A0A096N493_PAPAN Loading...

Proteasome subunit alpha type

AlphaFold DB (G7NKI2), UniProt , Accession A0A096N493, Species PAPAN (Papio anubis, Olive baboon), Gene PSMA8, Length 256 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
1M42.5Very low66.2Low246 Ų246126.5 Ų126.5100%1.21264%0.644SS**  0112.40-69-176.2-175.800107.3S3M1-S3 PolarHBondContact O-N 2.85Å
2A47.8Very low68.2Low96 Ų96128.6 Ų128.679%0.79365%0.646SS**  trans-63.1127.8-176.300000110.1R4A2-R4 VanDerWaalsContact C-N 3.31Å; A2-R4 PolarHBondContact O-N 2.94Å
3S56Low69.8Low102 Ų102119.5 Ų119.571%0.71360%0.602SS**  trans-62.299.4166.355.50000107.3M1 Y5M1-S3 PolarHBondContact O-N 2.85Å; S3-Y5 PolarHBondContact O-N 3.31Å
4R60Low71.4Confident201 Ų201120.6 Ų120.676%0.75862%0.622SS**  trans-65.3127-179.5-130.3158.3176.7-144.515106.9A2 D6A2-R4 VanDerWaalsContact C-N 3.31Å; A2-R4 PolarHBondContact O-N 2.94Å; R4-D6 HydrophobicContact CB-CB 4.25Å; R4-D6 WeakPolarHBondContact CD-OD2 3.41Å; R4-D6 WeakPolarHBondContact CG-OD2 3.34Å; R4-D6 IonicContact CZ-OD2 2.96Å; R4-D6 IonicContact NE-OD2 3.86Å; R4-D6 IonicContact NH1-OD2 3.75Å; R4-D6 PolarHBondContact NH1-OD2 3.32Å; R4-D6 PolarHBondContact O-N 3.17Å
5Y63Low72.8Confident212 Ų212121.1 Ų121.183%0.83163%0.626SS**  trans-68.137.4172.5-66.6-88.4000111.7S3 R7S3-Y5 PolarHBondContact O-N 3.31Å; Y5-R7 PolarHBondContact O-N 2.89Å
6D62.9Low73.9Confident81 Ų81116.7 Ų116.743%0.43362%0.619SS.*  trans-8039.2-177.6-74.2-12.6000111.2R4R4-D6 HydrophobicContact CB-CB 4.25Å; R4-D6 WeakPolarHBondContact CD-OD2 3.41Å; R4-D6 WeakPolarHBondContact CG-OD2 3.34Å; R4-D6 IonicContact CZ-OD2 2.96Å; R4-D6 IonicContact NE-OD2 3.86Å; R4-D6 IonicContact NH1-OD2 3.75Å; R4-D6 PolarHBondContact NH1-OD2 3.32Å; R4-D6 PolarHBondContact O-N 3.17Å
7R72.1Confident74.9Confident210 Ų210115.1 Ų115.179%0.79261%0.607SS**  trans-75.4142173-75.9-175.2169.4-174.3-3.4109.9Y5 I9 G131Y5-R7 PolarHBondContact O-N 2.89Å; R7-I9 PolarHBondContact O-N 3.24Å; R7-G131 PolarHBondContact O-N 3Å
8A77.2Confident75.8Confident63 Ų63111.5 Ų111.552%0.52159%0.588SS.*  trans-66.7117168.600000108.7V11A8-V11 HydrophobicContact CB-CG1 4.25Å
9I79.8Confident76.6Confident64 Ų64110.2 Ų110.233%0.32858%0.577SS.*  trans-96.2-40-179.5-60.7176.8000110.1R7 V11 Q20R7-I9 PolarHBondContact O-N 3.24Å; I9-V11 PolarHBondContact O-N 2.77Å; I9-Q20 HydrophobicContact CG2-CG 4.34Å
10T80.6Confident77.3Confident26 Ų26108.2 Ų108.216%0.1657%0.565CS.*SBendtrans-90.591.5178.340.50000109.7Q20 T127 P134T10-Q20 HydrophobicContact CG2-CB 3.87Å; T10-Q20 HydrophobicContact CG2-CG 4.16Å; T10-T127 WeakPolarHBondContact CB-O 3.49Å; T10-T127 WeakPolarHBondContact CG2-O 3.41Å; T10-T127 PolarHBondContact OG1-O 3.18Å; T10-P134 HydrophobicContact CG2-CG 3.85Å
11V86.9Confident77.9Confident90 Ų90103.7 Ų103.755%0.54554%0.542SS..  trans-108.5147.6176.5-65.50000110.3A8 I9A8-V11 HydrophobicContact CB-CG1 4.25Å; I9-V11 PolarHBondContact O-N 2.77Å
12F90Very high80.2Confident152 Ų15295.1 Ų95.167%0.66750%0.499SS*.  trans-69138172.2-72.9-81.7000110.2H17 L18F12-H17 CarbonylContact C-O 3.58Å; F12-H17 WeakPolarHBondContact CA-O 3.12Å; F12-L18 HydrophobicContact CD1-CD2 3.8Å; F12-L18 HydrophobicContact CD1-CG 4.09Å; F12-L18 HydrophobicContact CD2-CD2 4.37Å; F12-L18 HydrophobicContact CE1-CD1 4.25Å; F12-L18 HydrophobicContact CE1-CD2 3.91Å; F12-L18 HydrophobicContact CE1-CG 3.94Å; F12-L18 HydrophobicContact CE2-CD2 4.46Å; F12-L18 HydrophobicContact CG-CD2 4.05Å; F12-L18 HydrophobicContact CZ-CD2 4.25Å
13S88.9Confident82.3Confident11 Ų1197.2 Ų97.28%0.07749%0.487CS..  trans-69.9161.7165.479.20000110.1D15 G16 H17S13-D15 PolarHBondContact O-N 3.24Å; S13-D15 VanDerWaalsContact O-N 3.11Å; S13-D15 PolarHBondContact OG-N 3.49Å; S13-G16 PolarHBondContact O-N 2.73Å; S13-G16 PolarHBondContact OG-N 3.08Å; S13-H17 PolarHBondContact N-O 3.06Å; S13-H17 WeakPolarHBondContact OG-CB 3.13Å; S13-H17 PolarHBondContact OG-N 3.04Å
14P91.7Very high83.8Confident134 Ų13492.7 Ų92.787%0.8746%0.456SS*.THydrogen-bonded Turntrans-54-28.3172.1-26.336000113.5G16P14-G16 VanDerWaalsContact C-N 3.34Å
15D92.8Very high85.1Confident129 Ų12986.3 Ų86.369%0.6944%0.435SS*.THydrogen-bonded Turntrans-87.61.3179.2-52.9-50.7000113.3S13 H17S13-D15 PolarHBondContact O-N 3.24Å; S13-D15 VanDerWaalsContact O-N 3.11Å; S13-D15 PolarHBondContact OG-N 3.49Å; D15-H17 PolarHBondContact O-CD2 2.95Å
16G91.1Very high86.3Confident50 Ų5080.3 Ų80.352%0.51541%0.414SS..SBendtrans86.410.6179.400000115.5S13 P14S13-G16 PolarHBondContact O-N 2.73Å; S13-G16 PolarHBondContact OG-N 3.08Å; P14-G16 VanDerWaalsContact C-N 3.34Å
17H90.8Very high87.3Confident90 Ų9078.3 Ų78.342%0.41741%0.409SS..  trans-88.2153.7179.6-68.6-103.4000112.6F12 S13 D15 F19 E22F12-H17 CarbonylContact C-O 3.58Å; F12-H17 WeakPolarHBondContact CA-O 3.12Å; S13-H17 PolarHBondContact N-O 3.06Å; S13-H17 WeakPolarHBondContact OG-CB 3.13Å; S13-H17 PolarHBondContact OG-N 3.04Å; D15-H17 PolarHBondContact O-CD2 2.95Å; H17-F19 HydrophobicContact CB-CE1 4.31Å; H17-E22 IonicContact CE1-OE1 3Å; H17-E22 IonicContact CG-OE1 2.72Å; H17-E22 IonicContact ND1-OE1 2.9Å; H17-E22 PolarHBondContact ND1-OE1 2.74Å
18L91.1Very high87.8Confident50 Ų5068.6 Ų68.626%0.26237%0.373SS..  trans-108.988172.1-70.8174.9000110.1F12 Q20 V21 E22F12-L18 HydrophobicContact CD1-CD2 3.8Å; F12-L18 HydrophobicContact CD1-CG 4.09Å; F12-L18 HydrophobicContact CD2-CD2 4.37Å; F12-L18 HydrophobicContact CE1-CD1 4.25Å; F12-L18 HydrophobicContact CE1-CD2 3.91Å; F12-L18 HydrophobicContact CE1-CG 3.94Å; F12-L18 HydrophobicContact CE2-CD2 4.46Å; F12-L18 HydrophobicContact CG-CD2 4.05Å; F12-L18 HydrophobicContact CZ-CD2 4.25Å; L18-Q20 PolarHBondContact O-N 3.12Å; L18-Q20 VanDerWaalsContact O-N 3.12Å; L18-V21 HydrophobicContact CB-CB 4.23Å; L18-V21 HydrophobicContact CB-CG2 4.06Å; L18-V21 HydrophobicContact CD1-CG2 4.39Å; L18-V21 WeakPolarHBondContact O-CB 3.29Å; L18-V21 PolarHBondContact O-N 3.08Å; L18-E22 PolarHBondContact O-N 2.9Å; L18-E22 VanDerWaalsContact O-N 3.15Å
19F90.5Very high88.1Confident87 Ų8771.2 Ų71.238%0.38237%0.373SS..Hα-helixtrans-55.5-35.4-175.1-66.9-45.9000114H17 V21 E22 Y23H17-F19 HydrophobicContact CB-CE1 4.31Å; F19-V21 VanDerWaalsContact C-N 3.26Å; F19-V21 PolarHBondContact O-N 3.44Å; F19-E22 WeakPolarHBondContact CD1-OE2 3.33Å; F19-E22 PolarHBondContact O-N 2.82Å; F19-Y23 HydrophobicContact CB-CE1 4.43Å; F19-Y23 HydrophobicContact CB-CE2 4.08Å; F19-Y23 WeakPolarHBondContact O-CB 3.23Å; F19-Y23 WeakPolarHBondContact O-CD1 2.87Å; F19-Y23 WeakPolarHBondContact O-CD2 3.22Å; F19-Y23 PolarHBondContact O-N 3.14Å
20Q89.9Confident88.3Confident70 Ų7076.2 Ų76.233%0.32739%0.392SS..Hα-helixtrans-63.3-32.7177.9-63.5-60-33.800112.9I9 T10 L18 A24 P134I9-Q20 HydrophobicContact CG2-CG 4.34Å; T10-Q20 HydrophobicContact CG2-CB 3.87Å; T10-Q20 HydrophobicContact CG2-CG 4.16Å; L18-Q20 PolarHBondContact O-N 3.12Å; L18-Q20 VanDerWaalsContact O-N 3.12Å; Q20-A24 WeakPolarHBondContact O-CB 3.17Å; Q20-A24 PolarHBondContact O-N 3.3Å; Q20-P134 HydrophobicContact CB-CG 4.05Å
21V90.9Very high88.4Confident13 Ų1375.7 Ų75.78%0.07939%0.392CS..Hα-helixtrans-76.4-40.8175.8178.70000110L18 F19 Y23 A24 Q25 T127 P134L18-V21 HydrophobicContact CB-CB 4.23Å; L18-V21 HydrophobicContact CB-CG2 4.06Å; L18-V21 HydrophobicContact CD1-CG2 4.39Å; L18-V21 WeakPolarHBondContact O-CB 3.29Å; L18-V21 PolarHBondContact O-N 3.08Å; F19-V21 VanDerWaalsContact C-N 3.26Å; F19-V21 PolarHBondContact O-N 3.44Å; V21-Y23 VanDerWaalsContact C-N 3.35Å; V21-Y23 PolarHBondContact O-N 3.3Å; V21-A24 WeakPolarHBondContact O-CB 3.38Å; V21-A24 PolarHBondContact O-N 3.31Å; V21-Q25 WeakPolarHBondContact O-CG 3.34Å; V21-Q25 PolarHBondContact O-N 3.36Å; V21-T127 HydrophobicContact CG2-CG2 3.98Å; V21-P134 HydrophobicContact CG2-CG 4.34Å
22E91.1Very high88.2Confident66 Ų6672 Ų7231%0.30837%0.37SS..Hα-helixtrans-61.2-43.2175.3-65.2-179.9174.500111.4H17 L18 F19 A24 Q25 E26H17-E22 IonicContact CE1-OE1 3Å; H17-E22 IonicContact CG-OE1 2.72Å; H17-E22 IonicContact ND1-OE1 2.9Å; H17-E22 PolarHBondContact ND1-OE1 2.74Å; L18-E22 PolarHBondContact O-N 2.9Å; L18-E22 VanDerWaalsContact O-N 3.15Å; F19-E22 WeakPolarHBondContact CD1-OE2 3.33Å; F19-E22 PolarHBondContact O-N 2.82Å; E22-A24 VanDerWaalsContact C-N 3.32Å; E22-A24 PolarHBondContact O-N 3.07Å; E22-Q25 WeakPolarHBondContact O-CB 3.16Å; E22-Q25 PolarHBondContact O-N 3.04Å; E22-Q25 VanDerWaalsContact O-N 3.16Å; E22-E26 WeakPolarHBondContact O-CG 3.47Å; E22-E26 PolarHBondContact O-N 3.21Å
23Y91.2Very high88.1Confident140 Ų14064.7 Ų64.755%0.54934%0.338SS..Hα-helixtrans-63.5-37.7174.8-61-18.9000112.3F19 V21 E26 A27F19-Y23 HydrophobicContact CB-CE1 4.43Å; F19-Y23 HydrophobicContact CB-CE2 4.08Å; F19-Y23 WeakPolarHBondContact O-CB 3.23Å; F19-Y23 WeakPolarHBondContact O-CD1 2.87Å; F19-Y23 WeakPolarHBondContact O-CD2 3.22Å; F19-Y23 PolarHBondContact O-N 3.14Å; V21-Y23 VanDerWaalsContact C-N 3.35Å; V21-Y23 PolarHBondContact O-N 3.3Å; Y23-E26 PolarHBondContact O-N 3.43Å; Y23-A27 PolarHBondContact O-N 2.97Å
24A87.8Confident88Confident8 Ų864.2 Ų64.27%0.06633%0.334CS..Hα-helixtrans-64.2-40.7173.900000111.5Q20 V21 E22 A27 V28 P134 P157Q20-A24 WeakPolarHBondContact O-CB 3.17Å; Q20-A24 PolarHBondContact O-N 3.3Å; V21-A24 WeakPolarHBondContact O-CB 3.38Å; V21-A24 PolarHBondContact O-N 3.31Å; E22-A24 VanDerWaalsContact C-N 3.32Å; E22-A24 PolarHBondContact O-N 3.07Å; A24-A27 WeakPolarHBondContact O-CB 3.24Å; A24-A27 PolarHBondContact O-N 3.26Å; A24-V28 WeakPolarHBondContact O-CG2 3.41Å; A24-V28 PolarHBondContact O-N 2.92Å; A24-V28 VanDerWaalsContact O-N 3.15Å; A24-P134 HydrophobicContact CB-CB 4.37Å; A24-P157 HydrophobicContact CB-CB 3.78Å; A24-P157 HydrophobicContact CB-CG 4.26Å
25Q87.2Confident88.1Confident67 Ų6757.8 Ų57.831%0.31329%0.293SS..Hα-helixtrans-65.3-40.6174.1-71.4176.5-19.400112.1V21 E22 A27 V28 K29 P157V21-Q25 WeakPolarHBondContact O-CG 3.34Å; V21-Q25 PolarHBondContact O-N 3.36Å; E22-Q25 WeakPolarHBondContact O-CB 3.16Å; E22-Q25 PolarHBondContact O-N 3.04Å; E22-Q25 VanDerWaalsContact O-N 3.16Å; Q25-A27 VanDerWaalsContact C-N 3.29Å; Q25-A27 PolarHBondContact O-N 2.77Å; Q25-V28 WeakPolarHBondContact O-CB 3.3Å; Q25-V28 PolarHBondContact O-N 3.33Å; Q25-V28 VanDerWaalsContact O-N 3.14Å; Q25-K29 PolarHBondContact O-N 3.12Å; Q25-P157 HydrophobicContact CG-CB 4.41Å; Q25-P157 HydrophobicContact CG-CG 4.15Å
