarHBondContact O-N 2.8Å; Y32-V34 PolarHBondContact O-N 2.89Å; V34-V36 VanDerWaalsContact C-N 3.3Å; V34-V36 PolarHBondContact O-N 2.77Å; V34-I37 PolarHBondContact O-N 2.85Å; V34-R38 HydrophobicContact CG1-CG 3.92Å; V34-R38 VanDerWaalsContact O-CB 3.28Å; V34-R38 WeakPolarHBondContact O-CB 3.46Å; V34-R38 WeakPolarHBondContact O-CG 3.14Å; V34-R38 PolarHBondContact O-N 2.84Å; V34-I46 HydrophobicContact CB-CD1 4.19Å; V34-I46 HydrophobicContact CG1-CD1 4.02Å; V34-I46 HydrophobicContact CG2-CD1 3.72Å; V34-I46 HydrophobicContact CG2-CG2 4.27Å; V34-P72 HydrophobicContact CG2-CB 3.56Å
35N95.1Very high95.5Very high61 Ų6171.1 Ų71.133%0.32636%0.358SS..Hα-helixtrans-60-41.3177.9-72.9-32.3000111.9D31 Y32 L33 Q39D31-N35 WeakPolarHBondContact O-CB 3.42Å; D31-N35 PolarHBondContact O-N 3.41Å; D31-N35 PolarHBondContact O-ND2 3.02Å; Y32-N35 WeakPolarHBondContact O-CB 3.01Å; Y32-N35 PolarHBondContact O-N 2.83Å; L33-N35 VanDerWaalsContact C-N 3.33Å; L33-N35 PolarHBondContact O-N 3.08Å; N35-Q39 WeakPolarHBondContact O-CG 3.42Å; N35-Q39 PolarHBondContact O-N 2.97Å
36V96.2Very high95.6Very high57 Ų5768.7 Ų68.735%0.34535%0.345SS..Hα-helixtrans-65.9-47.9176.1174.50000111.3Y32 L33 V34 R38 Q39Y32-V36 HydrophobicContact CD1-CG2 4.47Å; Y32-V36 HydrophobicContact CE1-CG2 3.99Å; Y32-V36 HydrophobicContact CE2-CG2 4.23Å; Y32-V36 WeakPolarHBondContact O-CG2 3.48Å; Y32-V36 PolarHBondContact O-N 2.83Å; Y32-V36 VanDerWaalsContact O-N 3.08Å; L33-V36 PolarHBondContact O-N 3.1Å; V34-V36 VanDerWaalsContact C-N 3.3Å; V34-V36 PolarHBondContact O-N 2.77Å; V36-R38 VanDerWaalsContact C-N 3.31Å; V36-R38 PolarHBondContact O-N 2.63Å; V36-Q39 WeakPolarHBondContact O-CB 3.46Å; V36-Q39 PolarHBondContact O-N 2.76Å
37I95.9Very high95.6Very high55 Ų5570.5 Ų70.528%0.28235%0.353SS..Hα-helixtrans-59.5-44.8178.6-69.8167.8000110.2L33 V34 Q39 T40 D41 I46L33-I37 HydrophobicContact CD1-CD1 4.09Å; L33-I37 HydrophobicContact CD1-CG1 4.26Å; L33-I37 HydrophobicContact CG-CD1 3.84Å; L33-I37 HydrophobicContact CG-CG1 4.44Å; L33-I37 VanDerWaalsContact O-CG1 3.31Å; L33-I37 WeakPolarHBondContact O-CG1 3.34Å; L33-I37 PolarHBondContact O-N 2.83Å; V34-I37 PolarHBondContact O-N 2.85Å; I37-Q39 PolarHBondContact O-N 2.9Å; I37-T40 PolarHBondContact O-N 3.07Å; I37-D41 PolarHBondContact O-N 2.88Å; I37-I46 HydrophobicContact CB-CD1 4.42Å; I37-I46 HydrophobicContact CD1-CD1 4.31Å; I37-I46 HydrophobicContact CG2-CD1 4.14Å
38R95.2Very high95.7Very high42 Ų4270.1 Ų70.116%0.15835%0.351CS..Hα-helixtrans-69.2-15.4-176.7-67.2-71.3173.4-1193114.5V34 V36 D41 T44V34-R38 HydrophobicContact CG1-CG 3.92Å; V34-R38 VanDerWaalsContact O-CB 3.28Å; V34-R38 WeakPolarHBondContact O-CB 3.46Å; V34-R38 WeakPolarHBondContact O-CG 3.14Å; V34-R38 PolarHBondContact O-N 2.84Å; V36-R38 VanDerWaalsContact C-N 3.31Å; V36-R38 PolarHBondContact O-N 2.63Å; R38-D41 WeakPolarHBondContact CA-O 3.46Å; R38-D41 WeakPolarHBondContact CD-O 3.12Å; R38-D41 PolarHBondContact NH1-O 3.42Å; R38-T44 VanDerWaalsContact CZ-O 3.29Å; R38-T44 PolarHBondContact NH1-O 3.46Å; R38-T44 PolarHBondContact NH2-O 2.86Å
39Q96Very high95.8Very high159 Ų15964.7 Ų64.774%0.74332%0.322SS*.Hα-helixtrans-67.5-28.2167.7-71.4171.66.600112.2N35 V36 I37N35-Q39 WeakPolarHBondContact O-CG 3.42Å; N35-Q39 PolarHBondContact O-N 2.97Å; V36-Q39 WeakPolarHBondContact O-CB 3.46Å; V36-Q39 PolarHBondContact O-N 2.76Å; I37-Q39 PolarHBondContact O-N 2.9Å
40T97.2Very high95.7Very high133 Ų13360.4 Ų60.482%0.81630%0.304SS*.Hα-helixtrans-106.1-42-176.7-520000112.2I37I37-T40 PolarHBondContact O-N 3.07Å
41D96Very high95.4Very high58 Ų5860.8 Ų60.831%0.3131%0.306SS..  trans-132.4109.4-176.6-176.9-22.4000110.7I37 R38 D43 T44I37-D41 PolarHBondContact O-N 2.88Å; R38-D41 WeakPolarHBondContact CA-O 3.46Å; R38-D41 WeakPolarHBondContact CD-O 3.12Å; R38-D41 PolarHBondContact NH1-O 3.42Å; D41-D43 PolarHBondContact OD1-N 2.92Å; D41-T44 VanDerWaalsContact CG-OG1 3.29Å; D41-T44 PolarHBondContact OD1-N 3.15Å; D41-T44 PolarHBondContact OD1-OG1 3.42Å; D41-T44 WeakPolarHBondContact OD2-CB 3.26Å; D41-T44 PolarHBondContact OD2-OG1 3.48Å
42K93.8Very high95.1Very high146 Ų14662.8 Ų62.864%0.63532%0.319SS*.SBendtrans-79.9-18.2-174.4-65.2-174.7-179.9179.80113.7K83K42-K83 PolarHBondContact O-NZ 3.23Å
43D93.4Very high94.9Very high110 Ų11058.8 Ų58.859%0.58830%0.303SS*.SBendtrans-125-25-159.5-65.2-46.7000114.8D41 K83D41-D43 PolarHBondContact OD1-N 2.92Å; D43-K83 IonicContact OD1-NZ 2.75Å; D43-K83 PolarHBondContact OD1-NZ 2.83Å
44T95Very high94.7Very high79 Ų7956.7 Ų56.749%0.48529%0.292SS..SBendtrans-59.2139.2-179-70.30000112.8R38 D41 I46R38-T44 VanDerWaalsContact CZ-O 3.29Å; R38-T44 PolarHBondContact NH1-O 3.46Å; R38-T44 PolarHBondContact NH2-O 2.86Å; D41-T44 VanDerWaalsContact CG-OG1 3.29Å; D41-T44 PolarHBondContact OD1-N 3.15Å; D41-T44 PolarHBondContact OD1-OG1 3.42Å; D41-T44 WeakPolarHBondContact OD2-CB 3.26Å; D41-T44 PolarHBondContact OD2-OG1 3.48Å; T44-I46 PolarHBondContact O-N 3.16Å
45L96Very high94.6Very high86 Ų8656.4 Ų56.445%0.4529%0.29SS..  trans-63.8129.9175.6-61.6-178.6000111.2F47 K83 V85L45-F47 HydrophobicContact CB-CD2 4.39Å; L45-F47 HydrophobicContact CB-CE2 3.89Å; L45-K83 WeakPolarHBondContact CA-O 3.42Å; L45-V85 HydrophobicContact CB-CG2 4.26Å; L45-V85 HydrophobicContact CD1-CG2 4.22Å
46I96.7Very high94.5Very high11 Ų1155.7 Ų55.76%0.05628%0.283CS..EExtended strand (participates in β ladder)trans-99.3114.3176-64.8174.9000108.9I2 V34 I37 T44 K83 S84 V85I2-I46 HydrophobicContact CD1-CG2 4.12Å; V34-I46 HydrophobicContact CB-CD1 4.19Å; V34-I46 HydrophobicContact CG1-CD1 4.02Å; V34-I46 HydrophobicContact CG2-CD1 3.72Å; V34-I46 HydrophobicContact CG2-CG2 4.27Å; I37-I46 HydrophobicContact CB-CD1 4.42Å; I37-I46 HydrophobicContact CD1-CD1 4.31Å; I37-I46 HydrophobicContact CG2-CD1 4.14Å; T44-I46 PolarHBondContact O-N 3.16Å; I46-K83 PolarHBondContact N-O 3.1Å; I46-S84 CarbonylContact O-C 3.25Å; I46-S84 WeakPolarHBondContact O-CA 3.42Å; I46-V85 PolarHBondContact O-N 2.96Å
47F97.3Very high94.4Very high42 Ų4257.7 Ų57.718%0.18429%0.288CS..EExtended strand (participates in β ladder)trans-88.6114.8173.8-67.3-116.8000108.2M1 I2 L45 V85 F136M1-F47 HydrophobicContact CB-CB 4.13Å; M1-F47 HydrophobicContact CG-CB 4.13Å; I2-F47 PolarHBondContact N-O 3.05Å; I2-F47 VanDerWaalsContact N-O 3.13Å; L45-F47 HydrophobicContact CB-CD2 4.39Å; L45-F47 HydrophobicContact CB-CE2 3.89Å; F47-V85 WeakPolarHBondContact CA-O 3.15Å; F47-V85 HydrophobicContact CD1-CB 4.01Å; F47-V85 HydrophobicContact CD1-CG1 3.81Å; F47-V85 HydrophobicContact CD2-CB 4.4Å; F47-V85 HydrophobicContact CE1-CB 4.19Å; F47-V85 HydrophobicContact CE1-CG1 3.77Å; F47-V85 HydrophobicContact CE2-CG2 4.39Å; F47-V85 HydrophobicContact CG-CB 4.12Å; F47-V85 HydrophobicContact CG-CG1 4.42Å; F47-V85 HydrophobicContact CZ-CB 4.45Å; F47-V85 HydrophobicContact CZ-CG1 4.34Å; F47-V85 HydrophobicContact CZ-CG2 4.37Å; F47-F136 HydrophobicContact CD1-CB 4.12Å; F47-F136 HydrophobicContact CD1-CG 4.32Å; F47-F136 HydrophobicContact CE1-CB 3.74Å; F47-F136 HydrophobicContact CE1-CD1 4.1Å; F47-F136 AromaticContact CE1-CD2 3.7Å; F47-F136 HydrophobicContact CE1-CD2 3.7Å; F47-F136 HydrophobicContact CE1-CE2 4.29Å; F47-F136 AromaticContact CE1-CG 3.59Å; F47-F136 HydrophobicContact CE1-CG 3.59Å; F47-F136 HydrophobicContact CZ-CD2 4.29Å
48Y96.6Very high94.1Very high2 Ų258.5 Ų58.51%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-118.5150.5179.972.2-85.4000109.6M68 V71 P72 V85 L86 S87Y48-M68 HydrophobicContact CD2-SD 3.88Å; Y48-M68 HydrophobicContact CE2-SD 3.78Å; Y48-V71 HydrophobicContact CE1-CB 4.45Å; Y48-V71 HydrophobicContact CE1-CG1 4.25Å; Y48-P72 HydrophobicContact CD1-CG 3.95Å; Y48-P72 HydrophobicContact CD2-CG 3.98Å; Y48-P72 HydrophobicContact CG-CG 3.65Å; Y48-V85 WeakPolarHBondContact CD1-O 3.5Å; Y48-V85 PolarHBondContact N-O 3.06Å; Y48-L86 HydrophobicContact CD2-CD1 4.27Å; Y48-L86 HydrophobicContact CE1-CB 4.41Å; Y48-L86 HydrophobicContact CE2-CB 4.44Å; Y48-L86 HydrophobicContact CE2-CD1 3.73Å; Y48-S87 WeakPolarHBondContact O-CB 3.29Å; Y48-S87 PolarHBondContact O-N 3.16Å
49E95.3Very high93.9Very high1 Ų159.7 Ų59.71%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-128.3144.1-174.9-154.9-169.4149.200111.1E4 Y30 T52 M68 S87 H89E4-E49 WeakPolarHBondContact CA-OE2 3.17Å; E4-E49 PolarHBondContact N-OE2 2.94Å; Y30-E49 VanDerWaalsContact CE2-O 3.23Å; Y30-E49 WeakPolarHBondContact CE2-O 3.44Å; Y30-E49 PolarHBondContact OH-N 3.36Å; Y30-E49 PolarHBondContact OH-O 3.47Å; E49-T52 VanDerWaalsContact OE1-CG2 3.25Å; E49-T52 WeakPolarHBondContact OE1-CG2 3.45Å; E49-M68 WeakPolarHBondContact O-CE 3.32Å; E49-S87 WeakPolarHBondContact CG-O 3.36Å; E49-H89 IonicContact OE1-CE1 3.23Å; E49-H89 PolarHBondContact OE1-CE1 3.38Å; E49-H89 IonicContact OE1-ND1 3.47Å; E49-H89 IonicContact OE1-NE2 3.97Å; E49-H89 IonicContact OE2-CE1 3.84Å; E49-H89 IonicContact OE2-NE2 2.94Å
50S92.9Very high93.4Very high3 Ų356.3 Ų56.32%0.02129%0.293CS..  trans-77.5-177.1163.664.90000110.9T52 T66S50-T52 PolarHBondContact O-N 3.24Å; S50-T66 WeakPolarHBondContact OG-CG2 3.36Å
51V92.3Very high92.9Very high8 Ų857.6 Ų57.65%0.04830%0.295CS..  trans-55.8137158.1-71.30000109.2P7 P19 A22 L26 Y53 G54P7-V51 HydrophobicContact CB-CG1 3.76Å; P7-V51 HydrophobicContact CG-CG1 4.15Å; P19-V51 HydrophobicContact CB-CG2 4.27Å; A22-V51 HydrophobicContact CB-CG1 3.64Å; A22-V51 HydrophobicContact CB-CG2 4.11Å; L26-V51 HydrophobicContact CD1-CG1 4.3Å; V51-Y53 HydrophobicContact CB-CD1 4.41Å; V51-Y53 HydrophobicContact CB-CE1 3.94Å; V51-Y53 HydrophobicContact CB-CE2 4.25Å; V51-Y53 HydrophobicContact CG2-CD2 4.18Å; V51-Y53 HydrophobicContact CG2-CE1 4.38Å; V51-Y53 HydrophobicContact CG2-CE2 3.78Å; V51-Y53 PolarHBondContact O-N 3.08Å; V51-Y53 VanDerWaalsContact O-N 3.13Å; V51-G54 PolarHBondContact O-N 3.05Å
52T90Very high92.4Very high51 Ų5157.6 Ų57.631%0.31331%0.308SS..G310 helixtrans-54.7-35.9-170.750.90000113.1E4 E49 S50E4-T52 HydrophobicContact CG-CG2 3.89Å; E4-T52 WeakPolarHBondContact OE1-CG2 3.43Å; E49-T52 VanDerWaalsContact OE1-CG2 3.25Å; E49-T52 WeakPolarHBondContact OE1-CG2 3.45Å; S50-T52 PolarHBondContact O-N 3.24Å
53Y90.6Very high92.2Very high78 Ų7852.5 Ų52.531%0.30629%0.287SS..G310 helixtrans-82.2-11178.352.5-92.5000114.3L17 P19 V51 I55 Y56 F57L17-Y53 WeakPolarHBondContact CA-OH 3.2Å; L17-Y53 VanDerWaalsContact O-CE2 3.31Å; L17-Y53 WeakPolarHBondContact O-CE2 3.13Å; L17-Y53 PolarHBondContact O-OH 3Å; P19-Y53 HydrophobicContact CG-CD2 4.05Å; P19-Y53 HydrophobicContact CG-CE2 3.84Å; V51-Y53 HydrophobicContact CB-CD1 4.41Å; V51-Y53 HydrophobicContact CB-CE1 3.94Å; V51-Y53 HydrophobicContact CB-CE2 4.25Å; V51-Y53 HydrophobicContact CG2-CD2 4.18Å; V51-Y53 HydrophobicContact CG2-CE1 4.38Å; V51-Y53 HydrophobicContact CG2-CE2 3.78Å; V51-Y53 PolarHBondContact O-N 3.08Å; V51-Y53 VanDerWaalsContact O-N 3.13Å; Y53-I55 VanDerWaalsContact C-N 3.25Å; Y53-I55 PolarHBondContact O-N 3.15Å; Y53-Y56 PolarHBondContact O-N 2.99Å; Y53-F57 HydrophobicContact CD2-CE2 4.04Å; Y53-F57 VanDerWaalsContact O-CD2 3.3Å; Y53-F57 WeakPolarHBondContact O-CD2 3.24Å
54G92.3Very high92.1Very high0 Ų047.4 Ų47.40%026%0.26CS..G310 helixtrans-63.7-27.8-175.600000113.8V51 Y56 F57 G65V51-G54 PolarHBondContact O-N 3.05Å; G54-Y56 PolarHBondContact O-N 3.38Å; G54-F57 PolarHBondContact O-N 3.07Å; G54-G65 CarbonylContact O-C 3.54Å; G54-G65 VanDerWaalsContact O-C 3.25Å
55I93.7Very high91.8Very high2 Ų244 Ų441%0.0124%0.241CC..G310 helixtrans-69.1-16.4177.966.2168.5000113.9Y53 T66 Y88 H89 T120 N123 V124Y53-I55 VanDerWaalsContact C-N 3.25Å; Y53-I55 PolarHBondContact O-N 3.15Å; I55-T66 HydrophobicContact CG2-CG2 4.31Å; I55-Y88 HydrophobicContact CD1-CD2 3.7Å; I55-Y88 HydrophobicContact CD1-CG 4.39Å; I55-H89 WeakPolarHBondContact CD1-O 3.07Å; I55-T120 HydrophobicContact CD1-CG2 3.59Å; I55-T120 HydrophobicContact CG1-CG2 4.31Å; I55-N123 PolarHBondContact O-ND2 2.93Å; I55-V124 HydrophobicContact CB-CG2 4.22Å; I55-V124 HydrophobicContact CG2-CG2 4.24Å
56Y93.2Very high91.7Very high46 Ų4640 Ų4018%0.1822%0.22CC..G310 helixtrans-89-4.9178.1-57.3-73.2000112.6Y53 G54 H89 Y90 Y91 W93 L116 Y119 T120Y53-Y56 PolarHBondContact O-N 2.99Å; G54-Y56 PolarHBondContact O-N 3.38Å; Y56-H89 PolarHBondContact OH-O 2.89Å; Y56-Y90 HydrophobicContact CE1-CD2 4.43Å; Y56-Y90 WeakPolarHBondContact OH-CA 3.48Å; Y56-Y91 PolarHBondContact OH-N 3.11Å; Y56-Y91 VanDerWaalsContact OH-N 3.11Å; Y56-W93 HydrophobicContact CD1-CZ3 4.5Å; Y56-L116 HydrophobicContact CD1-CD1 3.78Å; Y56-L116 HydrophobicContact CE1-CD1 3.97Å; Y56-L116 HydrophobicContact CE1-CG 4.39Å; Y56-Y119 WeakPolarHBondContact O-CE1 3.3Å; Y56-Y119 PolarHBondContact O-OH 3.13Å; Y56-T120 HydrophobicContact CE1-CG2 4.2Å; Y56-T120 WeakPolarHBondContact CE1-OG1 3.47Å
57F92.4Very high91.6Very high100 Ų10039.5 Ų39.544%0.43922%0.218SC..SBendtrans-94.2141.5178.6-74-98000111.4P19 Y53 G54 G65 N123P19-F57 HydrophobicContact CG-CD2 3.87Å; P19-F57 HydrophobicContact CG-CE2 4.06Å; P19-F57 HydrophobicContact CG-CG 4.18Å; P19-F57 HydrophobicContact CG-CZ 4.49Å; Y53-F57 HydrophobicContact CD2-CE2 4.04Å; Y53-F57 VanDerWaalsContact O-CD2 3.3Å; Y53-F57 WeakPolarHBondContact O-CD2 3.24Å; G54-F57 PolarHBondContact O-N 3.07Å; F57-G65 WeakPolarHBondContact O-CA 3.45Å; F57-N123 PolarHBondContact O-ND2 2.91Å
58P90Very high91.4Very high71 Ų7137.6 Ų37.646%0.46121%0.209SC..PPolyproline II helixtrans-74.7170.9178.532.8-36.5000111.6G65 Y119P58-G65 WeakPolarHBondContact O-CA 3.31Å; P58-Y119 WeakPolarHBondContact CA-OH 3.09Å
59F90.9Very high91.3Very high68 Ų6842.8 Ų42.830%0.29823%0.234SC..PPolyproline II helixtrans-65.8135.2166.8-77.8-115.4000110.8I63 P64 S126 I127F59-I63 CarbonylContact C-O 3.53Å; F59-I63 WeakPolarHBondContact CA-O 3.28Å; F59-P64 HydrophobicContact CD1-CB 4.48Å; F59-P64 HydrophobicContact CD1-CG 4.26Å; F59-P64 HydrophobicContact CE1-CB 4.01Å; F59-P64 HydrophobicContact CE1-CG 3.58Å; F59-P64 HydrophobicContact CE2-CB 4.41Å; F59-P64 HydrophobicContact CZ-CB 3.96Å; F59-P64 HydrophobicContact CZ-CG 3.87Å; F59-S126 WeakPolarHBondContact CZ-O 3.34Å; F59-I127 HydrophobicContact CE2-CG1 3.97Å; F59-I127 HydrophobicContact CZ-CG1 4.25Å
60V86.4Confident91.3Very high88 Ų8844.7 Ų44.753%0.53324%0.241SC..BIsolated β-bridgetrans-125.3121.1174.3-178.30000108.3G62 I63V60-G62 PolarHBondContact O-N 2.96Å; V60-I63 PolarHBondContact N-O 3.35Å; V60-I63 WeakPolarHBondContact O-CB 3.13Å; V60-I63 WeakPolarHBondContact O-CG1 3.49Å; V60-I63 PolarHBondContact O-N 3.43Å
61N86.9Confident91.5Very high160 Ų16044.6 Ų44.686%0.85624%0.24SC*.THydrogen-bonded Turntrans51.938.8-177-59.3-27.6000113.4I63N61-I63 PolarHBondContact O-N 2.01Å
62G85.9Confident91.7Very high57 Ų5744.2 Ų44.259%0.58824%0.238SC*.THydrogen-bonded Turntrans76.7-1-177.800000115V60V60-G62 PolarHBondContact O-N 2.96Å
63I88.2Confident92Very high39 Ų3941.9 Ų41.920%0.222%0.224CC..BIsolated β-bridgetrans-88126.3175.9-48.8-170.1000108.8F59 V60 N61 Q69F59-I63 CarbonylContact C-O 3.53Å; F59-I63 WeakPolarHBondContact CA-O 3.28Å; V60-I63 PolarHBondContact N-O 3.35Å; V60-I63 WeakPolarHBondContact O-CB 3.13Å; V60-I63 WeakPolarHBondContact O-CG1 3.49Å; V60-I63 PolarHBondContact O-N 3.43Å; N61-I63 PolarHBondContact O-N 2.01Å; I63-Q69 HydrophobicContact CG2-CG 4.06Å
64P91.5Very high92.2Very high4 Ų439.7 Ų39.73%0.02622%0.217CC..  trans-55.6147173.9-26.736.3000112.3F59 T66 G67 M68 I127F59-P64 HydrophobicContact CD1-CB 4.48Å; F59-P64 HydrophobicContact CD1-CG 4.26Å; F59-P64 HydrophobicContact CE1-CB 4.01Å; F59-P64 HydrophobicContact CE1-CG 3.58Å; F59-P64 HydrophobicContact CE2-CB 4.41Å; F59-P64 HydrophobicContact CZ-CB 3.96Å; F59-P64 HydrophobicContact CZ-CG 3.87Å; P64-T66 PolarHBondContact O-N 3.23Å; P64-G67 PolarHBondContact O-N 3.19Å; P64-M68 WeakPolarHBondContact CG-O 3.44Å; P64-I127 HydrophobicContact CB-CG1 4.11Å; P64-I127 HydrophobicContact CB-CG2 4.29Å
65G89.9Confident92.3Very high8 Ų845.4 Ų45.48%0.08225%0.247CC..THydrogen-bonded Turntrans-58.5-18.2177.700000114.1P19 G54 F57 P58 G67P19-G65 WeakPolarHBondContact CB-O 3.26Å; G54-G65 CarbonylContact O-C 3.54Å; G54-G65 VanDerWaalsContact O-C 3.25Å; F57-G65 WeakPolarHBondContact O-CA 3.45Å; P58-G65 WeakPolarHBondContact O-CA 3.31Å; G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 3.29Å
66T93.7Very high92.3Very high0 Ų050.4 Ų50.40%027%0.27CS..THydrogen-bonded Turntrans-75.2-12.217359.80000114.2P19 G23 S50 I55 P64 M68 I127P19-T66 CarbonylContact O-C 3.26Å; P19-T66 VanDerWaalsContact O-O 3.13Å; G23-T66 VanDerWaalsContact CA-O 3.28Å; G23-T66 WeakPolarHBondContact CA-O 3.39Å; S50-T66 WeakPolarHBondContact OG-CG2 3.36Å; I55-T66 HydrophobicContact CG2-CG2 4.31Å; P64-T66 PolarHBondContact O-N 3.23Å; T66-M68 PolarHBondContact O-N 2.64Å; T66-M68 PolarHBondContact OG1-N 2.95Å; T66-I127 HydrophobicContact CG2-CD1 3.69Å; T66-I127 HydrophobicContact CG2-CG1 4.42Å; T66-I127 HydrophobicContact CG2-CG2 4.33Å
67G93.2Very high92.3Very high1 Ų151.4 Ų51.41%0.0128%0.279CS..SBendtrans73.5-5.9-170.100000115P64 G65P64-G67 PolarHBondContact O-N 3.19Å; G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 3.29Å
68M94.1Very high92.3Very high2 Ų254.8 Ų54.81%0.0130%0.296CS..  trans-93115.1-177.7-60.7-175.3172.800110.6L26 L27 Y30 Y48 E49 P64 T66 T131L26-M68 HydrophobicContact CB-CE 3.55Å; L26-M68 HydrophobicContact CD1-CE 3.92Å; L26-M68 HydrophobicContact CG-CE 4.41Å; L27-M68 HydrophobicContact CD1-CB 4.05Å; L27-M68 HydrophobicContact CD1-CG 4.22Å; L27-M68 HydrophobicContact CD2-CB 4.42Å; L27-M68 HydrophobicContact CD2-CG 4.35Å; L27-M68 HydrophobicContact CD2-SD 4.45Å; L27-M68 HydrophobicContact CG-CB 4.25Å; L27-M68 HydrophobicContact CG-CG 3.97Å; Y30-M68 HydrophobicContact CD2-CE 4.17Å; Y30-M68 HydrophobicContact CE2-CE 3.76Å; Y48-M68 HydrophobicContact CD2-SD 3.88Å; Y48-M68 HydrophobicContact CE2-SD 3.78Å; E49-M68 WeakPolarHBondContact O-CE 3.32Å; P64-M68 WeakPolarHBondContact CG-O 3.44Å; T66-M68 PolarHBondContact O-N 2.64Å; T66-M68 PolarHBondContact OG1-N 2.95Å; M68-T131 VanDerWaalsContact O-CG2 3.3Å; M68-T131 WeakPolarHBondContact O-CG2 3.47Å
69Q93.9Very high92.5Very high111 Ų11155.6 Ų55.652%0.51930%0.295SS..  trans-93.5-4.8-177.6-64.8176.8-34.900113.8I63I63-Q69 HydrophobicContact CG2-CG 4.06Å
70R95.4Very high92.7Very high42 Ų4252.7 Ų52.716%0.15828%0.283CS..SBendtrans-154.8165.1-177.855.9175.6176.981.4-0110.2L27 D31 L74 L75L27-R70 HydrophobicContact CD1-CG 4.18Å; L27-R70 HydrophobicContact CD2-CG 4.46Å; L27-R70 WeakPolarHBondContact CD2-O 3.48Å; D31-R70 VanDerWaalsContact CG-NH1 3.29Å; D31-R70 IonicContact OD1-CZ 3.89Å; D31-R70 IonicContact OD1-NH1 2.73Å; D31-R70 PolarHBondContact OD1-NH1 3.24Å; D31-R70 IonicContact OD1-NH2 2.78Å; D31-R70 IonicContact OD2-CZ 3.42Å; D31-R70 VanDerWaalsContact OD2-CZ 3.24Å; D31-R70 IonicContact OD2-NH1 3.08Å; D31-R70 PolarHBondContact OD2-NH1 3.05Å; D31-R70 IonicContact OD2-NH2 3.02Å; D31-R70 PolarHBondContact OD2-NH2 3.36Å; R70-L74 HydrophobicContact CB-CB 4.41Å; R70-L74 HydrophobicContact CB-CD2 3.7Å; R70-L75 VanDerWaalsContact NH2-CD1 3.34Å
71V96.9Very high93.2Very high0 Ų054.5 Ų54.50%028%0.281CS..  trans-71153165.8-59.80000111Y48 L74 A80 R81 G132Y48-V71 HydrophobicContact CE1-CB 4.45Å; Y48-V71 HydrophobicContact CE1-CG1 4.25Å; V71-L74 HydrophobicContact CG2-CB 3.95Å; V71-L74 HydrophobicContact CG2-CD1 4.46Å; V71-L74 WeakPolarHBondContact O-CB 3.48Å; V71-L74 PolarHBondContact O-N 3.36Å; V71-A80 HydrophobicContact CG2-CB 4.06Å; V71-R81 HydrophobicContact CG2-CG 3.82Å; V71-G132 WeakPolarHBondContact CG1-O 3.06Å
72P96.6Very high93.6Very high0 Ų054.1 Ų54.10%027%0.271CS..THydrogen-bonded Turntrans-54.5142.5167.7-30.940.1000113.7L27 Y30 V34 Y48 L74L27-P72 HydrophobicContact CD2-CG 4.36Å; Y30-P72 HydrophobicContact CD2-CG 4.17Å; Y30-P72 HydrophobicContact CG-CB 4.49Å; Y30-P72 HydrophobicContact CG-CG 3.92Å; V34-P72 HydrophobicContact CG2-CB 3.56Å; Y48-P72 HydrophobicContact CD1-CG 3.95Å; Y48-P72 HydrophobicContact CD2-CG 3.98Å; Y48-P72 HydrophobicContact CG-CG 3.65Å; P72-L74 PolarHBondContact O-N 2.86Å
73G95.6Very high94Very high2 Ų253.3 Ų53.32%0.02125%0.251CS..THydrogen-bonded Turntrans77.5-4.817800000115.6D31 L75 Q76 D77D31-G73 PolarHBondContact OD1-N 3.46Å; G73-L75 PolarHBondContact O-N 2.89Å; G73-L75 VanDerWaalsContact O-N 3.16Å; G73-Q76 PolarHBondContact O-N 2.88Å; G73-Q76 PolarHBondContact O-OE1 3.25Å; G73-D77 PolarHBondContact O-N 2.85Å
74L96.1Very high94.5Very high33 Ų3351.6 Ų51.617%0.17324%0.243CC..THydrogen-bonded Turntrans-61.1-27.6-176.9-173.761.7000113.7R70 V71 P72 Q76 R81R70-L74 HydrophobicContact CB-CB 4.41Å; R70-L74 HydrophobicContact CB-CD2 3.7Å; V71-L74 HydrophobicContact CG2-CB 3.95Å; V71-L74 HydrophobicContact CG2-CD1 4.46Å; V71-L74 WeakPolarHBondContact O-CB 3.48Å; V71-L74 PolarHBondContact O-N 3.36Å; P72-L74 PolarHBondContact O-N 2.86Å; L74-Q76 PolarHBondContact O-N 3.44Å; L74-R81 HydrophobicContact CD1-CG 4.02Å
75L94.3Very high94.8Very high119 Ų11952 Ų5262%0.62325%0.245SC*.THydrogen-bonded Turntrans-69.9-19.4179-63.2-180000112.6R70 G73R70-L75 VanDerWaalsContact NH2-CD1 3.34Å; G73-L75 PolarHBondContact O-N 2.89Å; G73-L75 VanDerWaalsContact O-N 3.16Å
76Q92.9Very high95.1Very high107 Ų10751.6 Ų51.650%0.524%0.241SC..THydrogen-bonded Turntrans-109.2-31.4-178-62.979.714.300112.3G73 L74G73-Q76 PolarHBondContact O-N 2.88Å; G73-Q76 PolarHBondContact O-OE1 3.25Å; L74-Q76 PolarHBondContact O-N 3.44Å
77D93.6Very high95.3Very high67 Ų6751.6 Ų51.636%0.35824%0.241SC..  trans-141.3115.1-177.2-179.812.4000111.5G73 M79 A80G73-D77 PolarHBondContact O-N 2.85Å; D77-M79 PolarHBondContact O-N 2.88Å; D77-M79 VanDerWaalsContact OD1-CB 3.28Å; D77-M79 WeakPolarHBondContact OD1-CB 3.17Å; D77-M79 PolarHBondContact OD1-N 3.41Å; D77-A80 WeakPolarHBondContact O-CB 2.96Å; D77-A80 PolarHBondContact O-N 2.8Å
78E92Very high95.4Very high172 Ų17251.6 Ų51.680%0.80424%0.241SC*.G310 helixtrans-60.8-25.8175.2-67.2-167162.200112.8A80E78-A80 PolarHBondContact O-N 2.85Å
79M93.6Very high95.5Very high87 Ų8751.7 Ų51.743%0.42924%0.242SC..G310 helixtrans-75.9-6.8177.4-66-71.3-74.500113.1D77 R81 K82D77-M79 PolarHBondContact O-N 2.88Å; D77-M79 VanDerWaalsContact OD1-CB 3.28Å; D77-M79 WeakPolarHBondContact OD1-CB 3.17Å; D77-M79 PolarHBondContact OD1-N 3.41Å; M79-R81 PolarHBondContact O-N 2.85Å; M79-R81 VanDerWaalsContact O-N 3.11Å; M79-K82 HydrophobicContact CE-CD 3.64Å; M79-K82 PolarHBondContact O-N 3.49Å; M79-K82 HydrophobicContact SD-CD 3.93Å
80A96Very high95.6Very high7 Ų746.4 Ų46.46%0.05822%0.217CC..G310 helixtrans-54.4-32.3175.900000112.6V71 D77 E78 K82 K83 S84V71-A80 HydrophobicContact CG2-CB 4.06Å; D77-A80 WeakPolarHBondContact O-CB 2.96Å; D77-A80 PolarHBondContact O-N 2.8Å; E78-A80 PolarHBondContact O-N 2.85Å; A80-K82 PolarHBondContact O-N 2.87Å; A80-K83 CarbonylContact O-C 3.56Å; A80-K83 PolarHBondContact O-N 2.77Å; A80-S84 WeakPolarHBondContact O-CB 3.29Å; A80-S84 PolarHBondContact O-N 3.31Å; A80-S84 PolarHBondContact O-OG 3.18Å
81R95.9Very high95.5Very high127 Ų12746.6 Ų46.648%0.47922%0.218SC..G310 helixtrans-61.4-27.2175-74.9-180177.1170.23.1113.9V71 L74 M79 K83 T131 G133V71-R81 HydrophobicContact CG2-CG 3.82Å; L74-R81 HydrophobicContact CD1-CG 4.02Å; M79-R81 PolarHBondContact O-N 2.85Å; M79-R81 VanDerWaalsContact O-N 3.11Å; R81-K83 VanDerWaalsContact C-N 3.32Å; R81-T131 PolarHBondContact NE-O 2.86Å; R81-G133 WeakPolarHBondContact O-CA 3.39Å; R81-G133 PolarHBondContact O-N 2.84Å
82K95.5Very high95.4Very high152 Ų15246.9 Ų46.966%0.66122%0.22SC*.G310 helixtrans-86.3-7.6177.2-61.1-173.7-174169.70112.7M79 A80M79-K82 HydrophobicContact CE-CD 3.64Å; M79-K82 PolarHBondContact O-N 3.49Å; M79-K82 HydrophobicContact SD-CD 3.93Å; A80-K82 PolarHBondContact O-N 2.87Å
83K95.8Very high95.2Very high39 Ų3953.4 Ų53.417%0.1724%0.244CC..SBendtrans-127.210.5-171.1-60.2-179.1171.9-175.70113.5K42 D43 L45 I46 A80 R81K42-K83 PolarHBondContact O-NZ 3.23Å; D43-K83 IonicContact OD1-NZ 2.75Å; D43-K83 PolarHBondContact OD1-NZ 2.83Å; L45-K83 WeakPolarHBondContact CA-O 3.42Å; I46-K83 PolarHBondContact N-O 3.1Å; A80-K83 CarbonylContact O-C 3.56Å; A80-K83 PolarHBondContact O-N 2.77Å; R81-K83 VanDerWaalsContact C-N 3.32Å
84S97.3Very high95Very high3 Ų355.3 Ų55.32%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-123.1139.2-178.3-55.30000110.3I46 A80 G133 G134I46-S84 CarbonylContact O-C 3.25Å; I46-S84 WeakPolarHBondContact O-CA 3.42Å; A80-S84 WeakPolarHBondContact O-CB 3.29Å; A80-S84 PolarHBondContact O-N 3.31Å; A80-S84 PolarHBondContact O-OG 3.18Å; S84-G133 CarbonylContact O-C 3.58Å; S84-G133 WeakPolarHBondContact O-CA 3.45Å; S84-G134 PolarHBondContact O-N 2.99Å
85V97.8Very high94.8Very high12 Ų1254.6 Ų54.67%0.07325%0.25CS..EExtended strand (participates in β ladder)trans-130.6123.5-176.6-176.80000108.5L45 I46 F47 Y48 S87 G134 F136L45-V85 HydrophobicContact CB-CG2 4.26Å; L45-V85 HydrophobicContact CD1-CG2 4.22Å; I46-V85 PolarHBondContact O-N 2.96Å; F47-V85 WeakPolarHBondContact CA-O 3.15Å; F47-V85 HydrophobicContact CD1-CB 4.01Å; F47-V85 HydrophobicContact CD1-CG1 3.81Å; F47-V85 HydrophobicContact CD2-CB 4.4Å; F47-V85 HydrophobicContact CE1-CB 4.19Å; F47-V85 HydrophobicContact CE1-CG1 3.77Å; F47-V85 HydrophobicContact CE2-CG2 4.39Å; F47-V85 HydrophobicContact CG-CB 4.12Å; F47-V85 HydrophobicContact CG-CG1 4.42Å; F47-V85 HydrophobicContact CZ-CB 4.45Å; F47-V85 HydrophobicContact CZ-CG1 4.34Å; F47-V85 HydrophobicContact CZ-CG2 4.37Å; Y48-V85 WeakPolarHBondContact CD1-O 3.5Å; Y48-V85 PolarHBondContact N-O 3.06Å; V85-S87 PolarHBondContact O-N 3.32Å; V85-G134 WeakPolarHBondContact CA-O 3.43Å; V85-F136 HydrophobicContact CG1-CB 3.61Å
86L97.2Very high94.4Very high1 Ų155.5 Ų55.51%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-72.2109.9171.2177.864.3000109.1Y48 V124 I127 V128 G134 R135 F136Y48-L86 HydrophobicContact CD2-CD1 4.27Å; Y48-L86 HydrophobicContact CE1-CB 4.41Å; Y48-L86 HydrophobicContact CE2-CB 4.44Å; Y48-L86 HydrophobicContact CE2-CD1 3.73Å; L86-V124 HydrophobicContact CD2-CG1 4.28Å; L86-I127 HydrophobicContact CD2-CB 4.33Å; L86-I127 HydrophobicContact CD2-CG2 3.74Å; L86-V128 HydrophobicContact CB-CG2 3.97Å; L86-V128 HydrophobicContact CD2-CG2 3.88Å; L86-G134 PolarHBondContact N-O 3.05Å; L86-R135 CarbonylContact O-C 3.47Å; L86-R135 WeakPolarHBondContact O-CA 3.46Å; L86-F136 PolarHBondContact O-N 2.84Å
87S97.1Very high94.1Very high0 Ų055.2 Ų55.20%026%0.261CS..EExtended strand (participates in β ladder)trans-76.9139.2166.3-144.10000109Y48 E49 V85 T138Y48-S87 WeakPolarHBondContact O-CB 3.29Å; Y48-S87 PolarHBondContact O-N 3.16Å; E49-S87 WeakPolarHBondContact CG-O 3.36Å; V85-S87 PolarHBondContact O-N 3.32Å; S87-T138 WeakPolarHBondContact OG-CB 3.19Å; S87-T138 WeakPolarHBondContact OG-CG2 3.41Å; S87-T138 PolarHBondContact OG-OG1 3.45Å
88Y96.7Very high93.8Very high1 Ų153.4 Ų53.40%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-157.9159.4173.971.8-78.7000112.4I55 T120 V124 R135 F136 L137 T138 E169I55-Y88 HydrophobicContact CD1-CD2 3.7Å; I55-Y88 HydrophobicContact CD1-CG 4.39Å; Y88-T120 HydrophobicContact CE2-CG2 4.4Å; Y88-V124 HydrophobicContact CD1-CG1 3.88Å; Y88-V124 HydrophobicContact CD1-CG2 4.26Å; Y88-V124 HydrophobicContact CD2-CG2 3.78Å; Y88-V124 HydrophobicContact CE1-CB 4.46Å; Y88-V124 HydrophobicContact CE1-CG1 3.6Å; Y88-V124 HydrophobicContact CE1-CG2 4.31Å; Y88-V124 HydrophobicContact CE2-CG1 4.48Å; Y88-V124 HydrophobicContact CE2-CG2 3.8Å; Y88-V124 HydrophobicContact CG-CG1 4.43Å; Y88-V124 HydrophobicContact CG-CG2 3.98Å; Y88-R135 HydrophobicContact CE1-CB 4.45Å; Y88-F136 VanDerWaalsContact CD1-O 3.31Å; Y88-F136 WeakPolarHBondContact CD1-O 3.48Å; Y88-F136 PolarHBondContact N-O 2.67Å; Y88-L137 HydrophobicContact CD2-CD1 3.91Å; Y88-L137 HydrophobicContact CE1-CB 4.17Å; Y88-L137 HydrophobicContact CE2-CB 4.39Å; Y88-L137 HydrophobicContact CE2-CD1 3.54Å; Y88-T138 PolarHBondContact O-N 3.13Å; Y88-T138 PolarHBondContact O-OG1 3.08Å; Y88-E169 WeakPolarHBondContact CE1-OE1 3.43Å; Y88-E169 WeakPolarHBondContact OH-CG 2.99Å; Y88-E169 PolarHBondContact OH-OE2 2.85Å; Y88-E169 VanDerWaalsContact OH-OE2 3.07Å
89H95.7Very high93.7Very high4 Ų448.5 Ų48.52%0.01924%0.235CC..EExtended strand (participates in β ladder)trans-117.1141.2-174.9-54.9167.7000111.8E4 E49 I55 Y56 Y91 T138 E139E4-H89 IonicContact OE1-CE1 2.65Å; E4-H89 PolarHBondContact OE1-CE1 3.44Å; E4-H89 VanDerWaalsContact OE1-CE1 3.31Å; E4-H89 IonicContact OE1-ND1 2.67Å; E4-H89 PolarHBondContact OE1-ND1 3.07Å; E4-H89 VanDerWaalsContact OE1-ND1 3.08Å; E49-H89 IonicContact OE1-CE1 3.23Å; E49-H89 PolarHBondContact OE1-CE1 3.38Å; E49-H89 IonicContact OE1-ND1 3.47Å; E49-H89 IonicContact OE1-NE2 3.97Å; E49-H89 IonicContact OE2-CE1 3.84Å; E49-H89 IonicContact OE2-NE2 2.94Å; I55-H89 WeakPolarHBondContact CD1-O 3.07Å; Y56-H89 PolarHBondContact OH-O 2.89Å; H89-Y91 HydrophobicContact CB-CD2 4.24Å; H89-Y91 HydrophobicContact CB-CE2 3.87Å; H89-T138 PolarHBondContact CD2-OG1 2.88Å; H89-T138 PolarHBondContact NE2-OG1 2.96Å; H89-E139 CarbonylContact C-O 3.25Å; H89-E139 VanDerWaalsContact CA-O 3.23Å; H89-E139 WeakPolarHBondContact CA-O 3.33Å; H89-E139 HydrophobicContact CB-CB 4.01Å; H89-E139 VanDerWaalsContact CD2-CB 3.43Å; H89-E139 WeakPolarHBondContact CD2-CB 3.47Å; H89-E139 IonicContact CE1-OE1 3.85Å; H89-E139 PolarHBondContact CE1-OE1 3.43Å; H89-E139 IonicContact CE1-OE2 3.24Å; H89-E139 IonicContact CG-OE2 2.63Å; H89-E139 IonicContact ND1-OE1 3.03Å; H89-E139 IonicContact ND1-OE2 3.74Å; H89-E139 PolarHBondContact ND1-OE2 2.87Å; H89-E139 WeakPolarHBondContact NE2-CG 3.48Å; H89-E139 IonicContact NE2-OE1 2.76Å
90Y95.9Very high93.5Very high0 Ų045.8 Ų45.80%023%0.227CC..EExtended strand (participates in β ladder)trans-119.6123.4175174.5-94.3000112.6Y56 C112 L116 L117 T120 E139 F140 G141 E156 V160Y56-Y90 HydrophobicContact CE1-CD2 4.43Å; Y56-Y90 WeakPolarHBondContact OH-CA 3.48Å; Y90-C112 PolarHBondContact OH-O 2.89Å; Y90-L116 HydrophobicContact CE2-CD2 4.31Å; Y90-L116 HydrophobicContact CE2-CG 4.05Å; Y90-L117 HydrophobicContact CD1-CD1 3.93Å; Y90-L117 HydrophobicContact CD2-CD1 4.07Å; Y90-L117 HydrophobicContact CE1-CD1 3.67Å; Y90-L117 HydrophobicContact CE2-CB 4.06Å; Y90-L117 HydrophobicContact CE2-CD1 3.78Å; Y90-L117 HydrophobicContact CG-CD1 4.13Å; Y90-T120 HydrophobicContact CD2-CG2 4.1Å; Y90-E139 PolarHBondContact N-O 2.87Å; Y90-F140 WeakPolarHBondContact O-CA 3.49Å; Y90-F140 WeakPolarHBondContact O-CB 3.39Å; Y90-G141 PolarHBondContact O-N 2.67Å; Y90-E156 WeakPolarHBondContact CE1-OE1 3.48Å; Y90-V160 HydrophobicContact CD1-CG1 4.41Å; Y90-V160 HydrophobicContact CD1-CG2 3.63Å; Y90-V160 HydrophobicContact CE1-CG2 3.56Å
91Y93.7Very high93.3Very high46 Ų4649.8 Ų49.818%0.1825%0.251CS..  trans-138.6126.4175.5-67.6-83.1000110.3Y56 H89 W93 E139 G141 L142 W174Y56-Y91 PolarHBondContact OH-N 3.11Å; Y56-Y91 VanDerWaalsContact OH-N 3.11Å; H89-Y91 HydrophobicContact CB-CD2 4.24Å; H89-Y91 HydrophobicContact CB-CE2 3.87Å; Y91-W93 PolarHBondContact O-N 2.67Å; Y91-E139 HydrophobicContact CE2-CB 4.42Å; Y91-E139 PolarHBondContact OH-OE2 3.09Å; Y91-G141 WeakPolarHBondContact CD1-O 3.36Å; Y91-G141 WeakPolarHBondContact CE1-O 3.44Å; Y91-L142 HydrophobicContact CE1-CG 4.48Å; Y91-W174 AromaticContact CZ-NE1 3.96Å; Y91-W174 PolarHBondContact OH-NE1 2.96Å
92C94.5Very high93.2Very high5 Ų548.5 Ų48.53%0.03425%0.25CS..  trans-81.6100167.1-164.90000110.7L94 L95 C112 L116C92-L94 PolarHBondContact O-N 2.94Å; C92-L95 HydrophobicContact CB-CD1 3.91Å; C92-L95 HydrophobicContact CB-CG 4.01Å; C92-L95 WeakPolarHBondContact O-CB 3.34Å; C92-L95 PolarHBondContact O-N 3.36Å; C92-C112 HydrophobicContact CB-CB 3.74Å; C92-C112 WeakPolarHBondContact CB-SG 3.07Å; C92-C112 VanDerWaalsContact SG-CA 3.6Å; C92-C112 WeakPolarHBondContact SG-CB 3.2Å; C92-C112 CovalentContact SG-SG 2.03Å; C92-C112 PolarHBondContact SG-SG 3.47Å; C92-L116 HydrophobicContact CB-CD2 4.38Å
93W91Very high93.3Very high137 Ų13746.3 Ų46.352%0.51924%0.242SC..THydrogen-bonded Turntrans-59.6-21.1-178.560.174000114.1Y56 Y91 L95 Q96 L116Y56-W93 HydrophobicContact CD1-CZ3 4.5Å; Y91-W93 PolarHBondContact O-N 2.67Å; W93-L95 PolarHBondContact O-N 3.27Å; W93-Q96 PolarHBondContact O-N 2.74Å; W93-L116 HydrophobicContact CE3-CD2 4.19Å; W93-L116 HydrophobicContact CH2-CD1 3.77Å; W93-L116 HydrophobicContact CH2-CD2 4.2Å; W93-L116 HydrophobicContact CZ3-CD1 3.94Å; W93-L116 HydrophobicContact CZ3-CD2 3.99Å
94L92.1Very high93.2Very high43 Ų4344.7 Ų44.723%0.22524%0.235CC..THydrogen-bonded Turntrans-65-21.3175.7-61.4176.7000112.8C92 W107 K108 L111C92-L94 PolarHBondContact O-N 2.94Å; L94-W107 HydrophobicContact CD1-CZ3 4.43Å; L94-K108 PolarHBondContact O-NZ 3.1Å; L94-L111 HydrophobicContact CD1-CB 3.63Å; L94-L111 HydrophobicContact CD1-CD1 3.64Å; L94-L111 HydrophobicContact CD1-CG 4.3Å
95L92.3Very high93.1Very high18 Ų1846.3 Ų46.39%0.09425%0.245CC..THydrogen-bonded Turntrans-90.4-21.3-178.2-55-179.6000112.7C92 W93 S97 T98 M104 K108 I152 E156C92-L95 HydrophobicContact CB-CD1 3.91Å; C92-L95 HydrophobicContact CB-CG 4.01Å; C92-L95 WeakPolarHBondContact O-CB 3.34Å; C92-L95 PolarHBondContact O-N 3.36Å; W93-L95 PolarHBondContact O-N 3.27Å; L95-S97 PolarHBondContact O-N 2.83Å; L95-T98 PolarHBondContact O-N 2.92Å; L95-M104 HydrophobicContact CD1-CE 3.84Å; L95-M104 HydrophobicContact CD2-CE 3.68Å; L95-M104 HydrophobicContact CD2-SD 3.6Å; L95-M104 VanDerWaalsContact CD2-SD 3.6Å; L95-M104 HydrophobicContact CG-CE 4.43Å; L95-K108 HydrophobicContact CD2-CB 4.27Å; L95-K108 HydrophobicContact CD2-CD 4.07Å; L95-I152 HydrophobicContact CB-CG2 4.29Å; L95-I152 HydrophobicContact CD1-CG2 4.09Å; L95-I152 HydrophobicContact CD2-CG2 4.14Å; L95-I152 HydrophobicContact CG-CG2 4.39Å; L95-E156 HydrophobicContact CD1-CB 4Å; L95-E156 VanDerWaalsContact CD1-CD 3.44Å; L95-E156 HydrophobicContact CD1-CG 3.81Å; L95-E156 VanDerWaalsContact CD1-OE2 3.29Å; L95-E156 WeakPolarHBondContact CD1-OE2 3.15Å
96Q86.4Confident93Very high138 Ų13850 Ų5065%0.64527%0.272SS*.THydrogen-bonded Turntrans-61.7-21.3-177-68.4179-11.400114.3W93W93-Q96 PolarHBondContact O-N 2.74Å
97S85.1Confident93Very high101 Ų10157.1 Ų57.171%0.70630%0.299SS*.THydrogen-bonded Turntrans-94.50.7-179.355.70000114.1L95L95-S97 PolarHBondContact O-N 2.83Å
98T87.4Confident92.9Very high28 Ų2857.9 Ų57.917%0.17230%0.302CS..SBendtrans-124.4134-176.4-57.30000109.7L95 A100 E102 K108 I152L95-T98 PolarHBondContact O-N 2.92Å; T98-A100 PolarHBondContact O-N 3Å; T98-E102 HydrophobicContact CG2-CB 4.17Å; T98-E102 WeakPolarHBondContact CG2-OE2 3.47Å; T98-K108 PolarHBondContact OG1-NZ 3.07Å; T98-I152 HydrophobicContact CG2-CD1 3.4Å
99P90.4Very high92.9Very high69 Ų6961.3 Ų61.345%0.44832%0.318SS..  trans-54.1130.8173.7-24.533.9000111.2T101 E102P99-T101 PolarHBondContact O-N 2.94Å; P99-T101 VanDerWaalsContact O-N 3.12Å; P99-E102 HydrophobicContact CB-CG 4.16Å; P99-E102 WeakPolarHBondContact CD-OE1 3.33Å; P99-E102 HydrophobicContact CG-CG 4.45Å; P99-E102 WeakPolarHBondContact CG-OE1 3.19Å; P99-E102 WeakPolarHBondContact O-CB 3.49Å; P99-E102 PolarHBondContact O-N 3.17Å
100A89.8Confident92.9Very high30 Ų3067.6 Ų67.625%0.24834%0.343CS..THydrogen-bonded Turntrans-68.2-15.5-171.400000114.1T98 E102 I152 N153T98-A100 PolarHBondContact O-N 3Å; A100-E102 VanDerWaalsContact C-N 3.35Å; A100-I152 WeakPolarHBondContact O-CB 3.1Å; A100-I152 PolarHBondContact O-N 2.04Å; A100-N153 VanDerWaalsContact CB-OD1 3.22Å; A100-N153 WeakPolarHBondContact CB-OD1 3.18Å; A100-N153 WeakPolarHBondContact O-CB 3.43Å; A100-N153 PolarHBondContact O-N 3.32Å; A100-N153 PolarHBondContact O-ND2 2.97Å
101T91.6Very high93Very high92 Ų9270.6 Ų70.656%0.56436%0.359SS*.THydrogen-bonded Turntrans-81.6-10.9175.353.90000113.6P99P99-T101 PolarHBondContact O-N 2.94Å; P99-T101 VanDerWaalsContact O-N 3.12Å
102E94.5Very high93.1Very high100 Ų10068.4 Ų68.447%0.46735%0.35SS..SBendtrans-74.9158177.9-72.1-177.1-16200112.2T98 P99 A100 M104 S151 I152T98-E102 HydrophobicContact CG2-CB 4.17Å; T98-E102 WeakPolarHBondContact CG2-OE2 3.47Å; P99-E102 HydrophobicContact CB-CG 4.16Å; P99-E102 WeakPolarHBondContact CD-OE1 3.33Å; P99-E102 HydrophobicContact CG-CG 4.45Å; P99-E102 WeakPolarHBondContact CG-OE1 3.19Å; P99-E102 WeakPolarHBondContact O-CB 3.49Å; P99-E102 PolarHBondContact O-N 3.17Å; A100-E102 VanDerWaalsContact C-N 3.35Å; E102-M104 PolarHBondContact O-N 3.4Å; E102-S151 CarbonylContact O-C 3.6Å; E102-S151 VanDerWaalsContact O-CA 3.32Å; E102-S151 WeakPolarHBondContact O-CA 3.43Å; E102-I152 HydrophobicContact CB-CD1 4.49Å; E102-I152 WeakPolarHBondContact O-CG1 3.39Å; E102-I152 PolarHBondContact O-N 3.05Å
103H96.1Very high93.2Very high106 Ų10668.9 Ų68.949%0.49135%0.352SS..BIsolated β-bridgetrans-61.7129.2175.2172.5-72.4000111.2P105 E150H103-P105 WeakPolarHBondContact O-CD 3.31Å; H103-E150 CarbonylContact C-O 3.42Å; H103-E150 WeakPolarHBondContact CA-O 3.42Å; H103-E150 IonicContact CD2-OE2 3.87Å; H103-E150 PolarHBondContact CD2-OE2 3.15Å; H103-E150 IonicContact NE2-OE2 2.73Å
104M95.3Very high93.4Very high4 Ų467.3 Ų67.32%0.0235%0.351CS..  trans-64.6113.7177.8179.16784.200111.5L95 E102 S106 K108 Q109 E150 I152 V155 E156L95-M104 HydrophobicContact CD1-CE 3.84Å; L95-M104 HydrophobicContact CD2-CE 3.68Å; L95-M104 HydrophobicContact CD2-SD 3.6Å; L95-M104 VanDerWaalsContact CD2-SD 3.6Å; L95-M104 HydrophobicContact CG-CE 4.43Å; E102-M104 PolarHBondContact O-N 3.4Å; M104-S106 PolarHBondContact O-N 2.82Å; M104-K108 HydrophobicContact SD-CB 4.03Å; M104-Q109 HydrophobicContact CG-CB 3.71Å; M104-Q109 HydrophobicContact CG-CG 4.24Å; M104-Q109 HydrophobicContact SD-CB 4.41Å; M104-E150 PolarHBondContact N-O 2.82Å; M104-I152 HydrophobicContact CB-CG1 4.06Å; M104-I152 HydrophobicContact CE-CB 4.21Å; M104-I152 HydrophobicContact CE-CG1 4.03Å; M104-I152 HydrophobicContact CE-CG2 4.02Å; M104-I152 HydrophobicContact SD-CG1 3.91Å; M104-V155 HydrophobicContact CB-CB 4.13Å; M104-V155 HydrophobicContact CB-CG1 4.21Å; M104-V155 HydrophobicContact CB-CG2 4.1Å; M104-V155 HydrophobicContact CE-CB 4.21Å; M104-V155 HydrophobicContact CE-CG1 4.04Å; M104-V155 HydrophobicContact CG-CB 4.36Å; M104-V155 HydrophobicContact CG-CG1 3.94Å; M104-E156 HydrophobicContact CE-CB 4.37Å
105P95.1Very high93.6Very high37 Ų3769.3 Ų69.324%0.2436%0.361CS..  trans-64.6132.7176.1-19.733.4000110.8H103 W107 K108 Q109H103-P105 WeakPolarHBondContact O-CD 3.31Å; P105-W107 PolarHBondContact O-N 2.93Å; P105-K108 HydrophobicContact CB-CB 4.43Å; P105-K108 HydrophobicContact CB-CG 4.25Å; P105-K108 HydrophobicContact CG-CD 4.13Å; P105-K108 HydrophobicContact CG-CG 4.26Å; P105-K108 WeakPolarHBondContact O-CA 3.45Å; P105-K108 WeakPolarHBondContact O-CB 3.25Å; P105-K108 PolarHBondContact O-N 2.87Å; P105-Q109 PolarHBondContact O-N 3.29Å
106S95.8Very high93.7Very high90 Ų9069.6 Ų69.663%0.62936%0.362SS*.Hα-helixtrans-56-32.4-174.6-460000113.8M104 Y110M104-S106 PolarHBondContact O-N 2.82Å; S106-Y110 WeakPolarHBondContact O-CB 3.3Å; S106-Y110 PolarHBondContact O-N 3.15Å
107W96Very high94.2Very high150 Ų15063 Ų6357%0.56833%0.332SS*.Hα-helixtrans-71.4-36.5176.473.2-94.1000112.5L94 P105 L111L94-W107 HydrophobicContact CD1-CZ3 4.43Å; P105-W107 PolarHBondContact O-N 2.93Å; W107-L111 HydrophobicContact CE3-CD1 3.71Å; W107-L111 HydrophobicContact CZ3-CD1 3.82Å; W107-L111 WeakPolarHBondContact O-CG 3.25Å; W107-L111 PolarHBondContact O-N 3.41Å; W107-L111 VanDerWaalsContact O-N 3.16Å
108K95.6Very high94.8Very high16 Ų1661 Ų617%0.0731%0.313CS..Hα-helixtrans-67.2-46.5173.9-70.2-164.2-179.2-166.70109.8L94 L95 T98 M104 P105 Y110 L111 C112L94-K108 PolarHBondContact O-NZ 3.1Å; L95-K108 HydrophobicContact CD2-CB 4.27Å; L95-K108 HydrophobicContact CD2-CD 4.07Å; T98-K108 PolarHBondContact OG1-NZ 3.07Å; M104-K108 HydrophobicContact SD-CB 4.03Å; P105-K108 HydrophobicContact CB-CB 4.43Å; P105-K108 HydrophobicContact CB-CG 4.25Å; P105-K108 HydrophobicContact CG-CD 4.13Å; P105-K108 HydrophobicContact CG-CG 4.26Å; P105-K108 WeakPolarHBondContact O-CA 3.45Å; P105-K108 WeakPolarHBondContact O-CB 3.25Å; P105-K108 PolarHBondContact O-N 2.87Å; K108-Y110 VanDerWaalsContact C-N 3.32Å; K108-Y110 PolarHBondContact O-N 3.26Å; K108-L111 PolarHBondContact O-N 2.78Å; K108-L111 VanDerWaalsContact O-N 3.16Å; K108-C112 WeakPolarHBondContact O-CB 3.13Å; K108-C112 PolarHBondContact O-N 3.36Å; K108-C112 PolarHBondContact O-SG 3.18Å
109Q95.9Very high95.2Very high73 Ų7363.7 Ų63.734%0.34132%0.32SS..Hα-helixtrans-53.7-48.5175.5-169.3-179.45.200111.6M104 P105 L111 C112 D113 V155M104-Q109 HydrophobicContact CG-CB 3.71Å; M104-Q109 HydrophobicContact CG-CG 4.24Å; M104-Q109 HydrophobicContact SD-CB 4.41Å; P105-Q109 PolarHBondContact O-N 3.29Å; Q109-L111 PolarHBondContact O-N 2.89Å; Q109-C112 PolarHBondContact O-N 3.18Å; Q109-D113 WeakPolarHBondContact CG-OD2 3.46Å; Q109-D113 WeakPolarHBondContact O-CB 3.19Å; Q109-D113 VanDerWaalsContact O-CG 3.27Å; Q109-D113 PolarHBondContact O-N 3.08Å; Q109-V155 HydrophobicContact CG-CG1 4.11Å
110Y97.1Very high95.4Very high137 Ų13760.4 Ų60.454%0.53730%0.299SS..Iπ-helixtrans-60.4-45.5178.4-179.9-94.8000112.4S106 K108 Q114 L115S106-Y110 WeakPolarHBondContact O-CB 3.3Å; S106-Y110 PolarHBondContact O-N 3.15Å; K108-Y110 VanDerWaalsContact C-N 3.32Å; K108-Y110 PolarHBondContact O-N 3.26Å; Y110-Q114 HydrophobicContact CD2-CB 3.94Å; Y110-Q114 HydrophobicContact CD2-CG 3.86Å; Y110-Q114 HydrophobicContact CE2-CB 3.98Å; Y110-Q114 HydrophobicContact CE2-CG 4.2Å; Y110-Q114 HydrophobicContact CG-CB 4.47Å; Y110-Q114 WeakPolarHBondContact O-CA 3.42Å; Y110-Q114 VanDerWaalsContact O-CB 3.27Å; Y110-Q114 WeakPolarHBondContact O-CB 3.42Å; Y110-Q114 PolarHBondContact O-N 3Å; Y110-L115 HydrophobicContact CD1-CD1 4.46Å; Y110-L115 HydrophobicContact CD1-CG 4.47Å; Y110-L115 HydrophobicContact CE1-CD1 3.99Å; Y110-L115 HydrophobicContact CE1-CD2 4.27Å; Y110-L115 HydrophobicContact CE1-CG 4.01Å; Y110-L115 PolarHBondContact O-N 2.94Å
111L97.1Very high95.8Very high63 Ų6359 Ų5933%0.3329%0.288SS..Iπ-helixtrans-67.2-41.8179.8-67.2178.8000112.5L94 W107 K108 Q109 L115 L116L94-L111 HydrophobicContact CD1-CB 3.63Å; L94-L111 HydrophobicContact CD1-CD1 3.64Å; L94-L111 HydrophobicContact CD1-CG 4.3Å; W107-L111 HydrophobicContact CE3-CD1 3.71Å; W107-L111 HydrophobicContact CZ3-CD1 3.82Å; W107-L111 WeakPolarHBondContact O-CG 3.25Å; W107-L111 PolarHBondContact O-N 3.41Å; W107-L111 VanDerWaalsContact O-N 3.16Å; K108-L111 PolarHBondContact O-N 2.78Å; K108-L111 VanDerWaalsContact O-N 3.16Å; Q109-L111 PolarHBondContact O-N 2.89Å; L111-L115 HydrophobicContact CD2-CD1 3.59Å; L111-L115 WeakPolarHBondContact O-CB 3.16Å; L111-L116 WeakPolarHBondContact O-CB 3.49Å; L111-L116 PolarHBondContact O-N 2.92Å
112C96.3Very high96Very high0 Ų061.8 Ų61.80%029%0.292CS..Iπ-helixtrans-69.7-58.7177.7-60.90000110.8Y90 C92 K108 Q109 L116 L117Y90-C112 PolarHBondContact OH-O 2.89Å; C92-C112 HydrophobicContact CB-CB 3.74Å; C92-C112 WeakPolarHBondContact CB-SG 3.07Å; C92-C112 VanDerWaalsContact SG-CA 3.6Å; C92-C112 WeakPolarHBondContact SG-CB 3.2Å; C92-C112 CovalentContact SG-SG 2.03Å; C92-C112 PolarHBondContact SG-SG 3.47Å; K108-C112 WeakPolarHBondContact O-CB 3.13Å; K108-C112 PolarHBondContact O-N 3.36Å; K108-C112 PolarHBondContact O-SG 3.18Å; Q109-C112 PolarHBondContact O-N 3.18Å; C112-L116 PolarHBondContact O-N 3.21Å; C112-L117 WeakPolarHBondContact O-CB 3.37Å; C112-L117 PolarHBondContact O-N 3.42Å
113D96Very high96Very high15 Ų1557.6 Ų57.68%0.0827%0.273CS..Iπ-helixtrans-76.9-45.5-168.5-58.41.8000112.7Q109 N118 A159Q109-D113 WeakPolarHBondContact CG-OD2 3.46Å; Q109-D113 WeakPolarHBondContact O-CB 3.19Å; Q109-D113 VanDerWaalsContact O-CG 3.27Å; Q109-D113 PolarHBondContact O-N 3.08Å; D113-N118 PolarHBondContact O-ND2 3.26Å; D113-A159 HydrophobicContact CB-CB 4.42Å; D113-A159 WeakPolarHBondContact OD1-CB 3.5Å
114Q95.1Very high96.1Very high104 Ų10452.6 Ų52.649%0.48625%0.249SC..Iπ-helixtrans-90.6-30.7-169.8-56.6-58.2-4000112.5Y110 N118Y110-Q114 HydrophobicContact CD2-CB 3.94Å; Y110-Q114 HydrophobicContact CD2-CG 3.86Å; Y110-Q114 HydrophobicContact CE2-CB 3.98Å; Y110-Q114 HydrophobicContact CE2-CG 4.2Å; Y110-Q114 HydrophobicContact CG-CB 4.47Å; Y110-Q114 WeakPolarHBondContact O-CA 3.42Å; Y110-Q114 VanDerWaalsContact O-CB 3.27Å; Y110-Q114 WeakPolarHBondContact O-CB 3.42Å; Y110-Q114 PolarHBondContact O-N 3Å; Q114-N118 PolarHBondContact O-ND2 3.15Å
115L96.2Very high96.1Very high85 Ų8558.6 Ų58.645%0.44527%0.272SS..Iπ-helixtrans-102.1-68.9179.9-56.6-174.5000112.4Y110 L111 Y119Y110-L115 HydrophobicContact CD1-CD1 4.46Å; Y110-L115 HydrophobicContact CD1-CG 4.47Å; Y110-L115 HydrophobicContact CE1-CD1 3.99Å; Y110-L115 HydrophobicContact CE1-CD2 4.27Å; Y110-L115 HydrophobicContact CE1-CG 4.01Å; Y110-L115 PolarHBondContact O-N 2.94Å; L111-L115 HydrophobicContact CD2-CD1 3.59Å; L111-L115 WeakPolarHBondContact O-CB 3.16Å; L115-Y119 WeakPolarHBondContact O-CB 3.16Å; L115-Y119 PolarHBondContact O-N 2.88Å
116L95.8Very high96.1Very high23 Ų2358.7 Ų58.712%0.1227%0.273CS..Iπ-helixtrans-66.5-46.8-168.6-176.363.8000112.3Y56 Y90 C92 W93 L111 C112 Y119 T120Y56-L116 HydrophobicContact CD1-CD1 3.78Å; Y56-L116 HydrophobicContact CE1-CD1 3.97Å; Y56-L116 HydrophobicContact CE1-CG 4.39Å; Y90-L116 HydrophobicContact CE2-CD2 4.31Å; Y90-L116 HydrophobicContact CE2-CG 4.05Å; C92-L116 HydrophobicContact CB-CD2 4.38Å; W93-L116 HydrophobicContact CE3-CD2 4.19Å; W93-L116 HydrophobicContact CH2-CD1 3.77Å; W93-L116 HydrophobicContact CH2-CD2 4.2Å; W93-L116 HydrophobicContact CZ3-CD1 3.94Å; W93-L116 HydrophobicContact CZ3-CD2 3.99Å; L111-L116 WeakPolarHBondContact O-CB 3.49Å; L111-L116 PolarHBondContact O-N 2.92Å; C112-L116 PolarHBondContact O-N 3.21Å; L116-Y119 PolarHBondContact O-N 2.91Å; L116-T120 WeakPolarHBondContact O-CB 3.2Å; L116-T120 PolarHBondContact O-N 3.42Å; L116-T120 PolarHBondContact O-OG1 3.45Å
117L96.4Very high96.1Very high1 Ų154.4 Ų54.41%0.00524%0.244CC..Iπ-helixtrans-62.5-53.9179.4-176.263.7000111Y90 C112 Y119 T120 F121 A159 V160 A163Y90-L117 HydrophobicContact CD1-CD1 3.93Å; Y90-L117 HydrophobicContact CD2-CD1 4.07Å; Y90-L117 HydrophobicContact CE1-CD1 3.67Å; Y90-L117 HydrophobicContact CE2-CB 4.06Å; Y90-L117 HydrophobicContact CE2-CD1 3.78Å; Y90-L117 HydrophobicContact CG-CD1 4.13Å; C112-L117 WeakPolarHBondContact O-CB 3.37Å; C112-L117 PolarHBondContact O-N 3.42Å; L117-Y119 VanDerWaalsContact C-N 3.29Å; L117-Y119 PolarHBondContact O-N 3.1Å; L117-T120 PolarHBondContact O-N 2.67Å; L117-T120 VanDerWaalsContact O-N 3.14Å; L117-F121 HydrophobicContact CD1-CD2 3.72Å; L117-F121 HydrophobicContact CD1-CE2 3.4Å; L117-F121 HydrophobicContact CG-CD2 4.21Å; L117-F121 HydrophobicContact CG-CE2 4.25Å; L117-F121 WeakPolarHBondContact O-CD2 3.47Å; L117-F121 PolarHBondContact O-N 3.45Å; L117-A159 HydrophobicContact CD2-CB 4.33Å; L117-V160 HydrophobicContact CD1-CG2 4.18Å; L117-A163 HydrophobicContact CD1-CB 4.13Å; L117-A163 HydrophobicContact CD2-CB 3.55Å; L117-A163 HydrophobicContact CG-CB 3.77Å
118N96.3Very high96.1Very high58 Ų5848.1 Ų48.131%0.3122%0.222SC..Hα-helixtrans-59.5-39.9177.8-74.6-27.4000112.3D113 Q114 K122D113-N118 PolarHBondContact O-ND2 3.26Å; Q114-N118 PolarHBondContact O-ND2 3.15Å; N118-K122 VanDerWaalsContact O-CB 3.22Å; N118-K122 WeakPolarHBondContact O-CB 3.44Å; N118-K122 PolarHBondContact O-N 2.81Å; N118-K122 VanDerWaalsContact O-N 3.09Å
119Y96Very high96Very high84 Ų8453.7 Ų53.733%0.32925%0.248SC..Hα-helixtrans-61.1-49.3174.1174.5-93.6000111.2Y56 P58 L115 L116 L117 K122 N123Y56-Y119 WeakPolarHBondContact O-CE1 3.3Å; Y56-Y119 PolarHBondContact O-OH 3.13Å; P58-Y119 WeakPolarHBondContact CA-OH 3.09Å; L115-Y119 WeakPolarHBondContact O-CB 3.16Å; L115-Y119 PolarHBondContact O-N 2.88Å; L116-Y119 PolarHBondContact O-N 2.91Å; L117-Y119 VanDerWaalsContact C-N 3.29Å; L117-Y119 PolarHBondContact O-N 3.1Å; Y119-K122 PolarHBondContact O-N 3.3Å; Y119-N123 HydrophobicContact CE1-CB 4.26Å; Y119-N123 VanDerWaalsContact O-CB 3.28Å; Y119-N123 WeakPolarHBondContact O-CB 3.37Å; Y119-N123 PolarHBondContact O-N 3.36Å
120T95.9Very high96Very high0 Ų052.8 Ų52.80%025%0.25CC..Hα-helixtrans-59.9-51.6-176.9-56.20000111I55 Y56 Y88 Y90 L116 L117 K122 N123 V124I55-T120 HydrophobicContact CD1-CG2 3.59Å; I55-T120 HydrophobicContact CG1-CG2 4.31Å; Y56-T120 HydrophobicContact CE1-CG2 4.2Å; Y56-T120 WeakPolarHBondContact CE1-OG1 3.47Å; Y88-T120 HydrophobicContact CE2-CG2 4.4Å; Y90-T120 HydrophobicContact CD2-CG2 4.1Å; L116-T120 WeakPolarHBondContact O-CB 3.2Å; L116-T120 PolarHBondContact O-N 3.42Å; L116-T120 PolarHBondContact O-OG1 3.45Å; L117-T120 PolarHBondContact O-N 2.67Å; L117-T120 VanDerWaalsContact O-N 3.14Å; T120-K122 VanDerWaalsContact C-N 3.33Å; T120-K122 PolarHBondContact O-N 2.85Å; T120-N123 PolarHBondContact O-N 3.45Å; T120-N123 VanDerWaalsContact O-N 3.14Å; T120-V124 HydrophobicContact CG2-CG2 4.39Å; T120-V124 WeakPolarHBondContact O-CG2 3.39Å; T120-V124 PolarHBondContact O-N 2.86Å
121F96.9Very high95.8Very high1 Ų146.3 Ų46.30%0.00422%0.224CC..Hα-helixtrans-60.8-40.9178.5-87.6-96.7000112.8L117 R125 L137 A163 A164 N167 E169L117-F121 HydrophobicContact CD1-CD2 3.72Å; L117-F121 HydrophobicContact CD1-CE2 3.4Å; L117-F121 HydrophobicContact CG-CD2 4.21Å; L117-F121 HydrophobicContact CG-CE2 4.25Å; L117-F121 WeakPolarHBondContact O-CD2 3.47Å; L117-F121 PolarHBondContact O-N 3.45Å; F121-R125 WeakPolarHBondContact O-CB 3.29Å; F121-R125 PolarHBondContact O-N 3.04Å; F121-L137 HydrophobicContact CZ-CD2 4.23Å; F121-A163 HydrophobicContact CD2-CB 4.37Å; F121-A163 HydrophobicContact CE2-CB 4.08Å; F121-A163 HydrophobicContact CZ-CB 4.24Å; F121-A164 HydrophobicContact CE1-CB 4.36Å; F121-A164 HydrophobicContact CZ-CB 4.26Å; F121-N167 HydrophobicContact CD1-CB 3.52Å; F121-N167 WeakPolarHBondContact CD1-ND2 3.37Å; F121-N167 HydrophobicContact CE1-CB 4.03Å; F121-N167 HydrophobicContact CG-CB 4.49Å; F121-E169 HydrophobicContact CD1-CB 4.33Å; F121-E169 HydrophobicContact CE1-CB 3.59Å; F121-E169 HydrophobicContact CE1-CG 3.73Å; F121-E169 HydrophobicContact CZ-CG 4.45Å
122K96Very high95.7Very high151 Ų15144.2 Ų44.266%0.65722%0.218SC*.Hα-helixtrans-64.4-43.3175.3-176.7179.4178.4-178.90111.2N118 Y119 T120 R125 S126N118-K122 VanDerWaalsContact O-CB 3.22Å; N118-K122 WeakPolarHBondContact O-CB 3.44Å; N118-K122 PolarHBondContact O-N 2.81Å; N118-K122 VanDerWaalsContact O-N 3.09Å; Y119-K122 PolarHBondContact O-N 3.3Å; T120-K122 VanDerWaalsContact C-N 3.33Å; T120-K122 PolarHBondContact O-N 2.85Å; K122-R125 WeakPolarHBondContact O-CB 3.37Å; K122-R125 PolarHBondContact O-N 3.43Å; K122-S126 PolarHBondContact O-N 2.85Å; K122-S126 PolarHBondContact O-OG 3.29Å
123N95.8Very high95.7Very high12 Ų1245.4 Ų45.46%0.06423%0.23CC..Hα-helixtrans-68-46.4-177.6-161.439.5000111.2I55 F57 Y119 T120 R125 S126 I127I55-N123 PolarHBondContact O-ND2 2.93Å; F57-N123 PolarHBondContact O-ND2 2.91Å; Y119-N123 HydrophobicContact CE1-CB 4.26Å; Y119-N123 VanDerWaalsContact O-CB 3.28Å; Y119-N123 WeakPolarHBondContact O-CB 3.37Å; Y119-N123 PolarHBondContact O-N 3.36Å; T120-N123 PolarHBondContact O-N 3.45Å; T120-N123 VanDerWaalsContact O-N 3.14Å; N123-R125 VanDerWaalsContact C-N 3.29Å; N123-R125 PolarHBondContact O-N 3.19Å; N123-S126 CarbonylContact O-C 3.45Å; N123-S126 WeakPolarHBondContact O-CA 3.45Å; N123-S126 WeakPolarHBondContact O-CB 3.35Å; N123-S126 PolarHBondContact O-N 2.88Å; N123-I127 VanDerWaalsContact O-CG1 3.24Å; N123-I127 WeakPolarHBondContact O-CG1 3.4Å; N123-I127 PolarHBondContact O-N 2.03Å
124V96.7Very high95.7Very high0 Ų046.1 Ų46.10%024%0.241CC..Hα-helixtrans-56.9-43.5173.8170.90000111.3I55 L86 Y88 T120 S126 I127 V128 R135I55-V124 HydrophobicContact CB-CG2 4.22Å; I55-V124 HydrophobicContact CG2-CG2 4.24Å; L86-V124 HydrophobicContact CD2-CG1 4.28Å; Y88-V124 HydrophobicContact CD1-CG1 3.88Å; Y88-V124 HydrophobicContact CD1-CG2 4.26Å; Y88-V124 HydrophobicContact CD2-CG2 3.78Å; Y88-V124 HydrophobicContact CE1-CB 4.46Å; Y88-V124 HydrophobicContact CE1-CG1 3.6Å; Y88-V124 HydrophobicContact CE1-CG2 4.31Å; Y88-V124 HydrophobicContact CE2-CG1 4.48Å; Y88-V124 HydrophobicContact CE2-CG2 3.8Å; Y88-V124 HydrophobicContact CG-CG1 4.43Å; Y88-V124 HydrophobicContact CG-CG2 3.98Å; T120-V124 HydrophobicContact CG2-CG2 4.39Å; T120-V124 WeakPolarHBondContact O-CG2 3.39Å; T120-V124 PolarHBondContact O-N 2.86Å; V124-S126 VanDerWaalsContact C-N 3.34Å; V124-S126 PolarHBondContact O-N 3.25Å; V124-I127 WeakPolarHBondContact O-CB 3.46Å; V124-I127 PolarHBondContact O-N 3.09Å; V124-V128 PolarHBondContact O-N 3.37Å; V124-R135 HydrophobicContact CG1-CB 4.05Å
125R95.8Very high95.7Very high130 Ų13043.4 Ų43.449%0.49123%0.227SC..Hα-helixtrans-58.7-45.6174.1-176.2178.2178.9170.72.8111.7F121 K122 N123 V128 Q129F121-R125 WeakPolarHBondContact O-CB 3.29Å; F121-R125 PolarHBondContact O-N 3.04Å; K122-R125 WeakPolarHBondContact O-CB 3.37Å; K122-R125 PolarHBondContact O-N 3.43Å; N123-R125 VanDerWaalsContact C-N 3.29Å; N123-R125 PolarHBondContact O-N 3.19Å; R125-V128 PolarHBondContact O-N 3.26Å; R125-Q129 WeakPolarHBondContact O-CB 3.46Å; R125-Q129 VanDerWaalsContact O-CG 3.23Å; R125-Q129 WeakPolarHBondContact O-CG 3.23Å; R125-Q129 PolarHBondContact O-N 3.2Å
126S95.9Very high95.8Very high39 Ų3941.3 Ų41.327%0.27321%0.214SC..Hα-helixtrans-64.4-38.7176.8-67.10000112.6F59 K122 N123 V124 Q129 S130F59-S126 WeakPolarHBondContact CZ-O 3.34Å; K122-S126 PolarHBondContact O-N 2.85Å; K122-S126 PolarHBondContact O-OG 3.29Å; N123-S126 CarbonylContact O-C 3.45Å; N123-S126 WeakPolarHBondContact O-CA 3.45Å; N123-S126 WeakPolarHBondContact O-CB 3.35Å; N123-S126 PolarHBondContact O-N 2.88Å; V124-S126 VanDerWaalsContact C-N 3.34Å; V124-S126 PolarHBondContact O-N 3.25Å; S126-Q129 PolarHBondContact O-N 2.66Å; S126-S130 PolarHBondContact O-N 3.16Å; S126-S130 VanDerWaalsContact O-N 3.08Å
127I95.4Very high95.9Very high1 Ų140.2 Ų40.21%0.00521%0.208CC..Hα-helixtrans-57.2-54.7174.3-65.6158.3000109.6F59 P64 T66 L86 N123 V124 Q129 S130 T131F59-I127 HydrophobicContact CE2-CG1 3.97Å; F59-I127 HydrophobicContact CZ-CG1 4.25Å; P64-I127 HydrophobicContact CB-CG1 4.11Å; P64-I127 HydrophobicContact CB-CG2 4.29Å; T66-I127 HydrophobicContact CG2-CD1 3.69Å; T66-I127 HydrophobicContact CG2-CG1 4.42Å; T66-I127 HydrophobicContact CG2-CG2 4.33Å; L86-I127 HydrophobicContact CD2-CB 4.33Å; L86-I127 HydrophobicContact CD2-CG2 3.74Å; N123-I127 VanDerWaalsContact O-CG1 3.24Å; N123-I127 WeakPolarHBondContact O-CG1 3.4Å; N123-I127 PolarHBondContact O-N 2.03Å; V124-I127 WeakPolarHBondContact O-CB 3.46Å; V124-I127 PolarHBondContact O-N 3.09Å; I127-Q129 VanDerWaalsContact C-N 3.35Å; I127-Q129 PolarHBondContact O-N 2.99Å; I127-S130 WeakPolarHBondContact O-CA 3.37Å; I127-S130 WeakPolarHBondContact O-CB 3.45Å; I127-S130 PolarHBondContact O-N 3Å; I127-T131 HydrophobicContact CG2-CG2 4.41Å; I127-T131 PolarHBondContact O-N 3.09Å; I127-T131 PolarHBondContact O-OG1 2.73Å
128V95.6Very high95.8Very high18 Ų1840.4 Ų40.411%0.10921%0.209CC..Hα-helixtrans-66.9-33.6-178.8173.80000112.8L86 V124 R125 S130 T131 G132 G133 R135L86-V128 HydrophobicContact CB-CG2 3.97Å; L86-V128 HydrophobicContact CD2-CG2 3.88Å; V124-V128 PolarHBondContact O-N 3.37Å; R125-V128 PolarHBondContact O-N 3.26Å; V128-S130 PolarHBondContact O-N 3.34Å; V128-T131 PolarHBondContact O-N 3.14Å; V128-G132 VanDerWaalsContact O-CA 3.26Å; V128-G132 WeakPolarHBondContact O-CA 3.12Å; V128-G132 PolarHBondContact O-N 3Å; V128-G133 WeakPolarHBondContact CG1-O 3.1Å; V128-R135 HydrophobicContact CG2-CB 3.99Å
129Q94.7Very high95.7Very high133 Ų13338.7 Ų38.762%0.62120%0.2SC*.Hα-helixtrans-59.7-34.9170.9-78173.1-22.100112.3R125 S126 I127R125-Q129 WeakPolarHBondContact O-CB 3.46Å; R125-Q129 VanDerWaalsContact O-CG 3.23Å; R125-Q129 WeakPolarHBondContact O-CG 3.23Å; R125-Q129 PolarHBondContact O-N 3.2Å; S126-Q129 PolarHBondContact O-N 2.66Å; I127-Q129 VanDerWaalsContact C-N 3.35Å; I127-Q129 PolarHBondContact O-N 2.99Å
130S94.5Very high95.6Very high54 Ų5434.7 Ų34.738%0.37818%0.184SC..Hα-helixtrans-78.8-43.6177.5-173.80000112.8S126 I127 V128S126-S130 PolarHBondContact O-N 3.16Å; S126-S130 VanDerWaalsContact O-N 3.08Å; I127-S130 WeakPolarHBondContact O-CA 3.37Å; I127-S130 WeakPolarHBondContact O-CB 3.45Å; I127-S130 PolarHBondContact O-N 3Å; V128-S130 PolarHBondContact O-N 3.34Å
131T94.3Very high94.8Very high0 Ų035.3 Ų35.30%019%0.19CC..Hα-helixtrans-86.6-26.1-17358.40000113.5M68 R81 I127 V128M68-T131 VanDerWaalsContact O-CG2 3.3Å; M68-T131 WeakPolarHBondContact O-CG2 3.47Å; R81-T131 PolarHBondContact NE-O 2.86Å; I127-T131 HydrophobicContact CG2-CG2 4.41Å; I127-T131 PolarHBondContact O-N 3.09Å; I127-T131 PolarHBondContact O-OG1 2.73Å; V128-T131 PolarHBondContact O-N 3.14Å
132G94.4Very high94.1Very high19 Ų1939.8 Ų39.820%0.19621%0.214CC..  trans78177.4-158.300000111.6V71 V128V71-G132 WeakPolarHBondContact CG1-O 3.06Å; V128-G132 VanDerWaalsContact O-CA 3.26Å; V128-G132 WeakPolarHBondContact O-CA 3.12Å; V128-G132 PolarHBondContact O-N 3Å
133G95.2Very high93.7Very high25 Ų2532.8 Ų32.826%0.25818%0.184SC..SBendtrans104.2178.6-177.400000114.2R81 S84 V128R81-G133 WeakPolarHBondContact O-CA 3.39Å; R81-G133 PolarHBondContact O-N 2.84Å; S84-G133 CarbonylContact O-C 3.58Å; S84-G133 WeakPolarHBondContact O-CA 3.45Å; V128-G133 WeakPolarHBondContact CG1-O 3.1Å
134G95.9Very high93.4Very high31 Ų3134 Ų3432%0.3219%0.19SC..EExtended strand (participates in β ladder)trans-90.3178.4161.400000111.7S84 V85 L86S84-G134 PolarHBondContact O-N 2.99Å; V85-G134 WeakPolarHBondContact CA-O 3.43Å; L86-G134 PolarHBondContact N-O 3.05Å
135R96.3Very high93.1Very high47 Ų4734.2 Ų34.218%0.17719%0.192CC..EExtended strand (participates in β ladder)trans-134.7149.3171.148-177.1-172.6149.1-4109.4L86 Y88 V124 V128 N167 E169L86-R135 CarbonylContact O-C 3.47Å; L86-R135 WeakPolarHBondContact O-CA 3.46Å; Y88-R135 HydrophobicContact CE1-CB 4.45Å; V124-R135 HydrophobicContact CG1-CB 4.05Å; V128-R135 HydrophobicContact CG2-CB 3.99Å; R135-N167 PolarHBondContact NH2-O 2.97Å; R135-E169 WeakPolarHBondContact CB-OE1 3.15Å; R135-E169 WeakPolarHBondContact CD-OE2 3.39Å; R135-E169 VanDerWaalsContact CG-OE1 3.26Å; R135-E169 WeakPolarHBondContact CG-OE1 3.2Å; R135-E169 IonicContact CZ-OE2 3.74Å; R135-E169 IonicContact NE-OE2 3.86Å; R135-E169 PolarHBondContact NE-OE2 2.83Å; R135-E169 VanDerWaalsContact NE-OE2 3.08Å; R135-E169 IonicContact NH1-OE2 3.08Å; R135-E169 PolarHBondContact NH1-OE2 3.38Å; R135-E169 IonicContact NH2-OE2 3.31Å
136F97.6Very high92.8Very high40 Ų4030.9 Ų30.918%0.17518%0.183CC..EExtended strand (participates in β ladder)trans-153125.4-179.5-158.9-78.8000110.5F47 V85 L86 Y88 T138 E169 W171 T172F47-F136 HydrophobicContact CD1-CB 4.12Å; F47-F136 HydrophobicContact CD1-CG 4.32Å; F47-F136 HydrophobicContact CE1-CB 3.74Å; F47-F136 HydrophobicContact CE1-CD1 4.1Å; F47-F136 AromaticContact CE1-CD2 3.7Å; F47-F136 HydrophobicContact CE1-CD2 3.7Å; F47-F136 HydrophobicContact CE1-CE2 4.29Å; F47-F136 AromaticContact CE1-CG 3.59Å; F47-F136 HydrophobicContact CE1-CG 3.59Å; F47-F136 HydrophobicContact CZ-CD2 4.29Å; V85-F136 HydrophobicContact CG1-CB 3.61Å; L86-F136 PolarHBondContact O-N 2.84Å; Y88-F136 VanDerWaalsContact CD1-O 3.31Å; Y88-F136 WeakPolarHBondContact CD1-O 3.48Å; Y88-F136 PolarHBondContact N-O 2.67Å; F136-T138 HydrophobicContact CD1-CG2 3.63Å; F136-T138 HydrophobicContact CE1-CG2 4.21Å; F136-T138 PolarHBondContact O-N 3.41Å; F136-E169 WeakPolarHBondContact CA-OE1 3.5Å; F136-E169 PolarHBondContact N-OE1 3.17Å; F136-W171 VanDerWaalsContact CE1-C 3.44Å; F136-T172 HydrophobicContact CE1-CG2 3.6Å; F136-T172 HydrophobicContact CZ-CG2 3.79Å
137L97.4Very high92.4Very high0 Ų031.2 Ų31.20%019%0.193CC..EExtended strand (participates in β ladder)trans-80.895.3176177.567.7000109.3Y88 F121 E139 F140 V160 E169 S170 W171 T172Y88-L137 HydrophobicContact CD2-CD1 3.91Å; Y88-L137 HydrophobicContact CE1-CB 4.17Å; Y88-L137 HydrophobicContact CE2-CB 4.39Å; Y88-L137 HydrophobicContact CE2-CD1 3.54Å; F121-L137 HydrophobicContact CZ-CD2 4.23Å; L137-E139 WeakPolarHBondContact CD1-O 3.42Å; L137-F140 HydrophobicContact CD1-CB 4.39Å; L137-F140 HydrophobicContact CD2-CB 4.19Å; L137-F140 HydrophobicContact CD2-CD1 3.65Å; L137-F140 HydrophobicContact CD2-CE1 4.33Å; L137-F140 HydrophobicContact CD2-CG 4.08Å; L137-F140 HydrophobicContact CG-CB 4.44Å; L137-F140 HydrophobicContact CG-CD1 3.89Å; L137-V160 HydrophobicContact CD2-CG1 3.86Å; L137-E169 HydrophobicContact CB-CG 4.07Å; L137-S170 PolarHBondContact N-O 2.84Å; L137-W171 HydrophobicContact CB-CB 3.99Å; L137-W171 HydrophobicContact CD2-CB 4.21Å; L137-W171 HydrophobicContact CG-CB 4.35Å; L137-W171 CarbonylContact O-C 3.5Å; L137-W171 WeakPolarHBondContact O-CA 3.28Å; L137-T172 PolarHBondContact O-N 3.05Å
138T95.4Very high92.3Very high5 Ų534.2 Ų34.23%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-81.3-27.9-172.8400000114M1 S87 Y88 H89 F136 T172M1-T138 HydrophobicContact SD-CG2 3.72Å; S87-T138 WeakPolarHBondContact OG-CB 3.19Å; S87-T138 WeakPolarHBondContact OG-CG2 3.41Å; S87-T138 PolarHBondContact OG-OG1 3.45Å; Y88-T138 PolarHBondContact O-N 3.13Å; Y88-T138 PolarHBondContact O-OG1 3.08Å; H89-T138 PolarHBondContact CD2-OG1 2.88Å; H89-T138 PolarHBondContact NE2-OG1 2.96Å; F136-T138 HydrophobicContact CD1-CG2 3.63Å; F136-T138 HydrophobicContact CE1-CG2 4.21Å; F136-T138 PolarHBondContact O-N 3.41Å; T138-T172 CarbonylContact C-O 3.53Å; T138-T172 WeakPolarHBondContact CA-OG1 3.5Å; T138-T172 PolarHBondContact O-OG1 3.07Å
139E94.1Very high92.1Very high22 Ų2237.8 Ų37.810%0.10323%0.233CC..EExtended strand (participates in β ladder)trans-140.8143.8177.2-56.1-176.9-168.100110.9N3 H89 Y90 Y91 L137 W174N3-E139 PolarHBondContact ND2-OE1 3.38Å; N3-E139 VanDerWaalsContact ND2-OE1 3.11Å; H89-E139 CarbonylContact C-O 3.25Å; H89-E139 VanDerWaalsContact CA-O 3.23Å; H89-E139 WeakPolarHBondContact CA-O 3.33Å; H89-E139 HydrophobicContact CB-CB 4.01Å; H89-E139 VanDerWaalsContact CD2-CB 3.43Å; H89-E139 WeakPolarHBondContact CD2-CB 3.47Å; H89-E139 IonicContact CE1-OE1 3.85Å; H89-E139 PolarHBondContact CE1-OE1 3.43Å; H89-E139 IonicContact CE1-OE2 3.24Å; H89-E139 IonicContact CG-OE2 2.63Å; H89-E139 IonicContact ND1-OE1 3.03Å; H89-E139 IonicContact ND1-OE2 3.74Å; H89-E139 PolarHBondContact ND1-OE2 2.87Å; H89-E139 WeakPolarHBondContact NE2-CG 3.48Å; H89-E139 IonicContact NE2-OE1 2.76Å; Y90-E139 PolarHBondContact N-O 2.87Å; Y91-E139 HydrophobicContact CE2-CB 4.42Å; Y91-E139 PolarHBondContact OH-OE2 3.09Å; L137-E139 WeakPolarHBondContact CD1-O 3.42Å; E139-W174 HydrophobicContact CB-CG 4.28Å; E139-W174 HydrophobicContact CG-CB 3.99Å; E139-W174 HydrophobicContact CG-CG 4.02Å
140F93.8Very high92.2Very high0 Ų036.9 Ų36.90%023%0.229CC..EExtended strand (participates in β ladder)trans-155.8162167.358.2-83000110.6Y90 L137 V160 L161 W171 T172 Y173 F193Y90-F140 WeakPolarHBondContact O-CA 3.49Å; Y90-F140 WeakPolarHBondContact O-CB 3.39Å; L137-F140 HydrophobicContact CD1-CB 4.39Å; L137-F140 HydrophobicContact CD2-CB 4.19Å; L137-F140 HydrophobicContact CD2-CD1 3.65Å; L137-F140 HydrophobicContact CD2-CE1 4.33Å; L137-F140 HydrophobicContact CD2-CG 4.08Å; L137-F140 HydrophobicContact CG-CB 4.44Å; L137-F140 HydrophobicContact CG-CD1 3.89Å; F140-V160 HydrophobicContact CB-CG1 3.99Å; F140-V160 HydrophobicContact CD1-CG1 4.44Å; F140-V160 HydrophobicContact CD2-CB 4.13Å; F140-V160 HydrophobicContact CD2-CG1 3.62Å; F140-V160 HydrophobicContact CE2-CG1 4.22Å; F140-V160 HydrophobicContact CG-CG1 3.75Å; F140-L161 HydrophobicContact CE1-CD2 4.49Å; F140-L161 HydrophobicContact CE2-CD2 4.17Å; F140-L161 HydrophobicContact CE2-CG 4.37Å; F140-L161 HydrophobicContact CZ-CD2 3.72Å; F140-L161 HydrophobicContact CZ-CG 4.39Å; F140-W171 HydrophobicContact CE1-CB 4.15Å; F140-W171 HydrophobicContact CE1-CD2 4.19Å; F140-W171 AromaticContact CE1-CE3 3.72Å; F140-W171 HydrophobicContact CE1-CE3 3.72Å; F140-W171 HydrophobicContact CE1-CG 4.38Å; F140-W171 HydrophobicContact CZ-CD2 4.35Å; F140-W171 AromaticContact CZ-CE3 3.84Å; F140-W171 HydrophobicContact CZ-CE3 3.84Å; F140-W171 HydrophobicContact CZ-CZ3 4.27Å; F140-T172 WeakPolarHBondContact CE1-O 3.48Å; F140-Y173 HydrophobicContact CD2-CD2 4.36Å; F140-Y173 HydrophobicContact CE1-CD2 4.16Å; F140-Y173 AromaticContact CE2-CD2 3.81Å; F140-Y173 HydrophobicContact CE2-CD2 3.81Å; F140-Y173 HydrophobicContact CE2-CE2 4.25Å; F140-Y173 AromaticContact CZ-CD2 3.7Å; F140-Y173 HydrophobicContact CZ-CD2 3.7Å; F140-Y173 HydrophobicContact CZ-CG 4.42Å; F140-F193 HydrophobicContact CE2-CE1 4.23Å; F140-F193 HydrophobicContact CZ-CE1 4.18Å
141G79Confident92.2Very high13 Ų1334.3 Ų34.313%0.13421%0.211CC..  trans92.2-110.1163.700000115.3Y90 Y91Y90-G141 PolarHBondContact O-N 2.67Å; Y91-G141 WeakPolarHBondContact CD1-O 3.36Å; Y91-G141 WeakPolarHBondContact CE1-O 3.44Å
142L81.6Confident92.2Very high96 Ų9634.6 Ų34.650%0.50321%0.212SC..SBendtrans7430.7-130.9-58175000113.5Y91 W174Y91-L142 HydrophobicContact CE1-CG 4.48Å; L142-W174 HydrophobicContact CD2-CH2 3.97Å; L142-W174 HydrophobicContact CD2-CZ2 3.53Å; L142-W174 HydrophobicContact CG-CZ2 4.33Å
143C88.8Confident92.1Very high4 Ų434.5 Ų34.53%0.02721%0.207CC..  trans-112.8135.8174.864.60000110.2N153 E156 C157 Y173C143-N153 WeakPolarHBondContact CA-OD1 3.34Å; C143-N153 WeakPolarHBondContact CB-O 3.27Å; C143-E156 HydrophobicContact CB-CB 4.16Å; C143-E156 HydrophobicContact CB-CG 4.21Å; C143-C157 HydrophobicContact CB-CB 4.01Å; C143-C157 WeakPolarHBondContact CB-SG 3.23Å; C143-C157 PolarHBondContact O-SG 2.76Å; C143-C157 WeakPolarHBondContact SG-CA 3.34Å; C143-C157 WeakPolarHBondContact SG-CB 3.03Å; C143-C157 PolarHBondContact SG-N 3.14Å; C143-C157 VanDerWaalsContact SG-N 3.43Å; C143-C157 CovalentContact SG-SG 2.05Å; C143-C157 PolarHBondContact SG-SG 3.31Å; C143-Y173 PolarHBondContact O-OH 3.4Å
144L89.2Confident92.1Very high38 Ų3833.9 Ų33.920%0.19920%0.199CC..  trans-135.3106.8174.4-175.772.5000108.6D146 N153 E178 L179L144-D146 PolarHBondContact O-N 3.44Å; L144-N153 PolarHBondContact N-OD1 2.93Å; L144-N153 WeakPolarHBondContact O-CB 3.35Å; L144-N153 PolarHBondContact O-ND2 3.45Å; L144-N153 PolarHBondContact O-OD1 3.03Å; L144-E178 WeakPolarHBondContact CD2-OE2 3.38Å; L144-L179 HydrophobicContact CD1-CD1 4.11Å; L144-L179 HydrophobicContact CD1-CD2 3.56Å; L144-L179 HydrophobicContact CD1-CG 3.78Å
145P90.2Very high92Very high4 Ų433.4 Ų33.43%0.02619%0.189CC..  trans-55.1125.6-176.5-2230.7000111.3T154 C157 S189 S192 F193P145-T154 HydrophobicContact CB-CG2 4.48Å; P145-C157 HydrophobicContact CG-CB 4.01Å; P145-S189 WeakPolarHBondContact O-CA 3.32Å; P145-S189 WeakPolarHBondContact O-CB 3.36Å; P145-S189 PolarHBondContact O-OG 3.27Å; P145-S192 WeakPolarHBondContact CG-OG 3.16Å; P145-F193 HydrophobicContact CG-CE2 4.39Å
146D89Confident92Very high59 Ų5931.4 Ų31.432%0.31618%0.182SC..  trans-1099.5-170.356.611.4000112.8L144 N148 S151 N153 T154L144-D146 PolarHBondContact O-N 3.44Å; D146-N148 VanDerWaalsContact C-N 3.26Å; D146-N148 PolarHBondContact O-N 3.27Å; D146-N148 WeakPolarHBondContact OD1-CB 3.34Å; D146-N148 PolarHBondContact OD1-N 3.39Å; D146-N148 VanDerWaalsContact OD1-N 3.1Å; D146-S151 VanDerWaalsContact CG-OG 3.29Å; D146-S151 WeakPolarHBondContact OD1-CB 3.26Å; D146-S151 PolarHBondContact OD1-OG 2.87Å; D146-S151 WeakPolarHBondContact OD2-CB 3.22Å; D146-S151 PolarHBondContact OD2-OG 3.32Å; D146-N153 PolarHBondContact OD2-ND2 3.26Å; D146-T154 PolarHBondContact N-OG1 3.06Å; D146-T154 PolarHBondContact OD1-OG1 3.34Å
147G88Confident91.8Very high47 Ų4729.5 Ų29.549%0.48517%0.174SC..SBendtrans83.2-7.2-177.600000114.4P149G147-P149 WeakPolarHBondContact O-CD 3.29Å
148N93.2Very high91.7Very high63 Ų6330.6 Ų30.634%0.33718%0.18SC..  trans-88.5113.7168.6178.94.6000109.5D146 E150 S151 T154D146-N148 VanDerWaalsContact C-N 3.26Å; D146-N148 PolarHBondContact O-N 3.27Å; D146-N148 WeakPolarHBondContact OD1-CB 3.34Å; D146-N148 PolarHBondContact OD1-N 3.39Å; D146-N148 VanDerWaalsContact OD1-N 3.1Å; N148-E150 PolarHBondContact O-N 3.07Å; N148-E150 VanDerWaalsContact O-N 3.14Å; N148-E150 PolarHBondContact OD1-N 3.18Å; N148-S151 PolarHBondContact O-N 3.05Å; N148-S151 PolarHBondContact O-OG 2.84Å; N148-T154 WeakPolarHBondContact O-CB 3.46Å; N148-T154 PolarHBondContact O-OG1 3.05Å
149P92.7Very high91.7Very high94 Ų9431 Ų3161%0.6118%0.183SC*.THydrogen-bonded Turntrans-66.1-15.5-178.428-35.3000113.9G147 V155G147-P149 WeakPolarHBondContact O-CD 3.29Å; P149-V155 WeakPolarHBondContact O-CG2 3.34Å
150E94.9Very high91.9Very high113 Ų11329.9 Ų29.953%0.52818%0.178SC..THydrogen-bonded Turntrans-101.8-6.4-178.4-58.8-178.8168.400113.2H103 M104 N148H103-E150 CarbonylContact C-O 3.42Å; H103-E150 WeakPolarHBondContact CA-O 3.42Å; H103-E150 IonicContact CD2-OE2 3.87Å; H103-E150 PolarHBondContact CD2-OE2 3.15Å; H103-E150 IonicContact NE2-OE2 2.73Å; M104-E150 PolarHBondContact N-O 2.82Å; N148-E150 PolarHBondContact O-N 3.07Å; N148-E150 VanDerWaalsContact O-N 3.14Å; N148-E150 PolarHBondContact OD1-N 3.18Å
151S95.3Very high92Very high0 Ų029.9 Ų29.90%018%0.178CC..BIsolated β-bridgetrans-69150.4179.267.30000111.5E102 D146 N148 N153 T154 V155E102-S151 CarbonylContact O-C 3.6Å; E102-S151 VanDerWaalsContact O-CA 3.32Å; E102-S151 WeakPolarHBondContact O-CA 3.43Å; D146-S151 VanDerWaalsContact CG-OG 3.29Å; D146-S151 WeakPolarHBondContact OD1-CB 3.26Å; D146-S151 PolarHBondContact OD1-OG 2.87Å; D146-S151 WeakPolarHBondContact OD2-CB 3.22Å; D146-S151 PolarHBondContact OD2-OG 3.32Å; N148-S151 PolarHBondContact O-N 3.05Å; N148-S151 PolarHBondContact O-OG 2.84Å; S151-N153 PolarHBondContact O-N 3.47Å; S151-T154 PolarHBondContact O-N 3.01Å; S151-T154 PolarHBondContact OG-N 3.34Å; S151-T154 PolarHBondContact OG-OG1 2.9Å; S151-V155 WeakPolarHBondContact O-CB 3.31Å; S151-V155 VanDerWaalsContact O-CG2 3.27Å; S151-V155 WeakPolarHBondContact O-CG2 3.4Å; S151-V155 PolarHBondContact O-N 3.16Å
152I94.6Very high92.9Very high7 Ų731.7 Ų31.74%0.03619%0.185CC..Hα-helixtrans-53.8-42.2173.8-72.2166.5000110.6L95 T98 A100 E102 M104 E156L95-I152 HydrophobicContact CB-CG2 4.29Å; L95-I152 HydrophobicContact CD1-CG2 4.09Å; L95-I152 HydrophobicContact CD2-CG2 4.14Å; L95-I152 HydrophobicContact CG-CG2 4.39Å; T98-I152 HydrophobicContact CG2-CD1 3.4Å; A100-I152 WeakPolarHBondContact O-CB 3.1Å; A100-I152 PolarHBondContact O-N 2.04Å; E102-I152 HydrophobicContact CB-CD1 4.49Å; E102-I152 WeakPolarHBondContact O-CG1 3.39Å; E102-I152 PolarHBondContact O-N 3.05Å; M104-I152 HydrophobicContact CB-CG1 4.06Å; M104-I152 HydrophobicContact CE-CB 4.21Å; M104-I152 HydrophobicContact CE-CG1 4.03Å; M104-I152 HydrophobicContact CE-CG2 4.02Å; M104-I152 HydrophobicContact SD-CG1 3.91Å; I152-E156 WeakPolarHBondContact O-CB 3.47Å; I152-E156 PolarHBondContact O-N 3.14Å
153N92.6Very high93.6Very high17 Ų1727.1 Ų27.19%0.09116%0.161CC..Hα-helixtrans-49.2-58.3173.8-95.7-28.3000112.7A100 C143 L144 D146 S151 C157A100-N153 VanDerWaalsContact CB-OD1 3.22Å; A100-N153 WeakPolarHBondContact CB-OD1 3.18Å; A100-N153 WeakPolarHBondContact O-CB 3.43Å; A100-N153 PolarHBondContact O-N 3.32Å; A100-N153 PolarHBondContact O-ND2 2.97Å; C143-N153 WeakPolarHBondContact CA-OD1 3.34Å; C143-N153 WeakPolarHBondContact CB-O 3.27Å; L144-N153 PolarHBondContact N-OD1 2.93Å; L144-N153 WeakPolarHBondContact O-CB 3.35Å; L144-N153 PolarHBondContact O-ND2 3.45Å; L144-N153 PolarHBondContact O-OD1 3.03Å; D146-N153 PolarHBondContact OD2-ND2 3.26Å; S151-N153 PolarHBondContact O-N 3.47Å; N153-C157 WeakPolarHBondContact O-CB 3.12Å; N153-C157 PolarHBondContact O-N 3.03Å
154T93.7Very high94Very high12 Ų1227 Ų277%0.07416%0.159CC..Hα-helixtrans-73.6-41.5-175.1-57.60000111.4P145 D146 N148 S151 N158P145-T154 HydrophobicContact CB-CG2 4.48Å; D146-T154 PolarHBondContact N-OG1 3.06Å; D146-T154 PolarHBondContact OD1-OG1 3.34Å; N148-T154 WeakPolarHBondContact O-CB 3.46Å; N148-T154 PolarHBondContact O-OG1 3.05Å; S151-T154 PolarHBondContact O-N 3.01Å; S151-T154 PolarHBondContact OG-N 3.34Å; S151-T154 PolarHBondContact OG-OG1 2.9Å; T154-N158 WeakPolarHBondContact CG2-ND2 3.46Å; T154-N158 VanDerWaalsContact O-CB 3.27Å; T154-N158 WeakPolarHBondContact O-CB 3.41Å; T154-N158 VanDerWaalsContact O-CG 3.23Å; T154-N158 PolarHBondContact O-N 3.22Å; T154-N158 PolarHBondContact O-ND2 3.41Å
155V95.3Very high94.4Very high20 Ų2025.8 Ų25.812%0.12115%0.153CC..Hα-helixtrans-64.7-49.7-177.6175.30000111.4M104 Q109 P149 S151 N158 A159M104-V155 HydrophobicContact CB-CB 4.13Å; M104-V155 HydrophobicContact CB-CG1 4.21Å; M104-V155 HydrophobicContact CB-CG2 4.1Å; M104-V155 HydrophobicContact CE-CB 4.21Å; M104-V155 HydrophobicContact CE-CG1 4.04Å; M104-V155 HydrophobicContact CG-CB 4.36Å; M104-V155 HydrophobicContact CG-CG1 3.94Å; Q109-V155 HydrophobicContact CG-CG1 4.11Å; P149-V155 WeakPolarHBondContact O-CG2 3.34Å; S151-V155 WeakPolarHBondContact O-CB 3.31Å; S151-V155 VanDerWaalsContact O-CG2 3.27Å; S151-V155 WeakPolarHBondContact O-CG2 3.4Å; S151-V155 PolarHBondContact O-N 3.16Å; V155-N158 PolarHBondContact O-N 3.12Å; V155-A159 VanDerWaalsContact O-CB 3.27Å; V155-A159 WeakPolarHBondContact O-CB 3.28Å; V155-A159 PolarHBondContact O-N 3.47Å
156E95.2Very high94.7Very high6 Ų631.8 Ų31.83%0.02818%0.175CC..Hα-helixtrans-63.4-49.1-178.917868.3177.100111.3Y90 L95 M104 C143 I152 N158 A159 V160Y90-E156 WeakPolarHBondContact CE1-OE1 3.48Å; L95-E156 HydrophobicContact CD1-CB 4Å; L95-E156 VanDerWaalsContact CD1-CD 3.44Å; L95-E156 HydrophobicContact CD1-CG 3.81Å; L95-E156 VanDerWaalsContact CD1-OE2 3.29Å; L95-E156 WeakPolarHBondContact CD1-OE2 3.15Å; M104-E156 HydrophobicContact CE-CB 4.37Å; C143-E156 HydrophobicContact CB-CB 4.16Å; C143-E156 HydrophobicContact CB-CG 4.21Å; I152-E156 WeakPolarHBondContact O-CB 3.47Å; I152-E156 PolarHBondContact O-N 3.14Å; E156-N158 VanDerWaalsContact C-N 3.34Å; E156-N158 PolarHBondContact O-N 2.91Å; E156-A159 PolarHBondContact O-N 2.97Å; E156-A159 VanDerWaalsContact O-N 3.15Å; E156-V160 HydrophobicContact CG-CG2 4.49Å; E156-V160 WeakPolarHBondContact O-CG2 3.1Å; E156-V160 PolarHBondContact O-N 2.93Å
157C93.9Very high95Very high0 Ų030.4 Ų30.40%017%0.168CC..Hα-helixtrans-59.8-45.2179.8-94.30000111.8C143 P145 N153 L161C143-C157 HydrophobicContact CB-CB 4.01Å; C143-C157 WeakPolarHBondContact CB-SG 3.23Å; C143-C157 PolarHBondContact O-SG 2.76Å; C143-C157 WeakPolarHBondContact SG-CA 3.34Å; C143-C157 WeakPolarHBondContact SG-CB 3.03Å; C143-C157 PolarHBondContact SG-N 3.14Å; C143-C157 VanDerWaalsContact SG-N 3.43Å; C143-C157 CovalentContact SG-SG 2.05Å; C143-C157 PolarHBondContact SG-SG 3.31Å; P145-C157 HydrophobicContact CG-CB 4.01Å; N153-C157 WeakPolarHBondContact O-CB 3.12Å; N153-C157 PolarHBondContact O-N 3.03Å; C157-L161 WeakPolarHBondContact O-CB 3.26Å; C157-L161 VanDerWaalsContact O-CG 3.23Å; C157-L161 WeakPolarHBondContact O-CG 3.31Å; C157-L161 PolarHBondContact O-N 2.8Å
158N95.2Very high95.4Very high23 Ų2331.7 Ų31.712%0.12316%0.16CC..Hα-helixtrans-65.9-38.9176.7-72.9-18.1000111.5T154 V155 E156 N162 S192T154-N158 WeakPolarHBondContact CG2-ND2 3.46Å; T154-N158 VanDerWaalsContact O-CB 3.27Å; T154-N158 WeakPolarHBondContact O-CB 3.41Å; T154-N158 VanDerWaalsContact O-CG 3.23Å; T154-N158 PolarHBondContact O-N 3.22Å; T154-N158 PolarHBondContact O-ND2 3.41Å; V155-N158 PolarHBondContact O-N 3.12Å; E156-N158 VanDerWaalsContact C-N 3.34Å; E156-N158 PolarHBondContact O-N 2.91Å; N158-N162 WeakPolarHBondContact O-CB 3.37Å; N158-N162 PolarHBondContact O-N 3.41Å; N158-N162 PolarHBondContact O-ND2 3.49Å; N158-S192 WeakPolarHBondContact OD1-CB 3.37Å; N158-S192 PolarHBondContact OD1-OG 3.48Å
159A95.9Very high95.5Very high12 Ų1229 Ų2910%0.09915%0.146CC..Hα-helixtrans-62.1-49.5178.200000112D113 L117 V155 E156 N162 A163D113-A159 HydrophobicContact CB-CB 4.42Å; D113-A159 WeakPolarHBondContact OD1-CB 3.5Å; L117-A159 HydrophobicContact CD2-CB 4.33Å; V155-A159 VanDerWaalsContact O-CB 3.27Å; V155-A159 WeakPolarHBondContact O-CB 3.28Å; V155-A159 PolarHBondContact O-N 3.47Å; E156-A159 PolarHBondContact O-N 2.97Å; E156-A159 VanDerWaalsContact O-N 3.15Å; A159-N162 PolarHBondContact O-N 3.47Å; A159-A163 WeakPolarHBondContact O-CB 3.42Å; A159-A163 PolarHBondContact O-N 3.49Å
160V97.1Very high95.6Very high0 Ų027.9 Ų27.90%014%0.14CC..Hα-helixtrans-62.5-47.8179.2177.50000111.1Y90 L117 L137 F140 E156 A163 A164Y90-V160 HydrophobicContact CD1-CG1 4.41Å; Y90-V160 HydrophobicContact CD1-CG2 3.63Å; Y90-V160 HydrophobicContact CE1-CG2 3.56Å; L117-V160 HydrophobicContact CD1-CG2 4.18Å; L137-V160 HydrophobicContact CD2-CG1 3.86Å; F140-V160 HydrophobicContact CB-CG1 3.99Å; F140-V160 HydrophobicContact CD1-CG1 4.44Å; F140-V160 HydrophobicContact CD2-CB 4.13Å; F140-V160 HydrophobicContact CD2-CG1 3.62Å; F140-V160 HydrophobicContact CE2-CG1 4.22Å; F140-V160 HydrophobicContact CG-CG1 3.75Å; E156-V160 HydrophobicContact CG-CG2 4.49Å; E156-V160 WeakPolarHBondContact O-CG2 3.1Å; E156-V160 PolarHBondContact O-N 2.93Å; V160-A163 CarbonylContact O-C 3.59Å; V160-A163 WeakPolarHBondContact O-CB 3.42Å; V160-A163 PolarHBondContact O-N 3.02Å; V160-A163 VanDerWaalsContact O-N 3.14Å; V160-A164 PolarHBondContact O-N 3.18Å
161L96.6Very high95.7Very high0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-69.2-37.1-178.8-66.3176000112.5F140 C157 A163 A164 D165 W171 S192 F193F140-L161 HydrophobicContact CE1-CD2 4.49Å; F140-L161 HydrophobicContact CE2-CD2 4.17Å; F140-L161 HydrophobicContact CE2-CG 4.37Å; F140-L161 HydrophobicContact CZ-CD2 3.72Å; F140-L161 HydrophobicContact CZ-CG 4.39Å; C157-L161 WeakPolarHBondContact O-CB 3.26Å; C157-L161 VanDerWaalsContact O-CG 3.23Å; C157-L161 WeakPolarHBondContact O-CG 3.31Å; C157-L161 PolarHBondContact O-N 2.8Å; L161-A163 VanDerWaalsContact C-N 3.29Å; L161-A163 PolarHBondContact O-N 3.27Å; L161-A164 WeakPolarHBondContact O-CB 3.4Å; L161-A164 PolarHBondContact O-N 3.48Å; L161-D165 PolarHBondContact O-N 2.97Å; L161-W171 HydrophobicContact CD2-CD2 3.64Å; L161-W171 HydrophobicContact CD2-CE3 4.13Å; L161-W171 HydrophobicContact CD2-CG 4.12Å; L161-W171 HydrophobicContact CD2-CH2 4.11Å; L161-W171 HydrophobicContact CD2-CZ2 3.59Å; L161-W171 HydrophobicContact CD2-CZ3 4.35Å; L161-S192 WeakPolarHBondContact CD1-O 3.12Å; L161-F193 HydrophobicContact CD1-CD1 4.01Å; L161-F193 HydrophobicContact CD1-CE1 4.37Å
162N97.1Very high95.6Very high51 Ų5128.4 Ų28.427%0.27314%0.144SC..Hα-helixtrans-65.1-34.2171.5-70.5-22.1000111.4N158 A159 R166 R195N158-N162 WeakPolarHBondContact O-CB 3.37Å; N158-N162 PolarHBondContact O-N 3.41Å; N158-N162 PolarHBondContact O-ND2 3.49Å; A159-N162 PolarHBondContact O-N 3.47Å; N162-R166 VanDerWaalsContact C-NH1 3.26Å; N162-R166 VanDerWaalsContact O-CG 3.29Å; N162-R166 WeakPolarHBondContact O-CG 3.46Å; N162-R166 PolarHBondContact O-N 3.29Å; N162-R166 VanDerWaalsContact O-N 3.09Å; N162-R166 PolarHBondContact O-NH1 2.98Å; N162-R166 VanDerWaalsContact O-NH1 3.11Å; N162-R195 PolarHBondContact OD1-NH2 2.85Å
163A97Very high95.4Very high0 Ų029.4 Ų29.40%015%0.148CC..Hα-helixtrans-70.9-38.4174.300000112.1L117 F121 A159 V160 L161 R166 N167L117-A163 HydrophobicContact CD1-CB 4.13Å; L117-A163 HydrophobicContact CD2-CB 3.55Å; L117-A163 HydrophobicContact CG-CB 3.77Å; F121-A163 HydrophobicContact CD2-CB 4.37Å; F121-A163 HydrophobicContact CE2-CB 4.08Å; F121-A163 HydrophobicContact CZ-CB 4.24Å; A159-A163 WeakPolarHBondContact O-CB 3.42Å; A159-A163 PolarHBondContact O-N 3.49Å; V160-A163 CarbonylContact O-C 3.59Å; V160-A163 WeakPolarHBondContact O-CB 3.42Å; V160-A163 PolarHBondContact O-N 3.02Å; V160-A163 VanDerWaalsContact O-N 3.14Å; L161-A163 VanDerWaalsContact C-N 3.29Å; L161-A163 PolarHBondContact O-N 3.27Å; A163-R166 PolarHBondContact O-N 3.07Å; A163-N167 WeakPolarHBondContact O-CB 3.23Å; A163-N167 PolarHBondContact O-N 3.28Å; A163-N167 PolarHBondContact O-ND2 3.05Å