26E88Confident88Confident85 Ų8551.7 Ų51.740%0.39726%0.26SS..Hα-helixtrans-63-35.4173.5-72.6-55.3132.700112.3E22 Y23 V28 K29 K30E22-E26 WeakPolarHBondContact O-CG 3.47Å; E22-E26 PolarHBondContact O-N 3.21Å; Y23-E26 PolarHBondContact O-N 3.43Å; E26-V28 VanDerWaalsContact C-N 3.32Å; E26-V28 PolarHBondContact O-N 3.41Å; E26-K29 PolarHBondContact O-N 2.95Å; E26-K29 WeakPolarHBondContact OE1-CD 3.35Å; E26-K29 WeakPolarHBondContact OE1-CE 3.37Å; E26-K29 IonicContact OE1-NZ 3.63Å; E26-K29 PolarHBondContact OE1-NZ 2.97Å; E26-K30 WeakPolarHBondContact O-CG 3.39Å; E26-K30 PolarHBondContact O-N 3.07Å
27A84Confident88Confident39 Ų3949.3 Ų49.332%0.32224%0.235SC..Hα-helixtrans-63.5-38.6173.100000111.9Y23 A24 Q25 K30Y23-A27 PolarHBondContact O-N 2.97Å; A24-A27 WeakPolarHBondContact O-CB 3.24Å; A24-A27 PolarHBondContact O-N 3.26Å; Q25-A27 VanDerWaalsContact C-N 3.29Å; Q25-A27 PolarHBondContact O-N 2.77Å; A27-K30 PolarHBondContact O-N 3.48Å
28V82.6Confident88.1Confident7 Ų748.3 Ų48.34%0.04223%0.228CC..Hα-helixtrans-63.7-44.3173.9176.30000111A24 Q25 E26 K30 G31 I82 P157A24-V28 WeakPolarHBondContact O-CG2 3.41Å; A24-V28 PolarHBondContact O-N 2.92Å; A24-V28 VanDerWaalsContact O-N 3.15Å; Q25-V28 WeakPolarHBondContact O-CB 3.3Å; Q25-V28 PolarHBondContact O-N 3.33Å; Q25-V28 VanDerWaalsContact O-N 3.14Å; E26-V28 VanDerWaalsContact C-N 3.32Å; E26-V28 PolarHBondContact O-N 3.41Å; V28-K30 PolarHBondContact O-N 3.38Å; V28-K30 VanDerWaalsContact O-N 3.17Å; V28-G31 PolarHBondContact O-N 3.47Å; V28-I82 HydrophobicContact CG1-CB 4.27Å; V28-I82 HydrophobicContact CG1-CG2 4.21Å; V28-I82 WeakPolarHBondContact O-CG2 3.12Å; V28-P157 HydrophobicContact CG2-CG 3.92Å
29K84.4Confident88Confident118 Ų11846.1 Ų46.151%0.51322%0.218SC..Hα-helixtrans-59.8-26.6178.7-70.2177.5-172.2169.80113.2Q25 E26 R171Q25-K29 PolarHBondContact O-N 3.12Å; E26-K29 PolarHBondContact O-N 2.95Å; E26-K29 WeakPolarHBondContact OE1-CD 3.35Å; E26-K29 WeakPolarHBondContact OE1-CE 3.37Å; E26-K29 IonicContact OE1-NZ 3.63Å; E26-K29 PolarHBondContact OE1-NZ 2.97Å; K29-R171 WeakPolarHBondContact O-CA 3.46Å; K29-R171 WeakPolarHBondContact O-CB 3.32Å; K29-R171 PolarHBondContact O-N 3.37Å
30K83.1Confident87.9Confident169 Ų16945.6 Ų45.674%0.73522%0.221SC*.THydrogen-bonded Turntrans-81.1-13.3175.3-68174.9-176.6177.80113.8E26 A27 V28E26-K30 WeakPolarHBondContact O-CG 3.39Å; E26-K30 PolarHBondContact O-N 3.07Å; A27-K30 PolarHBondContact O-N 3.48Å; V28-K30 PolarHBondContact O-N 3.38Å; V28-K30 VanDerWaalsContact O-N 3.17Å
31G81.6Confident87.7Confident15 Ų1546.4 Ų46.416%0.15523%0.228CC..SBendtrans-74.8167.5177.800000113V28 R171V28-G31 PolarHBondContact O-N 3.47Å; G31-R171 VanDerWaalsContact O-CB 3.28Å; G31-R171 WeakPolarHBondContact O-CB 3.08Å; G31-R171 WeakPolarHBondContact O-CG 3.19Å; G31-R171 PolarHBondContact O-N 2.96Å
32S83.4Confident87.7Confident11 Ų1145.8 Ų45.88%0.07722%0.224CC..PPolyproline II helixtrans-61.9154.3177.4-53.50000112E48 K63 I82S32-E48 WeakPolarHBondContact CB-O 3.33Å; S32-K63 PolarHBondContact OG-NZ 2.97Å; S32-I82 WeakPolarHBondContact O-CD1 3.38Å; S32-I82 WeakPolarHBondContact O-CG2 3.48Å
33T87.5Confident87.6Confident0 Ų042.7 Ų42.70%021%0.21CC..PPolyproline II helixtrans-71.1143.5179.2-48.50000111.5E48 I169 R171 V176 L203T33-E48 PolarHBondContact N-OE2 3.41Å; T33-E48 VanDerWaalsContact N-OE2 3.16Å; T33-E48 VanDerWaalsContact O-CB 3.31Å; T33-E48 WeakPolarHBondContact O-CB 2.98Å; T33-E48 PolarHBondContact O-N 2.97Å; T33-I169 WeakPolarHBondContact CA-O 3.24Å; T33-R171 WeakPolarHBondContact OG1-CG 3.29Å; T33-R171 PolarHBondContact OG1-O 3.04Å; T33-V176 HydrophobicContact CG2-CG2 4.03Å; T33-L203 HydrophobicContact CG2-CD2 4.5Å
34A88.6Confident87.5Confident0 Ų036 Ų360%018%0.184CC..EExtended strand (participates in β ladder)trans-140.5153.7165.700000112.1G46 V47 I80 I82 A168 I169A34-G46 CarbonylContact C-O 3.59Å; A34-G46 VanDerWaalsContact CA-O 3.31Å; A34-G46 WeakPolarHBondContact CA-O 3.42Å; A34-V47 HydrophobicContact CB-CG2 4.02Å; A34-I80 HydrophobicContact CB-CB 4.21Å; A34-I80 HydrophobicContact CB-CD1 3.82Å; A34-I80 HydrophobicContact CB-CG2 3.48Å; A34-I80 VanDerWaalsContact CB-CG2 3.48Å; A34-I82 HydrophobicContact CB-CD1 3.64Å; A34-I82 HydrophobicContact CB-CG1 4.28Å; A34-A168 CarbonylContact O-C 3.53Å; A34-A168 WeakPolarHBondContact O-CA 2.98Å; A34-I169 HydrophobicContact CB-CG1 4.27Å; A34-I169 PolarHBondContact N-O 2.92Å; A34-I169 PolarHBondContact O-N 3.08Å
35V91.8Very high87.7Confident0 Ų035.7 Ų35.70%018%0.181CC..EExtended strand (participates in β ladder)trans-134.4138.1-172.4-176.60000108.9I37 L45 G46 N167 A168 V176 L180 A202 L203V35-I37 HydrophobicContact CG1-CD1 4.31Å; V35-I37 HydrophobicContact CG1-CG1 3.95Å; V35-L45 WeakPolarHBondContact O-CA 3.46Å; V35-G46 PolarHBondContact N-O 3.28Å; V35-G46 PolarHBondContact O-N 3.27Å; V35-N167 WeakPolarHBondContact CA-O 3.32Å; V35-A168 HydrophobicContact CG2-CB 4.2Å; V35-V176 HydrophobicContact CG2-CG1 3.68Å; V35-L180 HydrophobicContact CG1-CD1 4.02Å; V35-A202 HydrophobicContact CG1-CB 4.3Å; V35-L203 HydrophobicContact CB-CD2 4.42Å; V35-L203 HydrophobicContact CG2-CD2 3.67Å; V35-L203 HydrophobicContact CG2-CG 4.06Å
36G91.6Very high87.8Confident0 Ų032.5 Ų32.50%017%0.166CC..EExtended strand (participates in β ladder)trans-126.2133.3169.100000111V44 L152 A166 N167G36-V44 WeakPolarHBondContact CA-O 3.5Å; G36-L152 WeakPolarHBondContact O-CD2 3.26Å; G36-A166 CarbonylContact O-C 3.23Å; G36-A166 VanDerWaalsContact O-CA 3.26Å; G36-A166 WeakPolarHBondContact O-CA 3.24Å; G36-N167 PolarHBondContact N-O 3.25Å; G36-N167 PolarHBondContact O-N 2.94Å
37I92.2Very high87.7Confident0 Ų028.5 Ų28.50%015%0.147CC..EExtended strand (participates in β ladder)trans-129.8125.1-179.5-55.5-168.4000108.7V35 V44 A166 L180 Y184 L198 A199V35-I37 HydrophobicContact CG1-CD1 4.31Å; V35-I37 HydrophobicContact CG1-CG1 3.95Å; I37-V44 PolarHBondContact N-O 3.21Å; I37-V44 PolarHBondContact O-N 3.26Å; I37-A166 HydrophobicContact CG1-CB 4.36Å; I37-L180 HydrophobicContact CD1-CD2 3.68Å; I37-L180 HydrophobicContact CG1-CD2 4.25Å; I37-Y184 HydrophobicContact CG2-CD2 4.13Å; I37-Y184 HydrophobicContact CG2-CE2 3.83Å; I37-L198 HydrophobicContact CD1-CB 4.05Å; I37-L198 HydrophobicContact CD1-CD2 3.89Å; I37-L198 HydrophobicContact CD1-CG 3.66Å; I37-L198 HydrophobicContact CG2-CD2 4.21Å; I37-A199 VanDerWaalsContact CD1-CA 3.47Å; I37-A199 HydrophobicContact CD1-CB 3.81Å; I37-A199 HydrophobicContact CG1-CB 4.29Å
38R91.7Very high87.7Confident70 Ų7027 Ų2726%0.26413%0.134SC..EExtended strand (participates in β ladder)trans-86.9114.8169.6-179.7174.669.8170.310.3109.9P150 K165 Y184R38-P150 WeakPolarHBondContact CD-O 3.36Å; R38-P150 HydrophobicContact CG-CB 3.85Å; R38-P150 HydrophobicContact CG-CG 3.71Å; R38-P150 PolarHBondContact NH1-O 2.89Å; R38-K165 WeakPolarHBondContact CB-O 3.41Å; R38-K165 PolarHBondContact N-O 2.89Å; R38-Y184 WeakPolarHBondContact O-CE2 3.49Å; R38-Y184 PolarHBondContact O-OH 3.41Å
39G89.3Confident87.5Confident4 Ų428.3 Ų28.34%0.04114%0.139CC..  trans-87-173.1164.100000112I42 P150G39-I42 CarbonylContact C-O 3.57Å; G39-I42 VanDerWaalsContact CA-O 3.29Å; G39-I42 WeakPolarHBondContact CA-O 3.4Å; G39-I42 PolarHBondContact N-O 3.11Å; G39-P150 VanDerWaalsContact O-CG 3.24Å; G39-P150 WeakPolarHBondContact O-CG 3.36Å
40T87.9Confident86.9Confident75 Ų7529.1 Ų29.146%0.4614%0.142SC..SBendtrans-70.9-47.3177.9-53.30000112.1I189T40-I189 PolarHBondContact N-O 2.88Å; T40-I189 PolarHBondContact OG1-O 3.04Å; T40-I189 VanDerWaalsContact OG1-O 3.05Å
41N87Confident86.3Confident87 Ų8726 Ų2647%0.46514%0.141SC..SBendtrans-123.910.9-177.9-65.1-49000113.3F144 R221N41-F144 WeakPolarHBondContact O-CZ 3.48Å; N41-R221 PolarHBondContact O-N 2.82Å
42I88.9Confident85.7Confident1 Ų126.4 Ų26.41%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-139.1146.3-174.5-170.4169000109.9G39 V44 D192 A195 I196 I218 I219 R220G39-I42 CarbonylContact C-O 3.57Å; G39-I42 VanDerWaalsContact CA-O 3.29Å; G39-I42 WeakPolarHBondContact CA-O 3.4Å; G39-I42 PolarHBondContact N-O 3.11Å; I42-V44 HydrophobicContact CD1-CG2 3.97Å; I42-V44 HydrophobicContact CG1-CG2 4.01Å; I42-D192 HydrophobicContact CD1-CB 4.01Å; I42-A195 HydrophobicContact CG2-CB 3.88Å; I42-I196 HydrophobicContact CD1-CD1 4.11Å; I42-I196 HydrophobicContact CD1-CG1 4.19Å; I42-I218 HydrophobicContact CD1-CB 3.98Å; I42-I218 HydrophobicContact CD1-CD1 4.11Å; I42-I218 HydrophobicContact CD1-CG2 4Å; I42-I218 HydrophobicContact CG1-CB 4.25Å; I42-I219 WeakPolarHBondContact CA-O 3.31Å; I42-R220 HydrophobicContact CD1-CG 4.31Å; I42-R220 HydrophobicContact CG1-CG 4.17Å
43V89Confident85.3Confident1 Ų129 Ų291%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-118.7129.7160.3-171.60000108.8V142 F144 P150 I218 I219V43-V142 HydrophobicContact CB-CB 4.32Å; V43-V142 HydrophobicContact CG1-CB 3.55Å; V43-V142 HydrophobicContact CG1-CG1 3.43Å; V43-V142 VanDerWaalsContact CG1-CG1 3.43Å; V43-V142 HydrophobicContact CG1-CG2 4.12Å; V43-F144 HydrophobicContact CG2-CE2 4.15Å; V43-F144 HydrophobicContact CG2-CZ 4.3Å; V43-P150 HydrophobicContact CG2-CB 3.29Å; V43-I218 WeakPolarHBondContact O-CA 3.18Å; V43-I219 PolarHBondContact N-O 3.2Å; V43-I219 PolarHBondContact O-N 2.77Å
44V91Very high84.9Confident0 Ų039.3 Ų39.30%021%0.208CC..EExtended strand (participates in β ladder)trans-110.6129.1-179.1-173.50000108.6G36 I37 I42 A195 I196 A199 L216 I218G36-V44 WeakPolarHBondContact CA-O 3.5Å; I37-V44 PolarHBondContact N-O 3.21Å; I37-V44 PolarHBondContact O-N 3.26Å; I42-V44 HydrophobicContact CD1-CG2 3.97Å; I42-V44 HydrophobicContact CG1-CG2 4.01Å; V44-A195 HydrophobicContact CG2-CB 4.18Å; V44-I196 HydrophobicContact CG2-CG1 3.95Å; V44-A199 HydrophobicContact CB-CB 4.24Å; V44-A199 HydrophobicContact CG1-CB 3.53Å; V44-L216 HydrophobicContact CG1-CD1 3.71Å; V44-L216 HydrophobicContact CG1-CD2 4.44Å; V44-L216 HydrophobicContact CG1-CG 4.19Å; V44-I218 HydrophobicContact CB-CG2 4.43Å; V44-I218 HydrophobicContact CG1-CG2 4.13Å; V44-I218 HydrophobicContact CG2-CG2 4.05Å