164A97.3Very high95.1Very high0 Ų034.2 Ų34.20%017%0.165CC..Hα-helixtrans-58.4-49.3173.600000110.9F121 V160 L161 R166 N167 F168 E169F121-A164 HydrophobicContact CE1-CB 4.36Å; F121-A164 HydrophobicContact CZ-CB 4.26Å; V160-A164 PolarHBondContact O-N 3.18Å; L161-A164 WeakPolarHBondContact O-CB 3.4Å; L161-A164 PolarHBondContact O-N 3.48Å; A164-R166 PolarHBondContact O-N 2.93Å; A164-N167 CarbonylContact O-C 3.53Å; A164-N167 PolarHBondContact O-N 2.87Å; A164-N167 VanDerWaalsContact O-N 3.12Å; A164-F168 PolarHBondContact O-N 2.93Å; A164-E169 HydrophobicContact CB-CB 4.15Å; A164-E169 PolarHBondContact O-N 3.08Å
165D97.2Very high94.5Very high14 Ų1436.4 Ų36.48%0.07518%0.176CC..Hα-helixtrans-54.7-52.8174.3-80.1-2.1000112.7L161 N167 F168 R195 L208 F210L161-D165 PolarHBondContact O-N 2.97Å; D165-N167 PolarHBondContact O-N 2.83Å; D165-N167 VanDerWaalsContact O-N 3.15Å; D165-F168 PolarHBondContact O-N 2.76Å; D165-F168 VanDerWaalsContact O-N 3.16Å; D165-R195 IonicContact OD1-NE 3.37Å; D165-R195 PolarHBondContact OD1-NE 3.41Å; D165-R195 IonicContact OD2-CZ 3.56Å; D165-R195 VanDerWaalsContact OD2-CZ 3.23Å; D165-R195 IonicContact OD2-NE 3.43Å; D165-R195 PolarHBondContact OD2-NE 3.19Å; D165-R195 IonicContact OD2-NH2 3.55Å; D165-R195 PolarHBondContact OD2-NH2 3.16Å; D165-L208 HydrophobicContact CB-CD2 3.33Å; D165-F210 WeakPolarHBondContact OD2-CB 3.24Å
166R96.5Very high93.3Very high129 Ų12935.8 Ų35.849%0.48717%0.174SC..Hα-helixtrans-59.5-27.8179.3-74.7-171.4-52.5-88.88.6113.1N162 A163 A164N162-R166 VanDerWaalsContact C-NH1 3.26Å; N162-R166 VanDerWaalsContact O-CG 3.29Å; N162-R166 WeakPolarHBondContact O-CG 3.46Å; N162-R166 PolarHBondContact O-N 3.29Å; N162-R166 VanDerWaalsContact O-N 3.09Å; N162-R166 PolarHBondContact O-NH1 2.98Å; N162-R166 VanDerWaalsContact O-NH1 3.11Å; A163-R166 PolarHBondContact O-N 3.07Å; A164-R166 PolarHBondContact O-N 2.93Å
167N96.4Very high92.2Very high30 Ų3044.4 Ų44.416%0.1621%0.207CC..Hα-helixtrans-100.70.7-177-76.3-81.2000113.6F121 R135 A163 A164 D165 E169F121-N167 HydrophobicContact CD1-CB 3.52Å; F121-N167 WeakPolarHBondContact CD1-ND2 3.37Å; F121-N167 HydrophobicContact CE1-CB 4.03Å; F121-N167 HydrophobicContact CG-CB 4.49Å; R135-N167 PolarHBondContact NH2-O 2.97Å; A163-N167 WeakPolarHBondContact O-CB 3.23Å; A163-N167 PolarHBondContact O-N 3.28Å; A163-N167 PolarHBondContact O-ND2 3.05Å; A164-N167 CarbonylContact O-C 3.53Å; A164-N167 PolarHBondContact O-N 2.87Å; A164-N167 VanDerWaalsContact O-N 3.12Å; D165-N167 PolarHBondContact O-N 2.83Å; D165-N167 VanDerWaalsContact O-N 3.15Å; N167-E169 HydrophobicContact CB-CB 4.46Å; N167-E169 PolarHBondContact O-N 3.07Å
168F95.4Very high90.9Very high74 Ų7450.8 Ų50.833%0.32524%0.237SC..THydrogen-bonded Turntrans53.143.8-171-59.4-78.5000112.2A164 D165 P205 L208 Y219A164-F168 PolarHBondContact O-N 2.93Å; D165-F168 PolarHBondContact O-N 2.76Å; D165-F168 VanDerWaalsContact O-N 3.16Å; F168-P205 HydrophobicContact CD1-CB 3.7Å; F168-P205 HydrophobicContact CD1-CG 4.46Å; F168-P205 HydrophobicContact CD2-CB 4.29Å; F168-P205 HydrophobicContact CE1-CB 3.31Å; F168-P205 HydrophobicContact CE1-CG 4.42Å; F168-P205 HydrophobicContact CE2-CB 3.96Å; F168-P205 HydrophobicContact CG-CB 4.16Å; F168-P205 HydrophobicContact CZ-CB 3.44Å; F168-P205 VanDerWaalsContact CZ-CB 3.44Å; F168-L208 HydrophobicContact CD1-CB 4.15Å; F168-L208 HydrophobicContact CD1-CD1 4.26Å; F168-L208 HydrophobicContact CE1-CB 3.46Å; F168-L208 VanDerWaalsContact CE1-CB 3.46Å; F168-L208 HydrophobicContact CE1-CD1 4.09Å; F168-L208 HydrophobicContact CE1-CG 4.44Å; F168-L208 HydrophobicContact CZ-CB 3.93Å; F168-Y219 HydrophobicContact CE1-CD2 4.41Å; F168-Y219 AromaticContact CE1-CE2 3.89Å; F168-Y219 HydrophobicContact CE1-CE2 3.89Å
169E96Very high89.6Confident8 Ų849.9 Ų49.94%0.03723%0.232CC..  trans-98.3121.5-179.3-169.375-133.800110.1Y88 F121 R135 F136 L137 A164 N167Y88-E169 WeakPolarHBondContact CE1-OE1 3.43Å; Y88-E169 WeakPolarHBondContact OH-CG 2.99Å; Y88-E169 PolarHBondContact OH-OE2 2.85Å; Y88-E169 VanDerWaalsContact OH-OE2 3.07Å; F121-E169 HydrophobicContact CD1-CB 4.33Å; F121-E169 HydrophobicContact CE1-CB 3.59Å; F121-E169 HydrophobicContact CE1-CG 3.73Å; F121-E169 HydrophobicContact CZ-CG 4.45Å; R135-E169 WeakPolarHBondContact CB-OE1 3.15Å; R135-E169 WeakPolarHBondContact CD-OE2 3.39Å; R135-E169 VanDerWaalsContact CG-OE1 3.26Å; R135-E169 WeakPolarHBondContact CG-OE1 3.2Å; R135-E169 IonicContact CZ-OE2 3.74Å; R135-E169 IonicContact NE-OE2 3.86Å; R135-E169 PolarHBondContact NE-OE2 2.83Å; R135-E169 VanDerWaalsContact NE-OE2 3.08Å; R135-E169 IonicContact NH1-OE2 3.08Å; R135-E169 PolarHBondContact NH1-OE2 3.38Å; R135-E169 IonicContact NH2-OE2 3.31Å; F136-E169 WeakPolarHBondContact CA-OE1 3.5Å; F136-E169 PolarHBondContact N-OE1 3.17Å; L137-E169 HydrophobicContact CB-CG 4.07Å; A164-E169 HydrophobicContact CB-CB 4.15Å; A164-E169 PolarHBondContact O-N 3.08Å; N167-E169 HydrophobicContact CB-CB 4.46Å; N167-E169 PolarHBondContact O-N 3.07Å
170S95.5Very high88.2Confident70 Ų7055.2 Ų55.249%0.4925%0.254SS..  trans-75147.4169.3-60.70000110.3L137L137-S170 PolarHBondContact N-O 2.84Å
171W96Very high86.8Confident62 Ų6258.6 Ų58.624%0.23528%0.277CS..BIsolated β-bridgetrans-143.5158.5-17558.5-92.9000112.7F136 L137 F140 L161 F193F136-W171 VanDerWaalsContact CE1-C 3.44Å; L137-W171 HydrophobicContact CB-CB 3.99Å; L137-W171 HydrophobicContact CD2-CB 4.21Å; L137-W171 HydrophobicContact CG-CB 4.35Å; L137-W171 CarbonylContact O-C 3.5Å; L137-W171 WeakPolarHBondContact O-CA 3.28Å; F140-W171 HydrophobicContact CE1-CB 4.15Å; F140-W171 HydrophobicContact CE1-CD2 4.19Å; F140-W171 AromaticContact CE1-CE3 3.72Å; F140-W171 HydrophobicContact CE1-CE3 3.72Å; F140-W171 HydrophobicContact CE1-CG 4.38Å; F140-W171 HydrophobicContact CZ-CD2 4.35Å; F140-W171 AromaticContact CZ-CE3 3.84Å; F140-W171 HydrophobicContact CZ-CE3 3.84Å; F140-W171 HydrophobicContact CZ-CZ3 4.27Å; L161-W171 HydrophobicContact CD2-CD2 3.64Å; L161-W171 HydrophobicContact CD2-CE3 4.13Å; L161-W171 HydrophobicContact CD2-CG 4.12Å; L161-W171 HydrophobicContact CD2-CH2 4.11Å; L161-W171 HydrophobicContact CD2-CZ2 3.59Å; L161-W171 HydrophobicContact CD2-CZ3 4.35Å; W171-F193 HydrophobicContact CH2-CB 3.95Å; W171-F193 AromaticContact CH2-CD1 3.92Å; W171-F193 HydrophobicContact CH2-CD1 3.92Å; W171-F193 HydrophobicContact CH2-CG 4.44Å; W171-F193 WeakPolarHBondContact CH2-O 3.12Å; W171-F193 WeakPolarHBondContact CZ2-O 3.18Å; W171-F193 AromaticContact CZ3-CD1 3.96Å; W171-F193 HydrophobicContact CZ3-CD1 3.96Å
172T93Very high85.3Confident62 Ų6265.2 Ų65.238%0.3831%0.313SS..  trans-128150164.246.30000109.4F136 L137 T138 F140F136-T172 HydrophobicContact CE1-CG2 3.6Å; F136-T172 HydrophobicContact CZ-CG2 3.79Å; L137-T172 PolarHBondContact O-N 3.05Å; T138-T172 CarbonylContact C-O 3.53Å; T138-T172 WeakPolarHBondContact CA-OG1 3.5Å; T138-T172 PolarHBondContact O-OG1 3.07Å; F140-T172 WeakPolarHBondContact CE1-O 3.48Å
173Y90.9Very high83.9Confident28 Ų2868.3 Ų68.311%0.1133%0.328CS..  trans-106.7124.5174.5-172.2-111.5000109.2F140 C143 D175 L179 F193F140-Y173 HydrophobicContact CD2-CD2 4.36Å; F140-Y173 HydrophobicContact CE1-CD2 4.16Å; F140-Y173 AromaticContact CE2-CD2 3.81Å; F140-Y173 HydrophobicContact CE2-CD2 3.81Å; F140-Y173 HydrophobicContact CE2-CE2 4.25Å; F140-Y173 AromaticContact CZ-CD2 3.7Å; F140-Y173 HydrophobicContact CZ-CD2 3.7Å; F140-Y173 HydrophobicContact CZ-CG 4.42Å; C143-Y173 PolarHBondContact O-OH 3.4Å; Y173-D175 HydrophobicContact CE1-CB 3.92Å; Y173-D175 WeakPolarHBondContact CE1-O 3.14Å; Y173-L179 HydrophobicContact CD1-CD1 3.97Å; Y173-L179 HydrophobicContact CE1-CD1 3.97Å; Y173-F193 HydrophobicContact CD1-CE1 4.04Å; Y173-F193 HydrophobicContact CD1-CZ 4.1Å; Y173-F193 AromaticContact CD2-CE1 3.69Å; Y173-F193 HydrophobicContact CD2-CE1 3.69Å; Y173-F193 HydrophobicContact CD2-CZ 4.16Å; Y173-F193 HydrophobicContact CE1-CE1 4.34Å; Y173-F193 AromaticContact CE1-CZ 3.99Å; Y173-F193 HydrophobicContact CE1-CZ 3.99Å; Y173-F193 HydrophobicContact CE2-CE1 4.01Å; Y173-F193 HydrophobicContact CE2-CZ 4.04Å; Y173-F193 HydrophobicContact CG-CD1 4.34Å; Y173-F193 AromaticContact CG-CE1 3.7Å; Y173-F193 HydrophobicContact CG-CE1 3.7Å; Y173-F193 HydrophobicContact CG-CZ 4.18Å; Y173-F193 AromaticContact CZ-CZ 3.95Å
174W86.1Confident83Confident118 Ų11872 Ų7245%0.44735%0.348SS..SBendtrans-85.8-34.5-171.371.6-85.5000112.7Y91 E139 L142 G176Y91-W174 AromaticContact CZ-NE1 3.96Å; Y91-W174 PolarHBondContact OH-NE1 2.96Å; E139-W174 HydrophobicContact CB-CG 4.28Å; E139-W174 HydrophobicContact CG-CB 3.99Å; E139-W174 HydrophobicContact CG-CG 4.02Å; L142-W174 HydrophobicContact CD2-CH2 3.97Å; L142-W174 HydrophobicContact CD2-CZ2 3.53Å; L142-W174 HydrophobicContact CG-CZ2 4.33Å; W174-G176 PolarHBondContact O-N 2.97Å
175D81.9Confident82Confident57 Ų5776 Ų7631%0.30537%0.372SS..  trans-86.547.3-175.4-161.911.5000112.2Y173 Y177Y173-D175 HydrophobicContact CE1-CB 3.92Å; Y173-D175 WeakPolarHBondContact CE1-O 3.14Å; D175-Y177 VanDerWaalsContact C-N 3.3Å; D175-Y177 PolarHBondContact O-N 3.12Å
176G69.5Low80.9Confident7 Ų783.2 Ų83.27%0.07241%0.406CS..  trans-80.9-1.3-172.800000115.2W174 E178 L179 F180W174-G176 PolarHBondContact O-N 2.97Å; G176-E178 VanDerWaalsContact C-N 3.29Å; G176-E178 PolarHBondContact O-N 2.88Å; G176-L179 PolarHBondContact O-N 2.91Å; G176-F180 WeakPolarHBondContact O-CD2 3.47Å; G176-F180 PolarHBondContact O-N 3.16Å
177Y71.8Confident80.1Confident187 Ų18779.3 Ų79.373%0.73339%0.394SS*.Hα-helixtrans-58.5-40.9-170.3-175-97.4000112.5D175 S181D175-Y177 VanDerWaalsContact C-N 3.3Å; D175-Y177 PolarHBondContact O-N 3.12Å; Y177-S181 WeakPolarHBondContact O-CB 3.39Å; Y177-S181 PolarHBondContact O-OG 3.18Å
178E67.2Low79.3Confident134 Ų13481.3 Ų81.363%0.62640%0.404SS*.Hα-helixtrans-73.9-27.5177.4-61.1-168.8170.700113.1L144 G176L144-E178 WeakPolarHBondContact CD2-OE2 3.38Å; G176-E178 VanDerWaalsContact C-N 3.29Å; G176-E178 PolarHBondContact O-N 2.88Å
179L68.3Low78.7Confident5 Ų578.3 Ų78.33%0.02639%0.393CS..Hα-helixtrans-81.6-41.5-178.5-69.2173.4000113L144 Y173 G176 L190 F193L144-L179 HydrophobicContact CD1-CD1 4.11Å; L144-L179 HydrophobicContact CD1-CD2 3.56Å; L144-L179 HydrophobicContact CD1-CG 3.78Å; Y173-L179 HydrophobicContact CD1-CD1 3.97Å; Y173-L179 HydrophobicContact CE1-CD1 3.97Å; G176-L179 PolarHBondContact O-N 2.91Å; L179-L190 HydrophobicContact CB-CD2 4.37Å; L179-L190 HydrophobicContact CD2-CD2 4.01Å; L179-F193 HydrophobicContact CD1-CD2 3.79Å; L179-F193 HydrophobicContact CD1-CE2 3.64Å; L179-F193 HydrophobicContact CD1-CZ 4.26Å
180F65.9Low78.3Confident124 Ų12478.5 Ų78.554%0.54439%0.394SS..Hα-helixtrans-97.5-19.9-166.7-63.8-64.7000114.8G176 N182 L183G176-F180 WeakPolarHBondContact O-CD2 3.47Å; G176-F180 PolarHBondContact O-N 3.16Å; F180-N182 VanDerWaalsContact C-N 3.28Å; F180-N182 PolarHBondContact O-N 3.19Å; F180-L183 HydrophobicContact CD1-CD1 4.32Å; F180-L183 HydrophobicContact CD1-CD2 3.88Å; F180-L183 HydrophobicContact CD1-CG 4.25Å; F180-L183 HydrophobicContact CE1-CD2 4.36Å
181S67.2Low78Confident70 Ų7079.5 Ų79.549%0.4939%0.389SS..THydrogen-bonded Turntrans-63.7-33-177.149.20000112.9Y177Y177-S181 WeakPolarHBondContact O-CB 3.39Å; Y177-S181 PolarHBondContact O-OG 3.18Å
182N65.5Low77.8Confident140 Ų14076.7 Ų76.775%0.74938%0.379SS*.THydrogen-bonded Turntrans-138.773.5172.2-69.1-48.2000109.8F180 N184F180-N182 VanDerWaalsContact C-N 3.28Å; F180-N182 PolarHBondContact O-N 3.19Å; N182-N184 PolarHBondContact O-N 3.46Å
183L67.6Low77.7Confident116 Ų11674.9 Ų74.961%0.60737%0.366SS*.  trans-53.5102177.4-83.1169.1000110.9F180 L190F180-L183 HydrophobicContact CD1-CD1 4.32Å; F180-L183 HydrophobicContact CD1-CD2 3.88Å; F180-L183 HydrophobicContact CD1-CG 4.25Å; F180-L183 HydrophobicContact CE1-CD2 4.36Å; L183-L190 HydrophobicContact CD2-CD1 4.16Å; L183-L190 HydrophobicContact CD2-CD2 4.23Å
184N77.8Confident77.8Confident76 Ų7674.8 Ų74.841%0.40637%0.369SS..  trans-108.6118169.4-179.23.1000108N182 E186 N187 L190N182-N184 PolarHBondContact O-N 3.46Å; N184-E186 PolarHBondContact O-N 2.78Å; N184-E186 VanDerWaalsContact O-N 3.15Å; N184-E186 WeakPolarHBondContact OD1-CB 3.49Å; N184-E186 PolarHBondContact OD1-N 2.97Å; N184-N187 HydrophobicContact CB-CB 4.36Å; N184-N187 WeakPolarHBondContact O-CB 3.21Å; N184-N187 PolarHBondContact O-N 3.5Å; N184-L190 WeakPolarHBondContact O-CD1 3.38Å
185V75.7Confident78.2Confident84 Ų8469.4 Ų69.451%0.50935%0.349SS..THydrogen-bonded Turntrans-60.8-21.2177.2-66.40000113.1N187V185-N187 VanDerWaalsContact C-N 3.27Å
186E74.7Confident79Confident167 Ų16766.8 Ų66.878%0.7834%0.335SS*.THydrogen-bonded Turntrans-80.9-6.8173.9-56.3-178.9163.300112.9N184 I188N184-E186 PolarHBondContact O-N 2.78Å; N184-E186 VanDerWaalsContact O-N 3.15Å; N184-E186 WeakPolarHBondContact OD1-CB 3.49Å; N184-E186 PolarHBondContact OD1-N 2.97Å; E186-I188 PolarHBondContact O-N 3.07Å; E186-I188 VanDerWaalsContact O-N 3.1Å
187N80.1Confident80.3Confident46 Ų4671.1 Ų71.125%0.24635%0.35CS..  trans-65.6113.5177.5-173.2-11.4000109.8N184 V185 S189 L190N184-N187 HydrophobicContact CB-CB 4.36Å; N184-N187 WeakPolarHBondContact O-CB 3.21Å; N184-N187 PolarHBondContact O-N 3.5Å; V185-N187 VanDerWaalsContact C-N 3.27Å; N187-S189 PolarHBondContact O-N 3.04Å; N187-S189 VanDerWaalsContact O-N 3.13Å; N187-S189 WeakPolarHBondContact OD1-CB 3.34Å; N187-S189 PolarHBondContact OD1-N 2.8Å; N187-S189 PolarHBondContact OD1-OG 3.31Å; N187-L190 HydrophobicContact CB-CD1 4.2Å; N187-L190 HydrophobicContact CB-CG 4.2Å; N187-L190 WeakPolarHBondContact O-CB 3.47Å; N187-L190 PolarHBondContact O-N 3.12Å
188I80.1Confident81.5Confident73 Ų7363.3 Ų63.337%0.37432%0.322SS..THydrogen-bonded Turntrans-55.6-32.1180-165.869.3000112.1E186 L190 K191E186-I188 PolarHBondContact O-N 3.07Å; E186-I188 VanDerWaalsContact O-N 3.1Å; I188-L190 PolarHBondContact O-N 3.32Å; I188-K191 HydrophobicContact CD1-CD 3.76Å; I188-K191 HydrophobicContact CD1-CG 4.42Å; I188-K191 WeakPolarHBondContact O-CB 3.29Å; I188-K191 PolarHBondContact O-N 3.29Å; I188-K191 VanDerWaalsContact O-N 3.15Å
189S82.7Confident82.8Confident11 Ų1161.2 Ų61.28%0.07731%0.312CS..THydrogen-bonded Turntrans-62.5-28.2179.4-50.50000112.6P145 N187 K191 F193P145-S189 WeakPolarHBondContact O-CA 3.32Å; P145-S189 WeakPolarHBondContact O-CB 3.36Å; P145-S189 PolarHBondContact O-OG 3.27Å; N187-S189 PolarHBondContact O-N 3.04Å; N187-S189 VanDerWaalsContact O-N 3.13Å; N187-S189 WeakPolarHBondContact OD1-CB 3.34Å; N187-S189 PolarHBondContact OD1-N 2.8Å; N187-S189 PolarHBondContact OD1-OG 3.31Å; S189-K191 VanDerWaalsContact C-N 3.29Å; S189-K191 PolarHBondContact O-N 2.91Å; S189-F193 WeakPolarHBondContact O-CD2 3.48Å; S189-F193 WeakPolarHBondContact O-CE2 3.35Å
190L86.7Confident84.1Confident12 Ų1263.6 Ų63.66%0.06333%0.33CS..Hα-helixtrans-72.8-19.3179.3-68.5176.6000113.6L179 L183 N184 N187 I188 S192 F193 S194 I246L179-L190 HydrophobicContact CB-CD2 4.37Å; L179-L190 HydrophobicContact CD2-CD2 4.01Å; L183-L190 HydrophobicContact CD2-CD1 4.16Å; L183-L190 HydrophobicContact CD2-CD2 4.23Å; N184-L190 WeakPolarHBondContact O-CD1 3.38Å; N187-L190 HydrophobicContact CB-CD1 4.2Å; N187-L190 HydrophobicContact CB-CG 4.2Å; N187-L190 WeakPolarHBondContact O-CB 3.47Å; N187-L190 PolarHBondContact O-N 3.12Å; I188-L190 PolarHBondContact O-N 3.32Å; L190-S192 PolarHBondContact O-N 3.2Å; L190-F193 PolarHBondContact O-N 2.82Å; L190-S194 VanDerWaalsContact O-CB 3.26Å; L190-S194 WeakPolarHBondContact O-CB 3.5Å; L190-S194 PolarHBondContact O-N 3.04Å; L190-S194 PolarHBondContact O-OG 3.31Å; L190-I246 HydrophobicContact CB-CD1 4.46Å
191K89.9Confident85.5Confident90 Ų9059.2 Ų59.239%0.39131%0.313SS..Hα-helixtrans-60.5-44.2-174.8-73.5-163.8178.1-178.30112.5I188 S189 V212 I246 H247I188-K191 HydrophobicContact CD1-CD 3.76Å; I188-K191 HydrophobicContact CD1-CG 4.42Å; I188-K191 WeakPolarHBondContact O-CB 3.29Å; I188-K191 PolarHBondContact O-N 3.29Å; I188-K191 VanDerWaalsContact O-N 3.15Å; S189-K191 VanDerWaalsContact C-N 3.29Å; S189-K191 PolarHBondContact O-N 2.91Å; K191-V212 HydrophobicContact CB-CG2 4.12Å; K191-V212 WeakPolarHBondContact O-CG2 3.46Å; K191-I246 HydrophobicContact CG-CG2 4.08Å; K191-H247 PolarHBondContact O-NE2 3.35Å
192S91.3Very high86.7Confident4 Ų457.6 Ų57.63%0.02830%0.304CS..Hα-helixtrans-66.1-39.8-179-60.70000112.3P145 N158 L161 L190 R195P145-S192 WeakPolarHBondContact CG-OG 3.16Å; N158-S192 WeakPolarHBondContact OD1-CB 3.37Å; N158-S192 PolarHBondContact OD1-OG 3.48Å; L161-S192 WeakPolarHBondContact CD1-O 3.12Å; L190-S192 PolarHBondContact O-N 3.2Å; S192-R195 WeakPolarHBondContact O-CD 3.17Å; S192-R195 WeakPolarHBondContact O-CG 3.11Å; S192-R195 PolarHBondContact O-NH1 3.32Å
193F91.7Very high88Confident24 Ų2451.5 Ų51.511%0.10527%0.274CS..Hα-helixtrans-79.3-27.6-178-59-71.3000113.3F140 P145 L161 W171 Y173 L179 S189 L190 R195F140-F193 HydrophobicContact CE2-CE1 4.23Å; F140-F193 HydrophobicContact CZ-CE1 4.18Å; P145-F193 HydrophobicContact CG-CE2 4.39Å; L161-F193 HydrophobicContact CD1-CD1 4.01Å; L161-F193 HydrophobicContact CD1-CE1 4.37Å; W171-F193 HydrophobicContact CH2-CB 3.95Å; W171-F193 AromaticContact CH2-CD1 3.92Å; W171-F193 HydrophobicContact CH2-CD1 3.92Å; W171-F193 HydrophobicContact CH2-CG 4.44Å; W171-F193 WeakPolarHBondContact CH2-O 3.12Å; W171-F193 WeakPolarHBondContact CZ2-O 3.18Å; W171-F193 AromaticContact CZ3-CD1 3.96Å; W171-F193 HydrophobicContact CZ3-CD1 3.96Å; Y173-F193 HydrophobicContact CD1-CE1 4.04Å; Y173-F193 HydrophobicContact CD1-CZ 4.1Å; Y173-F193 AromaticContact CD2-CE1 3.69Å; Y173-F193 HydrophobicContact CD2-CE1 3.69Å; Y173-F193 HydrophobicContact CD2-CZ 4.16Å; Y173-F193 HydrophobicContact CE1-CE1 4.34Å; Y173-F193 AromaticContact CE1-CZ 3.99Å; Y173-F193 HydrophobicContact CE1-CZ 3.99Å; Y173-F193 HydrophobicContact CE2-CE1 4.01Å; Y173-F193 HydrophobicContact CE2-CZ 4.04Å; Y173-F193 HydrophobicContact CG-CD1 4.34Å; Y173-F193 AromaticContact CG-CE1 3.7Å; Y173-F193 HydrophobicContact CG-CE1 3.7Å; Y173-F193 HydrophobicContact CG-CZ 4.18Å; Y173-F193 AromaticContact CZ-CZ 3.95Å; L179-F193 HydrophobicContact CD1-CD2 3.79Å; L179-F193 HydrophobicContact CD1-CE2 3.64Å; L179-F193 HydrophobicContact CD1-CZ 4.26Å; S189-F193 WeakPolarHBondContact O-CD2 3.48Å; S189-F193 WeakPolarHBondContact O-CE2 3.35Å; L190-F193 PolarHBondContact O-N 2.82Å; F193-R195 PolarHBondContact O-N 2.92Å
194S92.2Very high89.2Confident25 Ų2552.4 Ų52.418%0.17528%0.275CS..SBendtrans-90.590.9-179.9-55.70000110L190 I246 H247L190-S194 VanDerWaalsContact O-CB 3.26Å; L190-S194 WeakPolarHBondContact O-CB 3.5Å; L190-S194 PolarHBondContact O-N 3.04Å; L190-S194 PolarHBondContact O-OG 3.31Å; S194-I246 VanDerWaalsContact CB-CD1 3.45Å; S194-I246 WeakPolarHBondContact OG-CD1 3.45Å; S194-H247 PolarHBondContact O-CD2 2.54Å; S194-H247 PolarHBondContact O-NE2 3.44Å
195R95.5Very high90Very high6 Ų650.6 Ų50.62%0.02327%0.268CS..  trans-109.7152.8-173.5-52.3178.378.881.8-2.7111.1N162 D165 S192 F193 Y197 F210N162-R195 PolarHBondContact OD1-NH2 2.85Å; D165-R195 IonicContact OD1-NE 3.37Å; D165-R195 PolarHBondContact OD1-NE 3.41Å; D165-R195 IonicContact OD2-CZ 3.56Å; D165-R195 VanDerWaalsContact OD2-CZ 3.23Å; D165-R195 IonicContact OD2-NE 3.43Å; D165-R195 PolarHBondContact OD2-NE 3.19Å; D165-R195 IonicContact OD2-NH2 3.55Å; D165-R195 PolarHBondContact OD2-NH2 3.16Å; S192-R195 WeakPolarHBondContact O-CD 3.17Å; S192-R195 WeakPolarHBondContact O-CG 3.11Å; S192-R195 PolarHBondContact O-NH1 3.32Å; F193-R195 PolarHBondContact O-N 2.92Å; R195-Y197 WeakPolarHBondContact O-CD1 3.13Å; R195-F210 HydrophobicContact CB-CD1 3.81Å; R195-F210 HydrophobicContact CB-CE1 4.04Å; R195-F210 HydrophobicContact CB-CG 4.27Å; R195-F210 HydrophobicContact CG-CD1 3.89Å; R195-F210 HydrophobicContact CG-CE1 4.06Å; R195-F210 PolarHBondContact NH2-O 3.09Å
196T97.4Very high91Very high2 Ų251 Ų511%0.01227%0.27CS..  trans-77.5130164.3-60.40000109.5F217 I240 F241 V242 Y248T196-F217 HydrophobicContact CG2-CB 3.71Å; T196-F217 HydrophobicContact CG2-CD1 3.52Å; T196-F217 HydrophobicContact CG2-CD2 3.58Å; T196-F217 HydrophobicContact CG2-CE1 3.92Å; T196-F217 HydrophobicContact CG2-CE2 3.97Å; T196-F217 HydrophobicContact CG2-CG 3.31Å; T196-F217 HydrophobicContact CG2-CZ 4.1Å; T196-F217 VanDerWaalsContact O-CD2 3.29Å; T196-F217 WeakPolarHBondContact O-CD2 3.48Å; T196-F217 VanDerWaalsContact O-CE2 3.27Å; T196-F217 WeakPolarHBondContact O-CE2 3.28Å; T196-I240 HydrophobicContact CG2-CG2 3.72Å; T196-F241 VanDerWaalsContact CA-O 3.27Å; T196-F241 WeakPolarHBondContact CA-O 3.46Å; T196-F241 WeakPolarHBondContact CG2-O 3.48Å; T196-V242 HydrophobicContact CG2-CG2 4.11Å; T196-Y248 WeakPolarHBondContact OG1-CE2 3.36Å; T196-Y248 PolarHBondContact OG1-OH 3.03Å
197Y97.1Very high92.1Very high97 Ų9747.6 Ų47.638%0.3825%0.254SS..EExtended strand (participates in β ladder)trans-153.2153.3179.870.8-83.8000112.2R195 Q199 F241R195-Y197 WeakPolarHBondContact O-CD1 3.13Å; Y197-Q199 HydrophobicContact CD2-CG 4.37Å; Y197-Q199 HydrophobicContact CE2-CG 3.65Å; Y197-Q199 PolarHBondContact OH-NE2 3.03Å; Y197-F241 HydrophobicContact CD1-CB 4.08Å; Y197-F241 AromaticContact CD1-CD1 3.88Å; Y197-F241 HydrophobicContact CD1-CD1 3.88Å; Y197-F241 HydrophobicContact CD1-CG 4.39Å; Y197-F241 HydrophobicContact CE1-CB 3.69Å; Y197-F241 AromaticContact CE1-CD1 3.4Å; Y197-F241 HydrophobicContact CE1-CD1 3.4Å; Y197-F241 VanDerWaalsContact CE1-CD1 3.4Å; Y197-F241 HydrophobicContact CE1-CE1 4.27Å; Y197-F241 AromaticContact CE1-CG 3.77Å; Y197-F241 HydrophobicContact CE1-CG 3.77Å; Y197-F241 PolarHBondContact N-O 2.73Å; Y197-F241 VanDerWaalsContact N-O 3.14Å; Y197-F241 PolarHBondContact O-N 3.28Å
198P97.1Very high93Very high23 Ų2346 Ų4615%0.14925%0.245CC..EExtended strand (participates in β ladder)trans-75.5123172.231.6-31000110.2L208 Y219 E239P198-L208 HydrophobicContact CG-CD1 3.8Å; P198-Y219 HydrophobicContact CB-CD1 4.1Å; P198-Y219 HydrophobicContact CB-CE1 3.66Å; P198-Y219 HydrophobicContact CG-CD1 4.19Å; P198-Y219 HydrophobicContact CG-CD2 4.09Å; P198-Y219 HydrophobicContact CG-CE1 3.85Å; P198-Y219 HydrophobicContact CG-CE2 3.81Å; P198-Y219 HydrophobicContact CG-CG 4.29Å; P198-E239 CarbonylContact C-O 3.58Å; P198-E239 VanDerWaalsContact CA-O 3.3Å; P198-E239 WeakPolarHBondContact CA-O 3.07Å
199Q95.4Very high93.8Very high90 Ų9048.5 Ų48.542%0.42125%0.25SS..EExtended strand (participates in β ladder)trans-78.8-33.4171.8-69-169-29.400111.9Y197 E239 F241 L272Y197-Q199 HydrophobicContact CD2-CG 4.37Å; Y197-Q199 HydrophobicContact CE2-CG 3.65Å; Y197-Q199 PolarHBondContact OH-NE2 3.03Å; Q199-E239 HydrophobicContact CB-CB 4.4Å; Q199-E239 PolarHBondContact N-O 3.18Å; Q199-F241 HydrophobicContact CG-CB 4Å; Q199-L272 VanDerWaalsContact OE1-CD2 3.31Å
200S95Very high94.5Very high56 Ų5648.1 Ų48.139%0.39225%0.247SC..EExtended strand (participates in β ladder)trans-146.9150.6178.5-178.20000110.4A238 E239S200-A238 WeakPolarHBondContact O-CA 3.2Å; S200-E239 PolarHBondContact N-O 2.87Å; S200-E239 PolarHBondContact O-N 3Å
201T95Very high95Very high31 Ų3150 Ų5019%0.1926%0.258CS..EExtended strand (participates in β ladder)trans-147.7130.3177.4-61.40000110.5G203 Y219 F221 V237T201-G203 PolarHBondContact O-N 3.18Å; T201-Y219 WeakPolarHBondContact CB-OH 3.44Å; T201-Y219 HydrophobicContact CG2-CE1 4.22Å; T201-Y219 VanDerWaalsContact CG2-OH 3.27Å; T201-Y219 WeakPolarHBondContact CG2-OH 3.49Å; T201-Y219 WeakPolarHBondContact OG1-CE1 3.49Å; T201-Y219 PolarHBondContact OG1-OH 3.32Å; T201-F221 HydrophobicContact CG2-CB 3.8Å; T201-F221 HydrophobicContact CG2-CD1 3.81Å; T201-F221 HydrophobicContact CG2-CD2 3.45Å; T201-F221 VanDerWaalsContact CG2-CD2 3.45Å; T201-F221 HydrophobicContact CG2-CE1 4.22Å; T201-F221 HydrophobicContact CG2-CE2 3.89Å; T201-F221 HydrophobicContact CG2-CG 3.4Å; T201-F221 VanDerWaalsContact CG2-CG 3.4Å; T201-F221 HydrophobicContact CG2-CZ 4.25Å; T201-V237 WeakPolarHBondContact CA-O 3.48Å
202A91.9Very high95.2Very high36 Ų3646.4 Ų46.430%0.29824%0.243SC..SBendtrans-81.453.617400000111.5T224 V237A202-T224 PolarHBondContact O-N 3.16Å; A202-V237 PolarHBondContact N-O 2.74Å
203G92.2Very high95.2Very high13 Ų1353.1 Ų53.113%0.13428%0.279CS..EExtended strand (participates in β ladder)trans179.7176.4-166.400000113.5T201 P205 V222 T224T201-G203 PolarHBondContact O-N 3.18Å; G203-P205 WeakPolarHBondContact O-CD 3.17Å; G203-V222 CarbonylContact C-O 3.49Å; G203-V222 WeakPolarHBondContact CA-O 3.03Å; G203-T224 VanDerWaalsContact CA-OG1 3.22Å; G203-T224 WeakPolarHBondContact CA-OG1 3.17Å; G203-T224 PolarHBondContact N-OG1 3.17Å
204Q93.3Very high95.4Very high135 Ų13555.3 Ų55.363%0.63130%0.297SS*.EExtended strand (participates in β ladder)trans-93116.1172.1-176.859.13100109.9F221 V222Q204-F221 CarbonylContact O-C 3.54Å; Q204-F221 WeakPolarHBondContact O-CA 2.93Å; Q204-F221 WeakPolarHBondContact O-CB 3.43Å; Q204-V222 PolarHBondContact N-O 2.79Å; Q204-V222 PolarHBondContact O-N 3.38Å
205P95.7Very high95.5Very high38 Ų3854.3 Ų54.325%0.24729%0.29CS..EExtended strand (participates in β ladder)trans-58.5138.4173.8-22.132.7000111.9F168 G203 Y219F168-P205 HydrophobicContact CD1-CB 3.7Å; F168-P205 HydrophobicContact CD1-CG 4.46Å; F168-P205 HydrophobicContact CD2-CB 4.29Å; F168-P205 HydrophobicContact CE1-CB 3.31Å; F168-P205 HydrophobicContact CE1-CG 4.42Å; F168-P205 HydrophobicContact CE2-CB 3.96Å; F168-P205 HydrophobicContact CG-CB 4.16Å; F168-P205 HydrophobicContact CZ-CB 3.44Å; F168-P205 VanDerWaalsContact CZ-CB 3.44Å; G203-P205 WeakPolarHBondContact O-CD 3.17Å; P205-Y219 HydrophobicContact CB-CE2 4.09Å
206V96.6Very high95.6Very high91 Ų9157.5 Ų57.555%0.55231%0.31SS*.EExtended strand (participates in β ladder)trans-118-47.4-179.2177.20000111.3A220 V222V206-A220 PolarHBondContact N-O 3.25Å; V206-V222 HydrophobicContact CG2-CG2 3.76Å
207Q97.7Very high95.6Very high97 Ų9759.7 Ų59.745%0.45332%0.32SS..EExtended strand (participates in β ladder)trans-145.8138.3-178.9-172.8177.19.600111.4Y218 Y219 A220Q207-Y218 HydrophobicContact CB-CE1 4.02Å; Q207-Y218 HydrophobicContact CG-CD1 4.13Å; Q207-Y218 HydrophobicContact CG-CE1 3.81Å; Q207-Y219 WeakPolarHBondContact O-CA 3.38Å; Q207-Y219 WeakPolarHBondContact O-CD2 3.4Å; Q207-A220 HydrophobicContact CB-CB 4.4Å; Q207-A220 PolarHBondContact N-O 3.48Å; Q207-A220 VanDerWaalsContact N-O 3.13Å; Q207-A220 PolarHBondContact O-N 3.32Å
208L97.8Very high95.6Very high11 Ų1160.1 Ų60.16%0.05832%0.321CS..EExtended strand (participates in β ladder)trans-138.2136.5173-175.2153.6000109.2D165 F168 P198 F217 Y218 Y219D165-L208 HydrophobicContact CB-CD2 3.33Å; F168-L208 HydrophobicContact CD1-CB 4.15Å; F168-L208 HydrophobicContact CD1-CD1 4.26Å; F168-L208 HydrophobicContact CE1-CB 3.46Å; F168-L208 VanDerWaalsContact CE1-CB 3.46Å; F168-L208 HydrophobicContact CE1-CD1 4.09Å; F168-L208 HydrophobicContact CE1-CG 4.44Å; F168-L208 HydrophobicContact CZ-CB 3.93Å; P198-L208 HydrophobicContact CG-CD1 3.8Å; L208-F217 HydrophobicContact CD1-CE2 4.4Å; L208-F217 HydrophobicContact CG-CE2 4.22Å; L208-Y218 WeakPolarHBondContact CA-O 3.32Å; L208-Y219 HydrophobicContact CB-CD2 4.21Å; L208-Y219 HydrophobicContact CD1-CD2 4.25Å; L208-Y219 HydrophobicContact CG-CD2 4.47Å
209R97.7Very high95.7Very high127 Ų12760.6 Ų60.648%0.47932%0.321SS..EExtended strand (participates in β ladder)trans-147.9133.4174.8-174.8178.272.1115.31.8109.2Y218R209-Y218 PolarHBondContact N-O 2.9Å; R209-Y218 PolarHBondContact O-N 3.13Å
210F97.8Very high95.7Very high3 Ų357.5 Ų57.51%0.01331%0.31CS..EExtended strand (participates in β ladder)trans-126.2132.4168.7179.4-106.1000109D165 R195 V212 F217 H247D165-F210 WeakPolarHBondContact OD2-CB 3.24Å; R195-F210 HydrophobicContact CB-CD1 3.81Å; R195-F210 HydrophobicContact CB-CE1 4.04Å; R195-F210 HydrophobicContact CB-CG 4.27Å; R195-F210 HydrophobicContact CG-CD1 3.89Å; R195-F210 HydrophobicContact CG-CE1 4.06Å; R195-F210 PolarHBondContact NH2-O 3.09Å; F210-V212 HydrophobicContact CE1-CB 4.34Å; F210-F217 HydrophobicContact CD2-CB 4.16Å; F210-H247 AromaticContact CE1-NE2 3.91Å; F210-H247 AromaticContact CZ-CD2 3.7Å; F210-H247 AromaticContact CZ-CE1 3.78Å; F210-H247 AromaticContact CZ-CG 3.84Å; F210-H247 AromaticContact CZ-ND1 3.92Å; F210-H247 AromaticContact CZ-NE2 3.64Å
211D96.5Very high95.7Very high52 Ų5257.1 Ų57.128%0.27830%0.302SS..  trans-105.2112.7176.9-176.5-59.8000108.3D213 S214 G215 V216D211-D213 VanDerWaalsContact C-N 3.29Å; D211-D213 PolarHBondContact O-N 3.45Å; D211-D213 PolarHBondContact OD1-N 2.91Å; D211-S214 WeakPolarHBondContact CB-OG 3.12Å; D211-S214 PolarHBondContact OD1-N 3.03Å; D211-S214 PolarHBondContact OD1-OG 2.87Å; D211-G215 WeakPolarHBondContact O-CA 3.4Å; D211-G215 PolarHBondContact O-N 3.01Å; D211-V216 HydrophobicContact CB-CB 4.38Å; D211-V216 PolarHBondContact N-O 3.15Å; D211-V216 PolarHBondContact O-N 3.28Å
212V93.7Very high95.5Very high14 Ų1459.4 Ų59.49%0.08532%0.315CS..THydrogen-bonded Turntrans-69.3-27-172.467.40000113.1K191 F210 H247K191-V212 HydrophobicContact CB-CG2 4.12Å; K191-V212 WeakPolarHBondContact O-CG2 3.46Å; F210-V212 HydrophobicContact CE1-CB 4.34Å; V212-H247 PolarHBondContact O-CE1 3.16Å
213D92Very high95.3Very high145 Ų14560 Ų6078%0.77532%0.316SS*.THydrogen-bonded Turntrans-82.6-40.3-175.4-63.2-40000111.1D211D211-D213 VanDerWaalsContact C-N 3.29Å; D211-D213 PolarHBondContact O-N 3.45Å; D211-D213 PolarHBondContact OD1-N 2.91Å
214S94.7Very high94.7Very high70 Ų7064.9 Ų64.949%0.4934%0.344SS..THydrogen-bonded Turntrans-96.5-14.2-179.163.30000114.3D211 V216D211-S214 WeakPolarHBondContact CB-OG 3.12Å; D211-S214 PolarHBondContact OD1-N 3.03Å; D211-S214 PolarHBondContact OD1-OG 2.87Å; S214-V216 PolarHBondContact O-N 3.03Å; S214-V216 WeakPolarHBondContact OG-CG2 3.19Å; S214-V216 PolarHBondContact OG-N 3.23Å
215G95Very high93.6Very high4 Ų462.9 Ų62.94%0.04133%0.334CS..  trans68.310.7-170.200000113.3D211 F217 Y248D211-G215 WeakPolarHBondContact O-CA 3.4Å; D211-G215 PolarHBondContact O-N 3.01Å; G215-F217 PolarHBondContact O-N 2.83Å; G215-Y248 WeakPolarHBondContact O-CE1 3.24Å; G215-Y248 PolarHBondContact O-OH 3.08Å
216V97.6Very high92Very high73 Ų7369 Ų6944%0.44236%0.357SS..  trans-73.5115-177.7174.90000110.3D211 S214D211-V216 HydrophobicContact CB-CB 4.38Å; D211-V216 PolarHBondContact N-O 3.15Å; D211-V216 PolarHBondContact O-N 3.28Å; S214-V216 PolarHBondContact O-N 3.03Å; S214-V216 WeakPolarHBondContact OG-CG2 3.19Å; S214-V216 PolarHBondContact OG-N 3.23Å
217F97.9Very high90.1Very high47 Ų4769.1 Ų69.121%0.20635%0.354CS..EExtended strand (participates in β ladder)trans-99.3136172.4174.7-109.2000111.8T196 L208 F210 G215 Y219 I240T196-F217 HydrophobicContact CG2-CB 3.71Å; T196-F217 HydrophobicContact CG2-CD1 3.52Å; T196-F217 HydrophobicContact CG2-CD2 3.58Å; T196-F217 HydrophobicContact CG2-CE1 3.92Å; T196-F217 HydrophobicContact CG2-CE2 3.97Å; T196-F217 HydrophobicContact CG2-CG 3.31Å; T196-F217 HydrophobicContact CG2-CZ 4.1Å; T196-F217 VanDerWaalsContact O-CD2 3.29Å; T196-F217 WeakPolarHBondContact O-CD2 3.48Å; T196-F217 VanDerWaalsContact O-CE2 3.27Å; T196-F217 WeakPolarHBondContact O-CE2 3.28Å; L208-F217 HydrophobicContact CD1-CE2 4.4Å; L208-F217 HydrophobicContact CG-CE2 4.22Å; F210-F217 HydrophobicContact CD2-CB 4.16Å; G215-F217 PolarHBondContact O-N 2.83Å; F217-Y219 HydrophobicContact CZ-CG 4.08Å; F217-I240 HydrophobicContact CE1-CD1 4.21Å; F217-I240 HydrophobicContact CE1-CG2 4Å; F217-I240 HydrophobicContact CZ-CG2 4.3Å
218Y97.8Very high88Confident106 Ų10665.4 Ų65.442%0.41634%0.339SS..EExtended strand (participates in β ladder)trans-131.2132.3171.3175.8-88.7000110.2Q207 L208 R209 A220Q207-Y218 HydrophobicContact CB-CE1 4.02Å; Q207-Y218 HydrophobicContact CG-CD1 4.13Å; Q207-Y218 HydrophobicContact CG-CE1 3.81Å; L208-Y218 WeakPolarHBondContact CA-O 3.32Å; R209-Y218 PolarHBondContact N-O 2.9Å; R209-Y218 PolarHBondContact O-N 3.13Å; Y218-A220 HydrophobicContact CE1-CB 3.99Å
219Y98Very high85.8Confident34 Ų3471.4 Ų71.413%0.13338%0.376CS..EExtended strand (participates in β ladder)trans-142.6135.6177.2-179.6-129.6000111.8F168 P198 T201 P205 Q207 L208 F217 F221F168-Y219 HydrophobicContact CE1-CD2 4.41Å; F168-Y219 AromaticContact CE1-CE2 3.89Å; F168-Y219 HydrophobicContact CE1-CE2 3.89Å; P198-Y219 HydrophobicContact CB-CD1 4.1Å; P198-Y219 HydrophobicContact CB-CE1 3.66Å; P198-Y219 HydrophobicContact CG-CD1 4.19Å; P198-Y219 HydrophobicContact CG-CD2 4.09Å; P198-Y219 HydrophobicContact CG-CE1 3.85Å; P198-Y219 HydrophobicContact CG-CE2 3.81Å; P198-Y219 HydrophobicContact CG-CG 4.29Å; T201-Y219 WeakPolarHBondContact CB-OH 3.44Å; T201-Y219 HydrophobicContact CG2-CE1 4.22Å; T201-Y219 VanDerWaalsContact CG2-OH 3.27Å; T201-Y219 WeakPolarHBondContact CG2-OH 3.49Å; T201-Y219 WeakPolarHBondContact OG1-CE1 3.49Å; T201-Y219 PolarHBondContact OG1-OH 3.32Å; P205-Y219 HydrophobicContact CB-CE2 4.09Å; Q207-Y219 WeakPolarHBondContact O-CA 3.38Å; Q207-Y219 WeakPolarHBondContact O-CD2 3.4Å; L208-Y219 HydrophobicContact CB-CD2 4.21Å; L208-Y219 HydrophobicContact CD1-CD2 4.25Å; L208-Y219 HydrophobicContact CG-CD2 4.47Å; F217-Y219 HydrophobicContact CZ-CG 4.08Å; Y219-F221 AromaticContact CD1-CD1 3.91Å; Y219-F221 HydrophobicContact CD1-CD1 3.91Å; Y219-F221 HydrophobicContact CD1-CE1 4.32Å; Y219-F221 HydrophobicContact CE1-CB 4.48Å; Y219-F221 AromaticContact CE1-CD1 3.4Å; Y219-F221 HydrophobicContact CE1-CD1 3.4Å; Y219-F221 VanDerWaalsContact CE1-CD1 3.4Å; Y219-F221 AromaticContact CE1-CE1 3.97Å; Y219-F221 HydrophobicContact CE1-CE1 3.97Å; Y219-F221 HydrophobicContact CE1-CG 4.26Å; Y219-F221 AromaticContact CZ-CD1 3.86Å
220A96.7Very high83.6Confident25 Ų2570 Ų7021%0.20738%0.379CS..EExtended strand (participates in β ladder)trans-138.2139176.600000110.6V206 Q207 Y218V206-A220 PolarHBondContact N-O 3.25Å; Q207-A220 HydrophobicContact CB-CB 4.4Å; Q207-A220 PolarHBondContact N-O 3.48Å; Q207-A220 VanDerWaalsContact N-O 3.13Å; Q207-A220 PolarHBondContact O-N 3.32Å; Y218-A220 HydrophobicContact CE1-CB 3.99Å
221F94.9Very high81.3Confident47 Ų4774.4 Ų74.421%0.20641%0.405CS..EExtended strand (participates in β ladder)trans-145.8157.7178.962.5-87.2000110.6T201 Q204 Y219 P223 V237 A238T201-F221 HydrophobicContact CG2-CB 3.8Å; T201-F221 HydrophobicContact CG2-CD1 3.81Å; T201-F221 HydrophobicContact CG2-CD2 3.45Å; T201-F221 VanDerWaalsContact CG2-CD2 3.45Å; T201-F221 HydrophobicContact CG2-CE1 4.22Å; T201-F221 HydrophobicContact CG2-CE2 3.89Å; T201-F221 HydrophobicContact CG2-CG 3.4Å; T201-F221 VanDerWaalsContact CG2-CG 3.4Å; T201-F221 HydrophobicContact CG2-CZ 4.25Å; Q204-F221 CarbonylContact O-C 3.54Å; Q204-F221 WeakPolarHBondContact O-CA 2.93Å; Q204-F221 WeakPolarHBondContact O-CB 3.43Å; Y219-F221 AromaticContact CD1-CD1 3.91Å; Y219-F221 HydrophobicContact CD1-CD1 3.91Å; Y219-F221 HydrophobicContact CD1-CE1 4.32Å; Y219-F221 HydrophobicContact CE1-CB 4.48Å; Y219-F221 AromaticContact CE1-CD1 3.4Å; Y219-F221 HydrophobicContact CE1-CD1 3.4Å; Y219-F221 VanDerWaalsContact CE1-CD1 3.4Å; Y219-F221 AromaticContact CE1-CE1 3.97Å; Y219-F221 HydrophobicContact CE1-CE1 3.97Å; Y219-F221 HydrophobicContact CE1-CG 4.26Å; Y219-F221 AromaticContact CZ-CD1 3.86Å; F221-P223 HydrophobicContact CD2-CG 4.45Å; F221-P223 HydrophobicContact CE2-CG 4.18Å; F221-V237 HydrophobicContact CE2-CB 4.24Å; F221-V237 HydrophobicContact CZ-CB 3.93Å; F221-V237 HydrophobicContact CZ-CG2 4.03Å; F221-A238 HydrophobicContact CE1-CB 4.27Å; F221-A238 HydrophobicContact CZ-CB 4.48Å
222V90.4Very high79.1Confident79 Ų7979.4 Ų79.448%0.47943%0.432SS..EExtended strand (participates in β ladder)trans-94118.4170.5178.60000108.3G203 Q204 V206 T224G203-V222 CarbonylContact C-O 3.49Å; G203-V222 WeakPolarHBondContact CA-O 3.03Å; Q204-V222 PolarHBondContact N-O 2.79Å; Q204-V222 PolarHBondContact O-N 3.38Å; V206-V222 HydrophobicContact CG2-CG2 3.76Å; V222-T224 PolarHBondContact O-N 3.03Å
223P86.6Confident77.6Confident48 Ų4880.8 Ų80.831%0.31244%0.442SS..EExtended strand (participates in β ladder)trans-59.6135.9177.7-23.633.3000112.2F221F221-P223 HydrophobicContact CD2-CG 4.45Å; F221-P223 HydrophobicContact CE2-CG 4.18Å
224T80.9Confident76.7Confident117 Ų11777.9 Ų77.972%0.71843%0.43SS*.SBendtrans-73.5-40.5175.1-480000110.3A202 G203 V222A202-T224 PolarHBondContact O-N 3.16Å; G203-T224 VanDerWaalsContact CA-OG1 3.22Å; G203-T224 WeakPolarHBondContact CA-OG1 3.17Å; G203-T224 PolarHBondContact N-OG1 3.17Å; V222-T224 PolarHBondContact O-N 3.03Å
225Q69.5Low76.1Confident92 Ų9276.4 Ų76.443%0.4342%0.416SS..  trans-98.8115.5175.5-174.3168.66.800109.4N227 L235Q225-N227 WeakPolarHBondContact CG-O 3.36Å; Q225-N227 PolarHBondContact NE2-O 3.19Å; Q225-L235 HydrophobicContact CB-CD2 4.37Å
226K63.5Low75.8Confident168 Ų16879 Ų7973%0.7343%0.429SS*.  trans-88.6-22.2176.5-63.3-176.1179.8-1790112.9
227N55Low75.5Confident92 Ų9275.8 Ų75.849%0.49241%0.41SS..  trans-128.3124.4-172.2-60.7-5000110.3Q225Q225-N227 WeakPolarHBondContact CG-O 3.36Å; Q225-N227 PolarHBondContact NE2-O 3.19Å
228C54.4Low75.3Confident19 Ų1973.7 Ų73.713%0.12840%0.401CS..  trans-89.1141.7164.2-56.80000109.6Y279C228-Y279 HydrophobicContact CB-CD2 3.77Å; C228-Y279 HydrophobicContact CB-CE2 4.36Å; C228-Y279 WeakPolarHBondContact O-CE2 3.45Å
229T51.4Low75.3Confident137 Ų13771.4 Ų71.484%0.8439%0.394SS*.SBendtrans-94.4-13.8-179.447.50000113.5
230N51.8Low75.3Confident99 Ų9970.7 Ų70.753%0.52939%0.392SS..  trans-111.6122-175.5-166.1-6.7000111.3N232 S233N230-N232 PolarHBondContact O-N 3.07Å; N230-S233 PolarHBondContact O-N 3.37Å; N230-S233 PolarHBondContact O-OG 3.43Å
231V48.9Very low75.3Confident95 Ų9572 Ų7258%0.57639%0.393SS*.THydrogen-bonded Turntrans-65.5-24.9-169.5-174.40000112.8Y279V231-Y279 HydrophobicContact CB-CD1 4.36Å; V231-Y279 HydrophobicContact CB-CE1 4.11Å; V231-Y279 HydrophobicContact CG1-CD1 4.22Å; V231-Y279 HydrophobicContact CG1-CE1 4.03Å; V231-Y279 HydrophobicContact CG2-CE1 4.02Å
232N50.7Low75.4Confident157 Ų15769.9 Ų69.984%0.8438%0.384SS*.THydrogen-bonded Turntrans-104.912.2-177.1-71.6-12.5000114.2N230N230-N232 PolarHBondContact O-N 3.07Å
233S61.5Low75.5Confident43 Ų4366.3 Ų66.330%0.30136%0.363SS..  trans-107.2128.4-178.260.30000112.6N230N230-S233 PolarHBondContact O-N 3.37Å; N230-S233 PolarHBondContact O-OG 3.43Å
234T73.5Confident75.8Confident83 Ų8366 Ų6651%0.50936%0.357SS..PPolyproline II helixtrans-76.4137.1156.6470000108.6
235L82.3Confident76.3Confident39 Ų3963.8 Ų63.820%0.20435%0.347CS..EExtended strand (participates in β ladder)trans-95.1122.8174.3-179.165.4000109Q225 V237 Y276 M277Q225-L235 HydrophobicContact CB-CD2 4.37Å; L235-V237 HydrophobicContact CB-CG1 4.48Å; L235-V237 HydrophobicContact CD2-CG1 4.1Å; L235-V237 HydrophobicContact CG-CG1 4.09Å; L235-V237 PolarHBondContact O-N 2.73Å; L235-Y276 CarbonylContact O-C 3.58Å; L235-Y276 VanDerWaalsContact O-CA 3.26Å; L235-Y276 WeakPolarHBondContact O-CA 3.27Å; L235-M277 PolarHBondContact N-O 2.95Å; L235-M277 PolarHBondContact O-N 3.47Å
236L88.8Confident77.3Confident60 Ų6060.9 Ų60.931%0.31433%0.334SS..EExtended strand (participates in β ladder)trans-67117.2167.8178.263.3000108.9E239 F274 Y276L236-E239 HydrophobicContact CD1-CG 4.48Å; L236-E239 HydrophobicContact CD2-CG 4.05Å; L236-F274 HydrophobicContact CD1-CB 3.83Å; L236-F274 HydrophobicContact CD1-CD1 3.71Å; L236-F274 HydrophobicContact CD1-CG 4.25Å; L236-F274 HydrophobicContact CD2-CD1 4.06Å; L236-F274 HydrophobicContact CD2-CE1 4.46Å; L236-Y276 HydrophobicContact CB-CD1 4.15Å; L236-Y276 HydrophobicContact CB-CE1 3.91Å; L236-Y276 HydrophobicContact CD1-CD1 4.32Å; L236-Y276 HydrophobicContact CD1-CE1 3.91Å; L236-Y276 HydrophobicContact CG-CE1 4.49Å
237V91.2Very high78.8Confident5 Ų554.2 Ų54.23%0.0331%0.305CS..EExtended strand (participates in β ladder)trans-109-24.9-176.6-66.50000113.8T201 A202 F221 L235 V275 M277T201-V237 WeakPolarHBondContact CA-O 3.48Å; A202-V237 PolarHBondContact N-O 2.74Å; F221-V237 HydrophobicContact CE2-CB 4.24Å; F221-V237 HydrophobicContact CZ-CB 3.93Å; F221-V237 HydrophobicContact CZ-CG2 4.03Å; L235-V237 HydrophobicContact CB-CG1 4.48Å; L235-V237 HydrophobicContact CD2-CG1 4.1Å; L235-V237 HydrophobicContact CG-CG1 4.09Å; L235-V237 PolarHBondContact O-N 2.73Å; V237-V275 HydrophobicContact CG2-CB 4.3Å; V237-V275 HydrophobicContact CG2-CG1 4.01Å; V237-V275 VanDerWaalsContact CG2-O 3.22Å; V237-V275 WeakPolarHBondContact CG2-O 3.29Å; V237-V275 PolarHBondContact N-O 3.4Å; V237-M277 HydrophobicContact CG1-CB 3.69Å
238A94.8Very high80.6Confident2 Ų251.5 Ų51.52%0.01729%0.288CS..EExtended strand (participates in β ladder)trans-153.4145.4174.500000112S200 F221 I240 V275S200-A238 WeakPolarHBondContact O-CA 3.2Å; F221-A238 HydrophobicContact CE1-CB 4.27Å; F221-A238 HydrophobicContact CZ-CB 4.48Å; A238-I240 HydrophobicContact CB-CG1 4.31Å; A238-V275 HydrophobicContact CB-CB 4.25Å; A238-V275 PolarHBondContact N-O 3.23Å; A238-V275 PolarHBondContact O-N 2.83Å
239E96.7Very high82.4Confident58 Ų5854.8 Ų54.827%0.27131%0.31SS..EExtended strand (participates in β ladder)trans-112122.2168.4-58.5177.8-154.200107.2P198 Q199 S200 L236 F274P198-E239 CarbonylContact C-O 3.58Å; P198-E239 VanDerWaalsContact CA-O 3.3Å; P198-E239 WeakPolarHBondContact CA-O 3.07Å; Q199-E239 HydrophobicContact CB-CB 4.4Å; Q199-E239 PolarHBondContact N-O 3.18Å; S200-E239 PolarHBondContact N-O 2.87Å; S200-E239 PolarHBondContact O-N 3Å; L236-E239 HydrophobicContact CD1-CG 4.48Å; L236-E239 HydrophobicContact CD2-CG 4.05Å; E239-F274 HydrophobicContact CB-CD1 4.48Å; E239-F274 HydrophobicContact CB-CE1 4.44Å; E239-F274 HydrophobicContact CG-CD1 3.77Å; E239-F274 HydrophobicContact CG-CE1 3.72Å
240I97.4Very high84.3Confident20 Ų2057.3 Ų57.310%0.10331%0.312CS..EExtended strand (participates in β ladder)trans-121.8122.3-172.2-56.4174.5000108.9T196 F217 A238 V242 I273 V275T196-I240 HydrophobicContact CG2-CG2 3.72Å; F217-I240 HydrophobicContact CE1-CD1 4.21Å; F217-I240 HydrophobicContact CE1-CG2 4Å; F217-I240 HydrophobicContact CZ-CG2 4.3Å; A238-I240 HydrophobicContact CB-CG1 4.31Å; I240-V242 HydrophobicContact CG2-CG2 3.99Å; I240-I273 HydrophobicContact CB-CB 4.44Å; I240-I273 PolarHBondContact N-O 3.27Å; I240-I273 PolarHBondContact O-N 2.98Å; I240-V275 HydrophobicContact CD1-CG2 3.71Å; I240-V275 HydrophobicContact CG1-CG2 4.43Å
241F97.2Very high86.2Confident51 Ų5154.3 Ų54.322%0.22430%0.304CS..EExtended strand (participates in β ladder)trans-79.9129.7168.5177.9-98000110T196 Y197 Q199 P243 N271 L272T196-F241 VanDerWaalsContact CA-O 3.27Å; T196-F241 WeakPolarHBondContact CA-O 3.46Å; T196-F241 WeakPolarHBondContact CG2-O 3.48Å; Y197-F241 HydrophobicContact CD1-CB 4.08Å; Y197-F241 AromaticContact CD1-CD1 3.88Å; Y197-F241 HydrophobicContact CD1-CD1 3.88Å; Y197-F241 HydrophobicContact CD1-CG 4.39Å; Y197-F241 HydrophobicContact CE1-CB 3.69Å; Y197-F241 AromaticContact CE1-CD1 3.4Å; Y197-F241 HydrophobicContact CE1-CD1 3.4Å; Y197-F241 VanDerWaalsContact CE1-CD1 3.4Å; Y197-F241 HydrophobicContact CE1-CE1 4.27Å; Y197-F241 AromaticContact CE1-CG 3.77Å; Y197-F241 HydrophobicContact CE1-CG 3.77Å; Y197-F241 PolarHBondContact N-O 2.73Å; Y197-F241 VanDerWaalsContact N-O 3.14Å; Y197-F241 PolarHBondContact O-N 3.28Å; Q199-F241 HydrophobicContact CG-CB 4Å; F241-P243 HydrophobicContact CE1-CB 3.99Å; F241-P243 HydrophobicContact CE1-CG 4.38Å; F241-P243 HydrophobicContact CZ-CB 4.38Å; F241-N271 CarbonylContact C-O 2.85Å; F241-N271 WeakPolarHBondContact CA-O 3.34Å; F241-N271 HydrophobicContact CD2-CB 4.03Å; F241-N271 WeakPolarHBondContact CD2-O 3.49Å; F241-N271 HydrophobicContact CE2-CB 3.6Å; F241-N271 HydrophobicContact CZ-CB 4.29Å; F241-L272 HydrophobicContact CB-CD2 4.39Å; F241-L272 HydrophobicContact CD2-CD2 4.21Å
242V96.4Very high88.2Confident4 Ų451.5 Ų51.52%0.02429%0.287CS..  trans-129.6109.8-178.2-177.40000108.5T196 I240 M244 Y248 V252 N271 I273T196-V242 HydrophobicContact CG2-CG2 4.11Å; I240-V242 HydrophobicContact CG2-CG2 3.99Å; V242-M244 VanDerWaalsContact C-N 3.31Å; V242-M244 HydrophobicContact CG1-CG 4.42Å; V242-M244 HydrophobicContact CG1-SD 3.81Å; V242-M244 PolarHBondContact O-N 2.96Å; V242-Y248 HydrophobicContact CG1-CD2 3.38Å; V242-Y248 HydrophobicContact CG1-CE2 3.54Å; V242-Y248 HydrophobicContact CG1-CG 4Å; V242-V252 HydrophobicContact CG1-CG1 3.69Å; V242-N271 PolarHBondContact N-O 2.9Å; V242-N271 WeakPolarHBondContact O-CA 3.31Å; V242-N271 WeakPolarHBondContact O-CB 3.37Å; V242-N271 PolarHBondContact O-OD1 3.21Å; V242-N271 VanDerWaalsContact O-OD1 3.06Å; V242-I273 HydrophobicContact CG2-CB 4.43Å; V242-I273 HydrophobicContact CG2-CD1 3.68Å; V242-I273 HydrophobicContact CG2-CG1 3.88Å
243P94Very high90.2Very high4 Ų453 Ų533%0.02629%0.286CS..  trans-73.183.3178.830-35.6000111.1F241 S245 I246 H247F241-P243 HydrophobicContact CE1-CB 3.99Å; F241-P243 HydrophobicContact CE1-CG 4.38Å; F241-P243 HydrophobicContact CZ-CB 4.38Å; P243-S245 PolarHBondContact O-N 2.94Å; P243-I246 HydrophobicContact CB-CB 4.42Å; P243-I246 PolarHBondContact O-N 2.81Å; P243-H247 HydrophobicContact CG-CB 4.45Å; P243-H247 PolarHBondContact O-N 3.39Å
244M92.9Very high91.7Very high40 Ų4053.2 Ų53.220%0.19729%0.286CS..Hα-helixtrans-59.9-44.3-170.7-69.6-67.7-67.300112.4V242 I246 Y248 P249 V252 T270 N271V242-M244 VanDerWaalsContact C-N 3.31Å; V242-M244 HydrophobicContact CG1-CG 4.42Å; V242-M244 HydrophobicContact CG1-SD 3.81Å; V242-M244 PolarHBondContact O-N 2.96Å; M244-I246 VanDerWaalsContact C-N 3.26Å; M244-I246 PolarHBondContact O-N 2.92Å; M244-Y248 CarbonylContact O-C 3.55Å; M244-Y248 WeakPolarHBondContact O-CA 3.32Å; M244-Y248 PolarHBondContact O-N 3.31Å; M244-Y248 VanDerWaalsContact O-O 3.11Å; M244-P249 WeakPolarHBondContact O-CA 3.34Å; M244-V252 HydrophobicContact SD-CG1 4.03Å; M244-T270 WeakPolarHBondContact CG-O 3.48Å; M244-N271 PolarHBondContact N-OD1 3.28Å
245S90.6Very high92.6Very high72 Ų7260 Ų6050%0.50330%0.302SS..Hα-helixtrans-69-21.2-177.650.80000114.3P243P243-S245 PolarHBondContact O-N 2.94Å
246I91.3Very high93Very high31 Ų3160.5 Ų60.516%0.15930%0.303CS..Hα-helixtrans-102.9-48.1-171.4-61.5173.4000111.2L190 K191 S194 P243 M244L190-I246 HydrophobicContact CB-CD1 4.46Å; K191-I246 HydrophobicContact CG-CG2 4.08Å; S194-I246 VanDerWaalsContact CB-CD1 3.45Å; S194-I246 WeakPolarHBondContact OG-CD1 3.45Å; P243-I246 HydrophobicContact CB-CB 4.42Å; P243-I246 PolarHBondContact O-N 2.81Å; M244-I246 VanDerWaalsContact C-N 3.26Å; M244-I246 PolarHBondContact O-N 2.92Å
247H93.7Very high92.8Very high27 Ų2765.1 Ų65.113%0.12533%0.328CS..Hα-helixtrans-111.1-20.2-174.2-73-72.9000114.1K191 S194 F210 V212 P243 P249K191-H247 PolarHBondContact O-NE2 3.35Å; S194-H247 PolarHBondContact O-CD2 2.54Å; S194-H247 PolarHBondContact O-NE2 3.44Å; F210-H247 AromaticContact CE1-NE2 3.91Å; F210-H247 AromaticContact CZ-CD2 3.7Å; F210-H247 AromaticContact CZ-CE1 3.78Å; F210-H247 AromaticContact CZ-CG 3.84Å; F210-H247 AromaticContact CZ-ND1 3.92Å; F210-H247 AromaticContact CZ-NE2 3.64Å; V212-H247 PolarHBondContact O-CE1 3.16Å; P243-H247 HydrophobicContact CG-CB 4.45Å; P243-H247 PolarHBondContact O-N 3.39Å; H247-P249 VanDerWaalsContact C-CD 3.43Å
248Y93.9Very high92.3Very high35 Ų3567.3 Ų67.314%0.13734%0.342CS..  trans-132.750.3-174.1-49.2-91.3000113T196 G215 V242 M244 H250 G251 V252T196-Y248 WeakPolarHBondContact OG1-CE2 3.36Å; T196-Y248 PolarHBondContact OG1-OH 3.03Å; G215-Y248 WeakPolarHBondContact O-CE1 3.24Å; G215-Y248 PolarHBondContact O-OH 3.08Å; V242-Y248 HydrophobicContact CG1-CD2 3.38Å; V242-Y248 HydrophobicContact CG1-CE2 3.54Å; V242-Y248 HydrophobicContact CG1-CG 4Å; M244-Y248 CarbonylContact O-C 3.55Å; M244-Y248 WeakPolarHBondContact O-CA 3.32Å; M244-Y248 PolarHBondContact O-N 3.31Å; M244-Y248 VanDerWaalsContact O-O 3.11Å; Y248-H250 PolarHBondContact O-N 2.75Å; Y248-G251 PolarHBondContact O-N 2.74Å; Y248-V252 HydrophobicContact CD1-CG1 3.7Å; Y248-V252 HydrophobicContact CD2-CG1 4.48Å; Y248-V252 HydrophobicContact CE1-CG1 4.19Å; Y248-V252 HydrophobicContact CG-CG1 3.82Å
249P90.6Very high91.5Very high89 Ų8975.6 Ų75.658%0.57838%0.381SS*.THydrogen-bonded Turntrans-63.6-18.4-172.626.4-36.3000113.5M244 H247M244-P249 WeakPolarHBondContact O-CA 3.34Å; H247-P249 VanDerWaalsContact C-CD 3.43Å
250H91.3Very high90.5Very high190 Ų19075.3 Ų75.388%0.8838%0.379SS*.THydrogen-bonded Turntrans-106.212.8177.5-56.3-49.9000113.4Y248Y248-H250 PolarHBondContact O-N 2.75Å
251G92Very high89.9Confident36 Ų3675.4 Ų75.437%0.37138%0.38SS..  trans94.2174.7-175.900000114Y248Y248-G251 PolarHBondContact O-N 2.74Å
252V91.9Very high89.4Confident36 Ų3677.3 Ų77.322%0.21839%0.392CS..  trans-102143.7-178.8-66.50000111.5V242 M244 Y248 T254 I273V242-V252 HydrophobicContact CG1-CG1 3.69Å; M244-V252 HydrophobicContact SD-CG1 4.03Å; Y248-V252 HydrophobicContact CD1-CG1 3.7Å; Y248-V252 HydrophobicContact CD2-CG1 4.48Å; Y248-V252 HydrophobicContact CE1-CG1 4.19Å; Y248-V252 HydrophobicContact CG-CG1 3.82Å; V252-T254 HydrophobicContact CG2-CG2 4.16Å; V252-I273 HydrophobicContact CG1-CD1 4.39Å; V252-I273 HydrophobicContact CG2-CD1 3.79Å
253K93.4Very high89.2Confident187 Ų18781.1 Ų81.181%0.81341%0.407SS*.  trans-107.8116.1163.6-177.5174-176.3171.40108.8
254T92Very high89.1Confident49 Ų4986.5 Ų86.530%0.30143%0.431SS..  trans-99.2152.2-176.655.40000111.8V252 F256 Y263V252-T254 HydrophobicContact CG2-CG2 4.16Å; T254-F256 HydrophobicContact CG2-CE2 4.27Å; T254-F256 HydrophobicContact CG2-CZ 4.03Å; T254-F256 WeakPolarHBondContact OG1-CE2 3.46Å; T254-Y263 HydrophobicContact CG2-CD1 4.46Å; T254-Y263 HydrophobicContact CG2-CE1 4.07Å; T254-Y263 HydrophobicContact CG2-CE2 4.29Å; T254-Y263 WeakPolarHBondContact OG1-CE1 3.44Å
255R92.9Very high89Confident224 Ų22487.7 Ų87.785%0.84544%0.441SS*.  trans-137.6124.7166.8-66.4-173.4-173.5-174.42.2107.4
256F89.5Confident88.9Confident51 Ų5189 Ų8922%0.22444%0.436CS..  trans-111.9144179.3-61.4-73.5000111T254 P258 E259 L261 Y263 V275T254-F256 HydrophobicContact CG2-CE2 4.27Å; T254-F256 HydrophobicContact CG2-CZ 4.03Å; T254-F256 WeakPolarHBondContact OG1-CE2 3.46Å; F256-P258 CarbonylContact C-O 3.54Å; F256-P258 WeakPolarHBondContact CB-O 3.46Å; F256-E259 WeakPolarHBondContact O-CA 3.2Å; F256-L261 HydrophobicContact CB-CB 3.84Å; F256-L261 HydrophobicContact CB-CD1 4.21Å; F256-L261 HydrophobicContact CB-CG 4.39Å; F256-L261 HydrophobicContact CD1-CB 4.11Å; F256-L261 HydrophobicContact CD1-CD1 4.17Å; F256-L261 HydrophobicContact CG-CB 3.91Å; F256-Y263 AromaticContact CE2-CD1 3.35Å; F256-Y263 HydrophobicContact CE2-CD1 3.35Å; F256-Y263 AromaticContact CE2-CE1 3.95Å; F256-Y263 HydrophobicContact CE2-CE1 3.95Å; F256-Y263 HydrophobicContact CE2-CG 4.11Å; F256-Y263 AromaticContact CZ-CD1 3.59Å; F256-Y263 HydrophobicContact CZ-CD1 3.59Å; F256-Y263 HydrophobicContact CZ-CE1 4.39Å; F256-Y263 AromaticContact CZ-CG 3.86Å; F256-Y263 HydrophobicContact CZ-CG 3.86Å; F256-V275 HydrophobicContact CD1-CG1 4.24Å; F256-V275 HydrophobicContact CE1-CG1 3.87Å; F256-V275 HydrophobicContact CE1-CG2 4.04Å
257N84.6Confident88.5Confident157 Ų15796.4 Ų96.484%0.8447%0.47SS*.SBendtrans-134112.8165.9-177.75.7000107.2
258P81.5Confident88.1Confident51 Ų51101.4 Ų101.433%0.33150%0.497SS..SBendcis-65.4149426.3-32.8000113.5F256 Q260 L261F256-P258 CarbonylContact C-O 3.54Å; F256-P258 WeakPolarHBondContact CB-O 3.46Å; P258-Q260 PolarHBondContact O-N 3.4Å; P258-Q260 VanDerWaalsContact O-N 3.17Å; P258-L261 HydrophobicContact CG-CD2 4.29Å; P258-L261 HydrophobicContact CG-CG 4.1Å; P258-L261 WeakPolarHBondContact O-CG 3.5Å; P258-L261 PolarHBondContact O-N 2.98Å
259E77Confident87.9Confident176 Ų176102.4 Ų102.482%0.82251%0.505SS*.THydrogen-bonded Turntrans-63.9-19.8-178.3-70-174.9169.700113F256 L261F256-E259 WeakPolarHBondContact O-CA 3.2Å; E259-L261 PolarHBondContact O-N 3.31Å
260Q76.5Confident87.8Confident52 Ų52102.1 Ų102.124%0.24350%0.501CS..THydrogen-bonded Turntrans-72.2-10.6-179.8-59.888.9-20.700113.3P258 N262 P278 I280 Q328P258-Q260 PolarHBondContact O-N 3.4Å; P258-Q260 VanDerWaalsContact O-N 3.17Å; Q260-N262 PolarHBondContact O-N 3.26Å; Q260-P278 HydrophobicContact CB-CG 3.95Å; Q260-P278 WeakPolarHBondContact O-CD 3.21Å; Q260-P278 WeakPolarHBondContact O-CG 3.38Å; Q260-I280 HydrophobicContact CB-CD1 4.09Å; Q260-I280 HydrophobicContact CG-CD1 3.9Å; Q260-Q328 VanDerWaalsContact NE2-OE1 3.09Å
261L85.3Confident88Confident21 Ų2195 Ų9511%0.1147%0.47CS..  trans-63.5136.2175.2-60.2179.1000110.1F256 P258 E259 V275 Y276 M277F256-L261 HydrophobicContact CB-CB 3.84Å; F256-L261 HydrophobicContact CB-CD1 4.21Å; F256-L261 HydrophobicContact CB-CG 4.39Å; F256-L261 HydrophobicContact CD1-CB 4.11Å; F256-L261 HydrophobicContact CD1-CD1 4.17Å; F256-L261 HydrophobicContact CG-CB 3.91Å; P258-L261 HydrophobicContact CG-CD2 4.29Å; P258-L261 HydrophobicContact CG-CG 4.1Å; P258-L261 WeakPolarHBondContact O-CG 3.5Å; P258-L261 PolarHBondContact O-N 2.98Å; E259-L261 PolarHBondContact O-N 3.31Å; L261-V275 HydrophobicContact CB-CG1 4.27Å; L261-V275 HydrophobicContact CD1-CG1 4.24Å; L261-Y276 WeakPolarHBondContact CA-O 3.47Å; L261-M277 HydrophobicContact CD2-CB 3.8Å; L261-M277 HydrophobicContact CD2-CG 3.96Å
262N87.1Confident88.2Confident91 Ų9194.5 Ų94.549%0.48746%0.459SS..EExtended strand (participates in β ladder)trans-107.2161.4173.3-65.4-40.8000109.5Q260 Y276Q260-N262 PolarHBondContact O-N 3.26Å; N262-Y276 PolarHBondContact N-O 3.17Å; N262-Y276 PolarHBondContact O-N 2.95Å
263Y92.1Very high88.3Confident84 Ų8493.2 Ų93.233%0.32945%0.451SS..EExtended strand (participates in β ladder)trans-140.7154.9173.176-77.3000111.6T254 F256 V265 I273 F274T254-Y263 HydrophobicContact CG2-CD1 4.46Å; T254-Y263 HydrophobicContact CG2-CE1 4.07Å; T254-Y263 HydrophobicContact CG2-CE2 4.29Å; T254-Y263 WeakPolarHBondContact OG1-CE1 3.44Å; F256-Y263 AromaticContact CE2-CD1 3.35Å; F256-Y263 HydrophobicContact CE2-CD1 3.35Å; F256-Y263 AromaticContact CE2-CE1 3.95Å; F256-Y263 HydrophobicContact CE2-CE1 3.95Å; F256-Y263 HydrophobicContact CE2-CG 4.11Å; F256-Y263 AromaticContact CZ-CD1 3.59Å; F256-Y263 HydrophobicContact CZ-CD1 3.59Å; F256-Y263 HydrophobicContact CZ-CE1 4.39Å; F256-Y263 AromaticContact CZ-CG 3.86Å; F256-Y263 HydrophobicContact CZ-CG 3.86Å; Y263-V265 HydrophobicContact CE2-CG2 4.22Å; Y263-I273 HydrophobicContact CD2-CD1 4.46Å; Y263-I273 HydrophobicContact CD2-CG2 3.7Å; Y263-I273 HydrophobicContact CG-CG2 4.16Å; Y263-F274 CarbonylContact C-O 3.53Å; Y263-F274 WeakPolarHBondContact CA-O 3.23Å; Y263-F274 WeakPolarHBondContact CB-O 3.25Å
264E91.3Very high88.4Confident117 Ų11786 Ų8655%0.54742%0.419SS..EExtended strand (participates in β ladder)trans-128.3140174.1-62.7178.2-174.900108.7I273 F274 Y276E264-I273 WeakPolarHBondContact O-CA 3.39Å; E264-F274 PolarHBondContact N-O 3.42Å; E264-F274 PolarHBondContact O-N 3.04Å; E264-Y276 HydrophobicContact CB-CE2 4.12Å; E264-Y276 HydrophobicContact CG-CD2 4.41Å; E264-Y276 HydrophobicContact CG-CE2 3.95Å
265V90.8Very high88.5Confident66 Ų6683.9 Ų83.940%0.441%0.406SS..EExtended strand (participates in β ladder)trans-88129.4169.1-179.20000106.9Y263 E267 I273Y263-V265 HydrophobicContact CE2-CG2 4.22Å; V265-E267 PolarHBondContact O-N 2.77Å; V265-I273 HydrophobicContact CG2-CG1 4.31Å
266Y88.6Confident88.3Confident100 Ų10075.1 Ų75.139%0.39237%0.373SS..  trans-66.1124.9-177.1-169.2-141.6000111.3N268 N269 L272 F274Y266-N268 HydrophobicContact CD1-CB 4.15Å; Y266-N268 HydrophobicContact CE1-CB 3.7Å; Y266-N268 PolarHBondContact O-N 3.03Å; Y266-N268 PolarHBondContact OH-ND2 3.45Å; Y266-N269 HydrophobicContact CD1-CB 3.93Å; Y266-N269 CarbonylContact O-C 3.6Å; Y266-N269 PolarHBondContact O-N 2.93Å; Y266-N269 VanDerWaalsContact O-N 3.11Å; Y266-N269 VanDerWaalsContact O-O 3.13Å; Y266-L272 HydrophobicContact CD1-CD1 4.15Å; Y266-L272 PolarHBondContact N-O 2.81Å; Y266-F274 HydrophobicContact CD1-CE2 4.39Å; Y266-F274 AromaticContact CD2-CE2 3.67Å; Y266-F274 HydrophobicContact CD2-CE2 3.67Å; Y266-F274 HydrophobicContact CE2-CE2 4.48Å; Y266-F274 AromaticContact CG-CE2 3.63Å; Y266-F274 HydrophobicContact CG-CE2 3.63Å; Y266-F274 HydrophobicContact CG-CZ 4.42Å
267E82.9Confident87.9Confident186 Ų18674.7 Ų74.787%0.86937%0.373SS*.THydrogen-bonded Turntrans-57.6-37.6-175.7-63.5-175.7165.500112.8V265V265-E267 PolarHBondContact O-N 2.77Å
268N85.2Confident87.2Confident132 Ų13268.7 Ų68.771%0.70634%0.342SS*.THydrogen-bonded Turntrans-86-14.3-177.8-65.7-34.7000113.8Y266Y266-N268 HydrophobicContact CD1-CB 4.15Å; Y266-N268 HydrophobicContact CE1-CB 3.7Å; Y266-N268 PolarHBondContact O-N 3.03Å; Y266-N268 PolarHBondContact OH-ND2 3.45Å
269N88.9Confident86.2Confident56 Ų5669.4 Ų69.430%0.29934%0.339SS..  trans-150.1100.7176.8-174-5.1000109.9Y266 N271 L272Y266-N269 HydrophobicContact CD1-CB 3.93Å; Y266-N269 CarbonylContact O-C 3.6Å; Y266-N269 PolarHBondContact O-N 2.93Å; Y266-N269 VanDerWaalsContact O-N 3.11Å; Y266-N269 VanDerWaalsContact O-O 3.13Å; N269-N271 PolarHBondContact O-N 3.22Å; N269-N271 VanDerWaalsContact OD1-CB 3.3Å; N269-N271 WeakPolarHBondContact OD1-CB 3.35Å; N269-N271 PolarHBondContact OD1-N 2.86Å; N269-N271 PolarHBondContact OD1-ND2 3.11Å; N269-N271 VanDerWaalsContact OD1-ND2 3.13Å; N269-L272 HydrophobicContact CB-CD1 4.17Å; N269-L272 HydrophobicContact CB-CG 4.33Å; N269-L272 PolarHBondContact O-N 3Å
270T89.7Confident85Confident82 Ų8262.1 Ų62.150%0.50331%0.305SS..THydrogen-bonded Turntrans-62.8-12.9-179.554.40000113.8M244 L272M244-T270 WeakPolarHBondContact CG-O 3.48Å; T270-L272 VanDerWaalsContact C-N 3.25Å; T270-L272 PolarHBondContact O-N 2.98Å
271N94.6Very high83.6Confident40 Ų4061.7 Ų61.721%0.21431%0.311CS..THydrogen-bonded Turntrans-82.74.3173.5-54.5-67.2000113.6F241 V242 M244 N269F241-N271 CarbonylContact C-O 2.85Å; F241-N271 WeakPolarHBondContact CA-O 3.34Å; F241-N271 HydrophobicContact CD2-CB 4.03Å; F241-N271 WeakPolarHBondContact CD2-O 3.49Å; F241-N271 HydrophobicContact CE2-CB 3.6Å; F241-N271 HydrophobicContact CZ-CB 4.29Å; V242-N271 PolarHBondContact N-O 2.9Å; V242-N271 WeakPolarHBondContact O-CA 3.31Å; V242-N271 WeakPolarHBondContact O-CB 3.37Å; V242-N271 PolarHBondContact O-OD1 3.21Å; V242-N271 VanDerWaalsContact O-OD1 3.06Å; M244-N271 PolarHBondContact N-OD1 3.28Å; N269-N271 PolarHBondContact O-N 3.22Å; N269-N271 VanDerWaalsContact OD1-CB 3.3Å; N269-N271 WeakPolarHBondContact OD1-CB 3.35Å; N269-N271 PolarHBondContact OD1-N 2.86Å; N269-N271 PolarHBondContact OD1-ND2 3.11Å; N269-N271 VanDerWaalsContact OD1-ND2 3.13Å
272L96.2Very high81.8Confident26 Ų2660.9 Ų60.914%0.13631%0.307CS..EExtended strand (participates in β ladder)trans-116.8126.9177.3-66.5177.3000110.6Q199 F241 Y266 N269 T270Q199-L272 VanDerWaalsContact OE1-CD2 3.31Å; F241-L272 HydrophobicContact CB-CD2 4.39Å; F241-L272 HydrophobicContact CD2-CD2 4.21Å; Y266-L272 HydrophobicContact CD1-CD1 4.15Å; Y266-L272 PolarHBondContact N-O 2.81Å; N269-L272 HydrophobicContact CB-CD1 4.17Å; N269-L272 HydrophobicContact CB-CG 4.33Å; N269-L272 PolarHBondContact O-N 3Å; T270-L272 VanDerWaalsContact C-N 3.25Å; T270-L272 PolarHBondContact O-N 2.98Å
273I95.2Very high80.2Confident10 Ų1059.4 Ų59.45%0.05130%0.298CS..EExtended strand (participates in β ladder)trans-114.1125.3172.1-63.6-172.2000109I240 V242 V252 Y263 E264 V265 V275I240-I273 HydrophobicContact CB-CB 4.44Å; I240-I273 PolarHBondContact N-O 3.27Å; I240-I273 PolarHBondContact O-N 2.98Å; V242-I273 HydrophobicContact CG2-CB 4.43Å; V242-I273 HydrophobicContact CG2-CD1 3.68Å; V242-I273 HydrophobicContact CG2-CG1 3.88Å; V252-I273 HydrophobicContact CG1-CD1 4.39Å; V252-I273 HydrophobicContact CG2-CD1 3.79Å; Y263-I273 HydrophobicContact CD2-CD1 4.46Å; Y263-I273 HydrophobicContact CD2-CG2 3.7Å; Y263-I273 HydrophobicContact CG-CG2 4.16Å; E264-I273 WeakPolarHBondContact O-CA 3.39Å; V265-I273 HydrophobicContact CG2-CG1 4.31Å; I273-V275 HydrophobicContact CG2-CG2 4.21Å
274F95Very high78.8Confident34 Ų3458.5 Ų58.515%0.14930%0.298CS..EExtended strand (participates in β ladder)trans-97.2127.1171.4-66.2-77000109.4L236 E239 Y263 E264 Y266 Y276L236-F274 HydrophobicContact CD1-CB 3.83Å; L236-F274 HydrophobicContact CD1-CD1 3.71Å; L236-F274 HydrophobicContact CD1-CG 4.25Å; L236-F274 HydrophobicContact CD2-CD1 4.06Å; L236-F274 HydrophobicContact CD2-CE1 4.46Å; E239-F274 HydrophobicContact CB-CD1 4.48Å; E239-F274 HydrophobicContact CB-CE1 4.44Å; E239-F274 HydrophobicContact CG-CD1 3.77Å; E239-F274 HydrophobicContact CG-CE1 3.72Å; Y263-F274 CarbonylContact C-O 3.53Å; Y263-F274 WeakPolarHBondContact CA-O 3.23Å; Y263-F274 WeakPolarHBondContact CB-O 3.25Å; E264-F274 PolarHBondContact N-O 3.42Å; E264-F274 PolarHBondContact O-N 3.04Å; Y266-F274 HydrophobicContact CD1-CE2 4.39Å; Y266-F274 AromaticContact CD2-CE2 3.67Å; Y266-F274 HydrophobicContact CD2-CE2 3.67Å; Y266-F274 HydrophobicContact CE2-CE2 4.48Å; Y266-F274 AromaticContact CG-CE2 3.63Å; Y266-F274 HydrophobicContact CG-CE2 3.63Å; Y266-F274 HydrophobicContact CG-CZ 4.42Å; F274-Y276 HydrophobicContact CB-CD2 4.46Å; F274-Y276 HydrophobicContact CB-CE2 3.53Å; F274-Y276 WeakPolarHBondContact CB-OH 3.13Å
275V93.5Very high78.3Confident6 Ų655.2 Ų55.24%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-107.9128.5178.7-175.10000109.5V237 A238 I240 F256 L261 I273V237-V275 HydrophobicContact CG2-CB 4.3Å; V237-V275 HydrophobicContact CG2-CG1 4.01Å; V237-V275 VanDerWaalsContact CG2-O 3.22Å; V237-V275 WeakPolarHBondContact CG2-O 3.29Å; V237-V275 PolarHBondContact N-O 3.4Å; A238-V275 HydrophobicContact CB-CB 4.25Å; A238-V275 PolarHBondContact N-O 3.23Å; A238-V275 PolarHBondContact O-N 2.83Å; I240-V275 HydrophobicContact CD1-CG2 3.71Å; I240-V275 HydrophobicContact CG1-CG2 4.43Å; F256-V275 HydrophobicContact CD1-CG1 4.24Å; F256-V275 HydrophobicContact CE1-CG1 3.87Å; F256-V275 HydrophobicContact CE1-CG2 4.04Å; L261-V275 HydrophobicContact CB-CG1 4.27Å; L261-V275 HydrophobicContact CD1-CG1 4.24Å; I273-V275 HydrophobicContact CG2-CG2 4.21Å
276Y88.6Confident77.9Confident39 Ų3952.5 Ų52.515%0.15327%0.267CS..EExtended strand (participates in β ladder)trans-116.9137.4-175.1-61.6-85000111.8L235 L236 L261 N262 E264 F274L235-Y276 CarbonylContact O-C 3.58Å; L235-Y276 VanDerWaalsContact O-CA 3.26Å; L235-Y276 WeakPolarHBondContact O-CA 3.27Å; L236-Y276 HydrophobicContact CB-CD1 4.15Å; L236-Y276 HydrophobicContact CB-CE1 3.91Å; L236-Y276 HydrophobicContact CD1-CD1 4.32Å; L236-Y276 HydrophobicContact CD1-CE1 3.91Å; L236-Y276 HydrophobicContact CG-CE1 4.49Å; L261-Y276 WeakPolarHBondContact CA-O 3.47Å; N262-Y276 PolarHBondContact N-O 3.17Å; N262-Y276 PolarHBondContact O-N 2.95Å; E264-Y276 HydrophobicContact CB-CE2 4.12Å; E264-Y276 HydrophobicContact CG-CD2 4.41Å; E264-Y276 HydrophobicContact CG-CE2 3.95Å; F274-Y276 HydrophobicContact CB-CD2 4.46Å; F274-Y276 HydrophobicContact CB-CE2 3.53Å; F274-Y276 WeakPolarHBondContact CB-OH 3.13Å
277M82Confident77.5Confident42 Ų4252.3 Ų52.321%0.20727%0.273CS..EExtended strand (participates in β ladder)trans-91.9121.8165.2-170.6174.4-16700109.1L235 V237 L261L235-M277 PolarHBondContact N-O 2.95Å; L235-M277 PolarHBondContact O-N 3.47Å; V237-M277 HydrophobicContact CG1-CB 3.69Å; L261-M277 HydrophobicContact CD2-CB 3.8Å; L261-M277 HydrophobicContact CD2-CG 3.96Å
278P70.2Confident77.6Confident31 Ų3148.8 Ų48.820%0.20126%0.255CS..  trans-68.8144.3172.130.5-35.7000109.9Q260 I280Q260-P278 HydrophobicContact CB-CG 3.95Å; Q260-P278 WeakPolarHBondContact O-CD 3.21Å; Q260-P278 WeakPolarHBondContact O-CG 3.38Å; P278-I280 HydrophobicContact CG-CD1 4.5Å; P278-I280 HydrophobicContact CG-CG1 4.32Å; P278-I280 PolarHBondContact O-N 3.37Å
279Y60Low77.9Confident66 Ų6644.4 Ų44.426%0.25923%0.229SC..  trans-68.2115.3164.4-179.6-114.2000109.4C228 V231 A281C228-Y279 HydrophobicContact CB-CD2 3.77Å; C228-Y279 HydrophobicContact CB-CE2 4.36Å; C228-Y279 WeakPolarHBondContact O-CE2 3.45Å; V231-Y279 HydrophobicContact CB-CD1 4.36Å; V231-Y279 HydrophobicContact CB-CE1 4.11Å; V231-Y279 HydrophobicContact CG1-CD1 4.22Å; V231-Y279 HydrophobicContact CG1-CE1 4.03Å; V231-Y279 HydrophobicContact CG2-CE1 4.02Å; Y279-A281 HydrophobicContact CD1-CB 4.06Å; Y279-A281 HydrophobicContact CE1-CB 3.32Å
280I51.4Low77.9Confident23 Ų2342.1 Ų42.112%0.11822%0.216CC..  trans-106.688.2169.2-50.4169000106.7Q260 P278 G282 Q283Q260-I280 HydrophobicContact CB-CD1 4.09Å; Q260-I280 HydrophobicContact CG-CD1 3.9Å; P278-I280 HydrophobicContact CG-CD1 4.5Å; P278-I280 HydrophobicContact CG-CG1 4.32Å; P278-I280 PolarHBondContact O-N 3.37Å; I280-G282 PolarHBondContact O-N 3.3Å; I280-Q283 HydrophobicContact CB-CB 4.29Å; I280-Q283 HydrophobicContact CB-CG 3.99Å; I280-Q283 HydrophobicContact CD1-CG 4.31Å; I280-Q283 HydrophobicContact CG2-CB 4.31Å; I280-Q283 HydrophobicContact CG2-CG 3.83Å; I280-Q283 PolarHBondContact O-N 2.83Å
281A47.1Very low77.8Confident44 Ų4445.5 Ų45.536%0.36422%0.221SC..Hα-helixtrans-47-36.217400000112Y279 Q283Y279-A281 HydrophobicContact CD1-CB 4.06Å; Y279-A281 HydrophobicContact CE1-CB 3.32Å; A281-Q283 VanDerWaalsContact C-N 3.35Å; A281-Q283 PolarHBondContact O-N 2.65Å
282G48.4Very low77.7Confident3 Ų346.3 Ų46.33%0.03123%0.225CC..Hα-helixtrans-69.8-20.7-179.800000115.5I280 L286I280-G282 PolarHBondContact O-N 3.3Å; G282-L286 WeakPolarHBondContact O-CB 3.34Å; G282-L286 PolarHBondContact O-N 3.29Å
283Q53.1Low77.5Confident61 Ų6145.4 Ų45.429%0.28522%0.221SC..Hα-helixtrans-72-34.8179.9-83.6-170.15.900112.4I280 A281 L285 L286 L287I280-Q283 HydrophobicContact CB-CB 4.29Å; I280-Q283 HydrophobicContact CB-CG 3.99Å; I280-Q283 HydrophobicContact CD1-CG 4.31Å; I280-Q283 HydrophobicContact CG2-CB 4.31Å; I280-Q283 HydrophobicContact CG2-CG 3.83Å; I280-Q283 PolarHBondContact O-N 2.83Å; A281-Q283 VanDerWaalsContact C-N 3.35Å; A281-Q283 PolarHBondContact O-N 2.65Å; Q283-L285 PolarHBondContact O-N 3.04Å; Q283-L286 PolarHBondContact O-N 3.41Å; Q283-L287 WeakPolarHBondContact O-CB 3.29Å; Q283-L287 WeakPolarHBondContact O-CG 3.47Å; Q283-L287 PolarHBondContact O-N 3.37Å
284N62.6Low77.3Confident64 Ų6447.6 Ų47.634%0.34223%0.232SC..Hα-helixtrans-63.4-44.6178.3-77.3-19.9000111.5F288N284-F288 WeakPolarHBondContact O-CB 3.2Å; N284-F288 PolarHBondContact O-N 2.8Å
285L79.6Confident77.2Confident49 Ų4948.8 Ų48.826%0.25724%0.242SC..Hα-helixtrans-69.9-40.9178.7-17159.9000111.2Q283 F288 Y289 E308 M327Q283-L285 PolarHBondContact O-N 3.04Å; L285-F288 HydrophobicContact CD1-CD1 4.41Å; L285-F288 WeakPolarHBondContact O-CB 3.12Å; L285-F288 PolarHBondContact O-N 3.5Å; L285-Y289 HydrophobicContact CD1-CD2 4.15Å; L285-Y289 HydrophobicContact CD1-CE2 3.6Å; L285-Y289 HydrophobicContact CD2-CE2 4.01Å; L285-Y289 HydrophobicContact CG-CD2 3.86Å; L285-Y289 HydrophobicContact CG-CE2 3.47Å; L285-Y289 VanDerWaalsContact CG-CE2 3.47Å; L285-Y289 WeakPolarHBondContact O-CD2 3.16Å; L285-Y289 PolarHBondContact O-N 2.78Å; L285-E308 WeakPolarHBondContact CD2-O 3.39Å; L285-M327 HydrophobicContact CB-CE 4.4Å; L285-M327 HydrophobicContact CD2-CE 3.71Å; L285-M327 HydrophobicContact CG-CE 3.84Å
286L82.3Confident77.2Confident8 Ų851.8 Ų51.84%0.04226%0.257CS..Hα-helixtrans-64.7-42176.3-176.360.9000112.7G282 Q283 F288 Y289 D290 R329 P331G282-L286 WeakPolarHBondContact O-CB 3.34Å; G282-L286 PolarHBondContact O-N 3.29Å; Q283-L286 PolarHBondContact O-N 3.41Å; L286-F288 VanDerWaalsContact C-N 3.35Å; L286-Y289 PolarHBondContact O-N 3.47Å; L286-D290 VanDerWaalsContact O-CG 3.27Å; L286-D290 PolarHBondContact O-N 3.45Å; L286-R329 WeakPolarHBondContact CD1-O 3.42Å; L286-R329 HydrophobicContact CD2-CG 3.8Å; L286-P331 HydrophobicContact CD1-CB 4.45Å; L286-P331 HydrophobicContact CD1-CG 4.02Å
287L80.4Confident77.4Confident97 Ų9751.7 Ų51.751%0.50826%0.257SS..Hα-helixtrans-65.2-39.2175.7-73.5171.1000111.6Q283 D290 Y291Q283-L287 WeakPolarHBondContact O-CB 3.29Å; Q283-L287 WeakPolarHBondContact O-CG 3.47Å; Q283-L287 PolarHBondContact O-N 3.37Å; L287-D290 PolarHBondContact O-N 3.24Å; L287-Y291 PolarHBondContact O-N 3Å
288F85.1Confident77.9Confident112 Ų11257.2 Ų57.249%0.49128%0.282SS..Hα-helixtrans-61-46.9172.4174.1-107.9000111.1N284 L285 L286 D290 Y291 L292N284-F288 WeakPolarHBondContact O-CB 3.2Å; N284-F288 PolarHBondContact O-N 2.8Å; L285-F288 HydrophobicContact CD1-CD1 4.41Å; L285-F288 WeakPolarHBondContact O-CB 3.12Å; L285-F288 PolarHBondContact O-N 3.5Å; L286-F288 VanDerWaalsContact C-N 3.35Å; F288-D290 PolarHBondContact O-N 2.98Å; F288-Y291 WeakPolarHBondContact O-CB 3.44Å; F288-Y291 PolarHBondContact O-N 3.36Å; F288-L292 HydrophobicContact CD1-CD1 4.01Å; F288-L292 HydrophobicContact CE1-CD1 3.36Å; F288-L292 HydrophobicContact CE1-CG 4.15Å; F288-L292 HydrophobicContact CE2-CD1 4.2Å; F288-L292 HydrophobicContact CE2-CD2 4.41Å; F288-L292 HydrophobicContact CE2-CG 4.2Å; F288-L292 HydrophobicContact CZ-CD1 3.47Å; F288-L292 VanDerWaalsContact CZ-CD1 3.47Å; F288-L292 HydrophobicContact CZ-CD2 4.29Å; F288-L292 HydrophobicContact CZ-CG 3.97Å; F288-L292 PolarHBondContact O-N 3.28Å
289Y91.1Very high79.1Confident40 Ų4062.2 Ų62.216%0.15731%0.312CS..Hα-helixtrans-65-37.6175.3-74.6-58.1000112.9L285 L286 Y291 L292 V293 E308 M327 P331L285-Y289 HydrophobicContact CD1-CD2 4.15Å; L285-Y289 HydrophobicContact CD1-CE2 3.6Å; L285-Y289 HydrophobicContact CD2-CE2 4.01Å; L285-Y289 HydrophobicContact CG-CD2 3.86Å; L285-Y289 HydrophobicContact CG-CE2 3.47Å; L285-Y289 VanDerWaalsContact CG-CE2 3.47Å; L285-Y289 WeakPolarHBondContact O-CD2 3.16Å; L285-Y289 PolarHBondContact O-N 2.78Å; L286-Y289 PolarHBondContact O-N 3.47Å; Y289-Y291 VanDerWaalsContact C-N 3.29Å; Y289-Y291 PolarHBondContact O-N 2.8Å; Y289-L292 HydrophobicContact CD1-CD1 4.39Å; Y289-L292 PolarHBondContact O-N 2.9Å; Y289-V293 WeakPolarHBondContact O-CB 3.36Å; Y289-V293 VanDerWaalsContact O-CG2 3.29Å; Y289-V293 WeakPolarHBondContact O-CG2 3.35Å; Y289-V293 PolarHBondContact O-N 2.76Å; Y289-E308 VanDerWaalsContact CE2-O 3.25Å; Y289-E308 WeakPolarHBondContact CE2-O 3.13Å; Y289-E308 PolarHBondContact OH-N 3.13Å; Y289-E308 VanDerWaalsContact OH-N 3.13Å; Y289-E308 PolarHBondContact OH-O 2.95Å; Y289-M327 HydrophobicContact CD2-CE 3.76Å; Y289-M327 HydrophobicContact CE2-CE 3.67Å; Y289-P331 VanDerWaalsContact CB-CG 3.49Å; Y289-P331 HydrophobicContact CD2-CG 4.41Å; Y289-P331 HydrophobicContact CG-CG 4.1Å
290D89.6Confident80.7Confident7 Ų762 Ų624%0.03732%0.315CS..Hα-helixtrans-58.6-44.2174.4-72.8-30.9000111.2L286 L287 F288 V293 N294 R329 P331 G332L286-D290 VanDerWaalsContact O-CG 3.27Å; L286-D290 PolarHBondContact O-N 3.45Å; L287-D290 PolarHBondContact O-N 3.24Å; F288-D290 PolarHBondContact O-N 2.98Å; D290-V293 PolarHBondContact O-N 3.3Å; D290-N294 WeakPolarHBondContact O-CB 3.1Å; D290-N294 PolarHBondContact O-N 3.18Å; D290-N294 PolarHBondContact O-ND2 3.38Å; D290-R329 VanDerWaalsContact CG-NH1 3.32Å; D290-R329 IonicContact OD1-CZ 3.03Å; D290-R329 IonicContact OD1-NH1 3.75Å; D290-R329 PolarHBondContact OD1-NH1 2.95Å; D290-R329 IonicContact OD1-NH2 3.88Å; D290-R329 IonicContact OD2-CZ 3.79Å; D290-R329 VanDerWaalsContact OD2-CZ 3.31Å; D290-R329 IonicContact OD2-NH1 3.16Å; D290-R329 PolarHBondContact OD2-NH1 2.85Å; D290-R329 VanDerWaalsContact OD2-NH1 3.08Å; D290-R329 IonicContact OD2-NH2 3.82Å; D290-R329 PolarHBondContact OD2-NH2 2.94Å; D290-P331 WeakPolarHBondContact OD1-CA 3.45Å; D290-G332 PolarHBondContact OD1-N 3.14Å
291Y88.5Confident82.6Confident154 Ų15468 Ų6860%0.60434%0.341SS*.Hα-helixtrans-60.7-49.6175.2172.6-97.8000111.3L287 F288 Y289 V293 N294 V295L287-Y291 PolarHBondContact O-N 3Å; F288-Y291 WeakPolarHBondContact O-CB 3.44Å; F288-Y291 PolarHBondContact O-N 3.36Å; Y289-Y291 VanDerWaalsContact C-N 3.29Å; Y289-Y291 PolarHBondContact O-N 2.8Å; Y291-V293 PolarHBondContact O-N 2.77Å; Y291-N294 PolarHBondContact O-N 3.06Å; Y291-V295 HydrophobicContact CD1-CG2 4.46Å; Y291-V295 HydrophobicContact CE1-CG2 3.99Å; Y291-V295 HydrophobicContact CE2-CG2 4.07Å; Y291-V295 WeakPolarHBondContact O-CG2 3.11Å; Y291-V295 PolarHBondContact O-N 2.87Å
292L91.3Very high84.7Confident57 Ų5771.5 Ų71.530%0.29835%0.353SS..Hα-helixtrans-61-43.1178.2-71.7-176.3000112.4F288 Y289 N294 V295 I296F288-L292 HydrophobicContact CD1-CD1 4.01Å; F288-L292 HydrophobicContact CE1-CD1 3.36Å; F288-L292 HydrophobicContact CE1-CG 4.15Å; F288-L292 HydrophobicContact CE2-CD1 4.2Å; F288-L292 HydrophobicContact CE2-CD2 4.41Å; F288-L292 HydrophobicContact CE2-CG 4.2Å; F288-L292 HydrophobicContact CZ-CD1 3.47Å; F288-L292 VanDerWaalsContact CZ-CD1 3.47Å; F288-L292 HydrophobicContact CZ-CD2 4.29Å; F288-L292 HydrophobicContact CZ-CG 3.97Å; F288-L292 PolarHBondContact O-N 3.28Å; Y289-L292 HydrophobicContact CD1-CD1 4.39Å; Y289-L292 PolarHBondContact O-N 2.9Å; L292-N294 VanDerWaalsContact C-N 3.33Å; L292-N294 PolarHBondContact O-N 3.22Å; L292-V295 PolarHBondContact O-N 3.03Å; L292-I296 WeakPolarHBondContact O-CB 3.37Å; L292-I296 VanDerWaalsContact O-CG1 3.26Å; L292-I296 WeakPolarHBondContact O-CG1 3.13Å; L292-I296 PolarHBondContact O-N 3.3Å
293V93Very high86.8Confident7 Ų774.8 Ų74.84%0.04237%0.373CS..Hα-helixtrans-60.1-46176.2169.70000110.3Y289 D290 Y291 V295 I296 R297 I305 P331Y289-V293 WeakPolarHBondContact O-CB 3.36Å; Y289-V293 VanDerWaalsContact O-CG2 3.29Å; Y289-V293 WeakPolarHBondContact O-CG2 3.35Å; Y289-V293 PolarHBondContact O-N 2.76Å; D290-V293 PolarHBondContact O-N 3.3Å; Y291-V293 PolarHBondContact O-N 2.77Å; V293-V295 VanDerWaalsContact C-N 3.3Å; V293-V295 PolarHBondContact O-N 3.19Å; V293-I296 PolarHBondContact O-N 3.46Å; V293-R297 HydrophobicContact CG1-CG 3.86Å; V293-R297 WeakPolarHBondContact O-CB 3.44Å; V293-R297 WeakPolarHBondContact O-CG 3.07Å; V293-R297 PolarHBondContact O-N 2.84Å; V293-I305 HydrophobicContact CG2-CB 4.35Å; V293-I305 HydrophobicContact CG2-CG1 4.15Å; V293-I305 HydrophobicContact CG2-CG2 3.84Å; V293-P331 HydrophobicContact CG2-CB 3.76Å
294N90.3Very high88.8Confident55 Ų5576.1 Ų76.129%0.29438%0.381SS..Hα-helixtrans-59.8-41.3177.4-73-34.7000112D290 Y291 L292 Q298D290-N294 WeakPolarHBondContact O-CB 3.1Å; D290-N294 PolarHBondContact O-N 3.18Å; D290-N294 PolarHBondContact O-ND2 3.38Å; Y291-N294 PolarHBondContact O-N 3.06Å; L292-N294 VanDerWaalsContact C-N 3.33Å; L292-N294 PolarHBondContact O-N 3.22Å; N294-Q298 WeakPolarHBondContact O-CG 3.4Å; N294-Q298 PolarHBondContact O-N 3.35Å
295V92.6Very high90.3Very high59 Ų5973.8 Ų73.836%0.35837%0.369SS..Hα-helixtrans-66.1-47.6176.2173.50000111.4Y291 L292 V293 R297 Q298Y291-V295 HydrophobicContact CD1-CG2 4.46Å; Y291-V295 HydrophobicContact CE1-CG2 3.99Å; Y291-V295 HydrophobicContact CE2-CG2 4.07Å; Y291-V295 WeakPolarHBondContact O-CG2 3.11Å; Y291-V295 PolarHBondContact O-N 2.87Å; L292-V295 PolarHBondContact O-N 3.03Å; V293-V295 VanDerWaalsContact C-N 3.3Å; V293-V295 PolarHBondContact O-N 3.19Å; V295-R297 VanDerWaalsContact C-N 3.3Å; V295-R297 PolarHBondContact O-N 3.47Å; V295-Q298 WeakPolarHBondContact O-CB 3.44Å; V295-Q298 PolarHBondContact O-N 2.85Å
296I93.9Very high91.1Very high70 Ų7075.7 Ų75.736%0.35938%0.375SS..Hα-helixtrans-61.3-42.2178.8-67.1164.7000110.2L292 V293 Q298 T299 D300 I305L292-I296 WeakPolarHBondContact O-CB 3.37Å; L292-I296 VanDerWaalsContact O-CG1 3.26Å; L292-I296 WeakPolarHBondContact O-CG1 3.13Å; L292-I296 PolarHBondContact O-N 3.3Å; V293-I296 PolarHBondContact O-N 3.46Å; I296-Q298 PolarHBondContact O-N 2.96Å; I296-T299 PolarHBondContact O-N 3.06Å; I296-D300 PolarHBondContact O-N 2.86Å; I296-I305 HydrophobicContact CB-CD1 4.35Å; I296-I305 HydrophobicContact CD1-CD1 3.93Å; I296-I305 HydrophobicContact CG2-CD1 3.77Å
297R92.6Very high91.6Very high37 Ų3775.4 Ų75.414%0.1437%0.374CS..Hα-helixtrans-69-16.6-178.5-68.8-72176-118.22.2114.5V293 V295 D300 T303V293-R297 HydrophobicContact CG1-CG 3.86Å; V293-R297 WeakPolarHBondContact O-CB 3.44Å; V293-R297 WeakPolarHBondContact O-CG 3.07Å; V293-R297 PolarHBondContact O-N 2.84Å; V295-R297 VanDerWaalsContact C-N 3.3Å; V295-R297 PolarHBondContact O-N 3.47Å; R297-D300 WeakPolarHBondContact CA-O 3.4Å; R297-D300 WeakPolarHBondContact CD-O 3.22Å; R297-D300 PolarHBondContact NH1-O 2.82Å; R297-T303 PolarHBondContact NH1-O 2.86Å; R297-T303 PolarHBondContact NH2-O 2.89Å
298Q92.5Very high92.1Very high158 Ų15873 Ų7374%0.73836%0.36SS*.Hα-helixtrans-66.6-29.9168.3-71.7172.76.400111.8N294 V295 I296N294-Q298 WeakPolarHBondContact O-CG 3.4Å; N294-Q298 PolarHBondContact O-N 3.35Å; V295-Q298 WeakPolarHBondContact O-CB 3.44Å; V295-Q298 PolarHBondContact O-N 2.85Å; I296-Q298 PolarHBondContact O-N 2.96Å
299T95.8Very high92Very high135 Ų13567.9 Ų67.983%0.82834%0.338SS*.Hα-helixtrans-103.7-40.8-176.7-51.60000112.3I296I296-T299 PolarHBondContact O-N 3.06Å
300D94.2Very high91.5Very high61 Ų6170.1 Ų70.133%0.32636%0.356SS..  trans-136108.7-175.7-174.2-24.2000111.1I296 R297 D302 T303I296-D300 PolarHBondContact O-N 2.86Å; R297-D300 WeakPolarHBondContact CA-O 3.4Å; R297-D300 WeakPolarHBondContact CD-O 3.22Å; R297-D300 PolarHBondContact NH1-O 2.82Å; D300-D302 PolarHBondContact OD1-N 2.96Å; D300-T303 VanDerWaalsContact CG-OG1 3.24Å; D300-T303 PolarHBondContact OD1-N 3.3Å; D300-T303 PolarHBondContact OD1-OG1 3.26Å; D300-T303 WeakPolarHBondContact OD2-CB 3.26Å; D300-T303 PolarHBondContact OD2-OG1 3.24Å
301K91.1Very high90.7Very high151 Ų15172.4 Ų72.466%0.65737%0.37SS*.SBendtrans-80.7-17.5-175.1-63.3-173.6-179.1-179.10113.7K342K301-K342 PolarHBondContact O-NZ 3.36Å
302D91Very high90.2Very high117 Ų11772.7 Ų72.763%0.62637%0.371SS*.SBendtrans-119.6-22.1-162.7-65.8-44.3000114.5D300 K342D300-D302 PolarHBondContact OD1-N 2.96Å; D302-K342 IonicContact OD1-NZ 3.65Å; D302-K342 PolarHBondContact OD1-NZ 2.91Å
303T93.1Very high89.7Confident71 Ų7170.2 Ų70.244%0.43636%0.359SS..SBendtrans-59.3138179.1-750000112.9R297 D300R297-T303 PolarHBondContact NH1-O 2.86Å; R297-T303 PolarHBondContact NH2-O 2.89Å; D300-T303 VanDerWaalsContact CG-OG1 3.24Å; D300-T303 PolarHBondContact OD1-N 3.3Å; D300-T303 PolarHBondContact OD1-OG1 3.26Å; D300-T303 WeakPolarHBondContact OD2-CB 3.26Å; D300-T303 PolarHBondContact OD2-OG1 3.24Å
304L94.1Very high89.3Confident90 Ų9069.9 Ų69.947%0.47136%0.357SS..PPolyproline II helixtrans-65.7133174.7-64-179.8000110.8F306 K342 V344L304-F306 HydrophobicContact CB-CE2 4.12Å; L304-K342 WeakPolarHBondContact CA-O 3.2Å; L304-V344 HydrophobicContact CB-CG2 4.4Å; L304-V344 HydrophobicContact CD1-CG2 4.29Å
305I95Very high89Confident15 Ų1569.2 Ų69.28%0.07735%0.351CS..EExtended strand (participates in β ladder)trans-99.6116.9175.5-54.7-60.2000109.2V293 I296 K342 S343 V344V293-I305 HydrophobicContact CG2-CB 4.35Å; V293-I305 HydrophobicContact CG2-CG1 4.15Å; V293-I305 HydrophobicContact CG2-CG2 3.84Å; I296-I305 HydrophobicContact CB-CD1 4.35Å; I296-I305 HydrophobicContact CD1-CD1 3.93Å; I296-I305 HydrophobicContact CG2-CD1 3.77Å; I305-K342 PolarHBondContact N-O 3.34Å; I305-S343 CarbonylContact O-C 3.6Å; I305-S343 WeakPolarHBondContact O-CA 3.27Å; I305-V344 PolarHBondContact O-N 3.13Å