45L90.1Very high84.8Confident1 Ų147.8 Ų47.81%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-118.1126.3171.3-84.6-158.5000109.5V35 L78 I80 L140 V142 A217V35-L45 WeakPolarHBondContact O-CA 3.46Å; L45-L78 HydrophobicContact CB-CD2 3.46Å; L45-L78 VanDerWaalsContact CB-CD2 3.46Å; L45-L78 HydrophobicContact CD1-CB 3.68Å; L45-L78 HydrophobicContact CD1-CD2 3.16Å; L45-L78 HydrophobicContact CD1-CG 3.34Å; L45-L78 VanDerWaalsContact CD1-O 3.26Å; L45-L78 WeakPolarHBondContact CD1-O 3.37Å; L45-L78 HydrophobicContact CG-CD2 3.63Å; L45-L78 HydrophobicContact CG-CG 4.34Å; L45-I80 HydrophobicContact CB-CD1 3.92Å; L45-I80 HydrophobicContact CD1-CD1 3.54Å; L45-I80 HydrophobicContact CD1-CG1 3.73Å; L45-I80 HydrophobicContact CD2-CD1 3.76Å; L45-I80 HydrophobicContact CG-CD1 3.91Å; L45-L140 HydrophobicContact CD2-CB 4.46Å; L45-L140 HydrophobicContact CD2-CD1 4.34Å; L45-V142 HydrophobicContact CD1-CG1 4.27Å; L45-V142 HydrophobicContact CD1-CG2 3.69Å; L45-V142 HydrophobicContact CD2-CG1 3.76Å; L45-V142 HydrophobicContact CD2-CG2 4.48Å; L45-V142 HydrophobicContact CG-CG1 4.06Å; L45-V142 HydrophobicContact CG-CG2 3.87Å; L45-A217 PolarHBondContact N-O 2.81Å; L45-A217 PolarHBondContact O-N 3.03Å; L45-A217 VanDerWaalsContact O-O 3.13Å
46G89.7Confident84.1Confident0 Ų052.2 Ų52.20%027%0.273CS..EExtended strand (participates in β ladder)trans-122.5136178.200000110.4A34 V35 E215A34-G46 CarbonylContact C-O 3.59Å; A34-G46 VanDerWaalsContact CA-O 3.31Å; A34-G46 WeakPolarHBondContact CA-O 3.42Å; V35-G46 PolarHBondContact N-O 3.28Å; V35-G46 PolarHBondContact O-N 3.27Å; G46-E215 WeakPolarHBondContact CA-O 3.37Å
47V86.9Confident83.5Confident1 Ų156.8 Ų56.81%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-129.5136.5179.4-179.40000109.9A34 K49 K63 I64 I80 E215A34-V47 HydrophobicContact CB-CG2 4.02Å; V47-K49 PolarHBondContact O-N 3.1Å; V47-K63 HydrophobicContact CG1-CB 4.18Å; V47-K63 HydrophobicContact CG1-CD 3.75Å; V47-I64 HydrophobicContact CB-CD1 4.37Å; V47-I64 HydrophobicContact CB-CG1 4.47Å; V47-I64 HydrophobicContact CG2-CD1 3.8Å; V47-I64 HydrophobicContact CG2-CG1 3.65Å; V47-I80 HydrophobicContact CG2-CB 4.25Å; V47-I80 HydrophobicContact CG2-CD1 3.47Å; V47-I80 VanDerWaalsContact CG2-CD1 3.47Å; V47-I80 HydrophobicContact CG2-CG1 3.59Å; V47-I80 HydrophobicContact CG2-CG2 3.65Å; V47-E215 PolarHBondContact N-O 3.46Å; V47-E215 PolarHBondContact O-N 2.91Å
48E83.9Confident82.4Confident8 Ų862.5 Ų62.54%0.03732%0.324CS..EExtended strand (participates in β ladder)trans-71.4114.8165.7178.2-179.5-141.200110.4S32 T33 K63 R171 V207S32-E48 WeakPolarHBondContact CB-O 3.33Å; T33-E48 PolarHBondContact N-OE2 3.41Å; T33-E48 VanDerWaalsContact N-OE2 3.16Å; T33-E48 VanDerWaalsContact O-CB 3.31Å; T33-E48 WeakPolarHBondContact O-CB 2.98Å; T33-E48 PolarHBondContact O-N 2.97Å; E48-K63 PolarHBondContact O-NZ 3.44Å; E48-R171 VanDerWaalsContact CD-NH2 3.26Å; E48-R171 IonicContact OE1-CZ 3.66Å; E48-R171 IonicContact OE1-NE 2.73Å; E48-R171 IonicContact OE1-NH2 2.68Å; E48-R171 PolarHBondContact OE1-NH2 3.08Å; E48-R171 IonicContact OE2-CZ 2.74Å; E48-R171 IonicContact OE2-NE 3.32Å; E48-R171 PolarHBondContact OE2-NE 3.47Å; E48-R171 IonicContact OE2-NH2 3.64Å; E48-R171 PolarHBondContact OE2-NH2 2.79Å; E48-V207 HydrophobicContact CB-CG2 4.36Å; E48-V207 HydrophobicContact CG-CG2 3.96Å
49K78.4Confident81.3Confident34 Ų3468.1 Ų68.115%0.14835%0.345CS..PPolyproline II helixtrans-93.2122.7171.1-173.6179.2177.6-172.10108.1V47 E58 N213V47-K49 PolarHBondContact O-N 3.1Å; K49-E58 IonicContact NZ-OE2 3.82Å; K49-E58 PolarHBondContact NZ-OE2 2.9Å; K49-N213 PolarHBondContact N-O 3.2Å; K49-N213 WeakPolarHBondContact O-CA 3.49Å; K49-N213 WeakPolarHBondContact O-CB 3.43Å; K49-N213 VanDerWaalsContact O-O 3.14Å
50K72.2Confident80.3Confident135 Ų13572.5 Ų72.559%0.58737%0.371SS*.PPolyproline II helixtrans-70.5133.8166.6-70.8-173178.5-177.40107.8V52K50-V52 PolarHBondContact O-N 2.97Å
51S69.9Low79.3Confident102 Ų10271.1 Ų71.171%0.71336%0.363SS*.PPolyproline II helixtrans-50117.9172-173.90000109.3
52V68.6Low78.5Confident25 Ų2573.4 Ų73.415%0.15237%0.365CS..PPolyproline II helixtrans-77.6150179-66.90000108.9K50 Q56 E58 V61K50-V52 PolarHBondContact O-N 2.97Å; V52-Q56 HydrophobicContact CB-CB 4.22Å; V52-Q56 HydrophobicContact CB-CG 4.37Å; V52-E58 HydrophobicContact CG2-CG 3.81Å; V52-V61 HydrophobicContact CG1-CB 4.32Å; V52-V61 HydrophobicContact CG1-CG1 4.44Å; V52-V61 HydrophobicContact CG1-CG2 3.96Å
53A76.3Confident77.8Confident64 Ų6475.8 Ų75.853%0.52938%0.375SS..PPolyproline II helixtrans-58.5144.8172.600000109.4L55 Q56A53-L55 PolarHBondContact O-N 2.88Å; A53-Q56 WeakPolarHBondContact O-CB 3.24Å; A53-Q56 PolarHBondContact O-N 2.86Å
54K78.6Confident77.4Confident217 Ų21776.1 Ų76.194%0.94338%0.377SS*.THydrogen-bonded Turntrans-56.2-21.1-178.8-66.1-177.6179.5179.10114.1
55L86.8Confident76.9Confident179 Ų17977.6 Ų77.694%0.93739%0.387SS*.THydrogen-bonded Turntrans-86.6-8178.3-60.2176.9000113.5A53A53-L55 PolarHBondContact O-N 2.88Å
56Q76.6Confident76.4Confident92 Ų9278.7 Ų78.743%0.4340%0.396SS..SBendtrans-95129-177.1-176.3170.715.700110.4V52 A53 E58 V61V52-Q56 HydrophobicContact CB-CB 4.22Å; V52-Q56 HydrophobicContact CB-CG 4.37Å; A53-Q56 WeakPolarHBondContact O-CB 3.24Å; A53-Q56 PolarHBondContact O-N 2.86Å; Q56-E58 PolarHBondContact O-N 3.21Å; Q56-V61 HydrophobicContact CG-CG2 4.26Å
57D77.9Confident75.7Confident97 Ų9779 Ų7952%0.51940%0.398SS..  trans-66.9116.5173.7-177-4000110.4R59 T60D57-R59 PolarHBondContact O-N 2.94Å; D57-R59 VanDerWaalsContact O-N 3.15Å; D57-R59 WeakPolarHBondContact OD1-CB 3.39Å; D57-R59 PolarHBondContact OD1-N 3.05Å; D57-T60 HydrophobicContact CB-CG2 4.34Å; D57-T60 PolarHBondContact O-N 3.27Å; D57-T60 PolarHBondContact O-OG1 2.94Å
58E68.9Low75Confident119 Ų11980 Ų8056%0.55640%0.403SS*.G310 helixtrans-57.3-27.1179.1-68.4-163.9-158.100113.5K49 V52 Q56 T60 V61K49-E58 IonicContact NZ-OE2 3.82Å; K49-E58 PolarHBondContact NZ-OE2 2.9Å; V52-E58 HydrophobicContact CG2-CG 3.81Å; Q56-E58 PolarHBondContact O-N 3.21Å; E58-T60 PolarHBondContact O-N 3Å; E58-V61 PolarHBondContact O-N 3.38Å
59R69.7Low73.6Confident189 Ų18986.7 Ų86.771%0.71344%0.439SS*.G310 helixtrans-62.3-27.1-179.2-164.6179.380.4109.2-1.7112.6D57D57-R59 PolarHBondContact O-N 2.94Å; D57-R59 VanDerWaalsContact O-N 3.15Å; D57-R59 WeakPolarHBondContact OD1-CB 3.39Å; D57-R59 PolarHBondContact OD1-N 3.05Å
60T68.4Low71.9Confident95 Ų9591.3 Ų91.358%0.58346%0.461SS*.G310 helixtrans-83.8-15.8-170.862.90000114.4D57 E58D57-T60 HydrophobicContact CB-CG2 4.34Å; D57-T60 PolarHBondContact O-N 3.27Å; D57-T60 PolarHBondContact O-OG1 2.94Å; E58-T60 PolarHBondContact O-N 3Å
61V66.6Low69.8Low47 Ų4787 Ų8729%0.28545%0.446SS..  trans-107.738.3-169.1-158.90000112.2V52 Q56 E58V52-V61 HydrophobicContact CG1-CB 4.32Å; V52-V61 HydrophobicContact CG1-CG1 4.44Å; V52-V61 HydrophobicContact CG1-CG2 3.96Å; Q56-V61 HydrophobicContact CG-CG2 4.26Å; E58-V61 PolarHBondContact O-N 3.38Å
62R70.1Confident67.8Low135 Ų13584.7 Ų84.751%0.50943%0.429SS..  trans-83.6130.6175.8-64.4-170.1-177.2-166.9-0.7110.6
63K74.2Confident65.7Low50 Ų5089 Ų8922%0.21745%0.449CS..  trans-98.1-14.9172.6-66.2-177.9-174.7163.50113S32 V47 E48S32-K63 PolarHBondContact OG-NZ 2.97Å; V47-K63 HydrophobicContact CG1-CB 4.18Å; V47-K63 HydrophobicContact CG1-CD 3.75Å; E48-K63 PolarHBondContact O-NZ 3.44Å
64I80.6Confident63.2Low8 Ų886.2 Ų86.24%0.04143%0.426CS..EExtended strand (participates in β ladder)trans-91.7110.9-179.6-68.5-172.2000107.1V47 L78 I80 E215 A217 M227V47-I64 HydrophobicContact CB-CD1 4.37Å; V47-I64 HydrophobicContact CB-CG1 4.47Å; V47-I64 HydrophobicContact CG2-CD1 3.8Å; V47-I64 HydrophobicContact CG2-CG1 3.65Å; I64-L78 HydrophobicContact CB-CD1 4.09Å; I64-L78 HydrophobicContact CG2-CD1 3.04Å; I64-L78 HydrophobicContact CG2-CD2 3.6Å; I64-L78 HydrophobicContact CG2-CG 3.66Å; I64-I80 HydrophobicContact CG1-CG1 4.26Å; I64-E215 HydrophobicContact CD1-CG 4.13Å; I64-A217 HydrophobicContact CD1-CB 3.79Å; I64-A217 HydrophobicContact CG2-CB 3.69Å; I64-M227 HydrophobicContact CB-CE 4.1Å; I64-M227 HydrophobicContact CB-SD 4.43Å; I64-M227 HydrophobicContact CD1-CE 4.19Å; I64-M227 HydrophobicContact CG2-CE 3.83Å; I64-M227 HydrophobicContact CG2-SD 3.56Å; I64-M227 VanDerWaalsContact CG2-SD 3.56Å
65C80.6Confident60.7Low31 Ų3176.5 Ų76.521%0.20938%0.384CS..EExtended strand (participates in β ladder)trans-124.7135.4-176.7-66.90000111.8L78 T79 I92C65-L78 WeakPolarHBondContact O-CA 3.44Å; C65-L78 WeakPolarHBondContact O-CD1 3.33Å; C65-T79 PolarHBondContact O-N 3.17Å; C65-I92 HydrophobicContact CB-CD1 3.94Å
66A80.4Confident57.8Low25 Ų2568.5 Ų68.521%0.20734%0.343CS..EExtended strand (participates in β ladder)trans-82.2139.9169.200000111.5R96 L225A66-R96 PolarHBondContact O-NE 3.14Å; A66-R96 VanDerWaalsContact O-NE 3.12Å; A66-R96 PolarHBondContact O-NH2 3.43Å; A66-L225 HydrophobicContact CB-CD2 4.27Å
67L74.9Confident55.7Low6 Ų664.3 Ų64.33%0.03132%0.324CS..SBendtrans-98.9-22.5176-63.6-167.9000114.9V77 I92 A95 R96 I115 I119L67-V77 HydrophobicContact CB-CB 4.08Å; L67-V77 HydrophobicContact CD1-CB 3.61Å; L67-V77 HydrophobicContact CD1-CG1 3.24Å; L67-V77 HydrophobicContact CD1-CG2 4.38Å; L67-V77 HydrophobicContact CG-CB 3.87Å; L67-V77 HydrophobicContact CG-CG1 3.8Å; L67-V77 WeakPolarHBondContact CG-O 3.39Å; L67-V77 PolarHBondContact N-O 3.33Å; L67-I92 HydrophobicContact CD2-CB 4.33Å; L67-I92 HydrophobicContact CD2-CG1 4.42Å; L67-I92 HydrophobicContact CD2-CG2 3.82Å; L67-A95 HydrophobicContact CD1-CB 3.66Å; L67-A95 HydrophobicContact CD2-CB 4.23Å; L67-R96 HydrophobicContact CB-CG 4.48Å; L67-R96 HydrophobicContact CD2-CG 4.12Å; L67-R96 WeakPolarHBondContact O-CG 3.39Å; L67-I115 HydrophobicContact CD1-CG1 4.16Å; L67-I119 HydrophobicContact CD1-CD1 4.38Å
68D70.9Confident53.7Low23 Ų2359.8 Ų59.812%0.12330%0.3CS..  trans-146.9149.4178.9-157.6-7.5000109.9C99 Q100D68-C99 HydrophobicContact CB-CB 4.45Å; D68-Q100 PolarHBondContact OD1-NE2 2.97Å
69D55.5Low52.2Low147 Ų14754.1 Ų54.179%0.78627%0.273SS*.SBendtrans-110.7-16-169.4-72.9-31.1000113.3V71D69-V71 PolarHBondContact O-N 3.42Å
70H41.5Very low50.8Low132 Ų13245.1 Ų45.161%0.61124%0.239SC*.SBendtrans-93.675.1174.1-80.4-45.3000110.8K103H70-K103 PolarHBondContact CD2-NZ 3.24Å; H70-K103 VanDerWaalsContact CD2-NZ 3.28Å
71V29.9Very low49.9Very low43 Ų4341.3 Ų41.326%0.26122%0.215SC..  trans177.3115.4154.6124.60000109.8D69 M73 A74 F75D69-V71 PolarHBondContact O-N 3.42Å; V71-M73 VanDerWaalsContact CG1-N 3.27Å; V71-M73 WeakPolarHBondContact CG1-O 3.38Å; V71-M73 HydrophobicContact CG2-CB 4.02Å; V71-M73 WeakPolarHBondContact CG2-O 3.29Å; V71-A74 VanDerWaalsContact CG1-N 3.32Å; V71-F75 HydrophobicContact CG1-CB 4.11Å