306F94.9Very high88.5Confident88 Ų8872.2 Ų72.239%0.38636%0.359SS..EExtended strand (participates in β ladder)trans-85.7130.4169.5-72.7-113.9000108.6L304 V344 F395L304-F306 HydrophobicContact CB-CE2 4.12Å; F306-V344 WeakPolarHBondContact CA-O 3.29Å; F306-V344 HydrophobicContact CD1-CB 4.1Å; F306-V344 HydrophobicContact CD1-CG1 3.92Å; F306-V344 HydrophobicContact CD2-CB 4.33Å; F306-V344 HydrophobicContact CE1-CB 4.14Å; F306-V344 HydrophobicContact CE1-CG1 3.7Å; F306-V344 HydrophobicContact CE2-CB 4.33Å; F306-V344 HydrophobicContact CE2-CG2 4.26Å; F306-V344 HydrophobicContact CG-CB 4.2Å; F306-V344 HydrophobicContact CZ-CB 4.24Å; F306-V344 HydrophobicContact CZ-CG1 4.08Å; F306-V344 HydrophobicContact CZ-CG2 4.3Å; F306-F395 HydrophobicContact CD1-CB 4.2Å; F306-F395 HydrophobicContact CD1-CG 4.43Å; F306-F395 HydrophobicContact CE1-CB 3.59Å; F306-F395 AromaticContact CE1-CD1 3.99Å; F306-F395 HydrophobicContact CE1-CD1 3.99Å; F306-F395 AromaticContact CE1-CD2 3.7Å; F306-F395 HydrophobicContact CE1-CD2 3.7Å; F306-F395 HydrophobicContact CE1-CE2 4.32Å; F306-F395 AromaticContact CE1-CG 3.52Å; F306-F395 HydrophobicContact CE1-CG 3.52Å; F306-F395 HydrophobicContact CZ-CD2 4.04Å; F306-F395 HydrophobicContact CZ-CE2 4.44Å; F306-F395 HydrophobicContact CZ-CG 4.32Å
307Y93.4Very high87.6Confident3 Ų372.1 Ų72.11%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-134.1140.117767.5-84.8000109.2M327 V330 P331 V344 L345 S346Y307-M327 HydrophobicContact CD2-CE 4.06Å; Y307-M327 HydrophobicContact CD2-SD 3.5Å; Y307-M327 WeakPolarHBondContact CD2-SD 3.26Å; Y307-M327 HydrophobicContact CE2-SD 3.47Å; Y307-M327 WeakPolarHBondContact CE2-SD 3.3Å; Y307-V330 HydrophobicContact CE1-CB 4.4Å; Y307-V330 HydrophobicContact CE1-CG1 4.28Å; Y307-P331 HydrophobicContact CD1-CG 3.92Å; Y307-P331 HydrophobicContact CD2-CG 3.96Å; Y307-P331 HydrophobicContact CE1-CG 4.47Å; Y307-P331 HydrophobicContact CE2-CG 4.5Å; Y307-P331 HydrophobicContact CG-CG 3.64Å; Y307-V344 WeakPolarHBondContact CD1-O 3.42Å; Y307-V344 VanDerWaalsContact CE1-C 3.5Å; Y307-V344 WeakPolarHBondContact CE1-O 3.44Å; Y307-V344 PolarHBondContact N-O 2.71Å; Y307-L345 HydrophobicContact CD2-CD1 4.21Å; Y307-L345 HydrophobicContact CE2-CB 4.36Å; Y307-L345 HydrophobicContact CE2-CD1 3.7Å; Y307-S346 WeakPolarHBondContact O-CB 3.48Å; Y307-S346 PolarHBondContact O-N 3.47Å
308E90.8Very high86.7Confident46 Ų4673.5 Ų73.522%0.21537%0.37CS..EExtended strand (participates in β ladder)trans-108.5142.7-178.3-157.7-166.7148.400109.6L285 Y289 T311 M327 S346 H348L285-E308 WeakPolarHBondContact CD2-O 3.39Å; Y289-E308 VanDerWaalsContact CE2-O 3.25Å; Y289-E308 WeakPolarHBondContact CE2-O 3.13Å; Y289-E308 PolarHBondContact OH-N 3.13Å; Y289-E308 VanDerWaalsContact OH-N 3.13Å; Y289-E308 PolarHBondContact OH-O 2.95Å; E308-T311 PolarHBondContact OE1-OG1 3.04Å; E308-T311 VanDerWaalsContact OE1-OG1 3.07Å; E308-M327 VanDerWaalsContact O-CE 3.23Å; E308-M327 WeakPolarHBondContact O-CE 3.21Å; E308-S346 WeakPolarHBondContact CA-O 3.44Å; E308-S346 WeakPolarHBondContact CG-O 3.33Å; E308-H348 IonicContact OE1-CE1 3.08Å; E308-H348 PolarHBondContact OE1-CE1 2.99Å; E308-H348 IonicContact OE1-ND1 2.97Å; E308-H348 IonicContact OE1-NE2 3.45Å; E308-H348 IonicContact OE2-CE1 3.47Å; E308-H348 IonicContact OE2-NE2 3.91Å
309S83.6Confident85.4Confident5 Ų570.3 Ų70.34%0.03536%0.361CS..  trans-76.9179.1164.765.40000110.8T311 T325S309-T311 PolarHBondContact O-N 3.33Å; S309-T325 VanDerWaalsContact CB-CB 3.45Å; S309-T325 WeakPolarHBondContact OG-CG2 3.47Å
310V79.4Confident83.8Confident87 Ų8771.4 Ų71.453%0.52736%0.362SS..  trans-53.9129.2159.1-178.50000107.7Y312 G313V310-Y312 PolarHBondContact O-N 3.29Å; V310-G313 WeakPolarHBondContact O-CA 3.49Å; V310-G313 PolarHBondContact O-N 3.26Å
311T74.7Confident82.4Confident55 Ų5571.2 Ų71.234%0.33738%0.375SS..THydrogen-bonded Turntrans-52.1-35.7-168.4-49.40000113.3E308 S309 I314 H348E308-T311 PolarHBondContact OE1-OG1 3.04Å; E308-T311 VanDerWaalsContact OE1-OG1 3.07Å; S309-T311 PolarHBondContact O-N 3.33Å; T311-I314 VanDerWaalsContact O-CG1 3.31Å; T311-I314 WeakPolarHBondContact O-CG1 3.34Å; T311-H348 HydrophobicContact CG2-CB 4.18Å
312Y77Confident81.1Confident159 Ų15966 Ų6662%0.62435%0.354SS*.THydrogen-bonded Turntrans-82.5-13.4177.8-66.3-74.9000115.1V310 I314 Y315 F316V310-Y312 PolarHBondContact O-N 3.29Å; Y312-I314 PolarHBondContact O-N 3.23Å; Y312-I314 VanDerWaalsContact O-N 3.16Å; Y312-Y315 HydrophobicContact CD1-CD2 4.08Å; Y312-Y315 HydrophobicContact CD1-CE2 4.19Å; Y312-Y315 WeakPolarHBondContact O-CD2 3.44Å; Y312-Y315 PolarHBondContact O-N 2.92Å; Y312-F316 VanDerWaalsContact O-CD2 3.24Å; Y312-F316 WeakPolarHBondContact O-CD2 3.4Å
313G81Confident80.2Confident5 Ų560.7 Ų60.75%0.05233%0.325CS..G310 helixtrans-58.7-30-17600000113.6V310 Y315 F316 G324 T325V310-G313 WeakPolarHBondContact O-CA 3.49Å; V310-G313 PolarHBondContact O-N 3.26Å; G313-Y315 PolarHBondContact O-N 3.02Å; G313-F316 PolarHBondContact O-N 3Å; G313-G324 WeakPolarHBondContact CA-O 3.12Å; G313-G324 CarbonylContact O-C 3.48Å; G313-G324 WeakPolarHBondContact O-CA 3.15Å; G313-T325 PolarHBondContact O-N 2.82Å
314I84.5Confident79.4Confident0 Ų058.4 Ų58.40%032%0.316CS..G310 helixtrans-68.2-16.8175.856124.1000114.4T311 Y312 T325 Y347 H348 T379 N382 V383T311-I314 VanDerWaalsContact O-CG1 3.31Å; T311-I314 WeakPolarHBondContact O-CG1 3.34Å; Y312-I314 PolarHBondContact O-N 3.23Å; Y312-I314 VanDerWaalsContact O-N 3.16Å; I314-T325 HydrophobicContact CG2-CG2 4.11Å; I314-Y347 HydrophobicContact CD1-CD2 4.27Å; I314-H348 WeakPolarHBondContact CD1-O 3.37Å; I314-T379 HydrophobicContact CD1-CG2 3.51Å; I314-N382 PolarHBondContact O-ND2 3.3Å; I314-V383 HydrophobicContact CB-CG2 4.23Å; I314-V383 HydrophobicContact CG2-CG2 4.05Å
315Y84.4Confident78.7Confident42 Ų4254.4 Ų54.417%0.16530%0.295CS..G310 helixtrans-89.9-9.9174.3-56.7-77.1000112.7Y312 G313 Y349 Y350 L375 Y378 T379Y312-Y315 HydrophobicContact CD1-CD2 4.08Å; Y312-Y315 HydrophobicContact CD1-CE2 4.19Å; Y312-Y315 WeakPolarHBondContact O-CD2 3.44Å; Y312-Y315 PolarHBondContact O-N 2.92Å; G313-Y315 PolarHBondContact O-N 3.02Å; Y315-Y349 HydrophobicContact CE1-CD2 4.28Å; Y315-Y350 PolarHBondContact OH-N 2.79Å; Y315-L375 HydrophobicContact CD1-CD1 3.82Å; Y315-L375 HydrophobicContact CD1-CG 4.46Å; Y315-L375 HydrophobicContact CE1-CD1 4.07Å; Y315-L375 HydrophobicContact CE1-CD2 4.44Å; Y315-L375 HydrophobicContact CE1-CG 4.23Å; Y315-Y378 WeakPolarHBondContact O-CE1 3.37Å; Y315-Y378 PolarHBondContact O-OH 3.09Å; Y315-T379 WeakPolarHBondContact CD1-OG1 3.15Å; Y315-T379 VanDerWaalsContact CE1-OG1 3.29Å; Y315-T379 WeakPolarHBondContact CE1-OG1 3.26Å
316F81.3Confident77.8Confident121 Ų12154.4 Ų54.453%0.53130%0.299SS..SBendtrans-94.6139.5-179.5-69.7-77.1000112Y312 G313 N382Y312-F316 VanDerWaalsContact O-CD2 3.24Å; Y312-F316 WeakPolarHBondContact O-CD2 3.4Å; G313-F316 PolarHBondContact O-N 3Å; F316-N382 PolarHBondContact O-ND2 2.97Å
317P75.8Confident77.1Confident68 Ų6850.3 Ų50.344%0.44228%0.281SS..  trans-71.3174.7177.632.7-36.3000111.1V319 G324P317-V319 PolarHBondContact O-N 3.41Å; P317-G324 PolarHBondContact O-N 2.84Å
318F72.8Confident76.6Confident67 Ų6753.5 Ų53.529%0.29430%0.296SS..  trans-66.7130.9169.6-75.7-117.3000110.2I322 P323 S385 I386F318-I322 CarbonylContact C-O 3.54Å; F318-I322 WeakPolarHBondContact CA-O 3.44Å; F318-P323 HydrophobicContact CD1-CG 4.2Å; F318-P323 HydrophobicContact CE1-CB 4.32Å; F318-P323 HydrophobicContact CE1-CG 3.59Å; F318-P323 HydrophobicContact CZ-CB 4.33Å; F318-P323 HydrophobicContact CZ-CG 3.87Å; F318-S385 WeakPolarHBondContact CE2-OG 3.36Å; F318-I386 HydrophobicContact CE2-CG1 4Å; F318-I386 HydrophobicContact CZ-CG1 4.24Å
319V65.7Low76.4Confident91 Ų9153.2 Ų53.255%0.55229%0.293SS*.BIsolated β-bridgetrans-116.7120.5173.1-177.70000107.9P317 G321 I322P317-V319 PolarHBondContact O-N 3.41Å; V319-G321 PolarHBondContact O-N 3.19Å; V319-I322 PolarHBondContact N-O 3Å; V319-I322 WeakPolarHBondContact O-CB 3.18Å; V319-I322 PolarHBondContact O-N 2.76Å
320N61.7Low76.8Confident158 Ų15853 Ų5385%0.84529%0.291SS*.THydrogen-bonded Turntrans51.538.9-176-60.6-23.4000113.6I322N320-I322 PolarHBondContact O-N 3.32Å
321G64.9Low77.4Confident57 Ų5748.8 Ų48.859%0.58827%0.266SS*.THydrogen-bonded Turntrans76.10.4-177.600000115V319V319-G321 PolarHBondContact O-N 3.19Å
322I64.9Low78.1Confident42 Ų4246.3 Ų46.322%0.21525%0.251CS..BIsolated β-bridgetrans-91.7124.8175.9-50.1-172.8000108.9F318 V319 N320 Q328F318-I322 CarbonylContact C-O 3.54Å; F318-I322 WeakPolarHBondContact CA-O 3.44Å; V319-I322 PolarHBondContact N-O 3Å; V319-I322 WeakPolarHBondContact O-CB 3.18Å; V319-I322 PolarHBondContact O-N 2.76Å; N320-I322 PolarHBondContact O-N 3.32Å; I322-Q328 HydrophobicContact CG2-CG 4.12Å
323P72.2Confident78.7Confident4 Ų440.2 Ų40.23%0.02623%0.229CC..  trans-48.9144.1169.5-33.740.5000113.1F318 T325 G326 M327 I386F318-P323 HydrophobicContact CD1-CG 4.2Å; F318-P323 HydrophobicContact CE1-CB 4.32Å; F318-P323 HydrophobicContact CE1-CG 3.59Å; F318-P323 HydrophobicContact CZ-CB 4.33Å; F318-P323 HydrophobicContact CZ-CG 3.87Å; P323-T325 VanDerWaalsContact CB-OG1 3.29Å; P323-T325 WeakPolarHBondContact CB-OG1 3.11Å; P323-T325 PolarHBondContact O-N 3.34Å; P323-G326 WeakPolarHBondContact O-CA 3.4Å; P323-G326 PolarHBondContact O-N 3.5Å; P323-M327 WeakPolarHBondContact CG-O 3.2Å; P323-I386 HydrophobicContact CB-CG1 4.16Å; P323-I386 HydrophobicContact CB-CG2 4.3Å
324G74.6Confident78.8Confident24 Ų2445.7 Ų45.725%0.24726%0.257CS..THydrogen-bonded Turntrans-57.7-19.9172.600000114G313 P317 G326G313-G324 WeakPolarHBondContact CA-O 3.12Å; G313-G324 CarbonylContact O-C 3.48Å; G313-G324 WeakPolarHBondContact O-CA 3.15Å; P317-G324 PolarHBondContact O-N 2.84Å; G324-G326 PolarHBondContact O-N 3.1Å
325T79.4Confident78.8Confident6 Ų650.9 Ų50.94%0.03728%0.281CS..THydrogen-bonded Turntrans-69-16.9171.361.10000113.7S309 G313 I314 P323 M327 I386S309-T325 VanDerWaalsContact CB-CB 3.45Å; S309-T325 WeakPolarHBondContact OG-CG2 3.47Å; G313-T325 PolarHBondContact O-N 2.82Å; I314-T325 HydrophobicContact CG2-CG2 4.11Å; P323-T325 VanDerWaalsContact CB-OG1 3.29Å; P323-T325 WeakPolarHBondContact CB-OG1 3.11Å; P323-T325 PolarHBondContact O-N 3.34Å; T325-M327 PolarHBondContact O-N 3Å; T325-M327 PolarHBondContact OG1-N 3.13Å; T325-I386 HydrophobicContact CG2-CD1 3.62Å; T325-I386 HydrophobicContact CG2-CG1 4.47Å; T325-I386 HydrophobicContact CG2-CG2 4.27Å
326G76Confident78.8Confident14 Ų1451.9 Ų51.914%0.14429%0.289CS..SBendtrans72.5-2.5-171.800000114.6P323 G324P323-G326 WeakPolarHBondContact O-CA 3.4Å; P323-G326 PolarHBondContact O-N 3.5Å; G324-G326 PolarHBondContact O-N 3.1Å
327M81.9Confident79.1Confident2 Ų254.4 Ų54.41%0.0130%0.303CS..  trans-94.8114.8-179.5-65.6-178.7173.400110.5L285 Y289 Y307 E308 P323 T325 T390L285-M327 HydrophobicContact CB-CE 4.4Å; L285-M327 HydrophobicContact CD2-CE 3.71Å; L285-M327 HydrophobicContact CG-CE 3.84Å; Y289-M327 HydrophobicContact CD2-CE 3.76Å; Y289-M327 HydrophobicContact CE2-CE 3.67Å; Y307-M327 HydrophobicContact CD2-CE 4.06Å; Y307-M327 HydrophobicContact CD2-SD 3.5Å; Y307-M327 WeakPolarHBondContact CD2-SD 3.26Å; Y307-M327 HydrophobicContact CE2-SD 3.47Å; Y307-M327 WeakPolarHBondContact CE2-SD 3.3Å; E308-M327 VanDerWaalsContact O-CE 3.23Å; E308-M327 WeakPolarHBondContact O-CE 3.21Å; P323-M327 WeakPolarHBondContact CG-O 3.2Å; T325-M327 PolarHBondContact O-N 3Å; T325-M327 PolarHBondContact OG1-N 3.13Å; M327-T390 VanDerWaalsContact O-CG2 3.28Å; M327-T390 WeakPolarHBondContact O-CG2 3.32Å
328Q82.5Confident79.8Confident70 Ų7055.2 Ų55.233%0.32730%0.301SS..SBendtrans-89.6-8.9-178.5-61.3-179.8-58.900113.5Q260 I322Q260-Q328 VanDerWaalsContact NE2-OE1 3.09Å; I322-Q328 HydrophobicContact CG2-CG 4.12Å
329R86.7Confident80.7Confident40 Ų4052.2 Ų52.215%0.15129%0.289CS..SBendtrans-156.7164.2-179.155.8175.5177.976.31.7110.2L286 D290 L333L286-R329 WeakPolarHBondContact CD1-O 3.42Å; L286-R329 HydrophobicContact CD2-CG 3.8Å; D290-R329 VanDerWaalsContact CG-NH1 3.32Å; D290-R329 IonicContact OD1-CZ 3.03Å; D290-R329 IonicContact OD1-NH1 3.75Å; D290-R329 PolarHBondContact OD1-NH1 2.95Å; D290-R329 IonicContact OD1-NH2 3.88Å; D290-R329 IonicContact OD2-CZ 3.79Å; D290-R329 VanDerWaalsContact OD2-CZ 3.31Å; D290-R329 IonicContact OD2-NH1 3.16Å; D290-R329 PolarHBondContact OD2-NH1 2.85Å; D290-R329 VanDerWaalsContact OD2-NH1 3.08Å; D290-R329 IonicContact OD2-NH2 3.82Å; D290-R329 PolarHBondContact OD2-NH2 2.94Å; R329-L333 HydrophobicContact CB-CB 4.49Å; R329-L333 HydrophobicContact CB-CD2 3.75Å
330V92.2Very high82.1Confident0 Ų054.1 Ų54.10%029%0.287CS..  trans-66.1150.7167.6-57.70000111.2Y307 L333 A339 R340 G391Y307-V330 HydrophobicContact CE1-CB 4.4Å; Y307-V330 HydrophobicContact CE1-CG1 4.28Å; V330-L333 HydrophobicContact CG2-CB 3.91Å; V330-L333 HydrophobicContact CG2-CD1 4.49Å; V330-L333 WeakPolarHBondContact O-CB 3.43Å; V330-A339 HydrophobicContact CG2-CB 3.91Å; V330-R340 HydrophobicContact CG2-CG 3.99Å; V330-G391 WeakPolarHBondContact CG1-O 3.1Å
331P91.4Very high83.6Confident0 Ų054 Ų540%028%0.279CS..THydrogen-bonded Turntrans-59.3141.4170-2535.6000112.9L286 Y289 D290 V293 Y307 L333L286-P331 HydrophobicContact CD1-CB 4.45Å; L286-P331 HydrophobicContact CD1-CG 4.02Å; Y289-P331 VanDerWaalsContact CB-CG 3.49Å; Y289-P331 HydrophobicContact CD2-CG 4.41Å; Y289-P331 HydrophobicContact CG-CG 4.1Å; D290-P331 WeakPolarHBondContact OD1-CA 3.45Å; V293-P331 HydrophobicContact CG2-CB 3.76Å; Y307-P331 HydrophobicContact CD1-CG 3.92Å; Y307-P331 HydrophobicContact CD2-CG 3.96Å; Y307-P331 HydrophobicContact CE1-CG 4.47Å; Y307-P331 HydrophobicContact CE2-CG 4.5Å; Y307-P331 HydrophobicContact CG-CG 3.64Å; P331-L333 VanDerWaalsContact C-N 3.3Å; P331-L333 PolarHBondContact O-N 2.94Å
332G89.3Confident85Confident3 Ų353 Ų533%0.03126%0.258CS..THydrogen-bonded Turntrans82.1-6.2179.900000115.5D290 L334 Q335 D336D290-G332 PolarHBondContact OD1-N 3.14Å; G332-L334 PolarHBondContact O-N 2.77Å; G332-L334 VanDerWaalsContact O-N 3.16Å; G332-Q335 PolarHBondContact O-N 2.85Å; G332-Q335 PolarHBondContact O-OE1 2.87Å; G332-D336 PolarHBondContact O-N 3.41Å
333L88.6Confident86.4Confident30 Ų3051.1 Ų51.116%0.15725%0.249CC..THydrogen-bonded Turntrans-61.1-27.8-175.5-174.960.9000114R329 V330 P331 Q335 A339 R340R329-L333 HydrophobicContact CB-CB 4.49Å; R329-L333 HydrophobicContact CB-CD2 3.75Å; V330-L333 HydrophobicContact CG2-CB 3.91Å; V330-L333 HydrophobicContact CG2-CD1 4.49Å; V330-L333 WeakPolarHBondContact O-CB 3.43Å; P331-L333 VanDerWaalsContact C-N 3.3Å; P331-L333 PolarHBondContact O-N 2.94Å; L333-Q335 PolarHBondContact O-N 3.15Å; L333-A339 HydrophobicContact CB-CB 4.47Å; L333-R340 HydrophobicContact CD1-CG 3.87Å; L333-R340 HydrophobicContact CD2-CG 4.45Å
334L84.1Confident87.6Confident120 Ų12051.5 Ų51.563%0.62825%0.251SS*.THydrogen-bonded Turntrans-69.6-20.1178.8-65-179.3000112.8G332G332-L334 PolarHBondContact O-N 2.77Å; G332-L334 VanDerWaalsContact O-N 3.16Å
335Q83.5Confident88.5Confident110 Ų11050.4 Ų50.451%0.51424%0.239SC..THydrogen-bonded Turntrans-107.7-31-177.9-64.380.611.300112.3G332 L333G332-Q335 PolarHBondContact O-N 2.85Å; G332-Q335 PolarHBondContact O-OE1 2.87Å; L333-Q335 PolarHBondContact O-N 3.15Å
336D85.5Confident89.3Confident63 Ų6350.7 Ų50.734%0.33724%0.241SC..  trans-140.4113.8-177.1-179.311.6000111.3G332 M338 A339G332-D336 PolarHBondContact O-N 3.41Å; D336-M338 PolarHBondContact O-N 2.75Å; D336-M338 VanDerWaalsContact OD1-CB 3.27Å; D336-M338 WeakPolarHBondContact OD1-CB 3.48Å; D336-M338 PolarHBondContact OD1-N 2.82Å; D336-A339 WeakPolarHBondContact O-CB 3.41Å; D336-A339 PolarHBondContact O-N 3Å
337E87.2Confident90.2Very high173 Ų17350 Ų5081%0.80824%0.235SC*.G310 helixtrans-60.3-25.7175.3-68.3-167.7163.500112.8A339E337-A339 PolarHBondContact O-N 2.83Å
338M90.7Very high90.7Very high85 Ų8550.6 Ų50.642%0.41924%0.237SC..G310 helixtrans-74.4-7.8176.8-65.6-68.4-70.800113.1D336 R340 K341 K342D336-M338 PolarHBondContact O-N 2.75Å; D336-M338 VanDerWaalsContact OD1-CB 3.27Å; D336-M338 WeakPolarHBondContact OD1-CB 3.48Å; D336-M338 PolarHBondContact OD1-N 2.82Å; M338-R340 PolarHBondContact O-N 3.04Å; M338-R340 VanDerWaalsContact O-N 3.15Å; M338-K341 HydrophobicContact CE-CD 3.67Å; M338-K341 PolarHBondContact O-N 2.85Å; M338-K341 HydrophobicContact SD-CD 4.02Å; M338-K342 PolarHBondContact O-N 2.99Å
339A92.6Very high91.2Very high5 Ų547.2 Ų47.24%0.04122%0.222CC..G310 helixtrans-53.4-36.2175.400000112V330 L333 D336 E337 K341 K342 S343V330-A339 HydrophobicContact CG2-CB 3.91Å; L333-A339 HydrophobicContact CB-CB 4.47Å; D336-A339 WeakPolarHBondContact O-CB 3.41Å; D336-A339 PolarHBondContact O-N 3Å; E337-A339 PolarHBondContact O-N 2.83Å; A339-K341 PolarHBondContact O-N 3.1Å; A339-K341 VanDerWaalsContact O-N 3.09Å; A339-K342 CarbonylContact O-C 3.58Å; A339-K342 PolarHBondContact O-N 3.44Å; A339-S343 WeakPolarHBondContact O-CB 3.33Å; A339-S343 PolarHBondContact O-N 3.25Å; A339-S343 PolarHBondContact O-OG 3.14Å
340R93.7Very high91.4Very high130 Ų13047.9 Ų47.949%0.49122%0.224SC..G310 helixtrans-59.3-24176-71.9-176.8179.4172.71.3114.3V330 L333 M338 G392V330-R340 HydrophobicContact CG2-CG 3.99Å; L333-R340 HydrophobicContact CD1-CG 3.87Å; L333-R340 HydrophobicContact CD2-CG 4.45Å; M338-R340 PolarHBondContact O-N 3.04Å; M338-R340 VanDerWaalsContact O-N 3.15Å; R340-G392 WeakPolarHBondContact O-CA 3.27Å; R340-G392 PolarHBondContact O-N 3.49Å
341K93.1Very high91.3Very high156 Ų15648.1 Ų48.168%0.67823%0.226SC*.G310 helixtrans-94.6-6177.1-63.9180-177.6171.30112.7M338 A339M338-K341 HydrophobicContact CE-CD 3.67Å; M338-K341 PolarHBondContact O-N 2.85Å; M338-K341 HydrophobicContact SD-CD 4.02Å; A339-K341 PolarHBondContact O-N 3.1Å; A339-K341 VanDerWaalsContact O-N 3.09Å
342K94.4Very high91.2Very high36 Ų3656.5 Ų56.516%0.15726%0.258CS..THydrogen-bonded Turntrans-12711.8-172.2-62.3-177.6169.4-1760113.4K301 D302 L304 I305 M338 A339K301-K342 PolarHBondContact O-NZ 3.36Å; D302-K342 IonicContact OD1-NZ 3.65Å; D302-K342 PolarHBondContact OD1-NZ 2.91Å; L304-K342 WeakPolarHBondContact CA-O 3.2Å; I305-K342 PolarHBondContact N-O 3.34Å; M338-K342 PolarHBondContact O-N 2.99Å; A339-K342 CarbonylContact O-C 3.58Å; A339-K342 PolarHBondContact O-N 3.44Å
343S95.6Very high91.2Very high3 Ų358.1 Ų58.12%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-126140.8-179.3-61.20000110.1I305 A339 G392 G393I305-S343 CarbonylContact O-C 3.6Å; I305-S343 WeakPolarHBondContact O-CA 3.27Å; A339-S343 WeakPolarHBondContact O-CB 3.33Å; A339-S343 PolarHBondContact O-N 3.25Å; A339-S343 PolarHBondContact O-OG 3.14Å; S343-G392 CarbonylContact O-C 3.5Å; S343-G392 WeakPolarHBondContact O-CA 3.29Å; S343-G393 PolarHBondContact O-N 2.82Å
344V96.3Very high91.2Very high12 Ų1257.5 Ų57.57%0.07326%0.262CS..EExtended strand (participates in β ladder)trans-130.6122.7-176-177.80000108.6L304 I305 F306 Y307 S346 F395L304-V344 HydrophobicContact CB-CG2 4.4Å; L304-V344 HydrophobicContact CD1-CG2 4.29Å; I305-V344 PolarHBondContact O-N 3.13Å; F306-V344 WeakPolarHBondContact CA-O 3.29Å; F306-V344 HydrophobicContact CD1-CB 4.1Å; F306-V344 HydrophobicContact CD1-CG1 3.92Å; F306-V344 HydrophobicContact CD2-CB 4.33Å; F306-V344 HydrophobicContact CE1-CB 4.14Å; F306-V344 HydrophobicContact CE1-CG1 3.7Å; F306-V344 HydrophobicContact CE2-CB 4.33Å; F306-V344 HydrophobicContact CE2-CG2 4.26Å; F306-V344 HydrophobicContact CG-CB 4.2Å; F306-V344 HydrophobicContact CZ-CB 4.24Å; F306-V344 HydrophobicContact CZ-CG1 4.08Å; F306-V344 HydrophobicContact CZ-CG2 4.3Å; Y307-V344 WeakPolarHBondContact CD1-O 3.42Å; Y307-V344 VanDerWaalsContact CE1-C 3.5Å; Y307-V344 WeakPolarHBondContact CE1-O 3.44Å; Y307-V344 PolarHBondContact N-O 2.71Å; V344-S346 PolarHBondContact O-N 2.67Å; V344-F395 HydrophobicContact CG1-CB 3.6Å
345L95.1Very high91.2Very high1 Ų158.6 Ų58.61%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-71.6111.4171.8177.463.8000109Y307 V383 I386 V387 G393 R394 F395Y307-L345 HydrophobicContact CD2-CD1 4.21Å; Y307-L345 HydrophobicContact CE2-CB 4.36Å; Y307-L345 HydrophobicContact CE2-CD1 3.7Å; L345-V383 HydrophobicContact CD2-CG1 4.33Å; L345-I386 HydrophobicContact CD2-CB 4.48Å; L345-I386 HydrophobicContact CD2-CG2 3.9Å; L345-V387 HydrophobicContact CB-CG2 3.96Å; L345-V387 HydrophobicContact CD2-CG2 3.86Å; L345-G393 PolarHBondContact N-O 3.32Å; L345-R394 WeakPolarHBondContact O-CA 3.41Å; L345-F395 PolarHBondContact O-N 3.22Å
346S95Very high91.2Very high11 Ų1158.2 Ų58.28%0.07727%0.274CS..EExtended strand (participates in β ladder)trans-81.1134.1168.8-147.30000109Y307 E308 V344 F395 T397Y307-S346 WeakPolarHBondContact O-CB 3.48Å; Y307-S346 PolarHBondContact O-N 3.47Å; E308-S346 WeakPolarHBondContact CA-O 3.44Å; E308-S346 WeakPolarHBondContact CG-O 3.33Å; V344-S346 PolarHBondContact O-N 2.67Å; S346-F395 WeakPolarHBondContact CA-O 3.13Å; S346-T397 WeakPolarHBondContact OG-CB 3.27Å; S346-T397 WeakPolarHBondContact OG-CG2 3.49Å; S346-T397 PolarHBondContact OG-OG1 2.93Å
347Y94.2Very high91.2Very high1 Ų156.5 Ų56.50%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-153160175.471.2-79.9000112.2I314 T379 F380 V383 R394 F395 L396 T397 E428I314-Y347 HydrophobicContact CD1-CD2 4.27Å; Y347-T379 HydrophobicContact CD2-CG2 4.48Å; Y347-T379 HydrophobicContact CE2-CG2 4.23Å; Y347-F380 WeakPolarHBondContact OH-CE1 3.48Å; Y347-V383 HydrophobicContact CD1-CG1 3.91Å; Y347-V383 HydrophobicContact CD1-CG2 4.17Å; Y347-V383 HydrophobicContact CD2-CG2 3.8Å; Y347-V383 HydrophobicContact CE1-CB 4.44Å; Y347-V383 HydrophobicContact CE1-CG1 3.6Å; Y347-V383 HydrophobicContact CE1-CG2 4.21Å; Y347-V383 HydrophobicContact CE2-CG2 3.83Å; Y347-V383 HydrophobicContact CG-CG2 3.96Å; Y347-R394 HydrophobicContact CE1-CB 4.45Å; Y347-F395 WeakPolarHBondContact CD1-O 3.43Å; Y347-F395 PolarHBondContact N-O 2.84Å; Y347-L396 HydrophobicContact CD2-CD1 3.93Å; Y347-L396 HydrophobicContact CE1-CB 4.24Å; Y347-L396 HydrophobicContact CE2-CB 4.35Å; Y347-L396 HydrophobicContact CE2-CD1 3.56Å; Y347-L396 WeakPolarHBondContact O-CA 3.23Å; Y347-T397 PolarHBondContact O-N 2.94Å; Y347-T397 PolarHBondContact O-OG1 2.89Å; Y347-E428 WeakPolarHBondContact CE1-OE1 3.49Å; Y347-E428 VanDerWaalsContact OH-CG 3.28Å; Y347-E428 WeakPolarHBondContact OH-CG 3.37Å; Y347-E428 PolarHBondContact OH-OE1 2.54Å; Y347-E428 PolarHBondContact OH-OE2 2.96Å
348H93.5Very high91.2Very high13 Ų1351.6 Ų51.66%0.0625%0.249CC..EExtended strand (participates in β ladder)trans-115.9150.9-177.1-51.6165.2000111.7E308 T311 I314 Y350 T397 E398E308-H348 IonicContact OE1-CE1 3.08Å; E308-H348 PolarHBondContact OE1-CE1 2.99Å; E308-H348 IonicContact OE1-ND1 2.97Å; E308-H348 IonicContact OE1-NE2 3.45Å; E308-H348 IonicContact OE2-CE1 3.47Å; E308-H348 IonicContact OE2-NE2 3.91Å; T311-H348 HydrophobicContact CG2-CB 4.18Å; I314-H348 WeakPolarHBondContact CD1-O 3.37Å; H348-Y350 HydrophobicContact CB-CD2 4.27Å; H348-Y350 HydrophobicContact CB-CE2 3.86Å; H348-T397 PolarHBondContact CD2-OG1 2.84Å; H348-T397 PolarHBondContact NE2-OG1 3.05Å; H348-E398 CarbonylContact C-O 3.43Å; H348-E398 WeakPolarHBondContact CA-O 3.46Å; H348-E398 HydrophobicContact CB-CB 3.97Å; H348-E398 VanDerWaalsContact CD2-CB 3.45Å; H348-E398 WeakPolarHBondContact CD2-CB 3.22Å; H348-E398 VanDerWaalsContact CD2-CG 3.48Å; H348-E398 WeakPolarHBondContact CD2-CG 3.38Å; H348-E398 PolarHBondContact CD2-N 2.74Å; H348-E398 IonicContact CE1-OE1 3.63Å; H348-E398 PolarHBondContact CE1-OE1 3.41Å; H348-E398 IonicContact CE1-OE2 3.71Å; H348-E398 PolarHBondContact CE1-OE2 2.94Å; H348-E398 IonicContact CG-OE2 3.57Å; H348-E398 IonicContact ND1-OE2 3.31Å; H348-E398 PolarHBondContact ND1-OE2 2.62Å; H348-E398 WeakPolarHBondContact NE2-CG 3.12Å; H348-E398 IonicContact NE2-OE1 3.21Å; H348-E398 IonicContact NE2-OE2 3.57Å
349Y93Very high91Very high0 Ų049.2 Ų49.20%024%0.243CC..EExtended strand (participates in β ladder)trans-128.1124.6173.7174.8-94.4000112.2Y315 C371 L375 L376 T379 E398 F399 G400 E415 V419Y315-Y349 HydrophobicContact CE1-CD2 4.28Å; Y349-C371 PolarHBondContact OH-O 3.27Å; Y349-L375 HydrophobicContact CE2-CD2 4.22Å; Y349-L375 HydrophobicContact CE2-CG 4.08Å; Y349-L376 HydrophobicContact CD1-CD1 3.81Å; Y349-L376 HydrophobicContact CD2-CD1 4.04Å; Y349-L376 HydrophobicContact CE1-CD1 3.55Å; Y349-L376 HydrophobicContact CE2-CB 4.1Å; Y349-L376 HydrophobicContact CE2-CD1 3.78Å; Y349-L376 HydrophobicContact CG-CD1 4.05Å; Y349-T379 HydrophobicContact CD2-CG2 4.1Å; Y349-E398 PolarHBondContact N-O 2.86Å; Y349-F399 CarbonylContact O-C 3.41Å; Y349-F399 WeakPolarHBondContact O-CA 3.16Å; Y349-G400 PolarHBondContact O-N 3.39Å; Y349-E415 WeakPolarHBondContact CE1-OE1 3.27Å; Y349-V419 HydrophobicContact CD1-CG1 4.41Å; Y349-V419 HydrophobicContact CD1-CG2 3.65Å; Y349-V419 HydrophobicContact CE1-CG2 3.58Å
350Y90.3Very high90.8Very high53 Ų5353.4 Ų53.421%0.20827%0.268CS..  trans-137.9124.8174.1-66.9-91.8000109.4Y315 H348 W352 E398 G400 W433Y315-Y350 PolarHBondContact OH-N 2.79Å; H348-Y350 HydrophobicContact CB-CD2 4.27Å; H348-Y350 HydrophobicContact CB-CE2 3.86Å; Y350-W352 PolarHBondContact O-N 3.46Å; Y350-E398 HydrophobicContact CE2-CB 4.41Å; Y350-E398 PolarHBondContact OH-OE2 2.98Å; Y350-G400 VanDerWaalsContact CE1-C 3.49Å; Y350-G400 WeakPolarHBondContact CE1-O 3.22Å; Y350-W433 PolarHBondContact OH-NE1 2.83Å
351C91.5Very high90.7Very high6 Ų652 Ų524%0.04127%0.267CS..  trans-7795.6165.9-1640000110.3L353 L354 C371 L375 E415C351-L353 PolarHBondContact O-N 3.17Å; C351-L354 HydrophobicContact CB-CD1 3.82Å; C351-L354 HydrophobicContact CB-CG 3.94Å; C351-L354 WeakPolarHBondContact O-CB 3.09Å; C351-L354 PolarHBondContact O-N 2.66Å; C351-C371 HydrophobicContact CB-CB 3.72Å; C351-C371 WeakPolarHBondContact CB-SG 3.43Å; C351-C371 VanDerWaalsContact SG-CA 3.57Å; C351-C371 WeakPolarHBondContact SG-CB 3.49Å; C351-C371 CovalentContact SG-SG 2.03Å; C351-C371 PolarHBondContact SG-SG 2.92Å; C351-L375 HydrophobicContact CB-CD2 4.44Å; C351-E415 WeakPolarHBondContact CB-OE1 3.44Å
352W87.7Confident90.8Very high175 Ų17549.4 Ų49.466%0.66326%0.257SS*.G310 helixtrans-54.3-25.7178.865.7-65.9000114.3Y350 L354 Q355Y350-W352 PolarHBondContact O-N 3.46Å; W352-L354 PolarHBondContact O-N 2.97Å; W352-Q355 PolarHBondContact O-N 3.24Å
353L89.5Confident90.7Very high37 Ų3747.9 Ų47.919%0.19425%0.25CS..G310 helixtrans-63.9-19.9174.8-61.6175.3000113.7C351 K367 L370C351-L353 PolarHBondContact O-N 3.17Å; L353-K367 WeakPolarHBondContact O-CE 3.43Å; L353-K367 PolarHBondContact O-NZ 3.38Å; L353-L370 HydrophobicContact CD1-CB 3.58Å; L353-L370 HydrophobicContact CD1-CD1 3.6Å; L353-L370 HydrophobicContact CD1-CG 4.25Å
354L89.4Confident90.6Very high18 Ų1849.5 Ų49.59%0.09426%0.261CS..G310 helixtrans-90.7-16.6-179.2-54.8178.9000112.6C351 W352 S356 T357 M363 K367 I411 E415C351-L354 HydrophobicContact CB-CD1 3.82Å; C351-L354 HydrophobicContact CB-CG 3.94Å; C351-L354 WeakPolarHBondContact O-CB 3.09Å; C351-L354 PolarHBondContact O-N 2.66Å; W352-L354 PolarHBondContact O-N 2.97Å; L354-S356 PolarHBondContact O-N 3.41Å; L354-S356 VanDerWaalsContact O-N 3.12Å; L354-T357 PolarHBondContact O-N 3.15Å; L354-T357 VanDerWaalsContact O-N 3.14Å; L354-M363 HydrophobicContact CD1-CE 3.88Å; L354-M363 HydrophobicContact CD2-CE 3.74Å; L354-M363 HydrophobicContact CD2-SD 3.55Å; L354-M363 VanDerWaalsContact CD2-SD 3.55Å; L354-M363 HydrophobicContact CG-CE 4.45Å; L354-K367 HydrophobicContact CD2-CB 4.24Å; L354-K367 HydrophobicContact CD2-CD 4.11Å; L354-I411 HydrophobicContact CB-CG2 4.27Å; L354-I411 HydrophobicContact CD1-CG2 4.04Å; L354-I411 HydrophobicContact CD2-CG2 4.12Å; L354-I411 HydrophobicContact CG-CG2 4.36Å; L354-E415 HydrophobicContact CD1-CB 4.02Å; L354-E415 VanDerWaalsContact CD1-CD 3.44Å; L354-E415 HydrophobicContact CD1-CG 3.81Å; L354-E415 WeakPolarHBondContact CD1-OE2 3.48Å
355Q83.9Confident90.5Very high143 Ų14353.2 Ų53.267%0.66829%0.287SS*.THydrogen-bonded Turntrans-63.7-22.1-176.7-67.7179.7-9.500113.5W352W352-Q355 PolarHBondContact O-N 3.24Å
356S83.6Confident90.5Very high102 Ų10260.4 Ų60.471%0.71331%0.314SS*.THydrogen-bonded Turntrans-93.91.9-179.1790000114.1L354L354-S356 PolarHBondContact O-N 3.41Å; L354-S356 VanDerWaalsContact O-N 3.12Å
357T85.2Confident90.4Very high27 Ų2760.6 Ų60.617%0.16631%0.314CS..SBendtrans-123.9134.1-176.2-59.70000109.4L354 A359 E361 K367 I411L354-T357 PolarHBondContact O-N 3.15Å; L354-T357 VanDerWaalsContact O-N 3.14Å; T357-A359 PolarHBondContact O-N 2.89Å; T357-E361 HydrophobicContact CG2-CB 4.23Å; T357-E361 WeakPolarHBondContact CG2-OE2 3.18Å; T357-K367 PolarHBondContact OG1-NZ 3.34Å; T357-I411 HydrophobicContact CG2-CD1 3.32Å
358P87.6Confident90.4Very high70 Ų7064 Ų6446%0.45533%0.33SS..  trans-54.9131.9175.1-24.734.5000111.3T360 E361P358-T360 PolarHBondContact O-N 3.33Å; P358-T360 VanDerWaalsContact O-N 3.14Å; P358-E361 HydrophobicContact CB-CG 4.13Å; P358-E361 WeakPolarHBondContact CD-OE1 3.32Å; P358-E361 HydrophobicContact CG-CG 4.42Å; P358-E361 WeakPolarHBondContact CG-OE1 3.48Å; P358-E361 WeakPolarHBondContact O-CB 3.11Å; P358-E361 PolarHBondContact O-N 3.41Å; P358-E361 VanDerWaalsContact O-N 3.09Å
359A86.4Confident90.5Very high35 Ų3569.9 Ų69.929%0.28935%0.352SS..THydrogen-bonded Turntrans-68.3-16.4-170.300000114.2T357 I411 N412T357-A359 PolarHBondContact O-N 2.89Å; A359-I411 WeakPolarHBondContact O-CB 3.44Å; A359-I411 PolarHBondContact O-N 2.91Å; A359-N412 VanDerWaalsContact CB-OD1 3.31Å; A359-N412 WeakPolarHBondContact CB-OD1 3.35Å; A359-N412 WeakPolarHBondContact O-CB 3.5Å; A359-N412 PolarHBondContact O-N 3.07Å
360T88Confident90.6Very high92 Ų9272.8 Ų72.856%0.56437%0.367SS*.THydrogen-bonded Turntrans-85-9.3176.153.80000113.7P358P358-T360 PolarHBondContact O-N 3.33Å; P358-T360 VanDerWaalsContact O-N 3.14Å
361E92Very high90.8Very high100 Ų10070.2 Ų70.247%0.46736%0.358SS..SBendtrans-75.1159177.3-73.8-177.7-166.200112.1T357 P358 M363 S410 I411T357-E361 HydrophobicContact CG2-CB 4.23Å; T357-E361 WeakPolarHBondContact CG2-OE2 3.18Å; P358-E361 HydrophobicContact CB-CG 4.13Å; P358-E361 WeakPolarHBondContact CD-OE1 3.32Å; P358-E361 HydrophobicContact CG-CG 4.42Å; P358-E361 WeakPolarHBondContact CG-OE1 3.48Å; P358-E361 WeakPolarHBondContact O-CB 3.11Å; P358-E361 PolarHBondContact O-N 3.41Å; P358-E361 VanDerWaalsContact O-N 3.09Å; E361-M363 PolarHBondContact O-N 2.9Å; E361-S410 CarbonylContact O-C 3.44Å; E361-S410 WeakPolarHBondContact O-CA 3.41Å; E361-I411 HydrophobicContact CB-CD1 4.43Å; E361-I411 WeakPolarHBondContact O-CG1 3.22Å; E361-I411 PolarHBondContact O-N 3.48Å
362H93.7Very high90.9Very high103 Ų10370.5 Ų70.548%0.47736%0.359SS..BIsolated β-bridgetrans-61.5129174.8176.4-71.4000111P364 E409H362-P364 WeakPolarHBondContact O-CD 3.39Å; H362-E409 WeakPolarHBondContact CA-O 3.17Å; H362-E409 IonicContact CD2-OE2 3.58Å; H362-E409 PolarHBondContact CD2-OE2 2.81Å; H362-E409 IonicContact NE2-OE2 3.84Å
363M93.5Very high91.2Very high3 Ų367.3 Ų67.32%0.01535%0.351CS..  trans-63.7114.7178.5177.967.311500111.4L354 E361 S365 K367 Q368 E409 I411 V414L354-M363 HydrophobicContact CD1-CE 3.88Å; L354-M363 HydrophobicContact CD2-CE 3.74Å; L354-M363 HydrophobicContact CD2-SD 3.55Å; L354-M363 VanDerWaalsContact CD2-SD 3.55Å; L354-M363 HydrophobicContact CG-CE 4.45Å; E361-M363 PolarHBondContact O-N 2.9Å; M363-S365 PolarHBondContact O-N 2.85Å; M363-K367 HydrophobicContact SD-CB 4.12Å; M363-Q368 HydrophobicContact CE-CB 4.39Å; M363-Q368 HydrophobicContact CG-CB 3.68Å; M363-Q368 HydrophobicContact CG-CG 4.16Å; M363-Q368 HydrophobicContact SD-CB 4.36Å; M363-E409 PolarHBondContact N-O 2.89Å; M363-I411 HydrophobicContact CB-CG1 3.95Å; M363-I411 HydrophobicContact SD-CG1 3.92Å; M363-V414 HydrophobicContact CB-CB 4.18Å; M363-V414 HydrophobicContact CB-CG1 4.25Å; M363-V414 HydrophobicContact CB-CG2 4.16Å; M363-V414 HydrophobicContact CE-CG1 4.12Å; M363-V414 HydrophobicContact CG-CB 4.41Å; M363-V414 HydrophobicContact CG-CG1 3.99Å
364P93.1Very high91.4Very high38 Ų3869.5 Ų69.525%0.24736%0.363CS..  trans-64.1131.2176.9-20.633.6000110.6H362 W366 K367 Q368H362-P364 WeakPolarHBondContact O-CD 3.39Å; P364-W366 PolarHBondContact O-N 2.66Å; P364-K367 HydrophobicContact CB-CB 4.37Å; P364-K367 HydrophobicContact CB-CG 4.23Å; P364-K367 HydrophobicContact CG-CD 4.13Å; P364-K367 HydrophobicContact CG-CG 4.3Å; P364-K367 WeakPolarHBondContact O-CA 3.21Å; P364-K367 WeakPolarHBondContact O-CB 3.47Å; P364-K367 PolarHBondContact O-N 3.41Å; P364-Q368 PolarHBondContact O-N 3.31Å
365S94Very high91.5Very high89 Ų8970.3 Ų70.362%0.62237%0.367SS*.Hα-helixtrans-56.4-33.4-173.6-46.80000113.8M363 Y369M363-S365 PolarHBondContact O-N 2.85Å; S365-Y369 WeakPolarHBondContact O-CB 3.49Å; S365-Y369 PolarHBondContact O-N 2.89Å
366W94.7Very high92Very high152 Ų15263.6 Ų63.658%0.57634%0.335SS*.Hα-helixtrans-71.1-36.2176.572.2-94.1000112.4P364 L370P364-W366 PolarHBondContact O-N 2.66Å; W366-L370 HydrophobicContact CE3-CD1 3.66Å; W366-L370 HydrophobicContact CZ3-CD1 3.75Å; W366-L370 VanDerWaalsContact O-CG 3.32Å; W366-L370 WeakPolarHBondContact O-CG 3.1Å; W366-L370 PolarHBondContact O-N 2.98Å; W366-L370 VanDerWaalsContact O-N 3.13Å
367K93.9Very high92.5Very high15 Ų1561.4 Ų61.47%0.06532%0.316CS..Hα-helixtrans-67.8-45.3173.9-70.6-164.7178.6-165.60110.1L353 L354 T357 M363 P364 Y369 L370 C371L353-K367 WeakPolarHBondContact O-CE 3.43Å; L353-K367 PolarHBondContact O-NZ 3.38Å; L354-K367 HydrophobicContact CD2-CB 4.24Å; L354-K367 HydrophobicContact CD2-CD 4.11Å; T357-K367 PolarHBondContact OG1-NZ 3.34Å; M363-K367 HydrophobicContact SD-CB 4.12Å; P364-K367 HydrophobicContact CB-CB 4.37Å; P364-K367 HydrophobicContact CB-CG 4.23Å; P364-K367 HydrophobicContact CG-CD 4.13Å; P364-K367 HydrophobicContact CG-CG 4.3Å; P364-K367 WeakPolarHBondContact O-CA 3.21Å; P364-K367 WeakPolarHBondContact O-CB 3.47Å; P364-K367 PolarHBondContact O-N 3.41Å; K367-Y369 VanDerWaalsContact C-N 3.31Å; K367-Y369 PolarHBondContact O-N 3.2Å; K367-L370 PolarHBondContact O-N 3.25Å; K367-L370 VanDerWaalsContact O-N 3.16Å; K367-C371 WeakPolarHBondContact O-CB 3.36Å; K367-C371 PolarHBondContact O-N 2.66Å; K367-C371 PolarHBondContact O-SG 3.03Å
368Q94.3Very high92.9Very high73 Ų7364.3 Ų64.334%0.34132%0.324SS..Hα-helixtrans-54-48.5175-168.1179.84.100111.6M363 P364 L370 C371 D372 V414M363-Q368 HydrophobicContact CE-CB 4.39Å; M363-Q368 HydrophobicContact CG-CB 3.68Å; M363-Q368 HydrophobicContact CG-CG 4.16Å; M363-Q368 HydrophobicContact SD-CB 4.36Å; P364-Q368 PolarHBondContact O-N 3.31Å; Q368-L370 PolarHBondContact O-N 3.42Å; Q368-C371 PolarHBondContact O-N 3.21Å; Q368-D372 WeakPolarHBondContact CG-OD2 3.34Å; Q368-D372 PolarHBondContact NE2-OD2 2.88Å; Q368-D372 VanDerWaalsContact O-CB 3.23Å; Q368-D372 WeakPolarHBondContact O-CB 3.46Å; Q368-D372 VanDerWaalsContact O-CG 3.3Å; Q368-D372 PolarHBondContact O-N 3.05Å; Q368-V414 HydrophobicContact CG-CG1 4.11Å
369Y95.5Very high93.2Very high136 Ų13661 Ų6153%0.53330%0.303SS..Iπ-helixtrans-60.1-45.8177.8179.2-96.5000112.2S365 K367 Q373 L374S365-Y369 WeakPolarHBondContact O-CB 3.49Å; S365-Y369 PolarHBondContact O-N 2.89Å; K367-Y369 VanDerWaalsContact C-N 3.31Å; K367-Y369 PolarHBondContact O-N 3.2Å; Y369-Q373 HydrophobicContact CD2-CB 3.94Å; Y369-Q373 HydrophobicContact CD2-CG 3.86Å; Y369-Q373 HydrophobicContact CE2-CB 3.98Å; Y369-Q373 HydrophobicContact CE2-CG 4.21Å; Y369-Q373 WeakPolarHBondContact O-CA 3.39Å; Y369-Q373 VanDerWaalsContact O-CB 3.28Å; Y369-Q373 WeakPolarHBondContact O-CB 3.33Å; Y369-Q373 PolarHBondContact O-N 3.15Å; Y369-L374 HydrophobicContact CD1-CD1 4.34Å; Y369-L374 HydrophobicContact CE1-CD1 3.85Å; Y369-L374 HydrophobicContact CE1-CG 4.09Å; Y369-L374 PolarHBondContact O-N 2.87Å
370L94.8Very high93.6Very high61 Ų6159.3 Ų59.332%0.31929%0.289SS..Iπ-helixtrans-66.1-41.8179.4-67.9179000112.6L353 W366 K367 Q368 L374 L375L353-L370 HydrophobicContact CD1-CB 3.58Å; L353-L370 HydrophobicContact CD1-CD1 3.6Å; L353-L370 HydrophobicContact CD1-CG 4.25Å; W366-L370 HydrophobicContact CE3-CD1 3.66Å; W366-L370 HydrophobicContact CZ3-CD1 3.75Å; W366-L370 VanDerWaalsContact O-CG 3.32Å; W366-L370 WeakPolarHBondContact O-CG 3.1Å; W366-L370 PolarHBondContact O-N 2.98Å; W366-L370 VanDerWaalsContact O-N 3.13Å; K367-L370 PolarHBondContact O-N 3.25Å; K367-L370 VanDerWaalsContact O-N 3.16Å; Q368-L370 PolarHBondContact O-N 3.42Å; L370-L374 HydrophobicContact CD2-CD1 3.66Å; L370-L374 WeakPolarHBondContact O-CB 3.21Å; L370-L375 WeakPolarHBondContact O-CB 3.37Å; L370-L375 PolarHBondContact O-N 3.06Å
371C94.1Very high93.8Very high0 Ų062.6 Ų62.60%030%0.296CS..Iπ-helixtrans-70.3-59.5178.1-62.40000110.7Y349 C351 K367 Q368 L375 L376Y349-C371 PolarHBondContact OH-O 3.27Å; C351-C371 HydrophobicContact CB-CB 3.72Å; C351-C371 WeakPolarHBondContact CB-SG 3.43Å; C351-C371 VanDerWaalsContact SG-CA 3.57Å; C351-C371 WeakPolarHBondContact SG-CB 3.49Å; C351-C371 CovalentContact SG-SG 2.03Å; C351-C371 PolarHBondContact SG-SG 2.92Å; K367-C371 WeakPolarHBondContact O-CB 3.36Å; K367-C371 PolarHBondContact O-N 2.66Å; K367-C371 PolarHBondContact O-SG 3.03Å; Q368-C371 PolarHBondContact O-N 3.21Å; C371-L375 PolarHBondContact O-N 3.47Å; C371-L376 WeakPolarHBondContact O-CB 3.33Å; C371-L376 PolarHBondContact O-N 3.19Å
372D94.1Very high93.8Very high12 Ų1258.5 Ų58.56%0.06428%0.277CS..Iπ-helixtrans-76.5-44.5-167.9-590.1000112.5Q368 A418Q368-D372 WeakPolarHBondContact CG-OD2 3.34Å; Q368-D372 PolarHBondContact NE2-OD2 2.88Å; Q368-D372 VanDerWaalsContact O-CB 3.23Å; Q368-D372 WeakPolarHBondContact O-CB 3.46Å; Q368-D372 VanDerWaalsContact O-CG 3.3Å; Q368-D372 PolarHBondContact O-N 3.05Å; D372-A418 HydrophobicContact CB-CB 4.37Å; D372-A418 WeakPolarHBondContact OD1-CB 3.46Å
373Q93.5Very high93.8Very high107 Ų10753.6 Ų53.650%0.525%0.254SS..Iπ-helixtrans-90.9-29.6-170.2-57.2-58.7-35.700112.6Y369 N377Y369-Q373 HydrophobicContact CD2-CB 3.94Å; Y369-Q373 HydrophobicContact CD2-CG 3.86Å; Y369-Q373 HydrophobicContact CE2-CB 3.98Å; Y369-Q373 HydrophobicContact CE2-CG 4.21Å; Y369-Q373 WeakPolarHBondContact O-CA 3.39Å; Y369-Q373 VanDerWaalsContact O-CB 3.28Å; Y369-Q373 WeakPolarHBondContact O-CB 3.33Å; Y369-Q373 PolarHBondContact O-N 3.15Å; Q373-N377 PolarHBondContact O-ND2 3.11Å
374L93.7Very high93.7Very high84 Ų8459.7 Ų59.744%0.4428%0.277SS..Iπ-helixtrans-104.6-68.5-178.7-62.2178.7000112.2Y369 L370 Y378Y369-L374 HydrophobicContact CD1-CD1 4.34Å; Y369-L374 HydrophobicContact CE1-CD1 3.85Å; Y369-L374 HydrophobicContact CE1-CG 4.09Å; Y369-L374 PolarHBondContact O-N 2.87Å; L370-L374 HydrophobicContact CD2-CD1 3.66Å; L370-L374 WeakPolarHBondContact O-CB 3.21Å; L374-Y378 WeakPolarHBondContact O-CB 3.06Å; L374-Y378 PolarHBondContact O-N 2.91Å
375L92.7Very high93.7Very high35 Ų3560.1 Ų60.118%0.18328%0.281CS..Iπ-helixtrans-65-50-169.6-171.367.3000111.8Y315 Y349 C351 L370 C371 Y378 T379Y315-L375 HydrophobicContact CD1-CD1 3.82Å; Y315-L375 HydrophobicContact CD1-CG 4.46Å; Y315-L375 HydrophobicContact CE1-CD1 4.07Å; Y315-L375 HydrophobicContact CE1-CD2 4.44Å; Y315-L375 HydrophobicContact CE1-CG 4.23Å; Y349-L375 HydrophobicContact CE2-CD2 4.22Å; Y349-L375 HydrophobicContact CE2-CG 4.08Å; C351-L375 HydrophobicContact CB-CD2 4.44Å; L370-L375 WeakPolarHBondContact O-CB 3.37Å; L370-L375 PolarHBondContact O-N 3.06Å; C371-L375 PolarHBondContact O-N 3.47Å; L375-Y378 PolarHBondContact O-N 3.14Å; L375-T379 WeakPolarHBondContact O-CB 3.47Å; L375-T379 PolarHBondContact O-N 3.32Å; L375-T379 PolarHBondContact O-OG1 3.44Å; L375-T379 VanDerWaalsContact O-OG1 3.07Å
376L94.1Very high93.5Very high1 Ų155.9 Ų55.91%0.00525%0.251CS..Iπ-helixtrans-59.6-54.5179.4-173.865.5000111.5Y349 C371 Y378 T379 F380 A418 V419 A422Y349-L376 HydrophobicContact CD1-CD1 3.81Å; Y349-L376 HydrophobicContact CD2-CD1 4.04Å; Y349-L376 HydrophobicContact CE1-CD1 3.55Å; Y349-L376 HydrophobicContact CE2-CB 4.1Å; Y349-L376 HydrophobicContact CE2-CD1 3.78Å; Y349-L376 HydrophobicContact CG-CD1 4.05Å; C371-L376 WeakPolarHBondContact O-CB 3.33Å; C371-L376 PolarHBondContact O-N 3.19Å; L376-Y378 VanDerWaalsContact C-N 3.27Å; L376-Y378 PolarHBondContact O-N 3.45Å; L376-T379 PolarHBondContact O-N 3.47Å; L376-T379 VanDerWaalsContact O-N 3.16Å; L376-F380 HydrophobicContact CD1-CD2 3.88Å; L376-F380 HydrophobicContact CD1-CE2 3.51Å; L376-F380 HydrophobicContact CG-CD2 4.15Å; L376-F380 HydrophobicContact CG-CE2 4.14Å; L376-F380 WeakPolarHBondContact O-CD2 3.17Å; L376-F380 PolarHBondContact O-N 3.34Å; L376-A418 HydrophobicContact CD2-CB 4.37Å; L376-V419 HydrophobicContact CD1-CG2 4.07Å; L376-A422 HydrophobicContact CD1-CB 4.24Å; L376-A422 HydrophobicContact CD2-CB 3.54Å; L376-A422 HydrophobicContact CG-CB 3.79Å