72C26.9Very low48.9Very low54 Ų5439.2 Ų39.237%0.36520%0.202SC..SBendtrans-67.8-27.1139.2-69.20000109.4A74 N222 Q223 P224C72-A74 PolarHBondContact O-N 3.24Å; C72-N222 VanDerWaalsContact C-C 3.45Å; C72-N222 VanDerWaalsContact CB-O 3.29Å; C72-N222 WeakPolarHBondContact CB-O 3.46Å; C72-N222 CarbonylContact O-C 3.34Å; C72-N222 WeakPolarHBondContact O-CA 3.11Å; C72-N222 PolarHBondContact O-N 3.15Å; C72-Q223 VanDerWaalsContact CA-C 3.45Å; C72-Q223 WeakPolarHBondContact CA-O 3.44Å; C72-Q223 PolarHBondContact O-N 3.12Å; C72-P224 WeakPolarHBondContact SG-CD 3.43Å
73M25.4Very low48.3Very low116 Ų11634.2 Ų34.257%0.57119%0.192SC*.SBendtrans-91.585.4-172.6-51.2-168.3177.600114.2V71 N222V71-M73 VanDerWaalsContact CG1-N 3.27Å; V71-M73 WeakPolarHBondContact CG1-O 3.38Å; V71-M73 HydrophobicContact CG2-CB 4.02Å; V71-M73 WeakPolarHBondContact CG2-O 3.29Å; M73-N222 VanDerWaalsContact CA-OD1 3.23Å; M73-N222 WeakPolarHBondContact CA-OD1 3.44Å; M73-N222 WeakPolarHBondContact CB-OD1 3.44Å; M73-N222 HydrophobicContact CE-CB 4.47Å; M73-N222 HydrophobicContact CG-CB 3.83Å; M73-N222 VanDerWaalsContact CG-CG 3.44Å; M73-N222 WeakPolarHBondContact CG-OD1 3.39Å
74A23.1Very low47.9Very low5 Ų536 Ų364%0.04120%0.203CC..SBendtrans102.4-69.4164.800000117.4V71 C72 A76 G143 F144 D145V71-A74 VanDerWaalsContact CG1-N 3.32Å; C72-A74 PolarHBondContact O-N 3.24Å; A74-A76 PolarHBondContact O-N 2.97Å; A74-G143 CarbonylContact O-C 3.53Å; A74-F144 CarbonylContact C-O 3.04Å; A74-F144 WeakPolarHBondContact CA-O 3.07Å; A74-F144 VanDerWaalsContact CB-C 3.44Å; A74-F144 HydrophobicContact CB-CB 3.67Å; A74-F144 WeakPolarHBondContact CB-O 3.34Å; A74-F144 WeakPolarHBondContact O-CA 3.34Å; A74-F144 WeakPolarHBondContact O-CD2 2.95Å; A74-F144 PolarHBondContact O-N 3.2Å; A74-F144 VanDerWaalsContact O-O 3.09Å; A74-D145 VanDerWaalsContact CB-C 3.49Å; A74-D145 WeakPolarHBondContact CB-O 3.17Å
75F25.9Very low47.6Very low14 Ų1441 Ų416%0.06123%0.234CC..  trans-81.998.1-173.2-59-73.4000115.9V71 P109 V110 T111 V112 F144 D145V71-F75 HydrophobicContact CG1-CB 4.11Å; F75-P109 HydrophobicContact CD2-CB 4.06Å; F75-P109 HydrophobicContact CD2-CG 4.17Å; F75-P109 HydrophobicContact CE2-CB 4.25Å; F75-P109 HydrophobicContact CE2-CG 4.01Å; F75-V110 WeakPolarHBondContact CD1-O 3.24Å; F75-V110 WeakPolarHBondContact CE1-O 3.14Å; F75-V110 WeakPolarHBondContact CG-O 3.4Å; F75-V110 VanDerWaalsContact CZ-O 3.22Å; F75-V110 WeakPolarHBondContact CZ-O 3.29Å; F75-T111 HydrophobicContact CZ-CG2 4.47Å; F75-V112 HydrophobicContact CD1-CG2 3.64Å; F75-V112 HydrophobicContact CE1-CG2 3.77Å; F75-F144 WeakPolarHBondContact CD1-O 3.42Å; F75-F144 WeakPolarHBondContact CE1-O 3.44Å; F75-F144 WeakPolarHBondContact CG-O 3.48Å; F75-F144 PolarHBondContact N-O 2.99Å; F75-D145 HydrophobicContact CE1-CB 3.9Å; F75-D145 WeakPolarHBondContact CE1-OD1 3.48Å; F75-D145 HydrophobicContact CZ-CB 3.68Å; F75-D145 WeakPolarHBondContact CZ-OD1 3.24Å
76A24.9Very low47.4Very low10 Ų1043 Ų438%0.08325%0.253CS..  trans-119.193.1151.800000108A74 L78 V142 I219A74-A76 PolarHBondContact O-N 2.97Å; A76-L78 PolarHBondContact O-N 3.49Å; A76-V142 CarbonylContact C-O 3.55Å; A76-V142 VanDerWaalsContact C-O 3.23Å; A76-V142 CarbonylContact O-C 3.53Å; A76-I219 HydrophobicContact CB-CB 4.35Å; A76-I219 HydrophobicContact CB-CD1 3.3Å; A76-I219 HydrophobicContact CB-CG1 3.54Å; A76-I219 HydrophobicContact CB-CG2 3.85Å; A76-I219 VanDerWaalsContact O-CD1 3.23Å; A76-I219 WeakPolarHBondContact O-CD1 3.39Å
77V33.7Very low47.4Very low5 Ų542.5 Ų42.53%0.0325%0.247CC..  trans-66.290.3162179.90000107.1L67 T79 I115 I141 V142L67-V77 HydrophobicContact CB-CB 4.08Å; L67-V77 HydrophobicContact CD1-CB 3.61Å; L67-V77 HydrophobicContact CD1-CG1 3.24Å; L67-V77 HydrophobicContact CD1-CG2 4.38Å; L67-V77 HydrophobicContact CG-CB 3.87Å; L67-V77 HydrophobicContact CG-CG1 3.8Å; L67-V77 WeakPolarHBondContact CG-O 3.39Å; L67-V77 PolarHBondContact N-O 3.33Å; V77-T79 WeakPolarHBondContact CG1-OG1 3.49Å; V77-I115 HydrophobicContact CG2-CG2 3.45Å; V77-I115 VanDerWaalsContact CG2-CG2 3.45Å; V77-I141 HydrophobicContact CB-CG2 4.17Å; V77-I141 HydrophobicContact CG1-CB 4.02Å; V77-I141 HydrophobicContact CG1-CG1 3.87Å; V77-I141 HydrophobicContact CG1-CG2 3.39Å; V77-I141 HydrophobicContact CG2-CG2 3.94Å; V77-V142 WeakPolarHBondContact CA-O 3.06Å; V77-V142 PolarHBondContact N-O 2.95Å
78L35.2Very low47.7Very low2 Ų242.4 Ų42.41%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-91.5107172.2-17870.7000105.6L45 I64 C65 A76 V142 A217 I219 L225L45-L78 HydrophobicContact CB-CD2 3.46Å; L45-L78 VanDerWaalsContact CB-CD2 3.46Å; L45-L78 HydrophobicContact CD1-CB 3.68Å; L45-L78 HydrophobicContact CD1-CD2 3.16Å; L45-L78 HydrophobicContact CD1-CG 3.34Å; L45-L78 VanDerWaalsContact CD1-O 3.26Å; L45-L78 WeakPolarHBondContact CD1-O 3.37Å; L45-L78 HydrophobicContact CG-CD2 3.63Å; L45-L78 HydrophobicContact CG-CG 4.34Å; I64-L78 HydrophobicContact CB-CD1 4.09Å; I64-L78 HydrophobicContact CG2-CD1 3.04Å; I64-L78 HydrophobicContact CG2-CD2 3.6Å; I64-L78 HydrophobicContact CG2-CG 3.66Å; C65-L78 WeakPolarHBondContact O-CA 3.44Å; C65-L78 WeakPolarHBondContact O-CD1 3.33Å; A76-L78 PolarHBondContact O-N 3.49Å; L78-V142 HydrophobicContact CB-CG2 3.57Å; L78-A217 HydrophobicContact CD2-CB 3.77Å; L78-I219 HydrophobicContact CB-CD1 3.89Å; L78-I219 HydrophobicContact CD2-CD1 4.36Å; L78-L225 HydrophobicContact CD1-CD1 4.12Å; L78-L225 HydrophobicContact CD1-CD2 3.96Å; L78-L225 HydrophobicContact CD2-CD1 4Å
79T37.8Very low48.3Very low0 Ų049.9 Ų49.90%027%0.274CS..EExtended strand (participates in β ladder)trans-98115.9-178.8-47.10000110.1C65 V77 F81 A139 L140 I141C65-T79 PolarHBondContact O-N 3.17Å; V77-T79 WeakPolarHBondContact CG1-OG1 3.49Å; T79-F81 HydrophobicContact CG2-CD1 3.99Å; T79-F81 HydrophobicContact CG2-CD2 3.65Å; T79-F81 HydrophobicContact CG2-CE1 3.61Å; T79-F81 HydrophobicContact CG2-CE2 3.15Å; T79-F81 HydrophobicContact CG2-CG 4.06Å; T79-F81 HydrophobicContact CG2-CZ 3.19Å; T79-A139 HydrophobicContact CG2-CB 3.18Å; T79-L140 WeakPolarHBondContact CA-O 3.15Å; T79-I141 HydrophobicContact CG2-CG1 4.18Å
80I41.2Very low49.9Very low0 Ų046 Ų460%026%0.255CS..EExtended strand (participates in β ladder)trans-89.2110.3165.6-58.2161.4000107A34 L45 V47 I64 I82 A139 L140A34-I80 HydrophobicContact CB-CB 4.21Å; A34-I80 HydrophobicContact CB-CD1 3.82Å; A34-I80 HydrophobicContact CB-CG2 3.48Å; A34-I80 VanDerWaalsContact CB-CG2 3.48Å; L45-I80 HydrophobicContact CB-CD1 3.92Å; L45-I80 HydrophobicContact CD1-CD1 3.54Å; L45-I80 HydrophobicContact CD1-CG1 3.73Å; L45-I80 HydrophobicContact CD2-CD1 3.76Å; L45-I80 HydrophobicContact CG-CD1 3.91Å; V47-I80 HydrophobicContact CG2-CB 4.25Å; V47-I80 HydrophobicContact CG2-CD1 3.47Å; V47-I80 VanDerWaalsContact CG2-CD1 3.47Å; V47-I80 HydrophobicContact CG2-CG1 3.59Å; V47-I80 HydrophobicContact CG2-CG2 3.65Å; I64-I80 HydrophobicContact CG1-CG1 4.26Å; I80-I82 HydrophobicContact CG2-CG1 4Å; I80-A139 VanDerWaalsContact O-CA 3.32Å; I80-A139 WeakPolarHBondContact O-CA 3.33Å; I80-L140 HydrophobicContact CD1-CD1 4.35Å; I80-L140 PolarHBondContact N-O 2.66Å; I80-L140 PolarHBondContact O-N 2.96Å
81F48.3Very low52Low15 Ų1539.7 Ų39.77%0.06623%0.226CC..EExtended strand (participates in β ladder)trans-90.4123169.9-64.2-84000109.9T79 A88 V91 I92 I137 S138 A139T79-F81 HydrophobicContact CG2-CD1 3.99Å; T79-F81 HydrophobicContact CG2-CD2 3.65Å; T79-F81 HydrophobicContact CG2-CE1 3.61Å; T79-F81 HydrophobicContact CG2-CE2 3.15Å; T79-F81 HydrophobicContact CG2-CG 4.06Å; T79-F81 HydrophobicContact CG2-CZ 3.19Å; F81-A88 HydrophobicContact CB-CB 3.3Å; F81-A88 HydrophobicContact CD1-CB 3.93Å; F81-A88 HydrophobicContact CD2-CB 3.71Å; F81-A88 HydrophobicContact CE2-CB 4.47Å; F81-A88 HydrophobicContact CG-CB 3.35Å; F81-V91 HydrophobicContact CE1-CB 4.18Å; F81-V91 HydrophobicContact CE1-CG1 3.95Å; F81-V91 HydrophobicContact CZ-CB 4.26Å; F81-V91 HydrophobicContact CZ-CG1 4Å; F81-I92 HydrophobicContact CD2-CD1 3.73Å; F81-I92 HydrophobicContact CD2-CG1 3.95Å; F81-I92 HydrophobicContact CE2-CD1 3.44Å; F81-I92 VanDerWaalsContact CE2-CD1 3.44Å; F81-I92 HydrophobicContact CE2-CG1 3.12Å; F81-I92 HydrophobicContact CZ-CD1 4.41Å; F81-I92 HydrophobicContact CZ-CG1 3.71Å; F81-I137 HydrophobicContact CD1-CB 4.04Å; F81-I137 HydrophobicContact CD1-CD1 3.38Å; F81-I137 HydrophobicContact CD1-CG1 3.82Å; F81-I137 HydrophobicContact CE1-CD1 3.52Å; F81-I137 HydrophobicContact CE1-CG1 4.22Å; F81-I137 HydrophobicContact CG-CD1 4.42Å; F81-S138 WeakPolarHBondContact CA-O 3Å; F81-A139 HydrophobicContact CD1-CB 3.92Å; F81-A139 HydrophobicContact CE1-CB 3.77Å; F81-A139 HydrophobicContact CZ-CB 4.46Å
82I46.6Very low54.6Low3 Ų338.2 Ų38.22%0.01522%0.217CC..EExtended strand (participates in β ladder)trans-109.9125.1168.8-57.9174.9000107.2V28 S32 A34 I80 I137 S138 I169V28-I82 HydrophobicContact CG1-CB 4.27Å; V28-I82 HydrophobicContact CG1-CG2 4.21Å; V28-I82 WeakPolarHBondContact O-CG2 3.12Å; S32-I82 WeakPolarHBondContact O-CD1 3.38Å; S32-I82 WeakPolarHBondContact O-CG2 3.48Å; A34-I82 HydrophobicContact CB-CD1 3.64Å; A34-I82 HydrophobicContact CB-CG1 4.28Å; I80-I82 HydrophobicContact CG2-CG1 4Å; I82-I137 WeakPolarHBondContact O-CA 3.36Å; I82-S138 PolarHBondContact N-O 3.35Å; I82-S138 PolarHBondContact O-N 2.93Å; I82-I169 HydrophobicContact CB-CD1 4.31Å; I82-I169 HydrophobicContact CD1-CB 3.77Å; I82-I169 HydrophobicContact CD1-CD1 3.38Å; I82-I169 HydrophobicContact CD1-CG1 3.27Å; I82-I169 WeakPolarHBondContact CD1-O 3.34Å; I82-I169 HydrophobicContact CG1-CD1 3.77Å; I82-I169 HydrophobicContact CG1-CG1 4.22Å
83G55.9Low57.5Low29 Ų2939.1 Ų39.130%0.29922%0.218SC..EExtended strand (participates in β ladder)trans134-143-17500000111.2T85 G136G83-T85 PolarHBondContact O-N 3.24Å; G83-G136 VanDerWaalsContact CA-O 3.32Å; G83-G136 WeakPolarHBondContact CA-O 3.42Å
84L66.6Low60.6Low87 Ų8737.7 Ų37.746%0.45521%0.206SC..  trans-73.8112.5180-64.5172.1000111A86 D87 A88 G136L84-A86 PolarHBondContact O-N 2.94Å; L84-A86 VanDerWaalsContact O-N 3.13Å; L84-D87 HydrophobicContact CB-CB 4.03Å; L84-D87 WeakPolarHBondContact O-CB 3.39Å; L84-D87 PolarHBondContact O-N 3.47Å; L84-A88 PolarHBondContact O-N 2.94Å; L84-A88 VanDerWaalsContact O-N 3.08Å; L84-G136 PolarHBondContact N-O 3.49Å
85T73.7Confident63.7Low113 Ų11337.4 Ų37.469%0.69320%0.204SC*.Hα-helixtrans-56.2-31.7178.8-47.80000112.8G83 A88 R89G83-T85 PolarHBondContact O-N 3.24Å; T85-A88 WeakPolarHBondContact O-CB 3.33Å; T85-A88 PolarHBondContact O-N 3.34Å; T85-R89 PolarHBondContact O-N 3.21Å; T85-R89 VanDerWaalsContact O-N 3.13Å
86A76.2Confident66.7Low73 Ų7341.5 Ų41.560%0.60322%0.219SC*.Hα-helixtrans-65.4-45.2176.100000112.2L84 A88 R89 V90L84-A86 PolarHBondContact O-N 2.94Å; L84-A86 VanDerWaalsContact O-N 3.13Å; A86-A88 VanDerWaalsContact C-N 3.33Å; A86-A88 PolarHBondContact O-N 3.09Å; A86-R89 PolarHBondContact O-N 3.18Å; A86-V90 PolarHBondContact O-N 2.93Å
87D81.7Confident69.9Low15 Ų1545.8 Ų45.88%0.0824%0.244CC..Hα-helixtrans-63.3-42.3177-75.615.2000110.8L84 R89 V90 V91 R133 F135 G136 I137L84-D87 HydrophobicContact CB-CB 4.03Å; L84-D87 WeakPolarHBondContact O-CB 3.39Å; L84-D87 PolarHBondContact O-N 3.47Å; D87-R89 VanDerWaalsContact C-N 3.34Å; D87-R89 PolarHBondContact O-N 3.49Å; D87-V90 PolarHBondContact O-N 3.27Å; D87-V91 PolarHBondContact O-N 3.29Å; D87-R133 IonicContact OD1-CZ 3.75Å; D87-R133 IonicContact OD1-NH1 3.69Å; D87-R133 IonicContact OD1-NH2 2.71Å; D87-R133 PolarHBondContact OD1-NH2 2.76Å; D87-R133 IonicContact OD2-CZ 2.81Å; D87-R133 IonicContact OD2-NH1 3.9Å; D87-R133 PolarHBondContact OD2-NH1 3.42Å; D87-R133 IonicContact OD2-NH2 3.55Å; D87-R133 PolarHBondContact OD2-NH2 3.42Å; D87-F135 HydrophobicContact CB-CD1 3.99Å; D87-G136 PolarHBondContact OD2-N 2.91Å; D87-G136 VanDerWaalsContact OD2-N 3.17Å; D87-I137 HydrophobicContact CB-CD1 4.46Å; D87-I137 HydrophobicContact CB-CG2 3.83Å
88A81.9Confident72.6Confident5 Ų547.6 Ų47.64%0.04125%0.252CS..Hα-helixtrans-55-47.2175.500000112.6F81 L84 T85 A86 V90 V91 I92 I137F81-A88 HydrophobicContact CB-CB 3.3Å; F81-A88 HydrophobicContact CD1-CB 3.93Å; F81-A88 HydrophobicContact CD2-CB 3.71Å; F81-A88 HydrophobicContact CE2-CB 4.47Å; F81-A88 HydrophobicContact CG-CB 3.35Å; L84-A88 PolarHBondContact O-N 2.94Å; L84-A88 VanDerWaalsContact O-N 3.08Å; T85-A88 WeakPolarHBondContact O-CB 3.33Å; T85-A88 PolarHBondContact O-N 3.34Å; A86-A88 VanDerWaalsContact C-N 3.33Å; A86-A88 PolarHBondContact O-N 3.09Å; A88-V90 VanDerWaalsContact C-N 3.28Å; A88-V90 PolarHBondContact O-N 3.27Å; A88-V91 PolarHBondContact O-N 3Å; A88-I92 VanDerWaalsContact O-CG1 3.27Å; A88-I92 WeakPolarHBondContact O-CG1 3.22Å; A88-I92 PolarHBondContact O-N 3.17Å; A88-I137 HydrophobicContact CB-CD1 4.48Å; A88-I137 HydrophobicContact CB-CG2 4.49Å
89R83Confident75.2Confident179 Ų17947.6 Ų47.668%0.67525%0.252SS*.Hα-helixtrans-59.3-38.6-179.5-170.9176.4-175.9-177.30.2112.5T85 A86 D87 N93T85-R89 PolarHBondContact O-N 3.21Å; T85-R89 VanDerWaalsContact O-N 3.13Å; A86-R89 PolarHBondContact O-N 3.18Å; D87-R89 VanDerWaalsContact C-N 3.34Å; D87-R89 PolarHBondContact O-N 3.49Å; R89-N93 WeakPolarHBondContact O-CB 2.94Å; R89-N93 VanDerWaalsContact O-CG 3.29Å; R89-N93 PolarHBondContact O-N 2.76Å; R89-N93 PolarHBondContact O-ND2 3.21Å
90V88.3Confident77.6Confident65 Ų6552 Ų5239%0.39427%0.273SS..Hα-helixtrans-66.2-44.3178.1176.60000110.9A86 D87 A88 R94 F135A86-V90 PolarHBondContact O-N 2.93Å; D87-V90 PolarHBondContact O-N 3.27Å; A88-V90 VanDerWaalsContact C-N 3.28Å; A88-V90 PolarHBondContact O-N 3.27Å; V90-R94 PolarHBondContact O-N 2.85Å; V90-R94 VanDerWaalsContact O-N 3.15Å; V90-F135 HydrophobicContact CG1-CE1 4.39Å
91V86.3Confident80.1Confident0 Ų054.7 Ų54.70%029%0.292CS..Hα-helixtrans-66.6-42.6178.8175.90000111.1F81 D87 A88 N93 R94 A95 I119 L122 F135 I137F81-V91 HydrophobicContact CE1-CB 4.18Å; F81-V91 HydrophobicContact CE1-CG1 3.95Å; F81-V91 HydrophobicContact CZ-CB 4.26Å; F81-V91 HydrophobicContact CZ-CG1 4Å; D87-V91 PolarHBondContact O-N 3.29Å; A88-V91 PolarHBondContact O-N 3Å; V91-N93 PolarHBondContact O-N 3.15Å; V91-R94 PolarHBondContact O-N 2.95Å; V91-A95 WeakPolarHBondContact O-CB 3Å; V91-A95 PolarHBondContact O-N 2.96Å; V91-I119 HydrophobicContact CG1-CG1 4.27Å; V91-I119 HydrophobicContact CG1-CG2 3.81Å; V91-L122 HydrophobicContact CG2-CD2 4.45Å; V91-F135 HydrophobicContact CG2-CD1 3.9Å; V91-F135 HydrophobicContact CG2-CD2 4.36Å; V91-F135 HydrophobicContact CG2-CE1 3.77Å; V91-F135 HydrophobicContact CG2-CE2 4.24Å; V91-F135 HydrophobicContact CG2-CG 4.18Å; V91-F135 HydrophobicContact CG2-CZ 3.94Å; V91-I137 HydrophobicContact CB-CD1 4.07Å; V91-I137 HydrophobicContact CG2-CD1 3.71Å
92I84.3Confident82.1Confident12 Ų1255.5 Ų55.56%0.06230%0.296CS..Hα-helixtrans-55.6-52.3174.9-71163000111C65 L67 F81 A88 R94 A95 R96C65-I92 HydrophobicContact CB-CD1 3.94Å; L67-I92 HydrophobicContact CD2-CB 4.33Å; L67-I92 HydrophobicContact CD2-CG1 4.42Å; L67-I92 HydrophobicContact CD2-CG2 3.82Å; F81-I92 HydrophobicContact CD2-CD1 3.73Å; F81-I92 HydrophobicContact CD2-CG1 3.95Å; F81-I92 HydrophobicContact CE2-CD1 3.44Å; F81-I92 VanDerWaalsContact CE2-CD1 3.44Å; F81-I92 HydrophobicContact CE2-CG1 3.12Å; F81-I92 HydrophobicContact CZ-CD1 4.41Å; F81-I92 HydrophobicContact CZ-CG1 3.71Å; A88-I92 VanDerWaalsContact O-CG1 3.27Å; A88-I92 WeakPolarHBondContact O-CG1 3.22Å; A88-I92 PolarHBondContact O-N 3.17Å; I92-R94 VanDerWaalsContact C-N 3.3Å; I92-R94 PolarHBondContact O-N 2.81Å; I92-A95 PolarHBondContact O-N 2.78Å; I92-R96 HydrophobicContact CG2-CG 4.38Å; I92-R96 WeakPolarHBondContact O-CG 3.38Å; I92-R96 PolarHBondContact O-N 2.71Å
93N87.6Confident84Confident73 Ų7358.2 Ų58.239%0.3931%0.307SS..Hα-helixtrans-63.6-38.6-175.7-73.8-14000111.7R89 V91 R96 V97R89-N93 WeakPolarHBondContact O-CB 2.94Å; R89-N93 VanDerWaalsContact O-CG 3.29Å; R89-N93 PolarHBondContact O-N 2.76Å; R89-N93 PolarHBondContact O-ND2 3.21Å; V91-N93 PolarHBondContact O-N 3.15Å; N93-R96 PolarHBondContact O-N 3.02Å; N93-V97 WeakPolarHBondContact O-CG2 3.09Å; N93-V97 PolarHBondContact O-N 3.14Å; N93-V97 VanDerWaalsContact O-N 3.15Å
94R90Very high85.7Confident86 Ų8663.9 Ų63.933%0.32533%0.33SS..Hα-helixtrans-65.6-41.8174.1-77.2-177.6172.1159.51.3112.5V90 V91 I92 V97 E98 L122 Y126V90-R94 PolarHBondContact O-N 2.85Å; V90-R94 VanDerWaalsContact O-N 3.15Å; V91-R94 PolarHBondContact O-N 2.95Å; I92-R94 VanDerWaalsContact C-N 3.3Å; I92-R94 PolarHBondContact O-N 2.81Å; R94-V97 PolarHBondContact O-N 3Å; R94-E98 PolarHBondContact O-N 2.93Å; R94-L122 HydrophobicContact CB-CD2 4.01Å; R94-L122 HydrophobicContact CG-CD2 4.48Å; R94-Y126 VanDerWaalsContact CZ-OH 3.3Å; R94-Y126 VanDerWaalsContact NH1-CZ 3.27Å; R94-Y126 PolarHBondContact NH1-OH 2.9Å; R94-Y126 PolarHBondContact NH2-OH 2.9Å
95A89Confident87Confident0 Ų065 Ų650%034%0.34CS..Hα-helixtrans-64.7-40177.800000111.6L67 V91 I92 V97 E98 C99 I115 I119L67-A95 HydrophobicContact CD1-CB 3.66Å; L67-A95 HydrophobicContact CD2-CB 4.23Å; V91-A95 WeakPolarHBondContact O-CB 3Å; V91-A95 PolarHBondContact O-N 2.96Å; I92-A95 PolarHBondContact O-N 2.78Å; A95-V97 PolarHBondContact O-N 3.39Å; A95-E98 WeakPolarHBondContact O-CB 3.01Å; A95-E98 PolarHBondContact O-N 3.32Å; A95-C99 PolarHBondContact O-N 3.2Å; A95-C99 PolarHBondContact O-SG 3.46Å; A95-I115 HydrophobicContact CB-CD1 4.03Å; A95-I119 HydrophobicContact CB-CD1 3.93Å; A95-I119 HydrophobicContact CB-CG1 4.04Å
96R88.8Confident87.8Confident99 Ų9963 Ų6337%0.37433%0.328SS..Hα-helixtrans-58.8-45.5173.4-73.8177.5173.7160.1-4.1112.6A66 L67 I92 N93 E98 C99 Q100A66-R96 PolarHBondContact O-NE 3.14Å; A66-R96 VanDerWaalsContact O-NE 3.12Å; A66-R96 PolarHBondContact O-NH2 3.43Å; L67-R96 HydrophobicContact CB-CG 4.48Å; L67-R96 HydrophobicContact CD2-CG 4.12Å; L67-R96 WeakPolarHBondContact O-CG 3.39Å; I92-R96 HydrophobicContact CG2-CG 4.38Å; I92-R96 WeakPolarHBondContact O-CG 3.38Å; I92-R96 PolarHBondContact O-N 2.71Å; N93-R96 PolarHBondContact O-N 3.02Å; R96-E98 VanDerWaalsContact C-N 3.31Å; R96-E98 PolarHBondContact O-N 3.43Å; R96-C99 PolarHBondContact O-N 3.05Å; R96-Q100 PolarHBondContact O-N 3.48Å
97V91.5Very high88.4Confident101 Ų10167.7 Ų67.761%0.61234%0.338SS*.Hα-helixtrans-62.3-42176.7172.10000110.5N93 R94 A95 Q100 S101N93-V97 WeakPolarHBondContact O-CG2 3.09Å; N93-V97 PolarHBondContact O-N 3.14Å; N93-V97 VanDerWaalsContact O-N 3.15Å; R94-V97 PolarHBondContact O-N 3Å; A95-V97 PolarHBondContact O-N 3.39Å; V97-Q100 PolarHBondContact O-N 3.26Å; V97-S101 WeakPolarHBondContact O-CB 2.99Å; V97-S101 PolarHBondContact O-N 3.05Å
98E91.3Very high88.5Confident43 Ų4371.9 Ų71.920%0.20136%0.36CS..Hα-helixtrans-61.9-43.4176.8-169.868-174.800112.3R94 A95 R96 Q100 S101 H102 Y114 I115 F118R94-E98 PolarHBondContact O-N 2.93Å; A95-E98 WeakPolarHBondContact O-CB 3.01Å; A95-E98 PolarHBondContact O-N 3.32Å; R96-E98 VanDerWaalsContact C-N 3.31Å; R96-E98 PolarHBondContact O-N 3.43Å; E98-Q100 VanDerWaalsContact C-N 3.31Å; E98-Q100 PolarHBondContact O-N 3.33Å; E98-S101 PolarHBondContact O-N 3.44Å; E98-H102 WeakPolarHBondContact O-CB 3.43Å; E98-H102 PolarHBondContact O-N 3.19Å; E98-Y114 HydrophobicContact CG-CE1 4.26Å; E98-Y114 PolarHBondContact OE1-OH 3.47Å; E98-I115 HydrophobicContact CB-CD1 4.25Å; E98-I115 HydrophobicContact CG-CD1 4.38Å; E98-F118 HydrophobicContact CB-CD1 3.95Å; E98-F118 HydrophobicContact CB-CD2 4.4Å; E98-F118 HydrophobicContact CB-CE1 3.66Å; E98-F118 HydrophobicContact CB-CE2 4.13Å; E98-F118 HydrophobicContact CB-CG 4.3Å; E98-F118 HydrophobicContact CB-CZ 3.76Å; E98-F118 HydrophobicContact CG-CB 4.41Å; E98-F118 HydrophobicContact CG-CD1 3.88Å; E98-F118 HydrophobicContact CG-CD2 3.64Å; E98-F118 HydrophobicContact CG-CE1 3.97Å; E98-F118 HydrophobicContact CG-CE2 3.73Å; E98-F118 HydrophobicContact CG-CG 3.71Å; E98-F118 HydrophobicContact CG-CZ 3.89Å; E98-F118 VanDerWaalsContact OE2-CE2 3.24Å; E98-F118 WeakPolarHBondContact OE2-CE2 3.48Å
99C88.8Confident88.5Confident1 Ų173.8 Ų73.81%0.00737%0.372CS..Hα-helixtrans-55.3-47.5176.2-63.20000111.5D68 A95 R96 K103 V110D68-C99 HydrophobicContact CB-CB 4.45Å; A95-C99 PolarHBondContact O-N 3.2Å; A95-C99 PolarHBondContact O-SG 3.46Å; R96-C99 PolarHBondContact O-N 3.05Å; C99-K103 WeakPolarHBondContact O-CB 3.48Å; C99-K103 PolarHBondContact O-N 2.99Å; C99-V110 HydrophobicContact CB-CG2 4.16Å
100Q89.6Confident88.7Confident92 Ų9265.5 Ų65.543%0.4334%0.341SS..Hα-helixtrans-69.6-37.5179.2-59.3-51.3-51.900112.3D68 R96 V97 E98 K103 L104D68-Q100 PolarHBondContact OD1-NE2 2.97Å; R96-Q100 PolarHBondContact O-N 3.48Å; V97-Q100 PolarHBondContact O-N 3.26Å; E98-Q100 VanDerWaalsContact C-N 3.31Å; E98-Q100 PolarHBondContact O-N 3.33Å; Q100-K103 PolarHBondContact O-N 3.36Å; Q100-L104 WeakPolarHBondContact O-CB 3.31Å; Q100-L104 PolarHBondContact O-N 3.32Å