377N94.2Very high93.4Very high57 Ų5749.6 Ų49.631%0.30523%0.229SC..Hα-helixtrans-59.2-39.9178.6-76.3-27.6000112.1Q373 K381Q373-N377 PolarHBondContact O-ND2 3.11Å; N377-K381 VanDerWaalsContact O-CB 3.28Å; N377-K381 WeakPolarHBondContact O-CB 3.21Å; N377-K381 PolarHBondContact O-N 3.18Å
378Y93.3Very high93.3Very high87 Ų8755.4 Ų55.434%0.34126%0.257SS..Hα-helixtrans-62.4-48.7175.1176.2-89.2000111.3Y315 L374 L375 L376 F380 K381 N382Y315-Y378 WeakPolarHBondContact O-CE1 3.37Å; Y315-Y378 PolarHBondContact O-OH 3.09Å; L374-Y378 WeakPolarHBondContact O-CB 3.06Å; L374-Y378 PolarHBondContact O-N 2.91Å; L375-Y378 PolarHBondContact O-N 3.14Å; L376-Y378 VanDerWaalsContact C-N 3.27Å; L376-Y378 PolarHBondContact O-N 3.45Å; Y378-F380 PolarHBondContact O-N 2.74Å; Y378-K381 PolarHBondContact O-N 3.43Å; Y378-N382 HydrophobicContact CE1-CB 4.33Å; Y378-N382 WeakPolarHBondContact O-CB 3.33Å; Y378-N382 PolarHBondContact O-N 3.39Å
379T93Very high92.9Very high0 Ų054.7 Ų54.70%026%0.26CS..Hα-helixtrans-57.5-51.4179.4-66.70000111.7I314 Y315 Y347 Y349 L375 L376 K381 N382 V383I314-T379 HydrophobicContact CD1-CG2 3.51Å; Y315-T379 WeakPolarHBondContact CD1-OG1 3.15Å; Y315-T379 VanDerWaalsContact CE1-OG1 3.29Å; Y315-T379 WeakPolarHBondContact CE1-OG1 3.26Å; Y347-T379 HydrophobicContact CD2-CG2 4.48Å; Y347-T379 HydrophobicContact CE2-CG2 4.23Å; Y349-T379 HydrophobicContact CD2-CG2 4.1Å; L375-T379 WeakPolarHBondContact O-CB 3.47Å; L375-T379 PolarHBondContact O-N 3.32Å; L375-T379 PolarHBondContact O-OG1 3.44Å; L375-T379 VanDerWaalsContact O-OG1 3.07Å; L376-T379 PolarHBondContact O-N 3.47Å; L376-T379 VanDerWaalsContact O-N 3.16Å; T379-K381 VanDerWaalsContact C-N 3.33Å; T379-K381 PolarHBondContact O-N 2.05Å; T379-N382 PolarHBondContact O-N 3.06Å; T379-N382 VanDerWaalsContact O-N 3.15Å; T379-V383 HydrophobicContact CG2-CG2 4.35Å; T379-V383 WeakPolarHBondContact O-CG2 3.36Å; T379-V383 PolarHBondContact O-N 3.47Å
380F94.3Very high92.6Very high1 Ų148.3 Ų48.30%0.00424%0.235CC..Hα-helixtrans-61.4-40.9179-86.3-87000112.8Y347 L376 Y378 N382 R384 L396 A422 A423 N426 E428Y347-F380 WeakPolarHBondContact OH-CE1 3.48Å; L376-F380 HydrophobicContact CD1-CD2 3.88Å; L376-F380 HydrophobicContact CD1-CE2 3.51Å; L376-F380 HydrophobicContact CG-CD2 4.15Å; L376-F380 HydrophobicContact CG-CE2 4.14Å; L376-F380 WeakPolarHBondContact O-CD2 3.17Å; L376-F380 PolarHBondContact O-N 3.34Å; Y378-F380 PolarHBondContact O-N 2.74Å; F380-N382 VanDerWaalsContact C-N 3.34Å; F380-R384 WeakPolarHBondContact O-CB 3.3Å; F380-R384 PolarHBondContact O-N 3.45Å; F380-L396 HydrophobicContact CZ-CD2 4.31Å; F380-A422 HydrophobicContact CD2-CB 4.16Å; F380-A422 HydrophobicContact CE2-CB 3.82Å; F380-A422 HydrophobicContact CZ-CB 4.25Å; F380-A423 HydrophobicContact CE1-CB 4.49Å; F380-A423 HydrophobicContact CZ-CB 4.22Å; F380-N426 HydrophobicContact CD1-CB 3.57Å; F380-N426 HydrophobicContact CE1-CB 4.01Å; F380-N426 HydrophobicContact CG-CB 4.43Å; F380-E428 HydrophobicContact CD1-CB 4.4Å; F380-E428 HydrophobicContact CD1-CG 4.49Å; F380-E428 HydrophobicContact CE1-CB 3.59Å; F380-E428 HydrophobicContact CE1-CG 3.68Å; F380-E428 HydrophobicContact CZ-CB 4.49Å; F380-E428 HydrophobicContact CZ-CG 4.48Å
381K93Very high92.3Very high161 Ų16146.3 Ų46.370%0.723%0.229SC*.Hα-helixtrans-63.5-41.9175.1-176.4-179.9178-177.50111.3N377 Y378 T379 R384 S385N377-K381 VanDerWaalsContact O-CB 3.28Å; N377-K381 WeakPolarHBondContact O-CB 3.21Å; N377-K381 PolarHBondContact O-N 3.18Å; Y378-K381 PolarHBondContact O-N 3.43Å; T379-K381 VanDerWaalsContact C-N 3.33Å; T379-K381 PolarHBondContact O-N 2.05Å; K381-R384 WeakPolarHBondContact O-CB 3.27Å; K381-R384 PolarHBondContact O-N 3.09Å; K381-S385 PolarHBondContact O-N 3.35Å
382N92Very high92.3Very high13 Ų1347.4 Ų47.47%0.0724%0.241CC..Hα-helixtrans-68.5-48.9-178.7-161.735.6000111.1I314 F316 Y378 T379 F380 R384 S385 I386I314-N382 PolarHBondContact O-ND2 3.3Å; F316-N382 PolarHBondContact O-ND2 2.97Å; Y378-N382 HydrophobicContact CE1-CB 4.33Å; Y378-N382 WeakPolarHBondContact O-CB 3.33Å; Y378-N382 PolarHBondContact O-N 3.39Å; T379-N382 PolarHBondContact O-N 3.06Å; T379-N382 VanDerWaalsContact O-N 3.15Å; F380-N382 VanDerWaalsContact C-N 3.34Å; N382-R384 PolarHBondContact O-N 3.37Å; N382-S385 WeakPolarHBondContact O-CA 3.32Å; N382-S385 WeakPolarHBondContact O-CB 3.42Å; N382-S385 PolarHBondContact O-N 3.12Å; N382-I386 WeakPolarHBondContact O-CD1 3.5Å; N382-I386 WeakPolarHBondContact O-CG1 3.43Å; N382-I386 PolarHBondContact O-N 2.98Å
383V93.4Very high92.3Very high0 Ų048.4 Ų48.40%025%0.253CS..Hα-helixtrans-54.5-42.8174.2170.30000111.1I314 L345 Y347 T379 S385 I386 V387 R394I314-V383 HydrophobicContact CB-CG2 4.23Å; I314-V383 HydrophobicContact CG2-CG2 4.05Å; L345-V383 HydrophobicContact CD2-CG1 4.33Å; Y347-V383 HydrophobicContact CD1-CG1 3.91Å; Y347-V383 HydrophobicContact CD1-CG2 4.17Å; Y347-V383 HydrophobicContact CD2-CG2 3.8Å; Y347-V383 HydrophobicContact CE1-CB 4.44Å; Y347-V383 HydrophobicContact CE1-CG1 3.6Å; Y347-V383 HydrophobicContact CE1-CG2 4.21Å; Y347-V383 HydrophobicContact CE2-CG2 3.83Å; Y347-V383 HydrophobicContact CG-CG2 3.96Å; T379-V383 HydrophobicContact CG2-CG2 4.35Å; T379-V383 WeakPolarHBondContact O-CG2 3.36Å; T379-V383 PolarHBondContact O-N 3.47Å; V383-S385 PolarHBondContact O-N 2.89Å; V383-I386 PolarHBondContact O-N 3.02Å; V383-V387 PolarHBondContact O-N 2.84Å; V383-R394 HydrophobicContact CG1-CB 4.05Å
384R92.6Very high92.4Very high131 Ų13145.6 Ų45.649%0.49424%0.238SC..Hα-helixtrans-59.2-47.7174.9-168.4177.7178.4167.51.6112F380 K381 N382 I386 V387 Q388F380-R384 WeakPolarHBondContact O-CB 3.3Å; F380-R384 PolarHBondContact O-N 3.45Å; K381-R384 WeakPolarHBondContact O-CB 3.27Å; K381-R384 PolarHBondContact O-N 3.09Å; N382-R384 PolarHBondContact O-N 3.37Å; R384-I386 VanDerWaalsContact C-N 3.3Å; R384-I386 PolarHBondContact O-N 3.15Å; R384-V387 PolarHBondContact O-N 3.16Å; R384-Q388 WeakPolarHBondContact O-CB 3.27Å; R384-Q388 VanDerWaalsContact O-CG 3.23Å; R384-Q388 WeakPolarHBondContact O-CG 3.39Å; R384-Q388 PolarHBondContact O-N 3.26Å
385S91.8Very high92.5Very high47 Ų4743.8 Ų43.833%0.32923%0.227SC..Hα-helixtrans-62.1-39.7178.4-169.50000111.7F318 K381 N382 V383 Q388 S389F318-S385 WeakPolarHBondContact CE2-OG 3.36Å; K381-S385 PolarHBondContact O-N 3.35Å; N382-S385 WeakPolarHBondContact O-CA 3.32Å; N382-S385 WeakPolarHBondContact O-CB 3.42Å; N382-S385 PolarHBondContact O-N 3.12Å; V383-S385 PolarHBondContact O-N 2.89Å; S385-Q388 PolarHBondContact O-N 2.94Å; S385-S389 WeakPolarHBondContact O-CB 3.22Å; S385-S389 PolarHBondContact O-N 3.44Å; S385-S389 VanDerWaalsContact O-N 3.07Å
386I90.3Very high92.6Very high1 Ų142.1 Ų42.11%0.00522%0.218CC..Hα-helixtrans-61.1-53.5176.8-64.9160.3000109.8F318 P323 T325 L345 N382 V383 R384 Q388 S389 T390F318-I386 HydrophobicContact CE2-CG1 4Å; F318-I386 HydrophobicContact CZ-CG1 4.24Å; P323-I386 HydrophobicContact CB-CG1 4.16Å; P323-I386 HydrophobicContact CB-CG2 4.3Å; T325-I386 HydrophobicContact CG2-CD1 3.62Å; T325-I386 HydrophobicContact CG2-CG1 4.47Å; T325-I386 HydrophobicContact CG2-CG2 4.27Å; L345-I386 HydrophobicContact CD2-CB 4.48Å; L345-I386 HydrophobicContact CD2-CG2 3.9Å; N382-I386 WeakPolarHBondContact O-CD1 3.5Å; N382-I386 WeakPolarHBondContact O-CG1 3.43Å; N382-I386 PolarHBondContact O-N 2.98Å; V383-I386 PolarHBondContact O-N 3.02Å; R384-I386 VanDerWaalsContact C-N 3.3Å; R384-I386 PolarHBondContact O-N 3.15Å; I386-Q388 VanDerWaalsContact C-N 3.34Å; I386-Q388 PolarHBondContact O-N 3.39Å; I386-S389 CarbonylContact O-C 3.51Å; I386-S389 WeakPolarHBondContact O-CA 3.45Å; I386-S389 VanDerWaalsContact O-CB 3.32Å; I386-S389 WeakPolarHBondContact O-CB 3.47Å; I386-S389 PolarHBondContact O-N 3.06Å; I386-T390 HydrophobicContact CG2-CG2 4.3Å; I386-T390 WeakPolarHBondContact O-CG2 3.34Å; I386-T390 PolarHBondContact O-N 2.84Å; I386-T390 PolarHBondContact O-OG1 3.29Å; I386-T390 VanDerWaalsContact O-OG1 3.12Å
387V92.4Very high92.6Very high19 Ų1943.1 Ų43.112%0.11522%0.224CC..Hα-helixtrans-67.5-32.9-178.8173.40000112.7L345 V383 R384 S389 G391 G392 R394L345-V387 HydrophobicContact CB-CG2 3.96Å; L345-V387 HydrophobicContact CD2-CG2 3.86Å; V383-V387 PolarHBondContact O-N 2.84Å; R384-V387 PolarHBondContact O-N 3.16Å; V387-S389 VanDerWaalsContact C-N 3.25Å; V387-S389 PolarHBondContact O-N 3.12Å; V387-G391 CarbonylContact O-C 3.59Å; V387-G391 VanDerWaalsContact O-CA 3.24Å; V387-G391 WeakPolarHBondContact O-CA 3.27Å; V387-G391 PolarHBondContact O-N 2.93Å; V387-G392 WeakPolarHBondContact CG1-O 3.19Å; V387-R394 HydrophobicContact CG2-CB 4.12Å
388Q90.8Very high92.5Very high137 Ų13743.3 Ų43.364%0.6422%0.223SC*.Hα-helixtrans-60.5-37.1170.6-78174.2-22.400112.1R384 S385 I386R384-Q388 WeakPolarHBondContact O-CB 3.27Å; R384-Q388 VanDerWaalsContact O-CG 3.23Å; R384-Q388 WeakPolarHBondContact O-CG 3.39Å; R384-Q388 PolarHBondContact O-N 3.26Å; S385-Q388 PolarHBondContact O-N 2.94Å; I386-Q388 VanDerWaalsContact C-N 3.34Å; I386-Q388 PolarHBondContact O-N 3.39Å
389S87.8Confident92.4Very high59 Ų5939.2 Ų39.241%0.41321%0.207SC..Hα-helixtrans-74.6-48.2176.3169.10000112.4S385 I386 V387S385-S389 WeakPolarHBondContact O-CB 3.22Å; S385-S389 PolarHBondContact O-N 3.44Å; S385-S389 VanDerWaalsContact O-N 3.07Å; I386-S389 CarbonylContact O-C 3.51Å; I386-S389 WeakPolarHBondContact O-CA 3.45Å; I386-S389 VanDerWaalsContact O-CB 3.32Å; I386-S389 WeakPolarHBondContact O-CB 3.47Å; I386-S389 PolarHBondContact O-N 3.06Å; V387-S389 VanDerWaalsContact C-N 3.25Å; V387-S389 PolarHBondContact O-N 3.12Å
390T87.7Confident91.5Very high2 Ų239.4 Ų39.41%0.01221%0.21CC..Hα-helixtrans-85.5-24.9-171.359.20000113.8M327 I386M327-T390 VanDerWaalsContact O-CG2 3.28Å; M327-T390 WeakPolarHBondContact O-CG2 3.32Å; I386-T390 HydrophobicContact CG2-CG2 4.3Å; I386-T390 WeakPolarHBondContact O-CG2 3.34Å; I386-T390 PolarHBondContact O-N 2.84Å; I386-T390 PolarHBondContact O-OG1 3.29Å; I386-T390 VanDerWaalsContact O-OG1 3.12Å
391G90.3Very high90.6Very high18 Ų1844.9 Ų44.919%0.18624%0.238CC..  trans79.2176.2-159.300000111.9V330 V387V330-G391 WeakPolarHBondContact CG1-O 3.1Å; V387-G391 CarbonylContact O-C 3.59Å; V387-G391 VanDerWaalsContact O-CA 3.24Å; V387-G391 WeakPolarHBondContact O-CA 3.27Å; V387-G391 PolarHBondContact O-N 2.93Å
392G93Very high90.1Very high24 Ų2437.3 Ų37.325%0.24721%0.206CC..SBendtrans105.3177.7-178.800000114.3R340 S343 V387R340-G392 WeakPolarHBondContact O-CA 3.27Å; R340-G392 PolarHBondContact O-N 3.49Å; S343-G392 CarbonylContact O-C 3.5Å; S343-G392 WeakPolarHBondContact O-CA 3.29Å; V387-G392 WeakPolarHBondContact CG1-O 3.19Å
393G94.5Very high89.8Confident32 Ų3237.8 Ų37.833%0.3321%0.208SC..EExtended strand (participates in β ladder)trans-90.2-178.5160.800000111.6S343 L345S343-G393 PolarHBondContact O-N 2.82Å; L345-G393 PolarHBondContact N-O 3.32Å
394R94.9Very high89.4Confident49 Ų4938 Ų3819%0.18521%0.209CC..EExtended strand (participates in β ladder)trans-138.1147174.648.1-177.1-173.4166.32.9109.3L345 Y347 V383 V387 N426 E428L345-R394 WeakPolarHBondContact O-CA 3.41Å; Y347-R394 HydrophobicContact CE1-CB 4.45Å; V383-R394 HydrophobicContact CG1-CB 4.05Å; V387-R394 HydrophobicContact CG2-CB 4.12Å; R394-N426 PolarHBondContact NH2-O 3.46Å; R394-E428 WeakPolarHBondContact CB-OE1 3.06Å; R394-E428 WeakPolarHBondContact CD-OE2 3.35Å; R394-E428 WeakPolarHBondContact CG-OE1 3.35Å; R394-E428 WeakPolarHBondContact CG-OE2 3.37Å; R394-E428 IonicContact CZ-OE2 2.67Å; R394-E428 IonicContact NE-OE2 3.83Å; R394-E428 PolarHBondContact NE-OE2 2.93Å; R394-E428 IonicContact NH1-OE2 2.94Å; R394-E428 PolarHBondContact NH1-OE2 2.89Å; R394-E428 IonicContact NH2-OE2 3.23Å
395F96.5Very high89.1Confident45 Ų4534.7 Ų34.720%0.19720%0.201CC..EExtended strand (participates in β ladder)trans-152.6123.6-179.4-159.1-79000110.4F306 V344 L345 S346 Y347 T397 E428 S429 T431F306-F395 HydrophobicContact CD1-CB 4.2Å; F306-F395 HydrophobicContact CD1-CG 4.43Å; F306-F395 HydrophobicContact CE1-CB 3.59Å; F306-F395 AromaticContact CE1-CD1 3.99Å; F306-F395 HydrophobicContact CE1-CD1 3.99Å; F306-F395 AromaticContact CE1-CD2 3.7Å; F306-F395 HydrophobicContact CE1-CD2 3.7Å; F306-F395 HydrophobicContact CE1-CE2 4.32Å; F306-F395 AromaticContact CE1-CG 3.52Å; F306-F395 HydrophobicContact CE1-CG 3.52Å; F306-F395 HydrophobicContact CZ-CD2 4.04Å; F306-F395 HydrophobicContact CZ-CE2 4.44Å; F306-F395 HydrophobicContact CZ-CG 4.32Å; V344-F395 HydrophobicContact CG1-CB 3.6Å; L345-F395 PolarHBondContact O-N 3.22Å; S346-F395 WeakPolarHBondContact CA-O 3.13Å; Y347-F395 WeakPolarHBondContact CD1-O 3.43Å; Y347-F395 PolarHBondContact N-O 2.84Å; F395-T397 HydrophobicContact CD1-CG2 3.61Å; F395-T397 HydrophobicContact CE1-CG2 4.15Å; F395-T397 PolarHBondContact O-N 3.43Å; F395-E428 PolarHBondContact N-OE1 3.35Å; F395-S429 WeakPolarHBondContact CA-O 3.13Å; F395-S429 VanDerWaalsContact CD2-CB 3.46Å; F395-S429 VanDerWaalsContact CE2-CB 3.45Å; F395-T431 HydrophobicContact CE1-CG2 3.96Å
396L95.5Very high88.7Confident0 Ų034.3 Ų34.30%021%0.205CC..EExtended strand (participates in β ladder)trans-7996.7175.6176.965.3000109Y347 F380 E398 F399 V419 E428 S429 W430 T431Y347-L396 HydrophobicContact CD2-CD1 3.93Å; Y347-L396 HydrophobicContact CE1-CB 4.24Å; Y347-L396 HydrophobicContact CE2-CB 4.35Å; Y347-L396 HydrophobicContact CE2-CD1 3.56Å; Y347-L396 WeakPolarHBondContact O-CA 3.23Å; F380-L396 HydrophobicContact CZ-CD2 4.31Å; L396-E398 WeakPolarHBondContact CD1-O 3.36Å; L396-F399 HydrophobicContact CD1-CB 4.3Å; L396-F399 HydrophobicContact CD2-CB 4.12Å; L396-F399 HydrophobicContact CD2-CD1 3.69Å; L396-F399 HydrophobicContact CD2-CE1 4.41Å; L396-F399 HydrophobicContact CD2-CG 4.07Å; L396-F399 HydrophobicContact CG-CB 4.36Å; L396-F399 HydrophobicContact CG-CD1 3.88Å; L396-F399 HydrophobicContact CG-CG 4.49Å; L396-V419 HydrophobicContact CD2-CG1 3.86Å; L396-E428 HydrophobicContact CB-CG 4.09Å; L396-S429 PolarHBondContact N-O 2.92Å; L396-W430 HydrophobicContact CB-CB 3.99Å; L396-W430 HydrophobicContact CD2-CB 4.29Å; L396-W430 HydrophobicContact CG-CB 4.37Å; L396-W430 CarbonylContact O-C 3.51Å; L396-W430 WeakPolarHBondContact O-CA 3.42Å; L396-W430 WeakPolarHBondContact O-CB 3.11Å; L396-T431 PolarHBondContact O-N 2.83Å
397T93.2Very high88.7Confident22 Ų2237.3 Ų37.314%0.13522%0.221CC..EExtended strand (participates in β ladder)trans-83.4-25.5-173.340.10000114.6S346 Y347 H348 F395 T431S346-T397 WeakPolarHBondContact OG-CB 3.27Å; S346-T397 WeakPolarHBondContact OG-CG2 3.49Å; S346-T397 PolarHBondContact OG-OG1 2.93Å; Y347-T397 PolarHBondContact O-N 2.94Å; Y347-T397 PolarHBondContact O-OG1 2.89Å; H348-T397 PolarHBondContact CD2-OG1 2.84Å; H348-T397 PolarHBondContact NE2-OG1 3.05Å; F395-T397 HydrophobicContact CD1-CG2 3.61Å; F395-T397 HydrophobicContact CE1-CG2 4.15Å; F395-T397 PolarHBondContact O-N 3.43Å; T397-T431 HydrophobicContact CG2-CG2 4.29Å; T397-T431 WeakPolarHBondContact O-CG2 3.33Å
398E91.4Very high88.6Confident62 Ų6240.9 Ų40.929%0.2925%0.245SC..EExtended strand (participates in β ladder)trans-142.8140.8176.6-54.2-178.8176.900109.2H348 Y349 Y350 L396 W433H348-E398 CarbonylContact C-O 3.43Å; H348-E398 WeakPolarHBondContact CA-O 3.46Å; H348-E398 HydrophobicContact CB-CB 3.97Å; H348-E398 VanDerWaalsContact CD2-CB 3.45Å; H348-E398 WeakPolarHBondContact CD2-CB 3.22Å; H348-E398 VanDerWaalsContact CD2-CG 3.48Å; H348-E398 WeakPolarHBondContact CD2-CG 3.38Å; H348-E398 PolarHBondContact CD2-N 2.74Å; H348-E398 IonicContact CE1-OE1 3.63Å; H348-E398 PolarHBondContact CE1-OE1 3.41Å; H348-E398 IonicContact CE1-OE2 3.71Å; H348-E398 PolarHBondContact CE1-OE2 2.94Å; H348-E398 IonicContact CG-OE2 3.57Å; H348-E398 IonicContact ND1-OE2 3.31Å; H348-E398 PolarHBondContact ND1-OE2 2.62Å; H348-E398 WeakPolarHBondContact NE2-CG 3.12Å; H348-E398 IonicContact NE2-OE1 3.21Å; H348-E398 IonicContact NE2-OE2 3.57Å; Y349-E398 PolarHBondContact N-O 2.86Å; Y350-E398 HydrophobicContact CE2-CB 4.41Å; Y350-E398 PolarHBondContact OH-OE2 2.98Å; L396-E398 WeakPolarHBondContact CD1-O 3.36Å; E398-W433 HydrophobicContact CB-CG 4.28Å; E398-W433 HydrophobicContact CG-CB 3.97Å; E398-W433 HydrophobicContact CG-CG 4.09Å
399F90.9Very high88.6Confident0 Ų039.7 Ų39.70%024%0.239CC..EExtended strand (participates in β ladder)trans-150.1139.9167.856.6-82.6000110.7Y349 L396 V419 L420 W430 T431 Y432 F452Y349-F399 CarbonylContact O-C 3.41Å; Y349-F399 WeakPolarHBondContact O-CA 3.16Å; L396-F399 HydrophobicContact CD1-CB 4.3Å; L396-F399 HydrophobicContact CD2-CB 4.12Å; L396-F399 HydrophobicContact CD2-CD1 3.69Å; L396-F399 HydrophobicContact CD2-CE1 4.41Å; L396-F399 HydrophobicContact CD2-CG 4.07Å; L396-F399 HydrophobicContact CG-CB 4.36Å; L396-F399 HydrophobicContact CG-CD1 3.88Å; L396-F399 HydrophobicContact CG-CG 4.49Å; F399-V419 HydrophobicContact CB-CG1 3.91Å; F399-V419 HydrophobicContact CD1-CG1 4.5Å; F399-V419 HydrophobicContact CD2-CB 4.17Å; F399-V419 HydrophobicContact CD2-CG1 3.64Å; F399-V419 HydrophobicContact CE2-CG1 4.3Å; F399-V419 HydrophobicContact CG-CG1 3.76Å; F399-L420 HydrophobicContact CE1-CD2 4.43Å; F399-L420 HydrophobicContact CE2-CD2 4.11Å; F399-L420 HydrophobicContact CE2-CG 4.31Å; F399-L420 HydrophobicContact CZ-CD2 3.69Å; F399-L420 HydrophobicContact CZ-CG 4.36Å; F399-W430 HydrophobicContact CE1-CB 4.19Å; F399-W430 HydrophobicContact CE1-CD2 4.21Å; F399-W430 AromaticContact CE1-CE3 3.74Å; F399-W430 HydrophobicContact CE1-CE3 3.74Å; F399-W430 HydrophobicContact CE1-CG 4.42Å; F399-W430 HydrophobicContact CZ-CD2 4.4Å; F399-W430 AromaticContact CZ-CE3 3.88Å; F399-W430 HydrophobicContact CZ-CE3 3.88Å; F399-W430 HydrophobicContact CZ-CZ3 4.29Å; F399-T431 WeakPolarHBondContact CE1-O 3.23Å; F399-Y432 HydrophobicContact CD2-CD2 4.43Å; F399-Y432 HydrophobicContact CE1-CD2 4.13Å; F399-Y432 AromaticContact CE2-CD2 3.92Å; F399-Y432 HydrophobicContact CE2-CD2 3.92Å; F399-Y432 HydrophobicContact CE2-CE2 4.33Å; F399-Y432 AromaticContact CZ-CD2 3.74Å; F399-Y432 HydrophobicContact CZ-CD2 3.74Å; F399-Y432 HydrophobicContact CZ-CG 4.48Å; F399-F452 HydrophobicContact CE2-CE1 4.05Å; F399-F452 HydrophobicContact CZ-CD1 4.42Å; F399-F452 AromaticContact CZ-CE1 3.96Å; F399-F452 HydrophobicContact CZ-CE1 3.96Å
400G75Confident88.8Confident5 Ų536.9 Ų36.95%0.05222%0.219CC..  trans59.6179.7169.600000116.5Y349 Y350 W433Y349-G400 PolarHBondContact O-N 3.39Å; Y350-G400 VanDerWaalsContact CE1-C 3.49Å; Y350-G400 WeakPolarHBondContact CE1-O 3.22Å; G400-W433 PolarHBondContact O-NE1 2.72Å; G400-W433 VanDerWaalsContact O-NE1 3.17Å
401L74.7Confident89Confident115 Ų11537.1 Ų37.160%0.60222%0.22SC*.SBendtrans-126.263.8157.4-78.9167.1000104.4N412 W433L401-N412 PolarHBondContact O-OD1 3.06Å; L401-W433 HydrophobicContact CD2-CH2 3.87Å; L401-W433 HydrophobicContact CD2-CZ2 3.44Å; L401-W433 VanDerWaalsContact CD2-CZ2 3.44Å; L401-W433 HydrophobicContact CG-CZ2 4.25Å
402C83.7Confident89Confident3 Ų337.1 Ų37.12%0.0222%0.216CC..  trans-116.3125.3-174.369.90000109.5N412 E415 C416 Y432C402-N412 WeakPolarHBondContact CA-OD1 3.14Å; C402-N412 WeakPolarHBondContact CB-O 3.38Å; C402-E415 HydrophobicContact CB-CB 4.35Å; C402-E415 HydrophobicContact CB-CG 4.41Å; C402-C416 HydrophobicContact CB-CB 3.9Å; C402-C416 WeakPolarHBondContact CB-SG 3.41Å; C402-C416 PolarHBondContact O-SG 3.44Å; C402-C416 WeakPolarHBondContact SG-CA 3.48Å; C402-C416 WeakPolarHBondContact SG-CB 3.49Å; C402-C416 CovalentContact SG-SG 2.04Å; C402-C416 PolarHBondContact SG-SG 2.78Å; C402-Y432 PolarHBondContact O-OH 2.94Å
403L85Confident88.9Confident23 Ų2336.5 Ų36.512%0.1221%0.208CC..  trans-131.4104.6177.1-79.2160.4000107.3D405 N412 Y432 E437 L438L403-D405 PolarHBondContact O-N 2.98Å; L403-D405 VanDerWaalsContact O-N 3.1Å; L403-N412 PolarHBondContact N-OD1 2.96Å; L403-N412 VanDerWaalsContact O-CB 3.23Å; L403-N412 WeakPolarHBondContact O-CB 3.21Å; L403-N412 PolarHBondContact O-ND2 3.16Å; L403-Y432 HydrophobicContact CD2-CE1 4.45Å; L403-E437 HydrophobicContact CD1-CB 4.11Å; L403-E437 HydrophobicContact CD1-CG 4.29Å; L403-E437 WeakPolarHBondContact CD1-OE2 3.43Å; L403-E437 HydrophobicContact CD2-CB 4.36Å; L403-L438 HydrophobicContact CD2-CD2 3.79Å; L403-L438 HydrophobicContact CD2-CG 3.94Å
404P85.8Confident88.8Confident4 Ų436 Ų363%0.02620%0.198CC..  trans-54.8123.1-178.3-20.929.2000110.2T413 C416 S448 S451 F452P404-T413 HydrophobicContact CB-CG2 4.44Å; P404-C416 HydrophobicContact CG-CB 4.08Å; P404-S448 WeakPolarHBondContact O-CA 3.31Å; P404-S448 WeakPolarHBondContact O-CB 3.11Å; P404-S448 PolarHBondContact O-OG 3.05Å; P404-S451 WeakPolarHBondContact CG-OG 3.49Å; P404-F452 HydrophobicContact CG-CE2 4.44Å
405D85.3Confident88.7Confident61 Ų6133.9 Ų33.933%0.32619%0.191SC..  trans-104.37.4-171.659.24.5000112.5L403 N407 S410 T413L403-D405 PolarHBondContact O-N 2.98Å; L403-D405 VanDerWaalsContact O-N 3.1Å; D405-N407 VanDerWaalsContact C-N 3.26Å; D405-N407 PolarHBondContact O-N 2.99Å; D405-N407 WeakPolarHBondContact OD1-CB 3.43Å; D405-N407 PolarHBondContact OD1-N 3.31Å; D405-S410 VanDerWaalsContact CG-OG 3.27Å; D405-S410 WeakPolarHBondContact OD1-CB 3.29Å; D405-S410 PolarHBondContact OD1-OG 3.33Å; D405-S410 WeakPolarHBondContact OD2-CB 3.39Å; D405-S410 PolarHBondContact OD2-OG 3.01Å; D405-T413 PolarHBondContact N-OG1 3.25Å; D405-T413 PolarHBondContact OD1-OG1 2.82Å
406G84.1Confident88.5Confident39 Ų3931.8 Ų31.840%0.40218%0.181SC..SBendtrans83.7-7.8-177.200000114.6P408 I447G406-P408 WeakPolarHBondContact O-CD 3.46Å; G406-I447 VanDerWaalsContact CA-CD1 3.5Å
407N89.7Confident88.4Confident65 Ų6532.9 Ų32.935%0.34819%0.187SC..  trans-87.9113.5168.41794.6000109.3D405 E409 S410 T413D405-N407 VanDerWaalsContact C-N 3.26Å; D405-N407 PolarHBondContact O-N 2.99Å; D405-N407 WeakPolarHBondContact OD1-CB 3.43Å; D405-N407 PolarHBondContact OD1-N 3.31Å; N407-E409 PolarHBondContact O-N 3.16Å; N407-E409 VanDerWaalsContact O-N 3.15Å; N407-E409 PolarHBondContact OD1-N 3.36Å; N407-E409 VanDerWaalsContact OD1-N 3.08Å; N407-S410 PolarHBondContact O-N 3.44Å; N407-S410 PolarHBondContact O-OG 2.85Å; N407-T413 WeakPolarHBondContact O-CB 3.32Å; N407-T413 PolarHBondContact O-OG1 3.14Å
408P89.9Confident88.4Confident93 Ų9332.4 Ų32.460%0.60419%0.186SC*.THydrogen-bonded Turntrans-65.9-16.9-177.627.5-35.1000113.8G406 V414G406-P408 WeakPolarHBondContact O-CD 3.46Å; P408-V414 VanDerWaalsContact O-CG2 3.31Å; P408-V414 WeakPolarHBondContact O-CG2 3.37Å
409E91.7Very high88.6Confident112 Ų11229.5 Ų29.552%0.52317%0.172SC..THydrogen-bonded Turntrans-99.7-6.5-178.5-59.4-178.2167.900113.2H362 M363 N407H362-E409 WeakPolarHBondContact CA-O 3.17Å; H362-E409 IonicContact CD2-OE2 3.58Å; H362-E409 PolarHBondContact CD2-OE2 2.81Å; H362-E409 IonicContact NE2-OE2 3.84Å; M363-E409 PolarHBondContact N-O 2.89Å; N407-E409 PolarHBondContact O-N 3.16Å; N407-E409 VanDerWaalsContact O-N 3.15Å; N407-E409 PolarHBondContact OD1-N 3.36Å; N407-E409 VanDerWaalsContact OD1-N 3.08Å
410S92.6Very high88.8Confident0 Ų029.5 Ų29.50%017%0.172CC..BIsolated β-bridgetrans-68.3148.6179.369.60000111.4E361 D405 N407 N412 T413 V414E361-S410 CarbonylContact O-C 3.44Å; E361-S410 WeakPolarHBondContact O-CA 3.41Å; D405-S410 VanDerWaalsContact CG-OG 3.27Å; D405-S410 WeakPolarHBondContact OD1-CB 3.29Å; D405-S410 PolarHBondContact OD1-OG 3.33Å; D405-S410 WeakPolarHBondContact OD2-CB 3.39Å; D405-S410 PolarHBondContact OD2-OG 3.01Å; N407-S410 PolarHBondContact O-N 3.44Å; N407-S410 PolarHBondContact O-OG 2.85Å; S410-N412 PolarHBondContact O-N 2.91Å; S410-T413 PolarHBondContact O-N 3.44Å; S410-T413 PolarHBondContact OG-N 2.03Å; S410-T413 PolarHBondContact OG-OG1 3Å; S410-V414 WeakPolarHBondContact O-CB 3.2Å; S410-V414 VanDerWaalsContact O-CG2 3.26Å; S410-V414 WeakPolarHBondContact O-CG2 3.14Å; S410-V414 PolarHBondContact O-N 3.34Å
411I91.6Very high89.8Confident7 Ų731.6 Ų31.64%0.03618%0.182CC..Hα-helixtrans-53.2-42.4174.4-71.4164.9000110.7L354 T357 A359 E361 M363 E415L354-I411 HydrophobicContact CB-CG2 4.27Å; L354-I411 HydrophobicContact CD1-CG2 4.04Å; L354-I411 HydrophobicContact CD2-CG2 4.12Å; L354-I411 HydrophobicContact CG-CG2 4.36Å; T357-I411 HydrophobicContact CG2-CD1 3.32Å; A359-I411 WeakPolarHBondContact O-CB 3.44Å; A359-I411 PolarHBondContact O-N 2.91Å; E361-I411 HydrophobicContact CB-CD1 4.43Å; E361-I411 WeakPolarHBondContact O-CG1 3.22Å; E361-I411 PolarHBondContact O-N 3.48Å; M363-I411 HydrophobicContact CB-CG1 3.95Å; M363-I411 HydrophobicContact SD-CG1 3.92Å; I411-E415 WeakPolarHBondContact O-CB 3.47Å; I411-E415 PolarHBondContact O-N 3.09Å
412N89.4Confident90.8Very high18 Ų1826.1 Ų26.110%0.09615%0.153CC..Hα-helixtrans-51.1-58.4174.5-98.2-25000112.6A359 L401 C402 L403 S410 C416A359-N412 VanDerWaalsContact CB-OD1 3.31Å; A359-N412 WeakPolarHBondContact CB-OD1 3.35Å; A359-N412 WeakPolarHBondContact O-CB 3.5Å; A359-N412 PolarHBondContact O-N 3.07Å; L401-N412 PolarHBondContact O-OD1 3.06Å; C402-N412 WeakPolarHBondContact CA-OD1 3.14Å; C402-N412 WeakPolarHBondContact CB-O 3.38Å; L403-N412 PolarHBondContact N-OD1 2.96Å; L403-N412 VanDerWaalsContact O-CB 3.23Å; L403-N412 WeakPolarHBondContact O-CB 3.21Å; L403-N412 PolarHBondContact O-ND2 3.16Å; S410-N412 PolarHBondContact O-N 2.91Å; N412-C416 WeakPolarHBondContact O-CB 3.36Å; N412-C416 PolarHBondContact O-N 3.37Å
413T91Very high91.4Very high12 Ų1226 Ų267%0.07415%0.152CC..Hα-helixtrans-70.8-41.9-175.5-57.90000111.5P404 D405 N407 S410 N417P404-T413 HydrophobicContact CB-CG2 4.44Å; D405-T413 PolarHBondContact N-OG1 3.25Å; D405-T413 PolarHBondContact OD1-OG1 2.82Å; N407-T413 WeakPolarHBondContact O-CB 3.32Å; N407-T413 PolarHBondContact O-OG1 3.14Å; S410-T413 PolarHBondContact O-N 3.44Å; S410-T413 PolarHBondContact OG-N 2.03Å; S410-T413 PolarHBondContact OG-OG1 3Å; T413-N417 WeakPolarHBondContact O-CB 3.47Å; T413-N417 VanDerWaalsContact O-CG 3.29Å; T413-N417 PolarHBondContact O-N 3.07Å; T413-N417 VanDerWaalsContact O-N 3.08Å; T413-N417 PolarHBondContact O-ND2 2.94Å
414V92.8Very high91.9Very high20 Ų2025.3 Ų25.312%0.12115%0.149CC..Hα-helixtrans-64.3-49.7-178.4175.30000111.4M363 Q368 P408 S410 N417 A418M363-V414 HydrophobicContact CB-CB 4.18Å; M363-V414 HydrophobicContact CB-CG1 4.25Å; M363-V414 HydrophobicContact CB-CG2 4.16Å; M363-V414 HydrophobicContact CE-CG1 4.12Å; M363-V414 HydrophobicContact CG-CB 4.41Å; M363-V414 HydrophobicContact CG-CG1 3.99Å; Q368-V414 HydrophobicContact CG-CG1 4.11Å; P408-V414 VanDerWaalsContact O-CG2 3.31Å; P408-V414 WeakPolarHBondContact O-CG2 3.37Å; S410-V414 WeakPolarHBondContact O-CB 3.2Å; S410-V414 VanDerWaalsContact O-CG2 3.26Å; S410-V414 WeakPolarHBondContact O-CG2 3.14Å; S410-V414 PolarHBondContact O-N 3.34Å; V414-N417 PolarHBondContact O-N 3.26Å; V414-A418 VanDerWaalsContact O-CB 3.29Å; V414-A418 WeakPolarHBondContact O-CB 3.36Å; V414-A418 PolarHBondContact O-N 2.91Å
415E92.8Very high92.4Very high6 Ų630.9 Ų30.93%0.02817%0.169CC..Hα-helixtrans-64.4-46.3-178.8179.471173.500111.4Y349 C351 L354 C402 I411 N417 A418 V419Y349-E415 WeakPolarHBondContact CE1-OE1 3.27Å; C351-E415 WeakPolarHBondContact CB-OE1 3.44Å; L354-E415 HydrophobicContact CD1-CB 4.02Å; L354-E415 VanDerWaalsContact CD1-CD 3.44Å; L354-E415 HydrophobicContact CD1-CG 3.81Å; L354-E415 WeakPolarHBondContact CD1-OE2 3.48Å; C402-E415 HydrophobicContact CB-CB 4.35Å; C402-E415 HydrophobicContact CB-CG 4.41Å; I411-E415 WeakPolarHBondContact O-CB 3.47Å; I411-E415 PolarHBondContact O-N 3.09Å; E415-N417 PolarHBondContact O-N 3.28Å; E415-A418 PolarHBondContact O-N 3.47Å; E415-V419 HydrophobicContact CG-CG2 4.41Å; E415-V419 WeakPolarHBondContact O-CG2 3.32Å; E415-V419 PolarHBondContact O-N 3.04Å
416C91.8Very high92.9Very high0 Ų029.3 Ų29.30%016%0.161CC..Hα-helixtrans-59.5-46.6178.9-100.70000112C402 P404 N412 A418 L420C402-C416 HydrophobicContact CB-CB 3.9Å; C402-C416 WeakPolarHBondContact CB-SG 3.41Å; C402-C416 PolarHBondContact O-SG 3.44Å; C402-C416 WeakPolarHBondContact SG-CA 3.48Å; C402-C416 WeakPolarHBondContact SG-CB 3.49Å; C402-C416 CovalentContact SG-SG 2.04Å; C402-C416 PolarHBondContact SG-SG 2.78Å; P404-C416 HydrophobicContact CG-CB 4.08Å; N412-C416 WeakPolarHBondContact O-CB 3.36Å; N412-C416 PolarHBondContact O-N 3.37Å; C416-A418 VanDerWaalsContact C-N 3.35Å; C416-L420 WeakPolarHBondContact O-CB 3.35Å; C416-L420 VanDerWaalsContact O-CG 3.27Å; C416-L420 WeakPolarHBondContact O-CG 3.11Å; C416-L420 PolarHBondContact O-N 3.07Å
417N93Very high93.4Very high24 Ų2430.9 Ų30.913%0.12816%0.157CC..Hα-helixtrans-65.8-39.1177.1-72.2-19000111.2T413 V414 E415 N421 S451T413-N417 WeakPolarHBondContact O-CB 3.47Å; T413-N417 VanDerWaalsContact O-CG 3.29Å; T413-N417 PolarHBondContact O-N 3.07Å; T413-N417 VanDerWaalsContact O-N 3.08Å; T413-N417 PolarHBondContact O-ND2 2.94Å; V414-N417 PolarHBondContact O-N 3.26Å; E415-N417 PolarHBondContact O-N 3.28Å; N417-N421 WeakPolarHBondContact O-CB 3.46Å; N417-N421 PolarHBondContact O-N 3.18Å; N417-N421 PolarHBondContact O-ND2 3Å; N417-S451 WeakPolarHBondContact OD1-CB 3.27Å; N417-S451 PolarHBondContact OD1-OG 2.96Å
418A94.3Very high93.7Very high12 Ų1228.2 Ų28.210%0.09914%0.142CC..Hα-helixtrans-61.8-49.317800000112.2D372 L376 V414 E415 C416 A422D372-A418 HydrophobicContact CB-CB 4.37Å; D372-A418 WeakPolarHBondContact OD1-CB 3.46Å; L376-A418 HydrophobicContact CD2-CB 4.37Å; V414-A418 VanDerWaalsContact O-CB 3.29Å; V414-A418 WeakPolarHBondContact O-CB 3.36Å; V414-A418 PolarHBondContact O-N 2.91Å; E415-A418 PolarHBondContact O-N 3.47Å; C416-A418 VanDerWaalsContact C-N 3.35Å; A418-A422 WeakPolarHBondContact O-CB 3.09Å; A418-A422 PolarHBondContact O-N 3.13Å
419V95.5Very high93.9Very high0 Ų027.1 Ų27.10%014%0.137CC..Hα-helixtrans-63.1-48179.61770000111.2Y349 L376 L396 F399 E415 A422 A423Y349-V419 HydrophobicContact CD1-CG1 4.41Å; Y349-V419 HydrophobicContact CD1-CG2 3.65Å; Y349-V419 HydrophobicContact CE1-CG2 3.58Å; L376-V419 HydrophobicContact CD1-CG2 4.07Å; L396-V419 HydrophobicContact CD2-CG1 3.86Å; F399-V419 HydrophobicContact CB-CG1 3.91Å; F399-V419 HydrophobicContact CD1-CG1 4.5Å; F399-V419 HydrophobicContact CD2-CB 4.17Å; F399-V419 HydrophobicContact CD2-CG1 3.64Å; F399-V419 HydrophobicContact CE2-CG1 4.3Å; F399-V419 HydrophobicContact CG-CG1 3.76Å; E415-V419 HydrophobicContact CG-CG2 4.41Å; E415-V419 WeakPolarHBondContact O-CG2 3.32Å; E415-V419 PolarHBondContact O-N 3.04Å; V419-A422 CarbonylContact O-C 3.17Å; V419-A422 WeakPolarHBondContact O-CB 3.13Å; V419-A422 PolarHBondContact O-N 2.85Å; V419-A422 VanDerWaalsContact O-N 3.15Å; V419-A423 PolarHBondContact O-N 3.21Å
420L95.3Very high94.1Very high0 Ų025 Ų250%012%0.124CC..Hα-helixtrans-68.9-38-179.1-66.8176000112.3F399 C416 A422 A423 D424 W430 S451 F452F399-L420 HydrophobicContact CE1-CD2 4.43Å; F399-L420 HydrophobicContact CE2-CD2 4.11Å; F399-L420 HydrophobicContact CE2-CG 4.31Å; F399-L420 HydrophobicContact CZ-CD2 3.69Å; F399-L420 HydrophobicContact CZ-CG 4.36Å; C416-L420 WeakPolarHBondContact O-CB 3.35Å; C416-L420 VanDerWaalsContact O-CG 3.27Å; C416-L420 WeakPolarHBondContact O-CG 3.11Å; C416-L420 PolarHBondContact O-N 3.07Å; L420-A422 VanDerWaalsContact C-N 3.27Å; L420-A422 PolarHBondContact O-N 3.23Å; L420-A423 WeakPolarHBondContact O-CB 3.33Å; L420-A423 PolarHBondContact O-N 3.08Å; L420-D424 PolarHBondContact O-N 2.89Å; L420-W430 HydrophobicContact CD2-CD2 3.69Å; L420-W430 VanDerWaalsContact CD2-CE2 3.4Å; L420-W430 HydrophobicContact CD2-CE3 4.18Å; L420-W430 HydrophobicContact CD2-CG 4.14Å; L420-W430 HydrophobicContact CD2-CH2 4.2Å; L420-W430 HydrophobicContact CD2-CZ2 3.69Å; L420-W430 HydrophobicContact CD2-CZ3 4.42Å; L420-S451 WeakPolarHBondContact CD1-O 3.38Å; L420-F452 HydrophobicContact CD1-CD1 4.07Å; L420-F452 HydrophobicContact CD1-CE1 4.41Å
421N95.7Very high94Very high49 Ų4928.2 Ų28.226%0.26214%0.144SC..Hα-helixtrans-64.1-34.5171.7-70.4-22.3000111.4N417 R425 R454N417-N421 WeakPolarHBondContact O-CB 3.46Å; N417-N421 PolarHBondContact O-N 3.18Å; N417-N421 PolarHBondContact O-ND2 3Å; N421-R425 VanDerWaalsContact C-NH1 3.32Å; N421-R425 VanDerWaalsContact O-CG 3.3Å; N421-R425 WeakPolarHBondContact O-CG 3.36Å; N421-R425 PolarHBondContact O-N 3.38Å; N421-R425 VanDerWaalsContact O-N 3.11Å; N421-R425 PolarHBondContact O-NH1 2.88Å; N421-R425 VanDerWaalsContact O-NH1 3.16Å; N421-R454 PolarHBondContact OD1-NH2 3.45Å
422A95.8Very high93.9Very high0 Ų029 Ų290%015%0.147CC..Hα-helixtrans-70.7-38.2174.300000112.2L376 F380 A418 V419 L420 R425 N426L376-A422 HydrophobicContact CD1-CB 4.24Å; L376-A422 HydrophobicContact CD2-CB 3.54Å; L376-A422 HydrophobicContact CG-CB 3.79Å; F380-A422 HydrophobicContact CD2-CB 4.16Å; F380-A422 HydrophobicContact CE2-CB 3.82Å; F380-A422 HydrophobicContact CZ-CB 4.25Å; A418-A422 WeakPolarHBondContact O-CB 3.09Å; A418-A422 PolarHBondContact O-N 3.13Å; V419-A422 CarbonylContact O-C 3.17Å; V419-A422 WeakPolarHBondContact O-CB 3.13Å; V419-A422 PolarHBondContact O-N 2.85Å; V419-A422 VanDerWaalsContact O-N 3.15Å; L420-A422 VanDerWaalsContact C-N 3.27Å; L420-A422 PolarHBondContact O-N 3.23Å; A422-R425 PolarHBondContact O-N 2.86Å; A422-N426 WeakPolarHBondContact O-CB 3.22Å; A422-N426 PolarHBondContact O-N 3.04Å; A422-N426 VanDerWaalsContact O-N 3.07Å; A422-N426 PolarHBondContact O-ND2 2.94Å
423A96.1Very high93.5Very high0 Ų033.6 Ų33.60%016%0.163CC..Hα-helixtrans-58.9-48.7173.100000110.8F380 V419 L420 R425 N426 F427 E428F380-A423 HydrophobicContact CE1-CB 4.49Å; F380-A423 HydrophobicContact CZ-CB 4.22Å; V419-A423 PolarHBondContact O-N 3.21Å; L420-A423 WeakPolarHBondContact O-CB 3.33Å; L420-A423 PolarHBondContact O-N 3.08Å; A423-R425 PolarHBondContact O-N 3.07Å; A423-N426 CarbonylContact O-C 3.56Å; A423-N426 PolarHBondContact O-N 2.9Å; A423-N426 VanDerWaalsContact O-N 3.08Å; A423-F427 PolarHBondContact O-N 2.73Å; A423-E428 HydrophobicContact CB-CB 4.06Å; A423-E428 PolarHBondContact O-N 2.74Å
424D96.2Very high92.9Very high10 Ų1034.7 Ų34.75%0.05317%0.168CC..Hα-helixtrans-56.6-50.6175.4-74.1-11000112.1L420 N426 F427 R454 L467L420-D424 PolarHBondContact O-N 2.89Å; D424-N426 PolarHBondContact O-N 3.27Å; D424-N426 VanDerWaalsContact O-N 3.13Å; D424-F427 PolarHBondContact O-N 2.87Å; D424-F427 VanDerWaalsContact O-N 3.09Å; D424-R454 IonicContact OD1-NE 3.17Å; D424-R454 IonicContact OD2-CZ 3.41Å; D424-R454 VanDerWaalsContact OD2-CZ 3.23Å; D424-R454 IonicContact OD2-NE 3.9Å; D424-R454 PolarHBondContact OD2-NE 2.88Å; D424-R454 IonicContact OD2-NH2 3.34Å; D424-R454 PolarHBondContact OD2-NH2 2.83Å; D424-L467 HydrophobicContact CB-CD2 4.19Å; D424-L467 HydrophobicContact CB-CG 4.05Å
425R95.8Very high91.8Very high120 Ų12034.2 Ų34.245%0.45317%0.167SC..Hα-helixtrans-58.9-27.6178.6-74.9-171.2-54.5-89.89.1113N421 A422 A423N421-R425 VanDerWaalsContact C-NH1 3.32Å; N421-R425 VanDerWaalsContact O-CG 3.3Å; N421-R425 WeakPolarHBondContact O-CG 3.36Å; N421-R425 PolarHBondContact O-N 3.38Å; N421-R425 VanDerWaalsContact O-N 3.11Å; N421-R425 PolarHBondContact O-NH1 2.88Å; N421-R425 VanDerWaalsContact O-NH1 3.16Å; A422-R425 PolarHBondContact O-N 2.86Å; A423-R425 PolarHBondContact O-N 3.07Å
426N95.6Very high90.7Very high29 Ų2943 Ų4316%0.15520%0.201CC..Hα-helixtrans-99.8-0.2-178.7-75.8-81.4000113.5F380 R394 A422 A423 D424 E428F380-N426 HydrophobicContact CD1-CB 3.57Å; F380-N426 HydrophobicContact CE1-CB 4.01Å; F380-N426 HydrophobicContact CG-CB 4.43Å; R394-N426 PolarHBondContact NH2-O 3.46Å; A422-N426 WeakPolarHBondContact O-CB 3.22Å; A422-N426 PolarHBondContact O-N 3.04Å; A422-N426 VanDerWaalsContact O-N 3.07Å; A422-N426 PolarHBondContact O-ND2 2.94Å; A423-N426 CarbonylContact O-C 3.56Å; A423-N426 PolarHBondContact O-N 2.9Å; A423-N426 VanDerWaalsContact O-N 3.08Å; D424-N426 PolarHBondContact O-N 3.27Å; D424-N426 VanDerWaalsContact O-N 3.13Å; N426-E428 HydrophobicContact CB-CB 4.43Å; N426-E428 PolarHBondContact O-N 2.73Å
427F95.1Very high89.5Confident71 Ų7148.7 Ų48.731%0.31123%0.228SC..THydrogen-bonded Turntrans5342.8-169.7-57.3-77.1000112.3A423 D424 P464 L467 Y478A423-F427 PolarHBondContact O-N 2.73Å; D424-F427 PolarHBondContact O-N 2.87Å; D424-F427 VanDerWaalsContact O-N 3.09Å; F427-P464 HydrophobicContact CD1-CB 3.75Å; F427-P464 HydrophobicContact CD2-CB 4.25Å; F427-P464 HydrophobicContact CE1-CB 3.37Å; F427-P464 HydrophobicContact CE1-CG 4.49Å; F427-P464 HydrophobicContact CE2-CB 3.91Å; F427-P464 HydrophobicContact CG-CB 4.15Å; F427-P464 HydrophobicContact CZ-CB 3.44Å; F427-P464 VanDerWaalsContact CZ-CB 3.44Å; F427-L467 HydrophobicContact CD1-CB 4Å; F427-L467 HydrophobicContact CD1-CD2 4.09Å; F427-L467 HydrophobicContact CE1-CB 3.4Å; F427-L467 HydrophobicContact CE1-CD2 4.26Å; F427-L467 HydrophobicContact CE1-CG 4.46Å; F427-L467 HydrophobicContact CZ-CB 4Å; F427-Y478 HydrophobicContact CE1-CD2 4.35Å; F427-Y478 AromaticContact CE1-CE2 3.82Å; F427-Y478 HydrophobicContact CE1-CE2 3.82Å
428E95.4Very high88.3Confident9 Ų947.8 Ų47.84%0.04222%0.223CC..  trans-94.7121.9-179.1-16572.5-140.300110.2Y347 F380 R394 F395 L396 A423 N426Y347-E428 WeakPolarHBondContact CE1-OE1 3.49Å; Y347-E428 VanDerWaalsContact OH-CG 3.28Å; Y347-E428 WeakPolarHBondContact OH-CG 3.37Å; Y347-E428 PolarHBondContact OH-OE1 2.54Å; Y347-E428 PolarHBondContact OH-OE2 2.96Å; F380-E428 HydrophobicContact CD1-CB 4.4Å; F380-E428 HydrophobicContact CD1-CG 4.49Å; F380-E428 HydrophobicContact CE1-CB 3.59Å; F380-E428 HydrophobicContact CE1-CG 3.68Å; F380-E428 HydrophobicContact CZ-CB 4.49Å; F380-E428 HydrophobicContact CZ-CG 4.48Å; R394-E428 WeakPolarHBondContact CB-OE1 3.06Å; R394-E428 WeakPolarHBondContact CD-OE2 3.35Å; R394-E428 WeakPolarHBondContact CG-OE1 3.35Å; R394-E428 WeakPolarHBondContact CG-OE2 3.37Å; R394-E428 IonicContact CZ-OE2 2.67Å; R394-E428 IonicContact NE-OE2 3.83Å; R394-E428 PolarHBondContact NE-OE2 2.93Å; R394-E428 IonicContact NH1-OE2 2.94Å; R394-E428 PolarHBondContact NH1-OE2 2.89Å; R394-E428 IonicContact NH2-OE2 3.23Å; F395-E428 PolarHBondContact N-OE1 3.35Å; L396-E428 HydrophobicContact CB-CG 4.09Å; A423-E428 HydrophobicContact CB-CB 4.06Å; A423-E428 PolarHBondContact O-N 2.74Å; N426-E428 HydrophobicContact CB-CB 4.43Å; N426-E428 PolarHBondContact O-N 2.73Å
429S94.6Very high86.9Confident71 Ų7153.2 Ų53.250%0.49725%0.245SC..EExtended strand (participates in β ladder)trans-74.6146.4168.5-61.50000110F395 L396F395-S429 WeakPolarHBondContact CA-O 3.13Å; F395-S429 VanDerWaalsContact CD2-CB 3.46Å; F395-S429 VanDerWaalsContact CE2-CB 3.45Å; L396-S429 PolarHBondContact N-O 2.92Å
430W95.1Very high85.4Confident66 Ų6656.6 Ų56.625%0.2527%0.269CS..EExtended strand (participates in β ladder)trans-142.6158.5-175.657.8-92.9000112.2L396 F399 L420 F452L396-W430 HydrophobicContact CB-CB 3.99Å; L396-W430 HydrophobicContact CD2-CB 4.29Å; L396-W430 HydrophobicContact CG-CB 4.37Å; L396-W430 CarbonylContact O-C 3.51Å; L396-W430 WeakPolarHBondContact O-CA 3.42Å; L396-W430 WeakPolarHBondContact O-CB 3.11Å; F399-W430 HydrophobicContact CE1-CB 4.19Å; F399-W430 HydrophobicContact CE1-CD2 4.21Å; F399-W430 AromaticContact CE1-CE3 3.74Å; F399-W430 HydrophobicContact CE1-CE3 3.74Å; F399-W430 HydrophobicContact CE1-CG 4.42Å; F399-W430 HydrophobicContact CZ-CD2 4.4Å; F399-W430 AromaticContact CZ-CE3 3.88Å; F399-W430 HydrophobicContact CZ-CE3 3.88Å; F399-W430 HydrophobicContact CZ-CZ3 4.29Å; L420-W430 HydrophobicContact CD2-CD2 3.69Å; L420-W430 VanDerWaalsContact CD2-CE2 3.4Å; L420-W430 HydrophobicContact CD2-CE3 4.18Å; L420-W430 HydrophobicContact CD2-CG 4.14Å; L420-W430 HydrophobicContact CD2-CH2 4.2Å; L420-W430 HydrophobicContact CD2-CZ2 3.69Å; L420-W430 HydrophobicContact CD2-CZ3 4.42Å; W430-F452 HydrophobicContact CH2-CB 3.96Å; W430-F452 AromaticContact CH2-CD1 3.92Å; W430-F452 HydrophobicContact CH2-CD1 3.92Å; W430-F452 HydrophobicContact CH2-CG 4.46Å; W430-F452 VanDerWaalsContact CH2-O 3.26Å; W430-F452 WeakPolarHBondContact CH2-O 3.22Å; W430-F452 WeakPolarHBondContact CZ2-O 3.47Å; W430-F452 AromaticContact CZ3-CD1 3.93Å; W430-F452 HydrophobicContact CZ3-CD1 3.93Å