101S92.9Very high88.7Confident58 Ų5865.2 Ų65.241%0.40634%0.34SS..Hα-helixtrans-64.9-45.1177.8-169.60000111.9V97 E98 L104 T105V97-S101 WeakPolarHBondContact O-CB 2.99Å; V97-S101 PolarHBondContact O-N 3.05Å; E98-S101 PolarHBondContact O-N 3.44Å; S101-L104 PolarHBondContact O-N 3.18Å; S101-T105 PolarHBondContact O-N 3.13Å; S101-T105 VanDerWaalsContact O-N 3.14Å; S101-T105 PolarHBondContact O-OG1 2.71Å
102H89.8Confident88.8Confident32 Ų3265.2 Ų65.215%0.14834%0.34CS..Hα-helixtrans-61.6-48.7175.9-180-81.5000110.4E98 L104 T105 V106 D108 V110 Y114E98-H102 WeakPolarHBondContact O-CB 3.43Å; E98-H102 PolarHBondContact O-N 3.19Å; H102-L104 VanDerWaalsContact C-N 3.28Å; H102-L104 PolarHBondContact O-N 2.61Å; H102-T105 PolarHBondContact O-N 3.33Å; H102-V106 WeakPolarHBondContact O-CB 3.37Å; H102-V106 PolarHBondContact O-N 3.32Å; H102-D108 PolarHBondContact ND1-O 3.11Å; H102-V110 HydrophobicContact CB-CG1 3.46Å; H102-V110 VanDerWaalsContact CB-CG1 3.46Å; H102-V110 VanDerWaalsContact CG-CG1 3.49Å; H102-Y114 HydrophobicContact CB-CE1 4.16Å; H102-Y114 AromaticContact CD2-CE1 3.51Å; H102-Y114 AromaticContact CD2-CZ 3.47Å; H102-Y114 VanDerWaalsContact CD2-CZ 3.47Å
103K86.9Confident89.1Confident59 Ų5967.6 Ų67.626%0.25735%0.35SS..Hα-helixtrans-58.6-39.7178.4-173.6177-177.9177.40112.6H70 C99 Q100 T105 E107H70-K103 PolarHBondContact CD2-NZ 3.24Å; H70-K103 VanDerWaalsContact CD2-NZ 3.28Å; C99-K103 WeakPolarHBondContact O-CB 3.48Å; C99-K103 PolarHBondContact O-N 2.99Å; Q100-K103 PolarHBondContact O-N 3.36Å; K103-T105 VanDerWaalsContact C-N 3.28Å; K103-T105 PolarHBondContact O-N 2.8Å; K103-E107 WeakPolarHBondContact O-CA 3.24Å; K103-E107 PolarHBondContact O-N 3.32Å
104L91.9Very high89.3Confident149 Ų14967.6 Ų67.678%0.7835%0.345SS*.Hα-helixtrans-66.1-31.5176-178.663.2000112.7Q100 S101 H102Q100-L104 WeakPolarHBondContact O-CB 3.31Å; Q100-L104 PolarHBondContact O-N 3.32Å; S101-L104 PolarHBondContact O-N 3.18Å; H102-L104 VanDerWaalsContact C-N 3.28Å; H102-L104 PolarHBondContact O-N 2.61Å
105T93.9Very high89.2Confident109 Ų10963.5 Ų63.567%0.66933%0.33SS*.Hα-helixtrans-90.1-40.1-173.4-52.70000112.6S101 H102 K103S101-T105 PolarHBondContact O-N 3.13Å; S101-T105 VanDerWaalsContact O-N 3.14Å; S101-T105 PolarHBondContact O-OG1 2.71Å; H102-T105 PolarHBondContact O-N 3.33Å; K103-T105 VanDerWaalsContact C-N 3.28Å; K103-T105 PolarHBondContact O-N 2.8Å
106V90.4Very high89.3Confident73 Ų7363.5 Ų63.544%0.44233%0.33SS..Hα-helixtrans-104-10.3-172.1-172.90000111.2H102 D108H102-V106 WeakPolarHBondContact O-CB 3.37Å; H102-V106 PolarHBondContact O-N 3.32Å; V106-D108 HydrophobicContact CG1-CB 4.34Å; V106-D108 PolarHBondContact O-N 3.3Å
107E87.6Confident89.6Confident171 Ų17164.5 Ų64.580%0.79933%0.334SS*.SBendtrans62.6-10.3-174.3-57.9-170.2153.100115.1K103K103-E107 WeakPolarHBondContact O-CA 3.24Å; K103-E107 PolarHBondContact O-N 3.32Å
108D85.1Confident89.7Confident103 Ų10362.2 Ų62.255%0.55132%0.316SS*.SBendtrans-100149.5174.1-70.5-38000113.2H102 V106H102-D108 PolarHBondContact ND1-O 3.11Å; V106-D108 HydrophobicContact CG1-CB 4.34Å; V106-D108 PolarHBondContact O-N 3.3Å
109P82.2Confident89.6Confident45 Ų4560.2 Ų60.229%0.29231%0.307SS..PPolyproline II helixtrans-62.9154.6171.728.4-34.4000111.7F75F75-P109 HydrophobicContact CD2-CB 4.06Å; F75-P109 HydrophobicContact CD2-CG 4.17Å; F75-P109 HydrophobicContact CE2-CB 4.25Å; F75-P109 HydrophobicContact CE2-CG 4.01Å
110V85.7Confident89.8Confident4 Ų460.3 Ų60.32%0.02431%0.307CS..PPolyproline II helixtrans-67.5140.3178.6-71.10000111.9F75 C99 H102 Y114 I115F75-V110 WeakPolarHBondContact CD1-O 3.24Å; F75-V110 WeakPolarHBondContact CE1-O 3.14Å; F75-V110 WeakPolarHBondContact CG-O 3.4Å; F75-V110 VanDerWaalsContact CZ-O 3.22Å; F75-V110 WeakPolarHBondContact CZ-O 3.29Å; C99-V110 HydrophobicContact CB-CG2 4.16Å; H102-V110 HydrophobicContact CB-CG1 3.46Å; H102-V110 VanDerWaalsContact CB-CG1 3.46Å; H102-V110 VanDerWaalsContact CG-CG1 3.49Å; V110-Y114 HydrophobicContact CB-CD1 3.99Å; V110-Y114 HydrophobicContact CG1-CD1 3.71Å; V110-Y114 HydrophobicContact CG1-CE1 3.84Å; V110-I115 HydrophobicContact CG2-CB 4.32Å
111T88.8Confident90.1Very high60 Ų6059.5 Ų59.537%0.36831%0.309SS..PPolyproline II helixtrans-71.5153168.259.70000111.8F75 E113 Y114 I115 D145F75-T111 HydrophobicContact CZ-CG2 4.47Å; T111-E113 PolarHBondContact O-N 2.95Å; T111-Y114 PolarHBondContact O-N 3.4Å; T111-Y114 WeakPolarHBondContact OG1-CB 3.43Å; T111-Y114 PolarHBondContact OG1-N 3.39Å; T111-I115 WeakPolarHBondContact O-CG2 3.43Å; T111-I115 PolarHBondContact O-N 3.5Å; T111-I115 VanDerWaalsContact O-N 3.16Å; T111-D145 WeakPolarHBondContact CA-OD1 2.95Å; T111-D145 WeakPolarHBondContact CB-OD1 3.4Å; T111-D145 WeakPolarHBondContact CG2-OD1 3.44Å
112V88.2Confident90.1Very high0 Ų057.8 Ų57.80%030%0.295CS..Hα-helixtrans-63.9-35.3179.8-176.60000109.8F75 I115 T116 I141 D145 R151 Y153F75-V112 HydrophobicContact CD1-CG2 3.64Å; F75-V112 HydrophobicContact CE1-CG2 3.77Å; V112-I115 WeakPolarHBondContact O-CG2 3.23Å; V112-T116 VanDerWaalsContact O-CB 3.27Å; V112-T116 WeakPolarHBondContact O-CB 3.35Å; V112-T116 PolarHBondContact O-N 2.77Å; V112-T116 VanDerWaalsContact O-N 3.17Å; V112-T116 PolarHBondContact O-OG1 2.92Å; V112-I141 HydrophobicContact CG1-CG2 3.66Å; V112-D145 WeakPolarHBondContact CG2-OD2 3.44Å; V112-D145 PolarHBondContact N-OD1 3.46Å; V112-R151 HydrophobicContact CB-CB 4.23Å; V112-R151 HydrophobicContact CG1-CB 4.25Å; V112-R151 HydrophobicContact CG2-CB 4.44Å; V112-Y153 HydrophobicContact CG1-CD2 3.8Å; V112-Y153 HydrophobicContact CG1-CE2 4.26Å
113E90.4Very high90.2Very high61 Ų6156.2 Ų56.229%0.28529%0.288SS..Hα-helixtrans-67.9-44.9175.6-166.2-168.515300111.7T111 I115 T116 R117 Y153 Y161T111-E113 PolarHBondContact O-N 2.95Å; E113-I115 PolarHBondContact O-N 3.09Å; E113-T116 WeakPolarHBondContact O-CB 3.39Å; E113-T116 PolarHBondContact O-N 3.45Å; E113-R117 WeakPolarHBondContact O-CB 3.37Å; E113-R117 PolarHBondContact O-N 2.78Å; E113-R117 IonicContact OE1-CZ 3.95Å; E113-R117 IonicContact OE1-NH2 3.37Å; E113-R117 PolarHBondContact OE1-NH2 3.12Å; E113-Y153 HydrophobicContact CB-CE2 4.24Å; E113-Y153 HydrophobicContact CG-CE1 4.14Å; E113-Y161 HydrophobicContact CG-CE2 4.11Å; E113-Y161 PolarHBondContact OE1-OH 3.32Å
114Y91.9Very high90.5Very high73 Ų7357.3 Ų57.329%0.28629%0.294SS..Hα-helixtrans-58.5-51-178.3172-94.7000111.9E98 H102 V110 T111 T116 R117 F118E98-Y114 HydrophobicContact CG-CE1 4.26Å; E98-Y114 PolarHBondContact OE1-OH 3.47Å; H102-Y114 HydrophobicContact CB-CE1 4.16Å; H102-Y114 AromaticContact CD2-CE1 3.51Å; H102-Y114 AromaticContact CD2-CZ 3.47Å; H102-Y114 VanDerWaalsContact CD2-CZ 3.47Å; V110-Y114 HydrophobicContact CB-CD1 3.99Å; V110-Y114 HydrophobicContact CG1-CD1 3.71Å; V110-Y114 HydrophobicContact CG1-CE1 3.84Å; T111-Y114 PolarHBondContact O-N 3.4Å; T111-Y114 WeakPolarHBondContact OG1-CB 3.43Å; T111-Y114 PolarHBondContact OG1-N 3.39Å; Y114-T116 VanDerWaalsContact C-N 3.3Å; Y114-T116 PolarHBondContact O-N 2.87Å; Y114-R117 WeakPolarHBondContact O-CB 3.43Å; Y114-R117 PolarHBondContact O-N 3.12Å; Y114-R117 VanDerWaalsContact O-N 3.16Å; Y114-F118 PolarHBondContact O-N 3.42Å
115I89.6Confident90.6Very high0 Ų056.4 Ų56.40%028%0.283CS..Hα-helixtrans-67.4-33.2180-170.260.9000112.1L67 V77 A95 E98 V110 T111 V112 E113 F118 I119L67-I115 HydrophobicContact CD1-CG1 4.16Å; V77-I115 HydrophobicContact CG2-CG2 3.45Å; V77-I115 VanDerWaalsContact CG2-CG2 3.45Å; A95-I115 HydrophobicContact CB-CD1 4.03Å; E98-I115 HydrophobicContact CB-CD1 4.25Å; E98-I115 HydrophobicContact CG-CD1 4.38Å; V110-I115 HydrophobicContact CG2-CB 4.32Å; T111-I115 WeakPolarHBondContact O-CG2 3.43Å; T111-I115 PolarHBondContact O-N 3.5Å; T111-I115 VanDerWaalsContact O-N 3.16Å; V112-I115 WeakPolarHBondContact O-CG2 3.23Å; E113-I115 PolarHBondContact O-N 3.09Å; I115-F118 HydrophobicContact CD1-CD1 4.23Å; I115-F118 PolarHBondContact O-N 2.96Å; I115-I119 HydrophobicContact CG1-CD1 4.33Å; I115-I119 WeakPolarHBondContact O-CG1 3.46Å; I115-I119 PolarHBondContact O-N 2.91Å
116T90.6Very high90.5Very high0 Ų052.9 Ų52.90%026%0.258CS..Hα-helixtrans-61.5-46.5171.3-63.10000110.9V112 E113 Y114 I119 A120 I141 Y153 T155 Y161V112-T116 VanDerWaalsContact O-CB 3.27Å; V112-T116 WeakPolarHBondContact O-CB 3.35Å; V112-T116 PolarHBondContact O-N 2.77Å; V112-T116 VanDerWaalsContact O-N 3.17Å; V112-T116 PolarHBondContact O-OG1 2.92Å; E113-T116 WeakPolarHBondContact O-CB 3.39Å; E113-T116 PolarHBondContact O-N 3.45Å; Y114-T116 VanDerWaalsContact C-N 3.3Å; Y114-T116 PolarHBondContact O-N 2.87Å; T116-I119 PolarHBondContact O-N 3.36Å; T116-A120 WeakPolarHBondContact O-CB 3.39Å; T116-A120 PolarHBondContact O-N 3.41Å; T116-I141 HydrophobicContact CG2-CD1 4.13Å; T116-I141 VanDerWaalsContact OG1-CG2 3.24Å; T116-I141 WeakPolarHBondContact OG1-CG2 3.4Å; T116-Y153 HydrophobicContact CG2-CD1 4.09Å; T116-Y153 HydrophobicContact CG2-CG 4.01Å; T116-T155 HydrophobicContact CG2-CG2 3.58Å; T116-Y161 HydrophobicContact CG2-CD2 3.57Å; T116-Y161 HydrophobicContact CG2-CE2 4.36Å; T116-Y161 HydrophobicContact CG2-CG 3.7Å
117R94.1Very high90.5Very high121 Ų12150 Ų5046%0.45724%0.241SC..Hα-helixtrans-61.4-45177.5-171.5-175.9-58.4173.24.9111E113 Y114 I119 A120 T121 Y161E113-R117 WeakPolarHBondContact O-CB 3.37Å; E113-R117 PolarHBondContact O-N 2.78Å; E113-R117 IonicContact OE1-CZ 3.95Å; E113-R117 IonicContact OE1-NH2 3.37Å; E113-R117 PolarHBondContact OE1-NH2 3.12Å; Y114-R117 WeakPolarHBondContact O-CB 3.43Å; Y114-R117 PolarHBondContact O-N 3.12Å; Y114-R117 VanDerWaalsContact O-N 3.16Å; R117-I119 PolarHBondContact O-N 2.83Å; R117-A120 WeakPolarHBondContact O-CB 3.49Å; R117-A120 PolarHBondContact O-N 3.38Å; R117-T121 PolarHBondContact O-N 3.28Å; R117-T121 PolarHBondContact O-OG1 2.83Å; R117-T121 VanDerWaalsContact O-OG1 3.07Å; R117-Y161 HydrophobicContact CB-CE1 4Å; R117-Y161 HydrophobicContact CG-CE1 3.96Å; R117-Y161 PolarHBondContact NE-OH 3.41Å; R117-Y161 VanDerWaalsContact NE-OH 3.14Å
118F93.7Very high90.6Very high53 Ų5348.6 Ų48.623%0.23223%0.234CC..Hα-helixtrans-57.2-47.6175173.6-96.9000112.1E98 Y114 I115 A120 T121 L122E98-F118 HydrophobicContact CB-CD1 3.95Å; E98-F118 HydrophobicContact CB-CD2 4.4Å; E98-F118 HydrophobicContact CB-CE1 3.66Å; E98-F118 HydrophobicContact CB-CE2 4.13Å; E98-F118 HydrophobicContact CB-CG 4.3Å; E98-F118 HydrophobicContact CB-CZ 3.76Å; E98-F118 HydrophobicContact CG-CB 4.41Å; E98-F118 HydrophobicContact CG-CD1 3.88Å; E98-F118 HydrophobicContact CG-CD2 3.64Å; E98-F118 HydrophobicContact CG-CE1 3.97Å; E98-F118 HydrophobicContact CG-CE2 3.73Å; E98-F118 HydrophobicContact CG-CG 3.71Å; E98-F118 HydrophobicContact CG-CZ 3.89Å; E98-F118 VanDerWaalsContact OE2-CE2 3.24Å; E98-F118 WeakPolarHBondContact OE2-CE2 3.48Å; Y114-F118 PolarHBondContact O-N 3.42Å; I115-F118 HydrophobicContact CD1-CD1 4.23Å; I115-F118 PolarHBondContact O-N 2.96Å; F118-A120 VanDerWaalsContact C-N 3.34Å; F118-A120 PolarHBondContact O-N 3.15Å; F118-T121 PolarHBondContact O-N 3.14Å; F118-L122 VanDerWaalsContact O-CB 3.31Å; F118-L122 WeakPolarHBondContact O-CB 3.43Å; F118-L122 PolarHBondContact O-N 2.9Å
119I89.1Confident90.8Very high1 Ų145.1 Ų45.11%0.00522%0.218CC..Hα-helixtrans-62.9-41.6177.7-70165.7000111L67 V91 A95 I115 T116 R117 L122 K123 I141 T155L67-I119 HydrophobicContact CD1-CD1 4.38Å; V91-I119 HydrophobicContact CG1-CG1 4.27Å; V91-I119 HydrophobicContact CG1-CG2 3.81Å; A95-I119 HydrophobicContact CB-CD1 3.93Å; A95-I119 HydrophobicContact CB-CG1 4.04Å; I115-I119 HydrophobicContact CG1-CD1 4.33Å; I115-I119 WeakPolarHBondContact O-CG1 3.46Å; I115-I119 PolarHBondContact O-N 2.91Å; T116-I119 PolarHBondContact O-N 3.36Å; R117-I119 PolarHBondContact O-N 2.83Å; I119-L122 WeakPolarHBondContact O-CB 3.32Å; I119-L122 PolarHBondContact O-N 3.28Å; I119-K123 WeakPolarHBondContact O-CG 3.33Å; I119-K123 PolarHBondContact O-N 3.15Å; I119-I141 HydrophobicContact CD1-CD1 3.65Å; I119-T155 HydrophobicContact CG2-CG2 4.46Å
120A93.3Very high90.9Very high2 Ų247.6 Ų47.62%0.01723%0.229CC..Hα-helixtrans-63-48.2178.100000111.6T116 R117 F118 L122 K123 Q124 G159 Y161T116-A120 WeakPolarHBondContact O-CB 3.39Å; T116-A120 PolarHBondContact O-N 3.41Å; R117-A120 WeakPolarHBondContact O-CB 3.49Å; R117-A120 PolarHBondContact O-N 3.38Å; F118-A120 VanDerWaalsContact C-N 3.34Å; F118-A120 PolarHBondContact O-N 3.15Å; A120-L122 VanDerWaalsContact C-N 3.31Å; A120-L122 PolarHBondContact O-N 2.92Å; A120-K123 PolarHBondContact O-N 3.31Å; A120-K123 VanDerWaalsContact O-N 3.16Å; A120-Q124 PolarHBondContact O-N 3.32Å; A120-G159 WeakPolarHBondContact CB-O 3.23Å; A120-G159 VanDerWaalsContact O-CA 3.29Å; A120-G159 WeakPolarHBondContact O-CA 3.34Å; A120-Y161 HydrophobicContact CB-CD1 3.71Å; A120-Y161 HydrophobicContact CB-CG 4.34Å
121T95.5Very high90.9Very high76 Ų7649.1 Ų49.147%0.46625%0.245SC..Hα-helixtrans-61.4-38.6174.3-58.10000111.7R117 F118 K123 Q124 K125R117-T121 PolarHBondContact O-N 3.28Å; R117-T121 PolarHBondContact O-OG1 2.83Å; R117-T121 VanDerWaalsContact O-OG1 3.07Å; F118-T121 PolarHBondContact O-N 3.14Å; T121-K123 VanDerWaalsContact C-N 3.34Å; T121-K123 PolarHBondContact O-N 2.91Å; T121-Q124 PolarHBondContact O-N 3.01Å; T121-K125 WeakPolarHBondContact O-CB 3.48Å; T121-K125 PolarHBondContact O-N 3.06Å
122L93.1Very high90.9Very high21 Ų2151.3 Ų51.311%0.1125%0.247CC..Hα-helixtrans-61.3-43.2175.1-178.565.5000111.6V91 R94 F118 I119 A120 Y126 F135V91-L122 HydrophobicContact CG2-CD2 4.45Å; R94-L122 HydrophobicContact CB-CD2 4.01Å; R94-L122 HydrophobicContact CG-CD2 4.48Å; F118-L122 VanDerWaalsContact O-CB 3.31Å; F118-L122 WeakPolarHBondContact O-CB 3.43Å; F118-L122 PolarHBondContact O-N 2.9Å; I119-L122 WeakPolarHBondContact O-CB 3.32Å; I119-L122 PolarHBondContact O-N 3.28Å; A120-L122 VanDerWaalsContact C-N 3.31Å; A120-L122 PolarHBondContact O-N 2.92Å; L122-Y126 HydrophobicContact CD1-CE2 4.23Å; L122-Y126 WeakPolarHBondContact O-CD2 3.33Å; L122-Y126 PolarHBondContact O-N 3.28Å; L122-F135 HydrophobicContact CG-CE2 4.43Å
123K91.6Very high91Very high0 Ų057.1 Ų57.10%027%0.269CS..Hα-helixtrans-64.5-47.7175.8-70.6-179.3-175.9-175.80111.4I119 A120 T121 K125 Y126 T127 F135 I137 T155 D156I119-K123 WeakPolarHBondContact O-CG 3.33Å; I119-K123 PolarHBondContact O-N 3.15Å; A120-K123 PolarHBondContact O-N 3.31Å; A120-K123 VanDerWaalsContact O-N 3.16Å; T121-K123 VanDerWaalsContact C-N 3.34Å; T121-K123 PolarHBondContact O-N 2.91Å; K123-K125 VanDerWaalsContact C-N 3.32Å; K123-K125 PolarHBondContact O-N 2.96Å; K123-Y126 WeakPolarHBondContact O-CB 3.39Å; K123-Y126 PolarHBondContact O-N 3Å; K123-T127 PolarHBondContact O-N 3.22Å; K123-F135 HydrophobicContact CB-CD2 4.47Å; K123-F135 HydrophobicContact CG-CB 4.48Å; K123-F135 HydrophobicContact CG-CD2 4.08Å; K123-I137 PolarHBondContact NZ-O 3.2Å; K123-T155 PolarHBondContact NZ-OG1 3.07Å; K123-D156 WeakPolarHBondContact CD-O 3.3Å
124Q94.9Very high91Very high82 Ų8254.5 Ų54.538%0.38326%0.257SS..Hα-helixtrans-59.8-40.1177.7-168-17119.300112.2A120 T121 Y126 T127 Q128A120-Q124 PolarHBondContact O-N 3.32Å; T121-Q124 PolarHBondContact O-N 3.01Å; Q124-Y126 PolarHBondContact O-N 3.29Å; Q124-T127 PolarHBondContact O-N 3.42Å; Q124-T127 PolarHBondContact O-OG1 2.82Å; Q124-Q128 PolarHBondContact O-N 3.27Å; Q124-Q128 VanDerWaalsContact O-N 3.17Å
125K94.1Very high90.8Very high130 Ų13051.5 Ų51.557%0.56525%0.245SC*.Hα-helixtrans-59.3-34.1177-171.4169.8-175.6170.50111.8T121 K123 T127 Q128 S129T121-K125 WeakPolarHBondContact O-CB 3.48Å; T121-K125 PolarHBondContact O-N 3.06Å; K123-K125 VanDerWaalsContact C-N 3.32Å; K123-K125 PolarHBondContact O-N 2.96Å; K125-T127 VanDerWaalsContact C-N 3.35Å; K125-Q128 PolarHBondContact O-N 2.8Å; K125-S129 VanDerWaalsContact O-CB 3.26Å; K125-S129 WeakPolarHBondContact O-CB 3.37Å; K125-S129 PolarHBondContact O-N 2.85Å; K125-S129 PolarHBondContact O-OG 3.16Å
126Y91.5Very high90.6Very high35 Ų3551.7 Ų51.714%0.13725%0.247CC..Hα-helixtrans-75.7-19.8175.9-87.1-114.8000113.7R94 L122 K123 Q124 R132 F135R94-Y126 VanDerWaalsContact CZ-OH 3.3Å; R94-Y126 VanDerWaalsContact NH1-CZ 3.27Å; R94-Y126 PolarHBondContact NH1-OH 2.9Å; R94-Y126 PolarHBondContact NH2-OH 2.9Å; L122-Y126 HydrophobicContact CD1-CE2 4.23Å; L122-Y126 WeakPolarHBondContact O-CD2 3.33Å; L122-Y126 PolarHBondContact O-N 3.28Å; K123-Y126 WeakPolarHBondContact O-CB 3.39Å; K123-Y126 PolarHBondContact O-N 3Å; Q124-Y126 PolarHBondContact O-N 3.29Å; Y126-R132 HydrophobicContact CD1-CB 4.07Å; Y126-R132 HydrophobicContact CD1-CG 4.5Å; Y126-R132 VanDerWaalsContact CE2-NH1 3.32Å; Y126-R132 VanDerWaalsContact CZ-NH1 3.28Å; Y126-R132 PolarHBondContact OH-NH1 3.32Å; Y126-F135 HydrophobicContact CD1-CD2 4.26Å; Y126-F135 AromaticContact CD1-CE2 3.65Å; Y126-F135 HydrophobicContact CD1-CE2 3.65Å; Y126-F135 AromaticContact CD1-CZ 3.82Å; Y126-F135 HydrophobicContact CD1-CZ 3.82Å; Y126-F135 HydrophobicContact CD2-CD2 4.41Å; Y126-F135 AromaticContact CD2-CE2 3.47Å; Y126-F135 HydrophobicContact CD2-CE2 3.47Å; Y126-F135 VanDerWaalsContact CD2-CE2 3.47Å; Y126-F135 HydrophobicContact CD2-CZ 4.03Å; Y126-F135 HydrophobicContact CE1-CE1 4.39Å; Y126-F135 AromaticContact CE1-CE2 3.97Å; Y126-F135 HydrophobicContact CE1-CE2 3.97Å; Y126-F135 AromaticContact CE1-CZ 3.68Å; Y126-F135 HydrophobicContact CE1-CZ 3.68Å; Y126-F135 AromaticContact CE2-CE2 3.81Å; Y126-F135 HydrophobicContact CE2-CE2 3.81Å; Y126-F135 AromaticContact CE2-CZ 3.91Å; Y126-F135 HydrophobicContact CE2-CZ 3.91Å; Y126-F135 AromaticContact CG-CD2 3.98Å; Y126-F135 HydrophobicContact CG-CD2 3.98Å; Y126-F135 AromaticContact CG-CE2 3.38Å; Y126-F135 HydrophobicContact CG-CE2 3.38Å; Y126-F135 AromaticContact CG-CZ 3.99Å; Y126-F135 HydrophobicContact CG-CZ 3.99Å; Y126-F135 AromaticContact CZ-CZ 3.72Å
127T90.5Very high90.4Very high12 Ų1251.7 Ų51.77%0.07425%0.247CC..Hα-helixtrans-82.3-22.2172.667.50000112.4T10 V21 K123 Q124 K125 P134T10-T127 WeakPolarHBondContact CB-O 3.49Å; T10-T127 WeakPolarHBondContact CG2-O 3.41Å; T10-T127 PolarHBondContact OG1-O 3.18Å; V21-T127 HydrophobicContact CG2-CG2 3.98Å; K123-T127 PolarHBondContact O-N 3.22Å; Q124-T127 PolarHBondContact O-N 3.42Å; Q124-T127 PolarHBondContact O-OG1 2.82Å; K125-T127 VanDerWaalsContact C-N 3.35Å; T127-P134 HydrophobicContact CG2-CB 4Å; T127-P134 HydrophobicContact CG2-CG 4.05Å
128Q89.5Confident90Very high141 Ų14146.1 Ų46.166%0.65923%0.227SC*.Hα-helixtrans-105.8-8.1-178.7-65.2-179.9-13.600114.3Q124 K125Q124-Q128 PolarHBondContact O-N 3.27Å; Q124-Q128 VanDerWaalsContact O-N 3.17Å; K125-Q128 PolarHBondContact O-N 2.8Å
129S88.3Confident89.7Confident30 Ų3043.6 Ų43.621%0.2122%0.216CC..SBendtrans-88.6135.2179.9-63.90000112.2K125K125-S129 VanDerWaalsContact O-CB 3.26Å; K125-S129 WeakPolarHBondContact O-CB 3.37Å; K125-S129 PolarHBondContact O-N 2.85Å; K125-S129 PolarHBondContact O-OG 3.16Å
130N85.8Confident89.7Confident98 Ų9843.6 Ų43.652%0.52422%0.216SC..THydrogen-bonded Turntrans-61.7146.5173.4-63.9-25.1000111.9R132N130-R132 PolarHBondContact O-N 2.72Å; N130-R132 VanDerWaalsContact O-N 3.14Å
131G85.6Confident89.4Confident36 Ų3643.5 Ų43.537%0.37122%0.215SC..THydrogen-bonded Turntrans66.88.7177.900000115.4R7R7-G131 PolarHBondContact O-N 3Å
132R88.1Confident89.1Confident105 Ų10539.9 Ų39.940%0.39619%0.193SC..  trans-117.1140.8177.6-61.5-170-179.2-167.90.9110.7Y126 N130Y126-R132 HydrophobicContact CD1-CB 4.07Å; Y126-R132 HydrophobicContact CD1-CG 4.5Å; Y126-R132 VanDerWaalsContact CE2-NH1 3.32Å; Y126-R132 VanDerWaalsContact CZ-NH1 3.28Å; Y126-R132 PolarHBondContact OH-NH1 3.32Å; N130-R132 PolarHBondContact O-N 2.72Å; N130-R132 VanDerWaalsContact O-N 3.14Å
133R90.4Very high88.8Confident123 Ų12338.9 Ų38.946%0.46419%0.187SC..PPolyproline II helixtrans-90.9149.4168.767.5171.8-17875.90.2110.4D87D87-R133 IonicContact OD1-CZ 3.75Å; D87-R133 IonicContact OD1-NH1 3.69Å; D87-R133 IonicContact OD1-NH2 2.71Å; D87-R133 PolarHBondContact OD1-NH2 2.76Å; D87-R133 IonicContact OD2-CZ 2.81Å; D87-R133 IonicContact OD2-NH1 3.9Å; D87-R133 PolarHBondContact OD2-NH1 3.42Å; D87-R133 IonicContact OD2-NH2 3.55Å; D87-R133 PolarHBondContact OD2-NH2 3.42Å
134P90.3Very high88.5Confident6 Ų638.9 Ų38.94%0.03919%0.187CC..PPolyproline II helixtrans-55.5153169.2-25.235000112.4T10 Q20 V21 A24 T127T10-P134 HydrophobicContact CG2-CG 3.85Å; Q20-P134 HydrophobicContact CB-CG 4.05Å; V21-P134 HydrophobicContact CG2-CG 4.34Å; A24-P134 HydrophobicContact CB-CB 4.37Å; T127-P134 HydrophobicContact CG2-CB 4Å; T127-P134 HydrophobicContact CG2-CG 4.05Å