431T92Very high83.6Confident68 Ų6862.9 Ų62.942%0.41730%0.302SS..  trans-130.2157.4161.9-168.10000109.3F395 L396 T397 F399F395-T431 HydrophobicContact CE1-CG2 3.96Å; L396-T431 PolarHBondContact O-N 2.83Å; T397-T431 HydrophobicContact CG2-CG2 4.29Å; T397-T431 WeakPolarHBondContact O-CG2 3.33Å; F399-T431 WeakPolarHBondContact CE1-O 3.23Å
432Y88.3Confident81.9Confident23 Ų2366.5 Ų66.59%0.0932%0.321CS..  trans-111.5128.1177.2-170.9-112.9000109.4F399 C402 L403 D434 L438 F452F399-Y432 HydrophobicContact CD2-CD2 4.43Å; F399-Y432 HydrophobicContact CE1-CD2 4.13Å; F399-Y432 AromaticContact CE2-CD2 3.92Å; F399-Y432 HydrophobicContact CE2-CD2 3.92Å; F399-Y432 HydrophobicContact CE2-CE2 4.33Å; F399-Y432 AromaticContact CZ-CD2 3.74Å; F399-Y432 HydrophobicContact CZ-CD2 3.74Å; F399-Y432 HydrophobicContact CZ-CG 4.48Å; C402-Y432 PolarHBondContact O-OH 2.94Å; L403-Y432 HydrophobicContact CD2-CE1 4.45Å; Y432-D434 HydrophobicContact CE1-CB 3.78Å; Y432-D434 WeakPolarHBondContact CE1-O 3.06Å; Y432-L438 HydrophobicContact CD1-CD1 3.57Å; Y432-L438 HydrophobicContact CE1-CD1 3.78Å; Y432-F452 HydrophobicContact CD1-CE1 4.13Å; Y432-F452 HydrophobicContact CD1-CZ 4.14Å; Y432-F452 AromaticContact CD2-CE1 3.73Å; Y432-F452 HydrophobicContact CD2-CE1 3.73Å; Y432-F452 HydrophobicContact CD2-CZ 4.15Å; Y432-F452 HydrophobicContact CE1-CE1 4.43Å; Y432-F452 HydrophobicContact CE1-CZ 4.04Å; Y432-F452 HydrophobicContact CE2-CE1 4.1Å; Y432-F452 HydrophobicContact CE2-CZ 4.08Å; Y432-F452 HydrophobicContact CG-CD1 4.41Å; Y432-F452 AromaticContact CG-CE1 3.76Å; Y432-F452 HydrophobicContact CG-CE1 3.76Å; Y432-F452 HydrophobicContact CG-CZ 4.19Å
433W81.4Confident80.6Confident116 Ų11670.2 Ų70.244%0.43934%0.341SS..SBendtrans-85.1-33.7-171.170.4-82.9000112.8Y350 E398 G400 L401 G435Y350-W433 PolarHBondContact OH-NE1 2.83Å; E398-W433 HydrophobicContact CB-CG 4.28Å; E398-W433 HydrophobicContact CG-CB 3.97Å; E398-W433 HydrophobicContact CG-CG 4.09Å; G400-W433 PolarHBondContact O-NE1 2.72Å; G400-W433 VanDerWaalsContact O-NE1 3.17Å; L401-W433 HydrophobicContact CD2-CH2 3.87Å; L401-W433 HydrophobicContact CD2-CZ2 3.44Å; L401-W433 VanDerWaalsContact CD2-CZ2 3.44Å; L401-W433 HydrophobicContact CG-CZ2 4.25Å; W433-G435 VanDerWaalsContact C-N 3.25Å; W433-G435 PolarHBondContact O-N 3.46Å
434D77.9Confident79.2Confident35 Ų3573.8 Ų73.819%0.18736%0.362CS..  trans-89.854.7-176-16712.5000112.2Y432 Y436Y432-D434 HydrophobicContact CE1-CB 3.78Å; Y432-D434 WeakPolarHBondContact CE1-O 3.06Å; D434-Y436 PolarHBondContact O-N 3.26Å
435G69.3Low77.8Confident10 Ų1081.2 Ų81.210%0.10340%0.397CS..  trans-73.1-10.6-176.700000114.8W433 E437 L438 F439W433-G435 VanDerWaalsContact C-N 3.25Å; W433-G435 PolarHBondContact O-N 3.46Å; G435-E437 VanDerWaalsContact C-N 3.32Å; G435-E437 PolarHBondContact O-N 2.9Å; G435-L438 PolarHBondContact O-N 3.37Å; G435-L438 VanDerWaalsContact O-N 3.08Å; G435-F439 WeakPolarHBondContact O-CD2 3.42Å; G435-F439 PolarHBondContact O-N 2.7Å
436Y70.8Confident76.7Confident189 Ų18977.6 Ų77.674%0.74139%0.386SS*.Hα-helixtrans-59.7-42.9-171.1-176.7-97.4000112.1D434 S440D434-Y436 PolarHBondContact O-N 3.26Å; Y436-S440 WeakPolarHBondContact O-CB 3.4Å; Y436-S440 PolarHBondContact O-N 2.98Å; Y436-S440 PolarHBondContact O-OG 3.04Å
437E66.3Low75.6Confident121 Ų12180 Ų8057%0.56540%0.399SS*.Hα-helixtrans-73.1-29.4177.4-61.4-160.6-177.900112.8L403 G435L403-E437 HydrophobicContact CD1-CB 4.11Å; L403-E437 HydrophobicContact CD1-CG 4.29Å; L403-E437 WeakPolarHBondContact CD1-OE2 3.43Å; L403-E437 HydrophobicContact CD2-CB 4.36Å; G435-E437 VanDerWaalsContact C-N 3.32Å; G435-E437 PolarHBondContact O-N 2.9Å
438L67.6Low74.8Confident5 Ų577.5 Ų77.53%0.02639%0.39CS..Hα-helixtrans-76.4-38.3179.6-66.1174.6000113.1L403 Y432 G435 L449 F452L403-L438 HydrophobicContact CD2-CD2 3.79Å; L403-L438 HydrophobicContact CD2-CG 3.94Å; Y432-L438 HydrophobicContact CD1-CD1 3.57Å; Y432-L438 HydrophobicContact CE1-CD1 3.78Å; G435-L438 PolarHBondContact O-N 3.37Å; G435-L438 VanDerWaalsContact O-N 3.08Å; L438-L449 HydrophobicContact CB-CD2 4.41Å; L438-L449 HydrophobicContact CD2-CD2 4.34Å; L438-F452 HydrophobicContact CD1-CD2 3.77Å; L438-F452 HydrophobicContact CD1-CE2 3.73Å; L438-F452 HydrophobicContact CD1-CG 4.36Å; L438-F452 HydrophobicContact CD1-CZ 4.25Å; L438-F452 HydrophobicContact CD2-CD2 4.03Å; L438-F452 HydrophobicContact CD2-CE2 3.92Å; L438-F452 HydrophobicContact CG-CE2 4.44Å
439F66Low74.2Confident125 Ų12578 Ų7855%0.54839%0.393SS..Hα-helixtrans-102-15-168-61.8-61.8000115.1G435 N441 L442G435-F439 WeakPolarHBondContact O-CD2 3.42Å; G435-F439 PolarHBondContact O-N 2.7Å; F439-N441 PolarHBondContact O-N 2.88Å; F439-N441 VanDerWaalsContact O-N 3.16Å; F439-L442 HydrophobicContact CD1-CD1 4.34Å; F439-L442 HydrophobicContact CD1-CD2 3.87Å; F439-L442 HydrophobicContact CD1-CG 4.15Å; F439-L442 HydrophobicContact CE1-CD2 4.33Å
440S64Low73.9Confident72 Ų7279 Ų7950%0.50339%0.388SS..THydrogen-bonded Turntrans-58.7-30.2-17755.20000113.3Y436Y436-S440 WeakPolarHBondContact O-CB 3.4Å; Y436-S440 PolarHBondContact O-N 2.98Å; Y436-S440 PolarHBondContact O-OG 3.04Å
441N57.3Low73.6Confident132 Ų13276.1 Ų76.171%0.70638%0.378SS*.THydrogen-bonded Turntrans-141.984.7168.8-68.9-50.1000109.2F439 N443F439-N441 PolarHBondContact O-N 2.88Å; F439-N441 VanDerWaalsContact O-N 3.16Å; N441-N443 PolarHBondContact O-N 2.8Å
442L59.9Low73.5Confident124 Ų12474 Ų7465%0.64936%0.363SS*.  trans-57.883.6173.6-85.6166.6000110.8F439 L449F439-L442 HydrophobicContact CD1-CD1 4.34Å; F439-L442 HydrophobicContact CD1-CD2 3.87Å; F439-L442 HydrophobicContact CD1-CG 4.15Å; F439-L442 HydrophobicContact CE1-CD2 4.33Å; L442-L449 HydrophobicContact CD2-CD1 4.26Å
443N68.6Low73.6Confident78 Ų7874 Ų7442%0.41737%0.366SS..  trans-101123.4169.1-175.3-1.8000107.4N441 E445 N446 L449N441-N443 PolarHBondContact O-N 2.8Å; N443-E445 PolarHBondContact O-N 2.99Å; N443-E445 VanDerWaalsContact O-N 3.17Å; N443-E445 WeakPolarHBondContact OD1-CB 3.36Å; N443-E445 PolarHBondContact OD1-N 3.39Å; N443-N446 WeakPolarHBondContact O-CB 3.26Å; N443-N446 PolarHBondContact O-N 3.28Å; N443-L449 VanDerWaalsContact O-CD1 3.31Å; N443-L449 WeakPolarHBondContact O-CD1 2.96Å
444V66.9Low74.3Confident75 Ų7568.7 Ų68.746%0.45535%0.346SS..THydrogen-bonded Turntrans-59.7-25.2176.7-177.30000111.4N446 S504 I505V444-N446 PolarHBondContact O-N 3.14Å; V444-S504 WeakPolarHBondContact CG1-O 3.42Å; V444-I505 HydrophobicContact CG1-CG1 3.84Å
445E66.5Low75.2Confident167 Ų16767 Ų6778%0.7834%0.337SS*.THydrogen-bonded Turntrans-76.5-6.4174.4-57.8179.8161.900113.4N443 I447N443-E445 PolarHBondContact O-N 2.99Å; N443-E445 VanDerWaalsContact O-N 3.17Å; N443-E445 WeakPolarHBondContact OD1-CB 3.36Å; N443-E445 PolarHBondContact OD1-N 3.39Å; E445-I447 PolarHBondContact O-N 3.35Å
446N71.7Confident76.5Confident43 Ų4371.1 Ų71.123%0.2335%0.35CS..  trans-65.5108.2176.7-173.5-8.3000109.4N443 V444 S448 L449N443-N446 WeakPolarHBondContact O-CB 3.26Å; N443-N446 PolarHBondContact O-N 3.28Å; V444-N446 PolarHBondContact O-N 3.14Å; N446-S448 PolarHBondContact O-N 3.24Å; N446-S448 VanDerWaalsContact O-N 3.1Å; N446-S448 WeakPolarHBondContact OD1-CB 3.38Å; N446-S448 PolarHBondContact OD1-N 2.82Å; N446-S448 VanDerWaalsContact OD1-N 3.07Å; N446-S448 PolarHBondContact OD1-OG 3.11Å; N446-L449 HydrophobicContact CB-CD1 4.08Å; N446-L449 HydrophobicContact CB-CG 4.11Å; N446-L449 WeakPolarHBondContact O-CB 3.43Å; N446-L449 PolarHBondContact O-N 3.28Å
447I73.3Confident77.7Confident80 Ų8063.3 Ų63.341%0.4132%0.323SS..THydrogen-bonded Turntrans-56.2-29.9-178.6-163.7150.5000112.3G406 E445 L449 K450G406-I447 VanDerWaalsContact CA-CD1 3.5Å; E445-I447 PolarHBondContact O-N 3.35Å; I447-L449 PolarHBondContact O-N 2.86Å; I447-K450 WeakPolarHBondContact O-CB 3.47Å; I447-K450 PolarHBondContact O-N 3.36Å
448S77.3Confident79.1Confident19 Ų1962 Ų6213%0.13332%0.317CS..Hα-helixtrans-62-31.1177.2-48.30000112.3P404 N446 K450 F452P404-S448 WeakPolarHBondContact O-CA 3.31Å; P404-S448 WeakPolarHBondContact O-CB 3.11Å; P404-S448 PolarHBondContact O-OG 3.05Å; N446-S448 PolarHBondContact O-N 3.24Å; N446-S448 VanDerWaalsContact O-N 3.1Å; N446-S448 WeakPolarHBondContact OD1-CB 3.38Å; N446-S448 PolarHBondContact OD1-N 2.82Å; N446-S448 VanDerWaalsContact OD1-N 3.07Å; N446-S448 PolarHBondContact OD1-OG 3.11Å; S448-K450 VanDerWaalsContact C-N 3.28Å; S448-K450 PolarHBondContact O-N 2.99Å; S448-F452 WeakPolarHBondContact O-CD2 3.11Å
449L83.2Confident80.4Confident19 Ų1964.3 Ų64.310%0.09933%0.334CS..Hα-helixtrans-70.4-21.4179.5-66.8176.4000113.3L438 L442 N443 N446 I447 S451 F452 S453 I505L438-L449 HydrophobicContact CB-CD2 4.41Å; L438-L449 HydrophobicContact CD2-CD2 4.34Å; L442-L449 HydrophobicContact CD2-CD1 4.26Å; N443-L449 VanDerWaalsContact O-CD1 3.31Å; N443-L449 WeakPolarHBondContact O-CD1 2.96Å; N446-L449 HydrophobicContact CB-CD1 4.08Å; N446-L449 HydrophobicContact CB-CG 4.11Å; N446-L449 WeakPolarHBondContact O-CB 3.43Å; N446-L449 PolarHBondContact O-N 3.28Å; I447-L449 PolarHBondContact O-N 2.86Å; L449-S451 PolarHBondContact O-N 3.44Å; L449-F452 PolarHBondContact O-N 3.05Å; L449-S453 VanDerWaalsContact O-CB 3.22Å; L449-S453 WeakPolarHBondContact O-CB 3.39Å; L449-S453 PolarHBondContact O-N 3.08Å; L449-I505 HydrophobicContact CB-CD1 4.47Å
450K87.6Confident81.9Confident93 Ų9360 Ų6040%0.40432%0.318SS..Hα-helixtrans-61.3-43.8-176.6-75.5-169.3171.7-171.90112.5I447 S448 V471 I505 H506I447-K450 WeakPolarHBondContact O-CB 3.47Å; I447-K450 PolarHBondContact O-N 3.36Å; S448-K450 VanDerWaalsContact C-N 3.28Å; S448-K450 PolarHBondContact O-N 2.99Å; K450-V471 HydrophobicContact CB-CG2 4.14Å; K450-I505 HydrophobicContact CG-CG2 3.91Å; K450-H506 PolarHBondContact O-CE1 3.28Å; K450-H506 PolarHBondContact O-NE2 3.29Å
451S89.1Confident83.3Confident5 Ų558 Ų584%0.03531%0.306CS..Hα-helixtrans-67.1-40.1-179.2-61.80000112.5P404 N417 L420 L449 R454P404-S451 WeakPolarHBondContact CG-OG 3.49Å; N417-S451 WeakPolarHBondContact OD1-CB 3.27Å; N417-S451 PolarHBondContact OD1-OG 2.96Å; L420-S451 WeakPolarHBondContact CD1-O 3.38Å; L449-S451 PolarHBondContact O-N 3.44Å; S451-R454 WeakPolarHBondContact O-CD 3.28Å; S451-R454 WeakPolarHBondContact O-CG 3.38Å; S451-R454 PolarHBondContact O-NH1 2.93Å
452F90.2Very high85Confident23 Ų2352.6 Ų52.610%0.10128%0.28CS..Hα-helixtrans-79.9-29.5-178-61.3-71.7000113.2F399 P404 L420 W430 Y432 L438 S448 L449 R454F399-F452 HydrophobicContact CE2-CE1 4.05Å; F399-F452 HydrophobicContact CZ-CD1 4.42Å; F399-F452 AromaticContact CZ-CE1 3.96Å; F399-F452 HydrophobicContact CZ-CE1 3.96Å; P404-F452 HydrophobicContact CG-CE2 4.44Å; L420-F452 HydrophobicContact CD1-CD1 4.07Å; L420-F452 HydrophobicContact CD1-CE1 4.41Å; W430-F452 HydrophobicContact CH2-CB 3.96Å; W430-F452 AromaticContact CH2-CD1 3.92Å; W430-F452 HydrophobicContact CH2-CD1 3.92Å; W430-F452 HydrophobicContact CH2-CG 4.46Å; W430-F452 VanDerWaalsContact CH2-O 3.26Å; W430-F452 WeakPolarHBondContact CH2-O 3.22Å; W430-F452 WeakPolarHBondContact CZ2-O 3.47Å; W430-F452 AromaticContact CZ3-CD1 3.93Å; W430-F452 HydrophobicContact CZ3-CD1 3.93Å; Y432-F452 HydrophobicContact CD1-CE1 4.13Å; Y432-F452 HydrophobicContact CD1-CZ 4.14Å; Y432-F452 AromaticContact CD2-CE1 3.73Å; Y432-F452 HydrophobicContact CD2-CE1 3.73Å; Y432-F452 HydrophobicContact CD2-CZ 4.15Å; Y432-F452 HydrophobicContact CE1-CE1 4.43Å; Y432-F452 HydrophobicContact CE1-CZ 4.04Å; Y432-F452 HydrophobicContact CE2-CE1 4.1Å; Y432-F452 HydrophobicContact CE2-CZ 4.08Å; Y432-F452 HydrophobicContact CG-CD1 4.41Å; Y432-F452 AromaticContact CG-CE1 3.76Å; Y432-F452 HydrophobicContact CG-CE1 3.76Å; Y432-F452 HydrophobicContact CG-CZ 4.19Å; L438-F452 HydrophobicContact CD1-CD2 3.77Å; L438-F452 HydrophobicContact CD1-CE2 3.73Å; L438-F452 HydrophobicContact CD1-CG 4.36Å; L438-F452 HydrophobicContact CD1-CZ 4.25Å; L438-F452 HydrophobicContact CD2-CD2 4.03Å; L438-F452 HydrophobicContact CD2-CE2 3.92Å; L438-F452 HydrophobicContact CG-CE2 4.44Å; S448-F452 WeakPolarHBondContact O-CD2 3.11Å; L449-F452 PolarHBondContact O-N 3.05Å; F452-R454 PolarHBondContact O-N 3.4Å
453S90.9Very high86.7Confident23 Ų2353.1 Ų53.116%0.16128%0.28CS..SBendtrans-89.290177.8-166.10000110.4L449 P502 I505 H506L449-S453 VanDerWaalsContact O-CB 3.22Å; L449-S453 WeakPolarHBondContact O-CB 3.39Å; L449-S453 PolarHBondContact O-N 3.08Å; S453-P502 WeakPolarHBondContact OG-CB 3.46Å; S453-I505 VanDerWaalsContact CB-CD1 3.46Å; S453-I505 VanDerWaalsContact OG-CD1 3.29Å; S453-I505 WeakPolarHBondContact OG-CD1 3.43Å; S453-H506 PolarHBondContact O-CD2 3.04Å; S453-H506 PolarHBondContact O-NE2 3.24Å
454R94.8Very high88Confident5 Ų552 Ų522%0.01928%0.276CS..  trans-107154.8-174.7-53.5176.878.381.4-2.9110.9N421 D424 S451 F452 Y456 F469N421-R454 PolarHBondContact OD1-NH2 3.45Å; D424-R454 IonicContact OD1-NE 3.17Å; D424-R454 IonicContact OD2-CZ 3.41Å; D424-R454 VanDerWaalsContact OD2-CZ 3.23Å; D424-R454 IonicContact OD2-NE 3.9Å; D424-R454 PolarHBondContact OD2-NE 2.88Å; D424-R454 IonicContact OD2-NH2 3.34Å; D424-R454 PolarHBondContact OD2-NH2 2.83Å; S451-R454 WeakPolarHBondContact O-CD 3.28Å; S451-R454 WeakPolarHBondContact O-CG 3.38Å; S451-R454 PolarHBondContact O-NH1 2.93Å; F452-R454 PolarHBondContact O-N 3.4Å; R454-Y456 WeakPolarHBondContact O-CD1 3.14Å; R454-F469 HydrophobicContact CB-CD1 3.77Å; R454-F469 HydrophobicContact CB-CE1 4.02Å; R454-F469 HydrophobicContact CB-CG 4.24Å; R454-F469 HydrophobicContact CG-CD1 3.83Å; R454-F469 HydrophobicContact CG-CE1 4.03Å; R454-F469 PolarHBondContact NH2-O 3.41Å; R454-F469 VanDerWaalsContact NH2-O 3.15Å
455T97.3Very high89.5Confident0 Ų052.1 Ų52.10%028%0.277CS..  trans-78.5128.7166.2-600000109.2F476 I499 F500 V501 P502 Y507 I552T455-F476 HydrophobicContact CG2-CB 3.72Å; T455-F476 HydrophobicContact CG2-CD1 3.7Å; T455-F476 HydrophobicContact CG2-CD2 3.48Å; T455-F476 VanDerWaalsContact CG2-CD2 3.48Å; T455-F476 HydrophobicContact CG2-CE1 4.08Å; T455-F476 HydrophobicContact CG2-CE2 3.86Å; T455-F476 HydrophobicContact CG2-CG 3.35Å; T455-F476 HydrophobicContact CG2-CZ 4.13Å; T455-F476 WeakPolarHBondContact O-CD2 3Å; T455-F476 WeakPolarHBondContact O-CE2 3.26Å; T455-I499 HydrophobicContact CG2-CG2 3.67Å; T455-F500 VanDerWaalsContact CA-O 3.25Å; T455-F500 WeakPolarHBondContact CA-O 3.35Å; T455-F500 VanDerWaalsContact CG2-O 3.3Å; T455-F500 WeakPolarHBondContact CG2-O 3.44Å; T455-V501 HydrophobicContact CG2-CG2 4.05Å; T455-P502 WeakPolarHBondContact OG1-CD 3.48Å; T455-Y507 WeakPolarHBondContact OG1-CE2 3.23Å; T455-Y507 PolarHBondContact OG1-OH 3.08Å; T455-I552 HydrophobicContact CG2-CD1 4.22Å
456Y97Very high90.9Very high95 Ų9547 Ų4737%0.37325%0.253SS..EExtended strand (participates in β ladder)trans-152.2152.3-178.469.8-87000112.6R454 Q458 I499 F500R454-Y456 WeakPolarHBondContact O-CD1 3.14Å; Y456-Q458 HydrophobicContact CD2-CG 4.3Å; Y456-Q458 HydrophobicContact CE2-CG 3.59Å; Y456-Q458 PolarHBondContact OH-NE2 3.34Å; Y456-I499 WeakPolarHBondContact O-CA 3.31Å; Y456-F500 HydrophobicContact CD1-CB 4.09Å; Y456-F500 AromaticContact CD1-CD1 3.93Å; Y456-F500 HydrophobicContact CD1-CD1 3.93Å; Y456-F500 HydrophobicContact CD1-CG 4.43Å; Y456-F500 HydrophobicContact CE1-CB 3.69Å; Y456-F500 AromaticContact CE1-CD1 3.41Å; Y456-F500 HydrophobicContact CE1-CD1 3.41Å; Y456-F500 VanDerWaalsContact CE1-CD1 3.41Å; Y456-F500 HydrophobicContact CE1-CE1 4.28Å; Y456-F500 AromaticContact CE1-CG 3.78Å; Y456-F500 HydrophobicContact CE1-CG 3.78Å; Y456-F500 HydrophobicContact CE2-CB 4.41Å; Y456-F500 PolarHBondContact N-O 2.87Å; Y456-F500 VanDerWaalsContact N-O 3.1Å; Y456-F500 PolarHBondContact O-N 3.18Å
457P97.2Very high92.2Very high25 Ų2545.4 Ų45.416%0.16225%0.245CC..EExtended strand (participates in β ladder)trans-75.3124.2172.631-33000111.1Y478 E498 I499P457-Y478 HydrophobicContact CB-CD1 4.17Å; P457-Y478 HydrophobicContact CB-CE1 3.8Å; P457-Y478 HydrophobicContact CG-CD1 4.25Å; P457-Y478 HydrophobicContact CG-CD2 4.04Å; P457-Y478 HydrophobicContact CG-CE1 3.97Å; P457-Y478 HydrophobicContact CG-CE2 3.79Å; P457-Y478 HydrophobicContact CG-CG 4.28Å; P457-E498 CarbonylContact C-O 3.53Å; P457-E498 WeakPolarHBondContact CA-O 3.28Å; P457-I499 HydrophobicContact CB-CG1 4.46Å
458Q95.3Very high93.4Very high93 Ų9348.9 Ų48.944%0.43525%0.253SS..EExtended strand (participates in β ladder)trans-82.4-31.8171.6-68.4-167.9-38.400112.6Y456 E498 F500Y456-Q458 HydrophobicContact CD2-CG 4.3Å; Y456-Q458 HydrophobicContact CE2-CG 3.59Å; Y456-Q458 PolarHBondContact OH-NE2 3.34Å; Q458-E498 HydrophobicContact CB-CB 4.46Å; Q458-E498 PolarHBondContact N-O 3.38Å; Q458-F500 HydrophobicContact CG-CB 4.1Å
459S95.3Very high94.3Very high55 Ų5548.3 Ų48.339%0.38525%0.248SC..EExtended strand (participates in β ladder)trans-146.6147.5179-179.80000110A497 E498S459-A497 WeakPolarHBondContact O-CA 3.13Å; S459-E498 PolarHBondContact N-O 3.29Å; S459-E498 PolarHBondContact O-N 3.02Å
460T96Very high94.9Very high35 Ų3550.8 Ų50.822%0.21526%0.261CS..EExtended strand (participates in β ladder)trans-146.8127.6179.4-55.50000110.5G462 Y478 F480 V496T460-G462 PolarHBondContact O-N 3.45Å; T460-Y478 WeakPolarHBondContact CB-OH 3.35Å; T460-Y478 HydrophobicContact CG2-CE1 4.12Å; T460-Y478 WeakPolarHBondContact CG2-OH 3.36Å; T460-Y478 PolarHBondContact OG1-OH 2.74Å; T460-F480 HydrophobicContact CG2-CB 3.94Å; T460-F480 HydrophobicContact CG2-CD1 3.9Å; T460-F480 HydrophobicContact CG2-CD2 3.46Å; T460-F480 VanDerWaalsContact CG2-CD2 3.46Å; T460-F480 HydrophobicContact CG2-CE1 4.21Å; T460-F480 HydrophobicContact CG2-CE2 3.81Å; T460-F480 HydrophobicContact CG2-CG 3.49Å; T460-F480 VanDerWaalsContact CG2-CG 3.49Å; T460-F480 HydrophobicContact CG2-CZ 4.17Å; T460-V496 WeakPolarHBondContact CA-O 3.4Å
461A93.6Very high95.1Very high30 Ų3046.9 Ų46.925%0.24825%0.245CC..SBendtrans-82.254.5173.900000111.3T483 V496A461-T483 PolarHBondContact O-N 2.82Å; A461-T483 PolarHBondContact O-OG1 3.41Å; A461-V496 PolarHBondContact N-O 3.13Å
462G93.9Very high95.2Very high17 Ų1753.2 Ų53.218%0.17528%0.278CS..EExtended strand (participates in β ladder)trans178.5-177.9-170.200000114T460 V481T460-G462 PolarHBondContact O-N 3.45Å; G462-V481 CarbonylContact C-O 3.6Å; G462-V481 WeakPolarHBondContact CA-O 3.39Å
463Q94.9Very high95.4Very high136 Ų13654.6 Ų54.664%0.63629%0.291SS*.EExtended strand (participates in β ladder)trans-97.1114.6173.5-176.2174.5-300109.7F480 V481Q463-F480 CarbonylContact O-C 3.14Å; Q463-F480 VanDerWaalsContact O-CA 3.26Å; Q463-F480 WeakPolarHBondContact O-CA 3.47Å; Q463-F480 WeakPolarHBondContact O-CB 3.25Å; Q463-V481 PolarHBondContact N-O 2.86Å; Q463-V481 PolarHBondContact O-N 3.2Å
464P96.6Very high95.5Very high54 Ų5453.5 Ų53.535%0.35128%0.284SS..EExtended strand (participates in β ladder)trans-57.4137.9174.8-2232000112.1F427 Y478F427-P464 HydrophobicContact CD1-CB 3.75Å; F427-P464 HydrophobicContact CD2-CB 4.25Å; F427-P464 HydrophobicContact CE1-CB 3.37Å; F427-P464 HydrophobicContact CE1-CG 4.49Å; F427-P464 HydrophobicContact CE2-CB 3.91Å; F427-P464 HydrophobicContact CG-CB 4.15Å; F427-P464 HydrophobicContact CZ-CB 3.44Å; F427-P464 VanDerWaalsContact CZ-CB 3.44Å; P464-Y478 HydrophobicContact CB-CE2 4.11Å; P464-Y478 WeakPolarHBondContact CG-OH 3.33Å
465V96.8Very high95.7Very high77 Ų7755.6 Ų55.647%0.46730%0.297SS..EExtended strand (participates in β ladder)trans-117.5-47.2-179.4177.40000111.1A479 V481 L547V465-A479 PolarHBondContact N-O 3.34Å; V465-V481 HydrophobicContact CG2-CG2 3.67Å; V465-L547 HydrophobicContact CB-CD1 4.33Å; V465-L547 HydrophobicContact CG2-CD1 4.08Å
466Q97.9Very high95.7Very high59 Ų5955.6 Ų55.628%0.27630%0.297SS..EExtended strand (participates in β ladder)trans-144.8140.7179.7-173.7178.2-17.800112.1R468 Y477 Y478 A479Q466-R468 VanDerWaalsContact NE2-NE 3.16Å; Q466-Y477 HydrophobicContact CB-CE1 4.05Å; Q466-Y477 VanDerWaalsContact CD-CE1 3.48Å; Q466-Y477 HydrophobicContact CG-CD1 4.15Å; Q466-Y477 HydrophobicContact CG-CE1 3.81Å; Q466-Y478 CarbonylContact O-C 3.47Å; Q466-Y478 WeakPolarHBondContact O-CA 3.37Å; Q466-Y478 VanDerWaalsContact O-CD2 3.31Å; Q466-Y478 WeakPolarHBondContact O-CD2 3.48Å; Q466-A479 HydrophobicContact CB-CB 4.34Å; Q466-A479 PolarHBondContact N-O 3.03Å; Q466-A479 VanDerWaalsContact N-O 3.1Å; Q466-A479 PolarHBondContact O-N 3.11Å
467L98.2Very high95.8Very high11 Ų1153.3 Ų53.36%0.05829%0.288CS..EExtended strand (participates in β ladder)trans-138.3133.4173.7169.364.1000109.1D424 F427 F476 Y477 Y478D424-L467 HydrophobicContact CB-CD2 4.19Å; D424-L467 HydrophobicContact CB-CG 4.05Å; F427-L467 HydrophobicContact CD1-CB 4Å; F427-L467 HydrophobicContact CD1-CD2 4.09Å; F427-L467 HydrophobicContact CE1-CB 3.4Å; F427-L467 HydrophobicContact CE1-CD2 4.26Å; F427-L467 HydrophobicContact CE1-CG 4.46Å; F427-L467 HydrophobicContact CZ-CB 4Å; L467-F476 HydrophobicContact CD1-CD2 4.11Å; L467-F476 HydrophobicContact CD1-CE2 3.34Å; L467-F476 HydrophobicContact CD1-CZ 4.06Å; L467-Y477 WeakPolarHBondContact CA-O 3.46Å; L467-Y478 HydrophobicContact CB-CD2 4.24Å; L467-Y478 HydrophobicContact CD1-CD2 4.27Å
468R97.6Very high95.9Very high153 Ų15352.1 Ų52.158%0.57728%0.28SS*.EExtended strand (participates in β ladder)trans-145.6137.5173.6-62.2-177.1-179.2163.30.4109.5Q466 Y477Q466-R468 VanDerWaalsContact NE2-NE 3.16Å; R468-Y477 PolarHBondContact N-O 2.91Å; R468-Y477 PolarHBondContact O-N 3.13Å
469F97.6Very high96Very high7 Ų747.8 Ų47.83%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-131.1127.5168.7178.7-106.1000108.6R454 V471 F476 H506R454-F469 HydrophobicContact CB-CD1 3.77Å; R454-F469 HydrophobicContact CB-CE1 4.02Å; R454-F469 HydrophobicContact CB-CG 4.24Å; R454-F469 HydrophobicContact CG-CD1 3.83Å; R454-F469 HydrophobicContact CG-CE1 4.03Å; R454-F469 PolarHBondContact NH2-O 3.41Å; R454-F469 VanDerWaalsContact NH2-O 3.15Å; F469-V471 HydrophobicContact CE1-CB 4.3Å; F469-F476 HydrophobicContact CD2-CB 4.08Å; F469-F476 HydrophobicContact CD2-CD2 4.47Å; F469-H506 AromaticContact CE1-NE2 3.83Å; F469-H506 AromaticContact CZ-CD2 3.63Å; F469-H506 AromaticContact CZ-CE1 3.7Å; F469-H506 AromaticContact CZ-CG 3.78Å; F469-H506 AromaticContact CZ-ND1 3.86Å; F469-H506 AromaticContact CZ-NE2 3.57Å
470D95.6Very high96.1Very high70 Ų7045.1 Ų45.137%0.37424%0.242SC..  trans-97.2114.1172.7178.3-7.9000108.4D472 S473 G474 V475D470-D472 VanDerWaalsContact C-N 3.3Å; D470-D472 PolarHBondContact O-N 3.17Å; D470-D472 PolarHBondContact OD1-N 3.31Å; D470-S473 WeakPolarHBondContact CB-OG 3.24Å; D470-S473 PolarHBondContact OD1-N 3.47Å; D470-S473 WeakPolarHBondContact OD2-CB 3.47Å; D470-S473 PolarHBondContact OD2-OG 3.08Å; D470-G474 CarbonylContact O-C 2.86Å; D470-G474 WeakPolarHBondContact O-CA 3.49Å; D470-G474 PolarHBondContact O-N 3.11Å; D470-V475 PolarHBondContact N-O 2.96Å; D470-V475 PolarHBondContact O-N 2.78Å
471V92.2Very high96Very high11 Ų1146.2 Ų46.27%0.06725%0.248CC..THydrogen-bonded Turntrans-68.7-28.8-176.666.30000112.8K450 F469 H506K450-V471 HydrophobicContact CB-CG2 4.14Å; F469-V471 HydrophobicContact CE1-CB 4.3Å; V471-H506 PolarHBondContact O-CE1 2.87Å
472D90.4Very high95.9Very high138 Ų13845.4 Ų45.474%0.73824%0.24SC*.THydrogen-bonded Turntrans-82.3-42.9-174.9-64.6-37.2000110.5D470D470-D472 VanDerWaalsContact C-N 3.3Å; D470-D472 PolarHBondContact O-N 3.17Å; D470-D472 PolarHBondContact OD1-N 3.31Å
473S93.7Very high95.7Very high52 Ų5249.2 Ų49.236%0.36426%0.26SS..THydrogen-bonded Turntrans-91.6-12.4179.770.90000114.3D470 V475 P554D470-S473 WeakPolarHBondContact CB-OG 3.24Å; D470-S473 PolarHBondContact OD1-N 3.47Å; D470-S473 WeakPolarHBondContact OD2-CB 3.47Å; D470-S473 PolarHBondContact OD2-OG 3.08Å; S473-V475 PolarHBondContact O-N 2.78Å; S473-V475 WeakPolarHBondContact OG-CB 3.42Å; S473-V475 VanDerWaalsContact OG-CG2 3.31Å; S473-V475 WeakPolarHBondContact OG-CG2 3.44Å; S473-V475 PolarHBondContact OG-N 3.22Å; S473-P554 WeakPolarHBondContact O-CD 3.43Å; S473-P554 VanDerWaalsContact O-CG 3.26Å; S473-P554 WeakPolarHBondContact O-CG 3.37Å
474G94.4Very high95Very high1 Ų146.9 Ų46.91%0.0125%0.249CC..  trans66.39.5-171.900000113.6D470 F476 Y507D470-G474 CarbonylContact O-C 2.86Å; D470-G474 WeakPolarHBondContact O-CA 3.49Å; D470-G474 PolarHBondContact O-N 3.11Å; G474-F476 PolarHBondContact O-N 3.36Å; G474-Y507 VanDerWaalsContact O-CE1 3.24Å; G474-Y507 WeakPolarHBondContact O-CE1 3.23Å; G474-Y507 PolarHBondContact O-OH 3.38Å
475V97.7Very high94Very high48 Ų4851.3 Ų51.329%0.29126%0.263SS..  trans-76.4124.3-178.2177.40000109.9D470 S473 T551 I553D470-V475 PolarHBondContact N-O 2.96Å; D470-V475 PolarHBondContact O-N 2.78Å; S473-V475 PolarHBondContact O-N 2.78Å; S473-V475 WeakPolarHBondContact OG-CB 3.42Å; S473-V475 VanDerWaalsContact OG-CG2 3.31Å; S473-V475 WeakPolarHBondContact OG-CG2 3.44Å; S473-V475 PolarHBondContact OG-N 3.22Å; V475-T551 HydrophobicContact CG1-CG2 4.25Å; V475-I553 HydrophobicContact CG1-CG1 4.5Å; V475-I553 HydrophobicContact CG2-CG2 4.28Å
476F98.3Very high93Very high0 Ų054 Ų540%028%0.275CS..EExtended strand (participates in β ladder)trans-109.2137.2176.4169.5-100.8000110.5T455 L467 F469 G474 Y478 I499 I550 T551 I552T455-F476 HydrophobicContact CG2-CB 3.72Å; T455-F476 HydrophobicContact CG2-CD1 3.7Å; T455-F476 HydrophobicContact CG2-CD2 3.48Å; T455-F476 VanDerWaalsContact CG2-CD2 3.48Å; T455-F476 HydrophobicContact CG2-CE1 4.08Å; T455-F476 HydrophobicContact CG2-CE2 3.86Å; T455-F476 HydrophobicContact CG2-CG 3.35Å; T455-F476 HydrophobicContact CG2-CZ 4.13Å; T455-F476 WeakPolarHBondContact O-CD2 3Å; T455-F476 WeakPolarHBondContact O-CE2 3.26Å; L467-F476 HydrophobicContact CD1-CD2 4.11Å; L467-F476 HydrophobicContact CD1-CE2 3.34Å; L467-F476 HydrophobicContact CD1-CZ 4.06Å; F469-F476 HydrophobicContact CD2-CB 4.08Å; F469-F476 HydrophobicContact CD2-CD2 4.47Å; G474-F476 PolarHBondContact O-N 3.36Å; F476-Y478 HydrophobicContact CZ-CG 4.11Å; F476-I499 HydrophobicContact CE1-CD1 4.08Å; F476-I499 HydrophobicContact CE1-CG2 4.09Å; F476-I499 HydrophobicContact CZ-CG2 4.14Å; F476-I550 HydrophobicContact CE1-CG2 4.38Å; F476-T551 CarbonylContact O-C 3.59Å; F476-T551 VanDerWaalsContact O-CA 3.23Å; F476-T551 WeakPolarHBondContact O-CA 3.23Å; F476-T551 WeakPolarHBondContact O-CG2 3.41Å; F476-I552 HydrophobicContact CB-CB 4.18Å; F476-I552 HydrophobicContact CD1-CB 4.11Å; F476-I552 HydrophobicContact CD1-CD1 3.87Å; F476-I552 HydrophobicContact CD1-CG1 3.91Å; F476-I552 HydrophobicContact CE1-CD1 4.21Å; F476-I552 PolarHBondContact N-O 2.75Å; F476-I552 PolarHBondContact O-N 2.96Å
477Y98.4Very high92Very high47 Ų4752.9 Ų52.918%0.18427%0.273CS..EExtended strand (participates in β ladder)trans-131.9130.8173.1175.9-88.1000110.4Q466 L467 R468 A479 E549 I550Q466-Y477 HydrophobicContact CB-CE1 4.05Å; Q466-Y477 VanDerWaalsContact CD-CE1 3.48Å; Q466-Y477 HydrophobicContact CG-CD1 4.15Å; Q466-Y477 HydrophobicContact CG-CE1 3.81Å; L467-Y477 WeakPolarHBondContact CA-O 3.46Å; R468-Y477 PolarHBondContact N-O 2.91Å; R468-Y477 PolarHBondContact O-N 3.13Å; Y477-A479 HydrophobicContact CE1-CB 3.96Å; Y477-E549 HydrophobicContact CE2-CB 4.27Å; Y477-E549 PolarHBondContact OH-OE1 3.19Å; Y477-I550 CarbonylContact C-O 3.54Å; Y477-I550 WeakPolarHBondContact CA-O 3.32Å
478Y98.5Very high91Very high1 Ų159.7 Ų59.70%0.00432%0.315CS..EExtended strand (participates in β ladder)trans-140.6133.8177.6179.9-126.7000111.7F427 P457 T460 P464 Q466 L467 F476 F480 E549 I550F427-Y478 HydrophobicContact CE1-CD2 4.35Å; F427-Y478 AromaticContact CE1-CE2 3.82Å; F427-Y478 HydrophobicContact CE1-CE2 3.82Å; P457-Y478 HydrophobicContact CB-CD1 4.17Å; P457-Y478 HydrophobicContact CB-CE1 3.8Å; P457-Y478 HydrophobicContact CG-CD1 4.25Å; P457-Y478 HydrophobicContact CG-CD2 4.04Å; P457-Y478 HydrophobicContact CG-CE1 3.97Å; P457-Y478 HydrophobicContact CG-CE2 3.79Å; P457-Y478 HydrophobicContact CG-CG 4.28Å; T460-Y478 WeakPolarHBondContact CB-OH 3.35Å; T460-Y478 HydrophobicContact CG2-CE1 4.12Å; T460-Y478 WeakPolarHBondContact CG2-OH 3.36Å; T460-Y478 PolarHBondContact OG1-OH 2.74Å; P464-Y478 HydrophobicContact CB-CE2 4.11Å; P464-Y478 WeakPolarHBondContact CG-OH 3.33Å; Q466-Y478 CarbonylContact O-C 3.47Å; Q466-Y478 WeakPolarHBondContact O-CA 3.37Å; Q466-Y478 VanDerWaalsContact O-CD2 3.31Å; Q466-Y478 WeakPolarHBondContact O-CD2 3.48Å; L467-Y478 HydrophobicContact CB-CD2 4.24Å; L467-Y478 HydrophobicContact CD1-CD2 4.27Å; F476-Y478 HydrophobicContact CZ-CG 4.11Å; Y478-F480 AromaticContact CD1-CD1 3.86Å; Y478-F480 HydrophobicContact CD1-CD1 3.86Å; Y478-F480 HydrophobicContact CD1-CE1 4.24Å; Y478-F480 HydrophobicContact CE1-CB 4.4Å; Y478-F480 AromaticContact CE1-CD1 3.32Å; Y478-F480 HydrophobicContact CE1-CD1 3.32Å; Y478-F480 AromaticContact CE1-CE1 3.85Å; Y478-F480 HydrophobicContact CE1-CE1 3.85Å; Y478-F480 HydrophobicContact CE1-CG 4.15Å; Y478-F480 AromaticContact CZ-CD1 3.85Å; Y478-E549 CarbonylContact O-C 3.5Å; Y478-E549 WeakPolarHBondContact O-CA 3.32Å; Y478-I550 HydrophobicContact CD1-CD1 4.38Å; Y478-I550 PolarHBondContact N-O 3.39Å; Y478-I550 PolarHBondContact O-N 3.07Å
479A98.2Very high90.2Very high1 Ų156.5 Ų56.51%0.00831%0.31CS..EExtended strand (participates in β ladder)trans-135.1141.4176.400000112.4V465 Q466 Y477 L547 I548 E549V465-A479 PolarHBondContact N-O 3.34Å; Q466-A479 HydrophobicContact CB-CB 4.34Å; Q466-A479 PolarHBondContact N-O 3.03Å; Q466-A479 VanDerWaalsContact N-O 3.1Å; Q466-A479 PolarHBondContact O-N 3.11Å; Y477-A479 HydrophobicContact CE1-CB 3.96Å; A479-L547 HydrophobicContact CB-CD1 4.19Å; A479-L547 HydrophobicContact CB-CG 4.44Å; A479-I548 CarbonylContact C-O 3.52Å; A479-I548 WeakPolarHBondContact CA-O 3.23Å; A479-E549 HydrophobicContact CB-CG 4.09Å
480F97.1Very high89.1Confident0 Ų059.9 Ų59.90%033%0.331CS..EExtended strand (participates in β ladder)trans-151.8154.2-17965.4-85.7000112.4T460 Q463 Y478 V496 A497 I548 I550T460-F480 HydrophobicContact CG2-CB 3.94Å; T460-F480 HydrophobicContact CG2-CD1 3.9Å; T460-F480 HydrophobicContact CG2-CD2 3.46Å; T460-F480 VanDerWaalsContact CG2-CD2 3.46Å; T460-F480 HydrophobicContact CG2-CE1 4.21Å; T460-F480 HydrophobicContact CG2-CE2 3.81Å; T460-F480 HydrophobicContact CG2-CG 3.49Å; T460-F480 VanDerWaalsContact CG2-CG 3.49Å; T460-F480 HydrophobicContact CG2-CZ 4.17Å; Q463-F480 CarbonylContact O-C 3.14Å; Q463-F480 VanDerWaalsContact O-CA 3.26Å; Q463-F480 WeakPolarHBondContact O-CA 3.47Å; Q463-F480 WeakPolarHBondContact O-CB 3.25Å; Y478-F480 AromaticContact CD1-CD1 3.86Å; Y478-F480 HydrophobicContact CD1-CD1 3.86Å; Y478-F480 HydrophobicContact CD1-CE1 4.24Å; Y478-F480 HydrophobicContact CE1-CB 4.4Å; Y478-F480 AromaticContact CE1-CD1 3.32Å; Y478-F480 HydrophobicContact CE1-CD1 3.32Å; Y478-F480 AromaticContact CE1-CE1 3.85Å; Y478-F480 HydrophobicContact CE1-CE1 3.85Å; Y478-F480 HydrophobicContact CE1-CG 4.15Å; Y478-F480 AromaticContact CZ-CD1 3.85Å; F480-V496 HydrophobicContact CE2-CB 4.33Å; F480-V496 HydrophobicContact CZ-CB 3.98Å; F480-V496 HydrophobicContact CZ-CG2 4.11Å; F480-A497 HydrophobicContact CE1-CB 4.34Å; F480-A497 HydrophobicContact CZ-CB 4.46Å; F480-I548 HydrophobicContact CD1-CB 4.26Å; F480-I548 HydrophobicContact CD1-CG2 4.19Å; F480-I548 HydrophobicContact CD2-CB 4.48Å; F480-I548 HydrophobicContact CE1-CB 3.87Å; F480-I548 HydrophobicContact CE1-CG2 3.46Å; F480-I548 VanDerWaalsContact CE1-CG2 3.46Å; F480-I548 HydrophobicContact CE2-CB 4.12Å; F480-I548 HydrophobicContact CE2-CD1 3.71Å; F480-I548 HydrophobicContact CE2-CG1 4.45Å; F480-I548 HydrophobicContact CE2-CG2 4.41Å; F480-I548 HydrophobicContact CZ-CB 3.8Å; F480-I548 HydrophobicContact CZ-CD1 3.72Å; F480-I548 HydrophobicContact CZ-CG1 4.36Å; F480-I548 HydrophobicContact CZ-CG2 3.59Å; F480-I548 PolarHBondContact N-O 3.36Å; F480-I548 PolarHBondContact O-N 3.01Å; F480-I550 HydrophobicContact CE1-CD1 3.89Å
481V94.6Very high88.3Confident57 Ų5763.8 Ų63.835%0.34535%0.352SS..EExtended strand (participates in β ladder)trans-89.9119.6172.9-1780000108.8G462 Q463 V465 T483 E546 L547G462-V481 CarbonylContact C-O 3.6Å; G462-V481 WeakPolarHBondContact CA-O 3.39Å; Q463-V481 PolarHBondContact N-O 2.86Å; Q463-V481 PolarHBondContact O-N 3.2Å; V465-V481 HydrophobicContact CG2-CG2 3.67Å; V481-T483 PolarHBondContact O-N 2.94Å; V481-E546 WeakPolarHBondContact CG2-O 3.41Å; V481-L547 HydrophobicContact CG2-CD1 4.44Å
482P92Very high88Confident13 Ų1365 Ų658%0.08436%0.361CS..EExtended strand (participates in β ladder)trans-66.4133.1178.726.3-32.7000111.3I545 I548P482-I545 HydrophobicContact CG-CG2 4.33Å; P482-I548 HydrophobicContact CB-CD1 4.11Å; P482-I548 HydrophobicContact CG-CD1 4.16Å; P482-I548 HydrophobicContact CG-CG1 4.47Å
483T88.4Confident87.9Confident98 Ų9861.8 Ų61.860%0.60135%0.346SS*.  trans-85.9-30.1176.746.70000112.1A461 V481 K485A461-T483 PolarHBondContact O-N 2.82Å; A461-T483 PolarHBondContact O-OG1 3.41Å; V481-T483 PolarHBondContact O-N 2.94Å; T483-K485 PolarHBondContact O-N 3.23Å
484Q81.6Confident87.7Confident86 Ų8660.6 Ų60.640%0.40234%0.335SS..  trans-79.2105.8-179.6-173.1165.41.300111N486 L494Q484-N486 VanDerWaalsContact CG-O 3.29Å; Q484-N486 WeakPolarHBondContact CG-O 3.34Å; Q484-N486 PolarHBondContact NE2-O 2.85Å; Q484-L494 VanDerWaalsContact CD-CD1 3.43Å; Q484-L494 HydrophobicContact CG-CD1 3.97Å
485K74.6Confident87.7Confident147 Ų14763.5 Ų63.564%0.63935%0.351SS*.  trans-95.5-2.7179.5-61.9-165.3177.2-165.90114.9T483 I541T483-K485 PolarHBondContact O-N 3.23Å; K485-I541 WeakPolarHBondContact O-CG2 3.37Å
486N76Confident87.5Confident134 Ų13461.4 Ų61.472%0.71734%0.338SS*.  trans-134.7145.1-177.2-72.4-24.6000111.2Q484Q484-N486 VanDerWaalsContact CG-O 3.29Å; Q484-N486 WeakPolarHBondContact CG-O 3.34Å; Q484-N486 PolarHBondContact NE2-O 2.85Å
487C77.4Confident87.4Confident36 Ų3661.5 Ų61.524%0.24334%0.338CS..  trans-133.3136.1169.7175.70000110.4N489 S492 L494 C538 I541C487-N489 PolarHBondContact SG-O 3.39Å; C487-S492 PolarHBondContact SG-OG 3.27Å; C487-L494 HydrophobicContact CB-CD1 4.37Å; C487-C538 HydrophobicContact CB-CB 3.5Å; C487-C538 VanDerWaalsContact CB-CB 3.5Å; C487-C538 WeakPolarHBondContact CB-SG 3.18Å; C487-C538 WeakPolarHBondContact SG-CB 3.48Å; C487-C538 CovalentContact SG-SG 2.01Å; C487-C538 PolarHBondContact SG-SG 3.37Å; C487-I541 HydrophobicContact CB-CD1 3.41Å; C487-I541 VanDerWaalsContact CB-CD1 3.41Å
488T76.4Confident87.4Confident153 Ų15361.9 Ų61.994%0.93934%0.342SS*.SBendtrans-78.5-30.3-17447.80000113
489N80.8Confident87.3Confident86 Ų8661.9 Ų61.946%0.4634%0.342SS..  trans-122.9112.7178.5-176.4-6.4000110.6C487 N491 S492 C538C487-N489 PolarHBondContact SG-O 3.39Å; N489-N491 PolarHBondContact O-N 3.18Å; N489-N491 VanDerWaalsContact O-N 3.14Å; N489-N491 PolarHBondContact OD1-N 3.28Å; N489-N491 VanDerWaalsContact OD1-N 3.08Å; N489-S492 WeakPolarHBondContact O-CB 3.32Å; N489-S492 PolarHBondContact O-N 3.27Å; N489-S492 PolarHBondContact O-OG 2.74Å; N489-C538 WeakPolarHBondContact O-CB 3.46Å
490V74.1Confident87.3Confident79 Ų7963.9 Ų63.948%0.47935%0.35SS..THydrogen-bonded Turntrans-58.4-27-178.8-121.90000113.9S492V490-S492 VanDerWaalsContact C-N 3.32Å
491N78.8Confident87.3Confident151 Ų15163.9 Ų63.981%0.80735%0.35SS*.THydrogen-bonded Turntrans-88.70.7178.7-66.9-18000113N489N489-N491 PolarHBondContact O-N 3.18Å; N489-N491 VanDerWaalsContact O-N 3.14Å; N489-N491 PolarHBondContact OD1-N 3.28Å; N489-N491 VanDerWaalsContact OD1-N 3.08Å
492S86.2Confident87.2Confident37 Ų3761.3 Ų61.326%0.25934%0.335SS..  trans-90.1160.5177.668.80000111.8C487 N489 V490 C538C487-S492 PolarHBondContact SG-OG 3.27Å; N489-S492 WeakPolarHBondContact O-CB 3.32Å; N489-S492 PolarHBondContact O-N 3.27Å; N489-S492 PolarHBondContact O-OG 2.74Å; V490-S492 VanDerWaalsContact C-N 3.32Å; S492-C538 WeakPolarHBondContact O-CB 3.5Å; S492-C538 PolarHBondContact O-N 3.37Å; S492-C538 PolarHBondContact O-SG 2.82Å; S492-C538 PolarHBondContact OG-SG 3.03Å
493T88.9Confident87.2Confident70 Ų7062.8 Ų62.843%0.42934%0.341SS..EExtended strand (participates in β ladder)trans-114.7137.2171.654.70000108.5M536T493-M536 CarbonylContact C-O 3.56Å; T493-M536 WeakPolarHBondContact CA-O 3.21Å
494L90.3Very high87.3Confident27 Ų2761.3 Ų61.314%0.14134%0.335CS..EExtended strand (participates in β ladder)trans-95.1135175.2-62.8178.7000110.1Q484 C487 V496 Y535 M536 I541Q484-L494 VanDerWaalsContact CD-CD1 3.43Å; Q484-L494 HydrophobicContact CG-CD1 3.97Å; C487-L494 HydrophobicContact CB-CD1 4.37Å; L494-V496 HydrophobicContact CB-CG1 4.44Å; L494-V496 PolarHBondContact O-N 3.25Å; L494-Y535 CarbonylContact O-C 3.57Å; L494-Y535 WeakPolarHBondContact O-CA 3.17Å; L494-M536 PolarHBondContact N-O 3.38Å; L494-M536 PolarHBondContact O-N 2.86Å; L494-I541 HydrophobicContact CD1-CD1 3.27Å; L494-I541 HydrophobicContact CD1-CG1 4.4Å; L494-I541 HydrophobicContact CG-CD1 4.17Å
495L92.7Very high87.7Confident63 Ų6358.7 Ų58.733%0.3332%0.324SS..EExtended strand (participates in β ladder)trans-69.4118.8166.5179.263.5000108.3E498 F533 Y535L495-E498 HydrophobicContact CD1-CG 4.36Å; L495-E498 HydrophobicContact CD2-CG 3.98Å; L495-E498 HydrophobicContact CG-CG 4.44Å; L495-F533 HydrophobicContact CD1-CB 3.69Å; L495-F533 HydrophobicContact CD1-CD1 4.5Å; L495-F533 HydrophobicContact CD1-CG 4.11Å; L495-Y535 HydrophobicContact CB-CD1 4.11Å; L495-Y535 HydrophobicContact CB-CE1 3.96Å; L495-Y535 HydrophobicContact CD1-CD1 4.35Å; L495-Y535 HydrophobicContact CD1-CE1 4Å
496V94Very high88.6Confident4 Ų452.4 Ų52.42%0.02430%0.296CS..EExtended strand (participates in β ladder)trans-109.5-25.5-176.6-65.20000113.7T460 A461 F480 L494 V534 M536T460-V496 WeakPolarHBondContact CA-O 3.4Å; A461-V496 PolarHBondContact N-O 3.13Å; F480-V496 HydrophobicContact CE2-CB 4.33Å; F480-V496 HydrophobicContact CZ-CB 3.98Å; F480-V496 HydrophobicContact CZ-CG2 4.11Å; L494-V496 HydrophobicContact CB-CG1 4.44Å; L494-V496 PolarHBondContact O-N 3.25Å; V496-V534 HydrophobicContact CG2-CB 4.26Å; V496-V534 HydrophobicContact CG2-CG1 3.95Å; V496-V534 VanDerWaalsContact CG2-O 3.29Å; V496-V534 WeakPolarHBondContact CG2-O 3.33Å; V496-V534 PolarHBondContact N-O 2.85Å; V496-M536 HydrophobicContact CG1-CB 3.57Å; V496-M536 HydrophobicContact CG1-CE 3.97Å; V496-M536 HydrophobicContact CG2-CB 4.37Å
497A96.4Very high89.4Confident1 Ų146 Ų461%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-152.5144174.500000111.6S459 F480 I499 V534 I550S459-A497 WeakPolarHBondContact O-CA 3.13Å; F480-A497 HydrophobicContact CE1-CB 4.34Å; F480-A497 HydrophobicContact CZ-CB 4.46Å; A497-I499 HydrophobicContact CB-CD1 4.38Å; A497-I499 HydrophobicContact CB-CG1 4.3Å; A497-V534 HydrophobicContact CB-CB 4.34Å; A497-V534 PolarHBondContact N-O 3.36Å; A497-V534 PolarHBondContact O-N 3.39Å; A497-I550 HydrophobicContact CB-CD1 4.19Å
498E97.3Very high90Very high56 Ų5648.4 Ų48.426%0.26228%0.277SS..EExtended strand (participates in β ladder)trans-111.6121.1167-59.4175.1-145.900107.1P457 Q458 S459 L495 F533P457-E498 CarbonylContact C-O 3.53Å; P457-E498 WeakPolarHBondContact CA-O 3.28Å; Q458-E498 HydrophobicContact CB-CB 4.46Å; Q458-E498 PolarHBondContact N-O 3.38Å; S459-E498 PolarHBondContact N-O 3.29Å; S459-E498 PolarHBondContact O-N 3.02Å; L495-E498 HydrophobicContact CD1-CG 4.36Å; L495-E498 HydrophobicContact CD2-CG 3.98Å; L495-E498 HydrophobicContact CG-CG 4.44Å; E498-F533 HydrophobicContact CB-CD1 4.05Å; E498-F533 HydrophobicContact CB-CE1 4.06Å; E498-F533 HydrophobicContact CG-CD1 3.72Å; E498-F533 HydrophobicContact CG-CE1 3.72Å
499I97.9Very high90.8Very high0 Ų045.8 Ų45.80%025%0.254CS..EExtended strand (participates in β ladder)trans-121.3124.9-172.9-62.3166.4000109T455 Y456 P457 F476 A497 V501 L531 I532 V534 I550 I552T455-I499 HydrophobicContact CG2-CG2 3.67Å; Y456-I499 WeakPolarHBondContact O-CA 3.31Å; P457-I499 HydrophobicContact CB-CG1 4.46Å; F476-I499 HydrophobicContact CE1-CD1 4.08Å; F476-I499 HydrophobicContact CE1-CG2 4.09Å; F476-I499 HydrophobicContact CZ-CG2 4.14Å; A497-I499 HydrophobicContact CB-CD1 4.38Å; A497-I499 HydrophobicContact CB-CG1 4.3Å; I499-V501 HydrophobicContact CG2-CG2 3.85Å; I499-L531 WeakPolarHBondContact O-CA 3.12Å; I499-I532 PolarHBondContact N-O 2.69Å; I499-I532 PolarHBondContact O-N 2.84Å; I499-V534 HydrophobicContact CD1-CG2 3.99Å; I499-I550 HydrophobicContact CD1-CD1 3.96Å; I499-I550 HydrophobicContact CD1-CG2 3.88Å; I499-I552 HydrophobicContact CD1-CD1 4.39Å; I499-I552 HydrophobicContact CG2-CD1 4.01Å
500F97.4Very high91.4Very high43 Ų4342.5 Ų42.519%0.18924%0.24CC..EExtended strand (participates in β ladder)trans-77.8128.6167.6179.5-99.2000109.8T455 Y456 Q458 P502 N530 L531T455-F500 VanDerWaalsContact CA-O 3.25Å; T455-F500 WeakPolarHBondContact CA-O 3.35Å; T455-F500 VanDerWaalsContact CG2-O 3.3Å; T455-F500 WeakPolarHBondContact CG2-O 3.44Å; Y456-F500 HydrophobicContact CD1-CB 4.09Å; Y456-F500 AromaticContact CD1-CD1 3.93Å; Y456-F500 HydrophobicContact CD1-CD1 3.93Å; Y456-F500 HydrophobicContact CD1-CG 4.43Å; Y456-F500 HydrophobicContact CE1-CB 3.69Å; Y456-F500 AromaticContact CE1-CD1 3.41Å; Y456-F500 HydrophobicContact CE1-CD1 3.41Å; Y456-F500 VanDerWaalsContact CE1-CD1 3.41Å; Y456-F500 HydrophobicContact CE1-CE1 4.28Å; Y456-F500 AromaticContact CE1-CG 3.78Å; Y456-F500 HydrophobicContact CE1-CG 3.78Å; Y456-F500 HydrophobicContact CE2-CB 4.41Å; Y456-F500 PolarHBondContact N-O 2.87Å; Y456-F500 VanDerWaalsContact N-O 3.1Å; Y456-F500 PolarHBondContact O-N 3.18Å; Q458-F500 HydrophobicContact CG-CB 4.1Å; F500-P502 HydrophobicContact CE1-CB 3.91Å; F500-P502 HydrophobicContact CE1-CG 4.28Å; F500-P502 HydrophobicContact CZ-CB 4.29Å; F500-N530 CarbonylContact C-O 3.49Å; F500-N530 WeakPolarHBondContact CA-O 3.28Å; F500-N530 HydrophobicContact CD2-CB 4.06Å; F500-N530 WeakPolarHBondContact CD2-O 3.35Å; F500-N530 HydrophobicContact CE2-CB 3.62Å; F500-N530 HydrophobicContact CZ-CB 4.29Å; F500-L531 HydrophobicContact CB-CD2 4.26Å; F500-L531 HydrophobicContact CD2-CD2 4.15Å
501V96.5Very high92.4Very high0 Ų039.6 Ų39.60%022%0.223CC..  trans-132103-175.5-177.10000107.5T455 I499 M503 Y507 V511 N530 I532 I552T455-V501 HydrophobicContact CG2-CG2 4.05Å; I499-V501 HydrophobicContact CG2-CG2 3.85Å; V501-M503 VanDerWaalsContact C-N 3.33Å; V501-M503 HydrophobicContact CG1-SD 3.89Å; V501-M503 PolarHBondContact O-N 3.49Å; V501-Y507 HydrophobicContact CG1-CD2 3.37Å; V501-Y507 HydrophobicContact CG1-CE2 3.49Å; V501-Y507 VanDerWaalsContact CG1-CE2 3.49Å; V501-Y507 HydrophobicContact CG1-CG 4Å; V501-V511 HydrophobicContact CG1-CG1 4Å; V501-N530 PolarHBondContact N-O 3.28Å; V501-N530 WeakPolarHBondContact O-CA 3.3Å; V501-N530 VanDerWaalsContact O-CB 3.25Å; V501-N530 WeakPolarHBondContact O-CB 3.42Å; V501-N530 PolarHBondContact O-OD1 2.78Å; V501-I532 HydrophobicContact CB-CD1 4.46Å; V501-I532 HydrophobicContact CB-CG1 4.5Å; V501-I532 HydrophobicContact CG2-CB 4.21Å; V501-I532 HydrophobicContact CG2-CD1 3.73Å; V501-I532 HydrophobicContact CG2-CG1 3.81Å; V501-I552 HydrophobicContact CG2-CD1 3.94Å
502P94Very high93.2Very high3 Ų338 Ų382%0.01921%0.209CC..  trans-71.884.4-177.829.1-36.6000111.8S453 T455 F500 S504 I505 H506 Y507S453-P502 WeakPolarHBondContact OG-CB 3.46Å; T455-P502 WeakPolarHBondContact OG1-CD 3.48Å; F500-P502 HydrophobicContact CE1-CB 3.91Å; F500-P502 HydrophobicContact CE1-CG 4.28Å; F500-P502 HydrophobicContact CZ-CB 4.29Å; P502-S504 VanDerWaalsContact C-N 3.34Å; P502-S504 PolarHBondContact O-N 3.34Å; P502-I505 HydrophobicContact CB-CB 4.43Å; P502-I505 PolarHBondContact O-N 2.77Å; P502-I505 VanDerWaalsContact O-N 3.16Å; P502-H506 HydrophobicContact CG-CB 4.46Å; P502-H506 PolarHBondContact O-N 3.48Å; P502-Y507 HydrophobicContact CG-CE2 4.44Å
503M92.5Very high93.7Very high44 Ų4437.8 Ų37.822%0.21721%0.206CC..Hα-helixtrans-58.1-44.3-170.4-68.3-66.4-68.400112.4V501 I505 Y507 P508 V511 T529 N530V501-M503 VanDerWaalsContact C-N 3.33Å; V501-M503 HydrophobicContact CG1-SD 3.89Å; V501-M503 PolarHBondContact O-N 3.49Å; M503-I505 VanDerWaalsContact C-N 3.27Å; M503-I505 PolarHBondContact O-N 3.21Å; M503-Y507 CarbonylContact O-C 3.55Å; M503-Y507 WeakPolarHBondContact O-CA 3.3Å; M503-Y507 PolarHBondContact O-N 2.97Å; M503-Y507 VanDerWaalsContact O-O 3.1Å; M503-P508 WeakPolarHBondContact O-CA 3.39Å; M503-V511 HydrophobicContact SD-CG1 4.15Å; M503-T529 WeakPolarHBondContact CG-O 3.39Å; M503-N530 WeakPolarHBondContact CB-OD1 3.32Å; M503-N530 PolarHBondContact N-OD1 3.41Å
504S89.8Confident94.1Very high68 Ų6841.8 Ų41.848%0.47621%0.213SC..Hα-helixtrans-69.8-21.3-176.8550000114.2V444 P502V444-S504 WeakPolarHBondContact CG1-O 3.42Å; P502-S504 VanDerWaalsContact C-N 3.34Å; P502-S504 PolarHBondContact O-N 3.34Å
505I90Very high94.4Very high31 Ų3141.9 Ų41.916%0.15921%0.212CC..Hα-helixtrans-101.9-49.8-172.6-64.5167.5000111.3V444 L449 K450 S453 P502 M503V444-I505 HydrophobicContact CG1-CG1 3.84Å; L449-I505 HydrophobicContact CB-CD1 4.47Å; K450-I505 HydrophobicContact CG-CG2 3.91Å; S453-I505 VanDerWaalsContact CB-CD1 3.46Å; S453-I505 VanDerWaalsContact OG-CD1 3.29Å; S453-I505 WeakPolarHBondContact OG-CD1 3.43Å; P502-I505 HydrophobicContact CB-CB 4.43Å; P502-I505 PolarHBondContact O-N 2.77Å; P502-I505 VanDerWaalsContact O-N 3.16Å; M503-I505 VanDerWaalsContact C-N 3.27Å; M503-I505 PolarHBondContact O-N 3.21Å
506H92.6Very high94.5Very high14 Ų1442.7 Ų42.77%0.06522%0.217CC..Hα-helixtrans-109.8-17.7-173.4-72.4-70.5000113.9K450 S453 F469 V471 P502 P508 P554K450-H506 PolarHBondContact O-CE1 3.28Å; K450-H506 PolarHBondContact O-NE2 3.29Å; S453-H506 PolarHBondContact O-CD2 3.04Å; S453-H506 PolarHBondContact O-NE2 3.24Å; F469-H506 AromaticContact CE1-NE2 3.83Å; F469-H506 AromaticContact CZ-CD2 3.63Å; F469-H506 AromaticContact CZ-CE1 3.7Å; F469-H506 AromaticContact CZ-CG 3.78Å; F469-H506 AromaticContact CZ-ND1 3.86Å; F469-H506 AromaticContact CZ-NE2 3.57Å; V471-H506 PolarHBondContact O-CE1 2.87Å; P502-H506 HydrophobicContact CG-CB 4.46Å; P502-H506 PolarHBondContact O-N 3.48Å; H506-P508 VanDerWaalsContact C-CD 3.43Å; H506-P554 WeakPolarHBondContact O-CG 3.33Å
507Y93.9Very high94.5Very high1 Ų143.2 Ų43.20%0.00422%0.22CC..  trans-133.747.9-174.3-46.9-85.7000113.2T455 G474 V501 P502 M503 H509 G510 V511 I552 P554T455-Y507 WeakPolarHBondContact OG1-CE2 3.23Å; T455-Y507 PolarHBondContact OG1-OH 3.08Å; G474-Y507 VanDerWaalsContact O-CE1 3.24Å; G474-Y507 WeakPolarHBondContact O-CE1 3.23Å; G474-Y507 PolarHBondContact O-OH 3.38Å; V501-Y507 HydrophobicContact CG1-CD2 3.37Å; V501-Y507 HydrophobicContact CG1-CE2 3.49Å; V501-Y507 VanDerWaalsContact CG1-CE2 3.49Å; V501-Y507 HydrophobicContact CG1-CG 4Å; P502-Y507 HydrophobicContact CG-CE2 4.44Å; M503-Y507 CarbonylContact O-C 3.55Å; M503-Y507 WeakPolarHBondContact O-CA 3.3Å; M503-Y507 PolarHBondContact O-N 2.97Å; M503-Y507 VanDerWaalsContact O-O 3.1Å; Y507-H509 PolarHBondContact O-N 3.47Å; Y507-H509 VanDerWaalsContact O-N 3.07Å; Y507-G510 PolarHBondContact O-N 3.32Å; Y507-V511 HydrophobicContact CD1-CG1 3.51Å; Y507-V511 HydrophobicContact CD2-CG1 4.44Å; Y507-V511 HydrophobicContact CE1-CG1 4.19Å; Y507-V511 HydrophobicContact CG-CG1 3.65Å; Y507-I552 HydrophobicContact CD1-CG2 4.47Å; Y507-I552 HydrophobicContact CE1-CG2 3.87Å; Y507-P554 HydrophobicContact CD1-CB 3.95Å; Y507-P554 HydrophobicContact CD1-CG 3.66Å; Y507-P554 HydrophobicContact CE1-CB 4.42Å; Y507-P554 HydrophobicContact CE1-CG 3.66Å
508P90.7Very high94.3Very high85 Ų8551.3 Ų51.355%0.55226%0.258SS*.THydrogen-bonded Turntrans-62.2-23.7-172.124.6-34.8000113.1M503 H506M503-P508 WeakPolarHBondContact O-CA 3.39Å; H506-P508 VanDerWaalsContact C-CD 3.43Å
509H92.5Very high94.1Very high99 Ų9954.1 Ų54.146%0.45827%0.271SS..THydrogen-bonded Turntrans-103.314.1178-53.5-61000113Y507 N555 N557Y507-H509 PolarHBondContact O-N 3.47Å; Y507-H509 VanDerWaalsContact O-N 3.07Å; H509-N555 HydrophobicContact CB-CB 4.31Å; H509-N555 WeakPolarHBondContact O-CB 3.47Å; H509-N555 PolarHBondContact O-ND2 3.02Å; H509-N557 PolarHBondContact CD2-ND2 3.07Å; H509-N557 PolarHBondContact CD2-OD1 3.07Å; H509-N557 PolarHBondContact CE1-OD1 3.23Å; H509-N557 PolarHBondContact ND1-OD1 3.23Å; H509-N557 VanDerWaalsContact ND1-OD1 3.15Å; H509-N557 PolarHBondContact NE2-ND2 3.33Å; H509-N557 PolarHBondContact NE2-OD1 3.22Å; H509-N557 VanDerWaalsContact NE2-OD1 3.11Å
510G93.7Very high93.9Very high16 Ų1654.5 Ų54.517%0.16527%0.273CS..  trans87.6-172.9-176.800000114Y507 N555Y507-G510 PolarHBondContact O-N 3.32Å; G510-N555 PolarHBondContact O-N 3.19Å
511V95.1Very high93.8Very high18 Ų1855.7 Ų55.711%0.10928%0.282CS..EExtended strand (participates in β ladder)trans-122.4149.4-171.9-60.70000112.1V501 M503 Y507 Y522 I532 I552 I553 N555V501-V511 HydrophobicContact CG1-CG1 4Å; M503-V511 HydrophobicContact SD-CG1 4.15Å; Y507-V511 HydrophobicContact CD1-CG1 3.51Å; Y507-V511 HydrophobicContact CD2-CG1 4.44Å; Y507-V511 HydrophobicContact CE1-CG1 4.19Å; Y507-V511 HydrophobicContact CG-CG1 3.65Å; V511-Y522 HydrophobicContact CG2-CE2 4.47Å; V511-I532 HydrophobicContact CG2-CD1 3.97Å; V511-I552 HydrophobicContact CB-CG2 3.81Å; V511-I552 HydrophobicContact CG1-CG2 3.69Å; V511-I553 WeakPolarHBondContact CA-O 3.39Å; V511-N555 PolarHBondContact N-ND2 2.98Å
512K95.5Very high93.7Very high118 Ų11859.6 Ų59.651%0.51330%0.297SS..EExtended strand (participates in β ladder)trans-112.7132.8161.7179.5174.7-178172.80108.8I553 N555K512-I553 PolarHBondContact N-O 3.15Å; K512-I553 PolarHBondContact O-N 3.27Å; K512-N555 PolarHBondContact N-OD1 3.24Å
513T95.7Very high93.8Very high32 Ų3265.9 Ų65.920%0.19632%0.324CS..EExtended strand (participates in β ladder)trans-105.9151.4177.961.70000111.9F515 Y522 T551 I552T513-F515 HydrophobicContact CG2-CE1 4.34Å; T513-F515 HydrophobicContact CG2-CZ 3.88Å; T513-F515 WeakPolarHBondContact OG1-CE2 3.01Å; T513-Y522 HydrophobicContact CG2-CD1 3.92Å; T513-Y522 HydrophobicContact CG2-CE1 3.62Å; T513-Y522 HydrophobicContact CG2-CG 4.49Å; T513-Y522 WeakPolarHBondContact OG1-CE1 3.31Å; T513-T551 CarbonylContact C-O 3.58Å; T513-T551 VanDerWaalsContact CA-O 3.28Å; T513-T551 WeakPolarHBondContact CA-O 3.15Å; T513-I552 HydrophobicContact CG2-CG1 4.34Å
514R97.2Very high93.8Very high155 Ų15567 Ų6759%0.58533%0.333SS*.EExtended strand (participates in β ladder)trans-129130.4162-54.4-177.3-169175.54.1107.7T551 I553R514-T551 PolarHBondContact N-O 2.96Å; R514-T551 PolarHBondContact O-N 3.47Å; R514-I553 HydrophobicContact CG-CD1 4.33Å
515F97.1Very high93.8Very high28 Ų2868.3 Ų68.312%0.12333%0.328CS..EExtended strand (participates in β ladder)trans-121143.4-179-59.8-51000110.6T513 P517 E518 L520 Y522 V534 E549 I550T513-F515 HydrophobicContact CG2-CE1 4.34Å; T513-F515 HydrophobicContact CG2-CZ 3.88Å; T513-F515 WeakPolarHBondContact OG1-CE2 3.01Å; F515-P517 CarbonylContact C-O 3.58Å; F515-P517 WeakPolarHBondContact CB-O 3.35Å; F515-P517 CarbonylContact O-C 3.56Å; F515-E518 WeakPolarHBondContact O-CA 3.49Å; F515-E518 PolarHBondContact O-N 3.3Å; F515-L520 HydrophobicContact CB-CB 3.86Å; F515-L520 HydrophobicContact CB-CD1 4.16Å; F515-L520 HydrophobicContact CB-CG 4.38Å; F515-L520 HydrophobicContact CD1-CB 4.45Å; F515-L520 HydrophobicContact CD2-CB 3.9Å; F515-L520 WeakPolarHBondContact CD2-O 3.2Å; F515-L520 HydrophobicContact CG-CB 3.84Å; F515-L520 HydrophobicContact CG-CD1 4.46Å; F515-Y522 AromaticContact CE2-CD1 3.75Å; F515-Y522 HydrophobicContact CE2-CD1 3.75Å; F515-Y522 AromaticContact CZ-CD1 3.63Å; F515-Y522 HydrophobicContact CZ-CD1 3.63Å; F515-Y522 HydrophobicContact CZ-CG 4.15Å; F515-V534 HydrophobicContact CE1-CG1 4.31Å; F515-V534 HydrophobicContact CE1-CG2 4.45Å; F515-E549 WeakPolarHBondContact CA-O 3.31Å; F515-I550 HydrophobicContact CD1-CB 4.31Å; F515-I550 HydrophobicContact CD1-CG1 3.93Å; F515-I550 HydrophobicContact CD1-CG2 4.18Å; F515-I550 HydrophobicContact CE1-CB 4.42Å; F515-I550 HydrophobicContact CE1-CG1 4.14Å; F515-I550 HydrophobicContact CE1-CG2 3.84Å
516N94.9Very high93.5Very high80 Ų8075.8 Ų75.843%0.42836%0.363SS..EExtended strand (participates in β ladder)trans-128.2115.7163.1-177.813.7000107.2I548 E549N516-I548 CarbonylContact O-C 3.58Å; N516-I548 WeakPolarHBondContact O-CA 3.16Å; N516-E549 HydrophobicContact CB-CB 4.03Å; N516-E549 HydrophobicContact CB-CG 4.32Å; N516-E549 WeakPolarHBondContact CB-OE2 3.42Å; N516-E549 PolarHBondContact N-O 2.93Å; N516-E549 PolarHBondContact ND2-OE2 2.86Å; N516-E549 PolarHBondContact O-N 3.07Å
517P93.2Very high93.2Very high15 Ų1581.6 Ų81.610%0.09739%0.394CS..SBendcis-69150.30.631.2-37.1000113F515 Q519 L520 L540 I545F515-P517 CarbonylContact C-O 3.58Å; F515-P517 WeakPolarHBondContact CB-O 3.35Å; F515-P517 CarbonylContact O-C 3.56Å; P517-Q519 PolarHBondContact O-N 2.93Å; P517-Q519 VanDerWaalsContact O-N 3.16Å; P517-L520 HydrophobicContact CG-CD2 4.4Å; P517-L520 HydrophobicContact CG-CG 4.14Å; P517-L520 WeakPolarHBondContact O-CG 3.46Å; P517-L520 PolarHBondContact O-N 3.01Å; P517-L540 HydrophobicContact CB-CD1 4.1Å; P517-L540 HydrophobicContact CB-CD2 4.12Å; P517-L540 HydrophobicContact CG-CD1 3.6Å; P517-L540 HydrophobicContact CG-CD2 4.21Å; P517-I545 HydrophobicContact CG-CD1 3.89Å
518E94Very high92.9Very high171 Ų17184.2 Ų84.280%0.79941%0.408SS*.THydrogen-bonded Turntrans-64.8-20.5-174.7-67.7-175.2168.100114F515 L520F515-E518 WeakPolarHBondContact O-CA 3.49Å; F515-E518 PolarHBondContact O-N 3.3Å; E518-L520 PolarHBondContact O-N 3.21Å
519Q92.4Very high92.9Very high116 Ų11684.4 Ų84.454%0.54241%0.408SS..THydrogen-bonded Turntrans-79.2-0.2-178.4-48.884-19.500113.3P517 P537 L540P517-Q519 PolarHBondContact O-N 2.93Å; P517-Q519 VanDerWaalsContact O-N 3.16Å; Q519-P537 HydrophobicContact CB-CG 4.33Å; Q519-P537 WeakPolarHBondContact O-CD 3.42Å; Q519-L540 HydrophobicContact CB-CD1 3.69Å; Q519-L540 HydrophobicContact CB-CG 4.27Å
520L94.2Very high93Very high8 Ų881.5 Ų81.54%0.04240%0.396CS..  trans-62.3146.4165.6-61.8-179.4000109.7F515 P517 E518 V534 Y535 M536 I548F515-L520 HydrophobicContact CB-CB 3.86Å; F515-L520 HydrophobicContact CB-CD1 4.16Å; F515-L520 HydrophobicContact CB-CG 4.38Å; F515-L520 HydrophobicContact CD1-CB 4.45Å; F515-L520 HydrophobicContact CD2-CB 3.9Å; F515-L520 WeakPolarHBondContact CD2-O 3.2Å; F515-L520 HydrophobicContact CG-CB 3.84Å; F515-L520 HydrophobicContact CG-CD1 4.46Å; P517-L520 HydrophobicContact CG-CD2 4.4Å; P517-L520 HydrophobicContact CG-CG 4.14Å; P517-L520 WeakPolarHBondContact O-CG 3.46Å; P517-L520 PolarHBondContact O-N 3.01Å; E518-L520 PolarHBondContact O-N 3.21Å; L520-V534 HydrophobicContact CB-CG1 4.42Å; L520-V534 HydrophobicContact CD1-CG1 4.43Å; L520-Y535 WeakPolarHBondContact CA-O 3.45Å; L520-M536 HydrophobicContact CD2-CB 3.5Å; L520-M536 HydrophobicContact CD2-CG 3.7Å; L520-I548 HydrophobicContact CD1-CG2 3.52Å
521N94.3Very high93.1Very high68 Ų6881.7 Ų81.736%0.36439%0.393SS..EExtended strand (participates in β ladder)trans-128.5167.1171.967.145.7000110V534 Y535N521-V534 CarbonylContact O-C 3.51Å; N521-V534 WeakPolarHBondContact O-CA 2.89Å; N521-Y535 PolarHBondContact N-O 3.27Å; N521-Y535 VanDerWaalsContact N-O 3.08Å; N521-Y535 PolarHBondContact O-N 2.66Å; N521-Y535 WeakPolarHBondContact OD1-CB 3.42Å
522Y95.5Very high93.1Very high81 Ų8181 Ų8132%0.31839%0.388SS..EExtended strand (participates in β ladder)trans-135.8158.3175.875.7-80.8000111.6V511 T513 F515 V524 I532 F533V511-Y522 HydrophobicContact CG2-CE2 4.47Å; T513-Y522 HydrophobicContact CG2-CD1 3.92Å; T513-Y522 HydrophobicContact CG2-CE1 3.62Å; T513-Y522 HydrophobicContact CG2-CG 4.49Å; T513-Y522 WeakPolarHBondContact OG1-CE1 3.31Å; F515-Y522 AromaticContact CE2-CD1 3.75Å; F515-Y522 HydrophobicContact CE2-CD1 3.75Å; F515-Y522 AromaticContact CZ-CD1 3.63Å; F515-Y522 HydrophobicContact CZ-CD1 3.63Å; F515-Y522 HydrophobicContact CZ-CG 4.15Å; Y522-V524 HydrophobicContact CE2-CG2 4.26Å; Y522-I532 HydrophobicContact CD2-CD1 4.18Å; Y522-I532 HydrophobicContact CD2-CG1 4.48Å; Y522-I532 HydrophobicContact CD2-CG2 3.63Å; Y522-I532 HydrophobicContact CE2-CD1 4.23Å; Y522-I532 HydrophobicContact CG-CG2 3.98Å; Y522-F533 CarbonylContact C-O 3.53Å; Y522-F533 WeakPolarHBondContact CA-O 3.34Å; Y522-F533 WeakPolarHBondContact CB-O 3.42Å
523K94.6Very high93.2Very high135 Ų13576.8 Ų76.859%0.58737%0.37SS*.EExtended strand (participates in β ladder)trans-130138.2169-63.4-177.2178.2-1790108.8F533 Y535K523-F533 PolarHBondContact N-O 3.22Å; K523-F533 PolarHBondContact O-N 2.83Å; K523-Y535 HydrophobicContact CB-CE2 4.19Å; K523-Y535 HydrophobicContact CD-CE2 4.17Å; K523-Y535 HydrophobicContact CG-CE2 4.12Å
524V92.4Very high93.2Very high69 Ų6975.3 Ų75.342%0.41836%0.361SS..EExtended strand (participates in β ladder)trans-75.7133.9166-178.50000107.3Y522 E526 L531 I532Y522-V524 HydrophobicContact CE2-CG2 4.26Å; V524-E526 PolarHBondContact O-N 3.23Å; V524-L531 WeakPolarHBondContact CA-O 3.28Å; V524-I532 HydrophobicContact CG2-CG1 4.41Å
525Y89.5Confident93.1Very high94 Ų9470 Ų7037%0.36934%0.341SS..EExtended strand (participates in β ladder)trans-69.4126.5-179.3-174.1-129.5000110.5N527 N528 L531 F533Y525-N527 HydrophobicContact CD1-CB 4.23Å; Y525-N527 HydrophobicContact CE1-CB 3.79Å; Y525-N527 PolarHBondContact O-N 2.85Å; Y525-N527 VanDerWaalsContact O-N 3.14Å; Y525-N528 HydrophobicContact CD1-CB 4Å; Y525-N528 CarbonylContact O-C 3.49Å; Y525-N528 VanDerWaalsContact O-C 3.25Å; Y525-N528 PolarHBondContact O-N 3.49Å; Y525-N528 VanDerWaalsContact O-N 3.09Å; Y525-N528 VanDerWaalsContact O-O 3.07Å; Y525-L531 HydrophobicContact CD1-CD1 4.14Å; Y525-L531 PolarHBondContact N-O 3.45Å; Y525-F533 HydrophobicContact CD1-CZ 4.48Å; Y525-F533 HydrophobicContact CD2-CD2 4.21Å; Y525-F533 AromaticContact CD2-CE2 3.36Å; Y525-F533 HydrophobicContact CD2-CE2 3.36Å; Y525-F533 AromaticContact CD2-CZ 3.81Å; Y525-F533 HydrophobicContact CD2-CZ 3.81Å; Y525-F533 AromaticContact CE2-CE2 3.92Å; Y525-F533 HydrophobicContact CE2-CE2 3.92Å; Y525-F533 HydrophobicContact CE2-CZ 4.3Å; Y525-F533 AromaticContact CG-CE2 3.88Å; Y525-F533 HydrophobicContact CG-CE2 3.88Å; Y525-F533 AromaticContact CG-CZ 3.91Å; Y525-F533 HydrophobicContact CG-CZ 3.91Å
526E85.1Confident92.9Very high189 Ų18968.9 Ų68.988%0.88334%0.336SS*.THydrogen-bonded Turntrans-57.8-34-171.2-65.6178.3179.500113.1V524V524-E526 PolarHBondContact O-N 3.23Å
527N85.2Confident92.7Very high135 Ų13566.2 Ų66.272%0.72232%0.324SS*.THydrogen-bonded Turntrans-92.9-9.7-177.4-65-29.5000114.1Y525Y525-N527 HydrophobicContact CD1-CB 4.23Å; Y525-N527 HydrophobicContact CE1-CB 3.79Å; Y525-N527 PolarHBondContact O-N 2.85Å; Y525-N527 VanDerWaalsContact O-N 3.14Å
528N88.4Confident92.4Very high57 Ų5765.6 Ų65.631%0.30532%0.32SS..EExtended strand (participates in β ladder)trans-150.1103.9177-173.7-6.8000109.8Y525 N530 L531Y525-N528 HydrophobicContact CD1-CB 4Å; Y525-N528 CarbonylContact O-C 3.49Å; Y525-N528 VanDerWaalsContact O-C 3.25Å; Y525-N528 PolarHBondContact O-N 3.49Å; Y525-N528 VanDerWaalsContact O-N 3.09Å; Y525-N528 VanDerWaalsContact O-O 3.07Å; N528-N530 PolarHBondContact O-N 3.44Å; N528-N530 WeakPolarHBondContact OD1-CB 3.35Å; N528-N530 PolarHBondContact OD1-N 2.92Å; N528-N530 PolarHBondContact OD1-ND2 3.23Å; N528-L531 HydrophobicContact CB-CD1 4.06Å; N528-L531 HydrophobicContact CB-CG 4.24Å; N528-L531 PolarHBondContact O-N 3.5Å
529T89.6Confident91.9Very high88 Ų8861.6 Ų61.654%0.5431%0.307SS..EExtended strand (participates in β ladder)trans-63.3-15.1-179.855.50000113.4M503 L531M503-T529 WeakPolarHBondContact CG-O 3.39Å; T529-L531 VanDerWaalsContact C-N 3.26Å; T529-L531 PolarHBondContact O-N 2.86Å
530N94.7Very high91.5Very high39 Ų3956.7 Ų56.721%0.20929%0.285CS..EExtended strand (participates in β ladder)trans-85.48.1175.2-55.7-56.9000113.5F500 V501 M503 N528F500-N530 CarbonylContact C-O 3.49Å; F500-N530 WeakPolarHBondContact CA-O 3.28Å; F500-N530 HydrophobicContact CD2-CB 4.06Å; F500-N530 WeakPolarHBondContact CD2-O 3.35Å; F500-N530 HydrophobicContact CE2-CB 3.62Å; F500-N530 HydrophobicContact CZ-CB 4.29Å; V501-N530 PolarHBondContact N-O 3.28Å; V501-N530 WeakPolarHBondContact O-CA 3.3Å; V501-N530 VanDerWaalsContact O-CB 3.25Å; V501-N530 WeakPolarHBondContact O-CB 3.42Å; V501-N530 PolarHBondContact O-OD1 2.78Å; M503-N530 WeakPolarHBondContact CB-OD1 3.32Å; M503-N530 PolarHBondContact N-OD1 3.41Å; N528-N530 PolarHBondContact O-N 3.44Å; N528-N530 WeakPolarHBondContact OD1-CB 3.35Å; N528-N530 PolarHBondContact OD1-N 2.92Å; N528-N530 PolarHBondContact OD1-ND2 3.23Å
531L96.2Very high90.5Very high20 Ų2057.2 Ų57.211%0.10529%0.287CS..EExtended strand (participates in β ladder)trans-119.4126.4177.1-67.3177.2000110.8I499 F500 V524 Y525 N528 T529 F533I499-L531 WeakPolarHBondContact O-CA 3.12Å; F500-L531 HydrophobicContact CB-CD2 4.26Å; F500-L531 HydrophobicContact CD2-CD2 4.15Å; V524-L531 WeakPolarHBondContact CA-O 3.28Å; Y525-L531 HydrophobicContact CD1-CD1 4.14Å; Y525-L531 PolarHBondContact N-O 3.45Å; N528-L531 HydrophobicContact CB-CD1 4.06Å; N528-L531 HydrophobicContact CB-CG 4.24Å; N528-L531 PolarHBondContact O-N 3.5Å; T529-L531 VanDerWaalsContact C-N 3.26Å; T529-L531 PolarHBondContact O-N 2.86Å; L531-F533 HydrophobicContact CB-CE1 4.46Å
532I96.6Very high89.3Confident2 Ų262.3 Ų62.31%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-111.3125.9172.4-66.4-170.9000109.2I499 V501 V511 Y522 V524 V534 I552I499-I532 PolarHBondContact N-O 2.69Å; I499-I532 PolarHBondContact O-N 2.84Å; V501-I532 HydrophobicContact CB-CD1 4.46Å; V501-I532 HydrophobicContact CB-CG1 4.5Å; V501-I532 HydrophobicContact CG2-CB 4.21Å; V501-I532 HydrophobicContact CG2-CD1 3.73Å; V501-I532 HydrophobicContact CG2-CG1 3.81Å; V511-I532 HydrophobicContact CG2-CD1 3.97Å; Y522-I532 HydrophobicContact CD2-CD1 4.18Å; Y522-I532 HydrophobicContact CD2-CG1 4.48Å; Y522-I532 HydrophobicContact CD2-CG2 3.63Å; Y522-I532 HydrophobicContact CE2-CD1 4.23Å; Y522-I532 HydrophobicContact CG-CG2 3.98Å; V524-I532 HydrophobicContact CG2-CG1 4.41Å; I532-V534 HydrophobicContact CG2-CG2 4.12Å; I532-I552 HydrophobicContact CD1-CD1 4.41Å
533F97Very high88.3Confident30 Ų3062.8 Ų62.813%0.13232%0.317CS..EExtended strand (participates in β ladder)trans-101121172.4-66.6-15.2000109.5L495 E498 Y522 K523 Y525 L531 Y535L495-F533 HydrophobicContact CD1-CB 3.69Å; L495-F533 HydrophobicContact CD1-CD1 4.5Å; L495-F533 HydrophobicContact CD1-CG 4.11Å; E498-F533 HydrophobicContact CB-CD1 4.05Å; E498-F533 HydrophobicContact CB-CE1 4.06Å; E498-F533 HydrophobicContact CG-CD1 3.72Å; E498-F533 HydrophobicContact CG-CE1 3.72Å; Y522-F533 CarbonylContact C-O 3.53Å; Y522-F533 WeakPolarHBondContact CA-O 3.34Å; Y522-F533 WeakPolarHBondContact CB-O 3.42Å; K523-F533 PolarHBondContact N-O 3.22Å; K523-F533 PolarHBondContact O-N 2.83Å; Y525-F533 HydrophobicContact CD1-CZ 4.48Å; Y525-F533 HydrophobicContact CD2-CD2 4.21Å; Y525-F533 AromaticContact CD2-CE2 3.36Å; Y525-F533 HydrophobicContact CD2-CE2 3.36Å; Y525-F533 AromaticContact CD2-CZ 3.81Å; Y525-F533 HydrophobicContact CD2-CZ 3.81Å; Y525-F533 AromaticContact CE2-CE2 3.92Å; Y525-F533 HydrophobicContact CE2-CE2 3.92Å; Y525-F533 HydrophobicContact CE2-CZ 4.3Å; Y525-F533 AromaticContact CG-CE2 3.88Å; Y525-F533 HydrophobicContact CG-CE2 3.88Å; Y525-F533 AromaticContact CG-CZ 3.91Å; Y525-F533 HydrophobicContact CG-CZ 3.91Å; L531-F533 HydrophobicContact CB-CE1 4.46Å; F533-Y535 HydrophobicContact CB-CE2 3.61Å; F533-Y535 WeakPolarHBondContact O-CD2 3.47Å; F533-Y535 WeakPolarHBondContact O-CE2 3.44Å
534V96.3Very high87.3Confident1 Ų161.4 Ų61.41%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-101.2129179.8-176.70000109.3V496 A497 I499 F515 L520 N521 I532 I550V496-V534 HydrophobicContact CG2-CB 4.26Å; V496-V534 HydrophobicContact CG2-CG1 3.95Å; V496-V534 VanDerWaalsContact CG2-O 3.29Å; V496-V534 WeakPolarHBondContact CG2-O 3.33Å; V496-V534 PolarHBondContact N-O 2.85Å; A497-V534 HydrophobicContact CB-CB 4.34Å; A497-V534 PolarHBondContact N-O 3.36Å; A497-V534 PolarHBondContact O-N 3.39Å; I499-V534 HydrophobicContact CD1-CG2 3.99Å; F515-V534 HydrophobicContact CE1-CG1 4.31Å; F515-V534 HydrophobicContact CE1-CG2 4.45Å; L520-V534 HydrophobicContact CB-CG1 4.42Å; L520-V534 HydrophobicContact CD1-CG1 4.43Å; N521-V534 CarbonylContact O-C 3.51Å; N521-V534 WeakPolarHBondContact O-CA 2.89Å; I532-V534 HydrophobicContact CG2-CG2 4.12Å; V534-I550 HydrophobicContact CB-CD1 4.29Å; V534-I550 HydrophobicContact CG1-CD1 4.04Å; V534-I550 HydrophobicContact CG2-CD1 4.07Å
535Y94.5Very high86.8Confident44 Ų4459.7 Ų59.717%0.17331%0.305CS..EExtended strand (participates in β ladder)trans-118.5143.3-178.4-55.2-97.8000112.7L494 L495 L520 N521 K523 F533L494-Y535 CarbonylContact O-C 3.57Å; L494-Y535 WeakPolarHBondContact O-CA 3.17Å; L495-Y535 HydrophobicContact CB-CD1 4.11Å; L495-Y535 HydrophobicContact CB-CE1 3.96Å; L495-Y535 HydrophobicContact CD1-CD1 4.35Å; L495-Y535 HydrophobicContact CD1-CE1 4Å; L520-Y535 WeakPolarHBondContact CA-O 3.45Å; N521-Y535 PolarHBondContact N-O 3.27Å; N521-Y535 VanDerWaalsContact N-O 3.08Å; N521-Y535 PolarHBondContact O-N 2.66Å; N521-Y535 WeakPolarHBondContact OD1-CB 3.42Å; K523-Y535 HydrophobicContact CB-CE2 4.19Å; K523-Y535 HydrophobicContact CD-CE2 4.17Å; K523-Y535 HydrophobicContact CG-CE2 4.12Å; F533-Y535 HydrophobicContact CB-CE2 3.61Å; F533-Y535 WeakPolarHBondContact O-CD2 3.47Å; F533-Y535 WeakPolarHBondContact O-CE2 3.44Å
536M91.9Very high86.7Confident4 Ų462.5 Ų62.52%0.0232%0.321CS..EExtended strand (participates in β ladder)trans-109124.4173.2-176.2174.157.200110.3T493 L494 V496 L520 L540 I541 I545 I548T493-M536 CarbonylContact C-O 3.56Å; T493-M536 WeakPolarHBondContact CA-O 3.21Å; L494-M536 PolarHBondContact N-O 3.38Å; L494-M536 PolarHBondContact O-N 2.86Å; V496-M536 HydrophobicContact CG1-CB 3.57Å; V496-M536 HydrophobicContact CG1-CE 3.97Å; V496-M536 HydrophobicContact CG2-CB 4.37Å; L520-M536 HydrophobicContact CD2-CB 3.5Å; L520-M536 HydrophobicContact CD2-CG 3.7Å; M536-L540 HydrophobicContact CG-CB 4.04Å; M536-L540 HydrophobicContact CG-CD1 4.17Å; M536-L540 HydrophobicContact SD-CB 4.39Å; M536-I541 HydrophobicContact CE-CD1 4.09Å; M536-I541 HydrophobicContact CE-CG1 3.46Å; M536-I541 VanDerWaalsContact CE-CG1 3.46Å; M536-I541 HydrophobicContact SD-CG1 4.29Å; M536-I545 HydrophobicContact SD-CD1 3.78Å; M536-I548 HydrophobicContact SD-CD1 4.03Å
537P90.7Very high87.1Confident24 Ų2456.3 Ų56.316%0.15629%0.294CS..EExtended strand (participates in β ladder)trans-65140173.328.2-35000110.8Q519 T539 L540Q519-P537 HydrophobicContact CB-CG 4.33Å; Q519-P537 WeakPolarHBondContact O-CD 3.42Å; P537-T539 PolarHBondContact O-N 2.76Å; P537-T539 VanDerWaalsContact O-N 3.09Å; P537-L540 HydrophobicContact CG-CB 4.31Å; P537-L540 HydrophobicContact CG-CD1 3.74Å; P537-L540 HydrophobicContact CG-CG 4.03Å; P537-L540 WeakPolarHBondContact O-CB 3.49Å; P537-L540 PolarHBondContact O-N 3.16Å
538C86.5Confident87.5Confident3 Ų349.9 Ų49.92%0.0226%0.259CS..Hα-helixtrans-64.9-18.1-176.7-73.80000114.7C487 N489 S492 L540 I541C487-C538 HydrophobicContact CB-CB 3.5Å; C487-C538 VanDerWaalsContact CB-CB 3.5Å; C487-C538 WeakPolarHBondContact CB-SG 3.18Å; C487-C538 WeakPolarHBondContact SG-CB 3.48Å; C487-C538 CovalentContact SG-SG 2.01Å; C487-C538 PolarHBondContact SG-SG 3.37Å; N489-C538 WeakPolarHBondContact O-CB 3.46Å; S492-C538 WeakPolarHBondContact O-CB 3.5Å; S492-C538 PolarHBondContact O-N 3.37Å; S492-C538 PolarHBondContact O-SG 2.82Å; S492-C538 PolarHBondContact OG-SG 3.03Å; C538-L540 VanDerWaalsContact C-N 3.25Å; C538-L540 PolarHBondContact O-N 3.44Å; C538-I541 HydrophobicContact CB-CD1 4.18Å; C538-I541 PolarHBondContact O-N 2.63Å
539T84.7Confident88Confident87 Ų8749.6 Ų49.653%0.53426%0.256SS..Hα-helixtrans-61.5-32171.650.70000112.9P537P537-T539 PolarHBondContact O-N 2.76Å; P537-T539 VanDerWaalsContact O-N 3.09Å
540L83.1Confident88.4Confident13 Ų1345.5 Ų45.57%0.06823%0.231CC..Hα-helixtrans-74.2-25.5179.2-91.8178.8000113.2P517 Q519 M536 P537 C538 K542 T543 I545P517-L540 HydrophobicContact CB-CD1 4.1Å; P517-L540 HydrophobicContact CB-CD2 4.12Å; P517-L540 HydrophobicContact CG-CD1 3.6Å; P517-L540 HydrophobicContact CG-CD2 4.21Å; Q519-L540 HydrophobicContact CB-CD1 3.69Å; Q519-L540 HydrophobicContact CB-CG 4.27Å; M536-L540 HydrophobicContact CG-CB 4.04Å; M536-L540 HydrophobicContact CG-CD1 4.17Å; M536-L540 HydrophobicContact SD-CB 4.39Å; P537-L540 HydrophobicContact CG-CB 4.31Å; P537-L540 HydrophobicContact CG-CD1 3.74Å; P537-L540 HydrophobicContact CG-CG 4.03Å; P537-L540 WeakPolarHBondContact O-CB 3.49Å; P537-L540 PolarHBondContact O-N 3.16Å; C538-L540 VanDerWaalsContact C-N 3.25Å; C538-L540 PolarHBondContact O-N 3.44Å; L540-K542 PolarHBondContact O-N 3.4Å; L540-T543 PolarHBondContact O-N 3.24Å; L540-T543 VanDerWaalsContact O-N 3.07Å; L540-T543 PolarHBondContact O-OG1 3.06Å; L540-I545 HydrophobicContact CB-CD1 3.71Å; L540-I545 HydrophobicContact CD1-CD1 4.42Å; L540-I545 HydrophobicContact CD2-CD1 4.09Å; L540-I545 HydrophobicContact CG-CD1 4.29Å; L540-I545 VanDerWaalsContact O-CD1 3.31Å; L540-I545 WeakPolarHBondContact O-CD1 3.36Å
541I74.3Confident88.6Confident18 Ų1844.9 Ų44.99%0.09223%0.229CC..Hα-helixtrans-63.7-30.6-176.2-66.6165000111.9K485 C487 L494 M536 C538 T543K485-I541 WeakPolarHBondContact O-CG2 3.37Å; C487-I541 HydrophobicContact CB-CD1 3.41Å; C487-I541 VanDerWaalsContact CB-CD1 3.41Å; L494-I541 HydrophobicContact CD1-CD1 3.27Å; L494-I541 HydrophobicContact CD1-CG1 4.4Å; L494-I541 HydrophobicContact CG-CD1 4.17Å; M536-I541 HydrophobicContact CE-CD1 4.09Å; M536-I541 HydrophobicContact CE-CG1 3.46Å; M536-I541 VanDerWaalsContact CE-CG1 3.46Å; M536-I541 HydrophobicContact SD-CG1 4.29Å; C538-I541 HydrophobicContact CB-CD1 4.18Å; C538-I541 PolarHBondContact O-N 2.63Å; I541-T543 PolarHBondContact O-N 3.02Å
542K68.6Low88.7Confident175 Ų17544 Ų4476%0.76122%0.224SC*.THydrogen-bonded Turntrans-71.2-14.4179-68.3-173.7178.3-178.20113.6L540 N544L540-K542 PolarHBondContact O-N 3.4Å; K542-N544 PolarHBondContact O-N 3.5Å
543T73.8Confident88.7Confident91 Ų9145.6 Ų45.656%0.55823%0.232SC*.THydrogen-bonded Turntrans-87.913.2-176.566.30000113.3L540 I541 I545L540-T543 PolarHBondContact O-N 3.24Å; L540-T543 VanDerWaalsContact O-N 3.07Å; L540-T543 PolarHBondContact O-OG1 3.06Å; I541-T543 PolarHBondContact O-N 3.02Å; T543-I545 PolarHBondContact O-N 2.95Å
544N74.1Confident88.7Confident106 Ų10645.5 Ų45.557%0.56724%0.235SC*.  trans52.350.9177.9-157.541000112.2K542 E546K542-N544 PolarHBondContact O-N 3.5Å; N544-E546 PolarHBondContact O-N 3.04Å
545I81.4Confident88.6Confident33 Ų3348.5 Ų48.517%0.16925%0.251CS..  trans-60.4119179.4-64.3164.6000109.4P482 P517 M536 L540 T543 L547 I548P482-I545 HydrophobicContact CG-CG2 4.33Å; P517-I545 HydrophobicContact CG-CD1 3.89Å; M536-I545 HydrophobicContact SD-CD1 3.78Å; L540-I545 HydrophobicContact CB-CD1 3.71Å; L540-I545 HydrophobicContact CD1-CD1 4.42Å; L540-I545 HydrophobicContact CD2-CD1 4.09Å; L540-I545 HydrophobicContact CG-CD1 4.29Å; L540-I545 VanDerWaalsContact O-CD1 3.31Å; L540-I545 WeakPolarHBondContact O-CD1 3.36Å; T543-I545 PolarHBondContact O-N 2.95Å; I545-L547 VanDerWaalsContact CG2-O 3.27Å; I545-L547 WeakPolarHBondContact CG2-O 3.36Å; I545-I548 HydrophobicContact CG2-CG1 4.12Å
546E87.3Confident88Confident153 Ų15355.3 Ų55.372%0.71528%0.284SS*.  trans-86.5-25.8179.6-60.4-171.7160.800112.3V481 N544V481-E546 WeakPolarHBondContact CG2-O 3.41Å; N544-E546 PolarHBondContact O-N 3.04Å
547L93.6Very high86.6Confident59 Ų5964 Ų6431%0.30933%0.33SS..  trans-150.4136.1-175-166.868.7000111.1V465 A479 V481 I545 E549V465-L547 HydrophobicContact CB-CD1 4.33Å; V465-L547 HydrophobicContact CG2-CD1 4.08Å; A479-L547 HydrophobicContact CB-CD1 4.19Å; A479-L547 HydrophobicContact CB-CG 4.44Å; V481-L547 HydrophobicContact CG2-CD1 4.44Å; I545-L547 VanDerWaalsContact CG2-O 3.27Å; I545-L547 WeakPolarHBondContact CG2-O 3.36Å; L547-E549 HydrophobicContact CD2-CG 3.89Å; L547-E549 HydrophobicContact CG-CG 4.1Å
548I95.2Very high86.4Confident0 Ų066 Ų660%034%0.339CS..EExtended strand (participates in β ladder)trans-107132.2166-70.5171.1000107.9A479 F480 P482 N516 L520 M536 I545 I550A479-I548 CarbonylContact C-O 3.52Å; A479-I548 WeakPolarHBondContact CA-O 3.23Å; F480-I548 HydrophobicContact CD1-CB 4.26Å; F480-I548 HydrophobicContact CD1-CG2 4.19Å; F480-I548 HydrophobicContact CD2-CB 4.48Å; F480-I548 HydrophobicContact CE1-CB 3.87Å; F480-I548 HydrophobicContact CE1-CG2 3.46Å; F480-I548 VanDerWaalsContact CE1-CG2 3.46Å; F480-I548 HydrophobicContact CE2-CB 4.12Å; F480-I548 HydrophobicContact CE2-CD1 3.71Å; F480-I548 HydrophobicContact CE2-CG1 4.45Å; F480-I548 HydrophobicContact CE2-CG2 4.41Å; F480-I548 HydrophobicContact CZ-CB 3.8Å; F480-I548 HydrophobicContact CZ-CD1 3.72Å; F480-I548 HydrophobicContact CZ-CG1 4.36Å; F480-I548 HydrophobicContact CZ-CG2 3.59Å; F480-I548 PolarHBondContact N-O 3.36Å; F480-I548 PolarHBondContact O-N 3.01Å; P482-I548 HydrophobicContact CB-CD1 4.11Å; P482-I548 HydrophobicContact CG-CD1 4.16Å; P482-I548 HydrophobicContact CG-CG1 4.47Å; N516-I548 CarbonylContact O-C 3.58Å; N516-I548 WeakPolarHBondContact O-CA 3.16Å; L520-I548 HydrophobicContact CD1-CG2 3.52Å; M536-I548 HydrophobicContact SD-CD1 4.03Å; I545-I548 HydrophobicContact CG2-CG1 4.12Å; I548-I550 HydrophobicContact CG2-CD1 4.31Å; I548-I550 HydrophobicContact CG2-CG1 4.17Å
549E97.9Very high86.4Confident52 Ų5269.3 Ų69.324%0.24336%0.356CS..EExtended strand (participates in β ladder)trans-123133.2175.3-48.1173132.300109.8Y477 Y478 A479 F515 N516 L547Y477-E549 HydrophobicContact CE2-CB 4.27Å; Y477-E549 PolarHBondContact OH-OE1 3.19Å; Y478-E549 CarbonylContact O-C 3.5Å; Y478-E549 WeakPolarHBondContact O-CA 3.32Å; A479-E549 HydrophobicContact CB-CG 4.09Å; F515-E549 WeakPolarHBondContact CA-O 3.31Å; N516-E549 HydrophobicContact CB-CB 4.03Å; N516-E549 HydrophobicContact CB-CG 4.32Å; N516-E549 WeakPolarHBondContact CB-OE2 3.42Å; N516-E549 PolarHBondContact N-O 2.93Å; N516-E549 PolarHBondContact ND2-OE2 2.86Å; N516-E549 PolarHBondContact O-N 3.07Å; L547-E549 HydrophobicContact CD2-CG 3.89Å; L547-E549 HydrophobicContact CG-CG 4.1Å
550I98.3Very high86.5Confident1 Ų168.3 Ų68.31%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-127120.2-179.1-64.7163.4000107.4F476 Y477 Y478 F480 A497 I499 F515 V534 I548 I552F476-I550 HydrophobicContact CE1-CG2 4.38Å; Y477-I550 CarbonylContact C-O 3.54Å; Y477-I550 WeakPolarHBondContact CA-O 3.32Å; Y478-I550 HydrophobicContact CD1-CD1 4.38Å; Y478-I550 PolarHBondContact N-O 3.39Å; Y478-I550 PolarHBondContact O-N 3.07Å; F480-I550 HydrophobicContact CE1-CD1 3.89Å; A497-I550 HydrophobicContact CB-CD1 4.19Å; I499-I550 HydrophobicContact CD1-CD1 3.96Å; I499-I550 HydrophobicContact CD1-CG2 3.88Å; F515-I550 HydrophobicContact CD1-CB 4.31Å; F515-I550 HydrophobicContact CD1-CG1 3.93Å; F515-I550 HydrophobicContact CD1-CG2 4.18Å; F515-I550 HydrophobicContact CE1-CB 4.42Å; F515-I550 HydrophobicContact CE1-CG1 4.14Å; F515-I550 HydrophobicContact CE1-CG2 3.84Å; V534-I550 HydrophobicContact CB-CD1 4.29Å; V534-I550 HydrophobicContact CG1-CD1 4.04Å; V534-I550 HydrophobicContact CG2-CD1 4.07Å; I548-I550 HydrophobicContact CG2-CD1 4.31Å; I548-I550 HydrophobicContact CG2-CG1 4.17Å; I550-I552 HydrophobicContact CG2-CG1 4.15Å
551T98.3Very high86.7Confident27 Ų2771.5 Ų71.517%0.16636%0.362CS..EExtended strand (participates in β ladder)trans-115.2128.9170.4-48.80000109.2V475 F476 T513 R514 I553V475-T551 HydrophobicContact CG1-CG2 4.25Å; F476-T551 CarbonylContact O-C 3.59Å; F476-T551 VanDerWaalsContact O-CA 3.23Å; F476-T551 WeakPolarHBondContact O-CA 3.23Å; F476-T551 WeakPolarHBondContact O-CG2 3.41Å; T513-T551 CarbonylContact C-O 3.58Å; T513-T551 VanDerWaalsContact CA-O 3.28Å; T513-T551 WeakPolarHBondContact CA-O 3.15Å; R514-T551 PolarHBondContact N-O 2.96Å; R514-T551 PolarHBondContact O-N 3.47Å; T551-I553 HydrophobicContact CG2-CD1 4.16Å; T551-I553 HydrophobicContact CG2-CG1 3.85Å
552I97.9Very high87.5Confident1 Ų174.9 Ų74.91%0.00538%0.379CS..EExtended strand (participates in β ladder)trans-116.2127.2173.3-56.5175.6000107.7T455 F476 I499 V501 Y507 V511 T513 I532 I550T455-I552 HydrophobicContact CG2-CD1 4.22Å; F476-I552 HydrophobicContact CB-CB 4.18Å; F476-I552 HydrophobicContact CD1-CB 4.11Å; F476-I552 HydrophobicContact CD1-CD1 3.87Å; F476-I552 HydrophobicContact CD1-CG1 3.91Å; F476-I552 HydrophobicContact CE1-CD1 4.21Å; F476-I552 PolarHBondContact N-O 2.75Å; F476-I552 PolarHBondContact O-N 2.96Å; I499-I552 HydrophobicContact CD1-CD1 4.39Å; I499-I552 HydrophobicContact CG2-CD1 4.01Å; V501-I552 HydrophobicContact CG2-CD1 3.94Å; Y507-I552 HydrophobicContact CD1-CG2 4.47Å; Y507-I552 HydrophobicContact CE1-CG2 3.87Å; V511-I552 HydrophobicContact CB-CG2 3.81Å; V511-I552 HydrophobicContact CG1-CG2 3.69Å; T513-I552 HydrophobicContact CG2-CG1 4.34Å; I532-I552 HydrophobicContact CD1-CD1 4.41Å; I550-I552 HydrophobicContact CG2-CG1 4.15Å
553I97.5Very high88.8Confident35 Ų3568.2 Ų68.218%0.17935%0.354CS..EExtended strand (participates in β ladder)trans-125.5135.6-173.9-54.2171.4000107.6V475 V511 K512 R514 T551V475-I553 HydrophobicContact CG1-CG1 4.5Å; V475-I553 HydrophobicContact CG2-CG2 4.28Å; V511-I553 WeakPolarHBondContact CA-O 3.39Å; K512-I553 PolarHBondContact N-O 3.15Å; K512-I553 PolarHBondContact O-N 3.27Å; R514-I553 HydrophobicContact CG-CD1 4.33Å; T551-I553 HydrophobicContact CG2-CD1 4.16Å; T551-I553 HydrophobicContact CG2-CG1 3.85Å
554P96.1Very high89.8Confident28 Ų2866.6 Ų66.618%0.18234%0.339CS..EExtended strand (participates in β ladder)trans-61.1140171.3-21.333.4000112.4S473 H506 Y507 Q556S473-P554 WeakPolarHBondContact O-CD 3.43Å; S473-P554 VanDerWaalsContact O-CG 3.26Å; S473-P554 WeakPolarHBondContact O-CG 3.37Å; H506-P554 WeakPolarHBondContact O-CG 3.33Å; Y507-P554 HydrophobicContact CD1-CB 3.95Å; Y507-P554 HydrophobicContact CD1-CG 3.66Å; Y507-P554 HydrophobicContact CE1-CB 4.42Å; Y507-P554 HydrophobicContact CE1-CG 3.66Å; P554-Q556 PolarHBondContact O-N 3.06Å
555N93.9Very high91Very high64 Ų6463.5 Ų63.534%0.34232%0.322SS..PPolyproline II helixtrans-65.7131.5166.6-72.7-23.1000109H509 G510 V511 K512H509-N555 HydrophobicContact CB-CB 4.31Å; H509-N555 WeakPolarHBondContact O-CB 3.47Å; H509-N555 PolarHBondContact O-ND2 3.02Å; G510-N555 PolarHBondContact O-N 3.19Å; V511-N555 PolarHBondContact N-ND2 2.98Å; K512-N555 PolarHBondContact N-OD1 3.24Å
556Q83.5Confident91.8Very high187 Ų18766.1 Ų66.187%0.87434%0.335SS*.PPolyproline II helixtrans-75.7143.9170.4-64.5-170.3-19.100109.2P554P554-Q556 PolarHBondContact O-N 3.06Å
557N62.7Low92.3Very high186 Ų18658.2 Ų58.2100%0.99530%0.3SS*.  trans-63.70169.5-87.2-29.3000112.3H509H509-N557 PolarHBondContact CD2-ND2 3.07Å; H509-N557 PolarHBondContact CD2-OD1 3.07Å; H509-N557 PolarHBondContact CE1-OD1 3.23Å; H509-N557 PolarHBondContact ND1-OD1 3.23Å; H509-N557 VanDerWaalsContact ND1-OD1 3.15Å; H509-N557 PolarHBondContact NE2-ND2 3.33Å; H509-N557 PolarHBondContact NE2-OD1 3.22Å; H509-N557 VanDerWaalsContact NE2-OD1 3.11Å

Retrieved 557 of 557 residues in 207.3 ms (Link to these results)

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