135F87.6Confident87.9Confident10 Ų1035.1 Ų35.14%0.04417%0.17CC..PPolyproline II helixtrans-72.5128.7170.5-69.8-77.3000110.1D87 V90 V91 L122 K123 Y126 I137 P157D87-F135 HydrophobicContact CB-CD1 3.99Å; V90-F135 HydrophobicContact CG1-CE1 4.39Å; V91-F135 HydrophobicContact CG2-CD1 3.9Å; V91-F135 HydrophobicContact CG2-CD2 4.36Å; V91-F135 HydrophobicContact CG2-CE1 3.77Å; V91-F135 HydrophobicContact CG2-CE2 4.24Å; V91-F135 HydrophobicContact CG2-CG 4.18Å; V91-F135 HydrophobicContact CG2-CZ 3.94Å; L122-F135 HydrophobicContact CG-CE2 4.43Å; K123-F135 HydrophobicContact CB-CD2 4.47Å; K123-F135 HydrophobicContact CG-CB 4.48Å; K123-F135 HydrophobicContact CG-CD2 4.08Å; Y126-F135 HydrophobicContact CD1-CD2 4.26Å; Y126-F135 AromaticContact CD1-CE2 3.65Å; Y126-F135 HydrophobicContact CD1-CE2 3.65Å; Y126-F135 AromaticContact CD1-CZ 3.82Å; Y126-F135 HydrophobicContact CD1-CZ 3.82Å; Y126-F135 HydrophobicContact CD2-CD2 4.41Å; Y126-F135 AromaticContact CD2-CE2 3.47Å; Y126-F135 HydrophobicContact CD2-CE2 3.47Å; Y126-F135 VanDerWaalsContact CD2-CE2 3.47Å; Y126-F135 HydrophobicContact CD2-CZ 4.03Å; Y126-F135 HydrophobicContact CE1-CE1 4.39Å; Y126-F135 AromaticContact CE1-CE2 3.97Å; Y126-F135 HydrophobicContact CE1-CE2 3.97Å; Y126-F135 AromaticContact CE1-CZ 3.68Å; Y126-F135 HydrophobicContact CE1-CZ 3.68Å; Y126-F135 AromaticContact CE2-CE2 3.81Å; Y126-F135 HydrophobicContact CE2-CE2 3.81Å; Y126-F135 AromaticContact CE2-CZ 3.91Å; Y126-F135 HydrophobicContact CE2-CZ 3.91Å; Y126-F135 AromaticContact CG-CD2 3.98Å; Y126-F135 HydrophobicContact CG-CD2 3.98Å; Y126-F135 AromaticContact CG-CE2 3.38Å; Y126-F135 HydrophobicContact CG-CE2 3.38Å; Y126-F135 AromaticContact CG-CZ 3.99Å; Y126-F135 HydrophobicContact CG-CZ 3.99Å; Y126-F135 AromaticContact CZ-CZ 3.72Å; F135-I137 HydrophobicContact CB-CD1 4.38Å; F135-I137 HydrophobicContact CB-CG1 4.16Å; F135-I137 PolarHBondContact O-N 2.89Å; F135-I137 VanDerWaalsContact O-N 3.07Å; F135-P157 WeakPolarHBondContact O-CB 3.39Å
136G85.4Confident87.3Confident4 Ų436.3 Ų36.34%0.04118%0.182CC..  trans-85.244.6178.900000113.1G83 L84 D87G83-G136 VanDerWaalsContact CA-O 3.32Å; G83-G136 WeakPolarHBondContact CA-O 3.42Å; L84-G136 PolarHBondContact N-O 3.49Å; D87-G136 PolarHBondContact OD2-N 2.91Å; D87-G136 VanDerWaalsContact OD2-N 3.17Å
137I86.1Confident86.9Confident0 Ų038.1 Ų38.10%020%0.195CC..EExtended strand (participates in β ladder)trans-137.6136.3-17472.1-167.7000112.6F81 I82 D87 A88 V91 K123 F135F81-I137 HydrophobicContact CD1-CB 4.04Å; F81-I137 HydrophobicContact CD1-CD1 3.38Å; F81-I137 HydrophobicContact CD1-CG1 3.82Å; F81-I137 HydrophobicContact CE1-CD1 3.52Å; F81-I137 HydrophobicContact CE1-CG1 4.22Å; F81-I137 HydrophobicContact CG-CD1 4.42Å; I82-I137 WeakPolarHBondContact O-CA 3.36Å; D87-I137 HydrophobicContact CB-CD1 4.46Å; D87-I137 HydrophobicContact CB-CG2 3.83Å; A88-I137 HydrophobicContact CB-CD1 4.48Å; A88-I137 HydrophobicContact CB-CG2 4.49Å; V91-I137 HydrophobicContact CB-CD1 4.07Å; V91-I137 HydrophobicContact CG2-CD1 3.71Å; K123-I137 PolarHBondContact NZ-O 3.2Å; F135-I137 HydrophobicContact CB-CD1 4.38Å; F135-I137 HydrophobicContact CB-CG1 4.16Å; F135-I137 PolarHBondContact O-N 2.89Å; F135-I137 VanDerWaalsContact O-N 3.07Å
138S86.5Confident86.4Confident4 Ų437.9 Ų37.93%0.02820%0.195CC..EExtended strand (participates in β ladder)trans-102.5152.5159.1-63.60000109.2F81 I82 T155 D156 P157F81-S138 WeakPolarHBondContact CA-O 3Å; I82-S138 PolarHBondContact N-O 3.35Å; I82-S138 PolarHBondContact O-N 2.93Å; S138-T155 VanDerWaalsContact CA-O 3.28Å; S138-T155 WeakPolarHBondContact CA-O 3.32Å; S138-T155 WeakPolarHBondContact CB-O 3.2Å; S138-D156 PolarHBondContact OG-OD1 2.89Å; S138-D156 VanDerWaalsContact OG-OD1 3.12Å; S138-P157 VanDerWaalsContact OG-CD 3.31Å; S138-P157 WeakPolarHBondContact OG-CD 3.2Å
139A86.4Confident86.2Confident0 Ų035.4 Ų35.40%019%0.185CC..EExtended strand (participates in β ladder)trans-134.8127.1-175.200000110.4T79 I80 F81 Q154 T155T79-A139 HydrophobicContact CG2-CB 3.18Å; I80-A139 VanDerWaalsContact O-CA 3.32Å; I80-A139 WeakPolarHBondContact O-CA 3.33Å; F81-A139 HydrophobicContact CD1-CB 3.92Å; F81-A139 HydrophobicContact CE1-CB 3.77Å; F81-A139 HydrophobicContact CZ-CB 4.46Å; A139-Q154 CarbonylContact O-C 3.59Å; A139-Q154 VanDerWaalsContact O-CA 3.29Å; A139-Q154 WeakPolarHBondContact O-CA 3.27Å; A139-T155 VanDerWaalsContact CB-OG1 3.32Å; A139-T155 WeakPolarHBondContact CB-OG1 3.45Å; A139-T155 PolarHBondContact N-O 3.19Å; A139-T155 PolarHBondContact O-N 3.38Å
140L89.1Confident86.2Confident0 Ų034.3 Ų34.30%018%0.177CC..EExtended strand (participates in β ladder)trans-87.5125.5160.4-63.7-179.4000107.4L45 T79 I80 L152 Y153 Q154 N167 I169L45-L140 HydrophobicContact CD2-CB 4.46Å; L45-L140 HydrophobicContact CD2-CD1 4.34Å; T79-L140 WeakPolarHBondContact CA-O 3.15Å; I80-L140 HydrophobicContact CD1-CD1 4.35Å; I80-L140 PolarHBondContact N-O 2.66Å; I80-L140 PolarHBondContact O-N 2.96Å; L140-L152 HydrophobicContact CB-CD1 4.29Å; L140-L152 HydrophobicContact CD2-CD1 4.38Å; L140-Y153 CarbonylContact C-O 3.58Å; L140-Y153 WeakPolarHBondContact CA-O 3.48Å; L140-Q154 HydrophobicContact CD2-CB 3.71Å; L140-Q154 HydrophobicContact CD2-CG 3.85Å; L140-N167 HydrophobicContact CD2-CB 4.22Å; L140-I169 HydrophobicContact CD1-CD1 4.34Å; L140-I169 HydrophobicContact CD1-CG1 3.89Å; L140-I169 HydrophobicContact CD2-CD1 4.34Å; L140-I169 HydrophobicContact CD2-CG1 4.13Å; L140-I169 HydrophobicContact CD2-CG2 4.11Å; L140-I169 HydrophobicContact CG-CD1 3.7Å; L140-I169 HydrophobicContact CG-CG1 3.68Å
141I88.2Confident86.3Confident0 Ų032.3 Ų32.30%016%0.162CC..EExtended strand (participates in β ladder)trans-116.5123.3179-70.9163.3000106.4V77 T79 V112 T116 I119 L152 Y153 T155V77-I141 HydrophobicContact CB-CG2 4.17Å; V77-I141 HydrophobicContact CG1-CB 4.02Å; V77-I141 HydrophobicContact CG1-CG1 3.87Å; V77-I141 HydrophobicContact CG1-CG2 3.39Å; V77-I141 HydrophobicContact CG2-CG2 3.94Å; T79-I141 HydrophobicContact CG2-CG1 4.18Å; V112-I141 HydrophobicContact CG1-CG2 3.66Å; T116-I141 HydrophobicContact CG2-CD1 4.13Å; T116-I141 VanDerWaalsContact OG1-CG2 3.24Å; T116-I141 WeakPolarHBondContact OG1-CG2 3.4Å; I119-I141 HydrophobicContact CD1-CD1 3.65Å; I141-L152 CarbonylContact O-C 3.56Å; I141-Y153 PolarHBondContact N-O 3.17Å; I141-Y153 PolarHBondContact O-N 3.15Å; I141-T155 HydrophobicContact CD1-CG2 3.88Å
142V88.3Confident86.5Confident0 Ų030.7 Ų30.70%015%0.145CC..EExtended strand (participates in β ladder)trans-120.6179.2179.2-64.20000111.2V43 L45 A76 V77 L78 R151 L152 I219V43-V142 HydrophobicContact CB-CB 4.32Å; V43-V142 HydrophobicContact CG1-CB 3.55Å; V43-V142 HydrophobicContact CG1-CG1 3.43Å; V43-V142 VanDerWaalsContact CG1-CG1 3.43Å; V43-V142 HydrophobicContact CG1-CG2 4.12Å; L45-V142 HydrophobicContact CD1-CG1 4.27Å; L45-V142 HydrophobicContact CD1-CG2 3.69Å; L45-V142 HydrophobicContact CD2-CG1 3.76Å; L45-V142 HydrophobicContact CD2-CG2 4.48Å; L45-V142 HydrophobicContact CG-CG1 4.06Å; L45-V142 HydrophobicContact CG-CG2 3.87Å; A76-V142 CarbonylContact C-O 3.55Å; A76-V142 VanDerWaalsContact C-O 3.23Å; A76-V142 CarbonylContact O-C 3.53Å; V77-V142 WeakPolarHBondContact CA-O 3.06Å; V77-V142 PolarHBondContact N-O 2.95Å; L78-V142 HydrophobicContact CB-CG2 3.57Å; V142-R151 CarbonylContact C-O 3.54Å; V142-R151 VanDerWaalsContact CA-O 3.24Å; V142-R151 WeakPolarHBondContact CA-O 3.22Å; V142-L152 HydrophobicContact CG1-CB 4.15Å; V142-L152 HydrophobicContact CG1-CD1 3.3Å; V142-L152 HydrophobicContact CG1-CG 4.29Å; V142-I219 HydrophobicContact CG2-CD1 3.58Å
143G86.4Confident86.7Confident0 Ų026.8 Ų26.80%013%0.131CC..EExtended strand (participates in β ladder)trans150.8-167.5174.800000108.3A74 P150 R151A74-G143 CarbonylContact O-C 3.53Å; G143-P150 CarbonylContact O-C 3.6Å; G143-P150 WeakPolarHBondContact O-CA 3.36Å; G143-R151 PolarHBondContact N-O 3.1Å; G143-R151 VanDerWaalsContact N-O 3.13Å; G143-R151 PolarHBondContact O-N 2.85Å
144F85.6Confident86.7Confident0 Ų021.4 Ų21.40%011%0.111CC..EExtended strand (participates in β ladder)trans-131.3164165.3-43.1-127000106.1N41 V43 A74 F75 G148 I149 P150 I219 R221N41-F144 WeakPolarHBondContact O-CZ 3.48Å; V43-F144 HydrophobicContact CG2-CE2 4.15Å; V43-F144 HydrophobicContact CG2-CZ 4.3Å; A74-F144 CarbonylContact C-O 3.04Å; A74-F144 WeakPolarHBondContact CA-O 3.07Å; A74-F144 VanDerWaalsContact CB-C 3.44Å; A74-F144 HydrophobicContact CB-CB 3.67Å; A74-F144 WeakPolarHBondContact CB-O 3.34Å; A74-F144 WeakPolarHBondContact O-CA 3.34Å; A74-F144 WeakPolarHBondContact O-CD2 2.95Å; A74-F144 PolarHBondContact O-N 3.2Å; A74-F144 VanDerWaalsContact O-O 3.09Å; F75-F144 WeakPolarHBondContact CD1-O 3.42Å; F75-F144 WeakPolarHBondContact CE1-O 3.44Å; F75-F144 WeakPolarHBondContact CG-O 3.48Å; F75-F144 PolarHBondContact N-O 2.99Å; F144-G148 WeakPolarHBondContact CD1-O 3.5Å; F144-I149 VanDerWaalsContact CA-O 3.31Å; F144-I149 WeakPolarHBondContact CA-O 3.14Å; F144-I149 WeakPolarHBondContact CB-O 3.09Å; F144-P150 HydrophobicContact CD1-CB 3.75Å; F144-P150 HydrophobicContact CD1-CG 4.26Å; F144-P150 HydrophobicContact CE1-CB 3.62Å; F144-P150 HydrophobicContact CE1-CG 3.99Å; F144-P150 HydrophobicContact CG-CB 4.26Å; F144-P150 HydrophobicContact CZ-CB 4.01Å; F144-I219 HydrophobicContact CD2-CG2 4.02Å; F144-I219 HydrophobicContact CE2-CB 4.21Å; F144-I219 HydrophobicContact CE2-CG2 3.69Å; F144-I219 WeakPolarHBondContact CE2-O 3.39Å; F144-R221 HydrophobicContact CD1-CB 4.34Å; F144-R221 HydrophobicContact CE1-CB 4.06Å; F144-R221 HydrophobicContact CZ-CB 4.49Å
145D83.3Confident86.7Confident4 Ų421.1 Ų21.12%0.02111%0.109CC..  trans-107.3-178.6170.2-61.9-111.7000111.8A74 F75 T111 V112 D147 G148 I149 R151A74-D145 VanDerWaalsContact CB-C 3.49Å; A74-D145 WeakPolarHBondContact CB-O 3.17Å; F75-D145 HydrophobicContact CE1-CB 3.9Å; F75-D145 WeakPolarHBondContact CE1-OD1 3.48Å; F75-D145 HydrophobicContact CZ-CB 3.68Å; F75-D145 WeakPolarHBondContact CZ-OD1 3.24Å; T111-D145 WeakPolarHBondContact CA-OD1 2.95Å; T111-D145 WeakPolarHBondContact CB-OD1 3.4Å; T111-D145 WeakPolarHBondContact CG2-OD1 3.44Å; V112-D145 WeakPolarHBondContact CG2-OD2 3.44Å; V112-D145 PolarHBondContact N-OD1 3.46Å; D145-D147 WeakPolarHBondContact CB-OD1 3.33Å; D145-D147 PolarHBondContact O-N 3.48Å; D145-D147 VanDerWaalsContact O-N 3.14Å; D145-G148 WeakPolarHBondContact O-CA 3.24Å; D145-G148 PolarHBondContact O-N 2.8Å; D145-I149 PolarHBondContact N-O 3.24Å; D145-R151 IonicContact OD1-CZ 2.9Å; D145-R151 IonicContact OD1-NH1 3.5Å; D145-R151 PolarHBondContact OD1-NH1 3.34Å; D145-R151 WeakPolarHBondContact OD2-CD 3.37Å; D145-R151 WeakPolarHBondContact OD2-CG 3.26Å; D145-R151 IonicContact OD2-CZ 2.74Å; D145-R151 IonicContact OD2-NE 2.93Å; D145-R151 PolarHBondContact OD2-NE 3.15Å; D145-R151 IonicContact OD2-NH1 2.94Å; D145-R151 PolarHBondContact OD2-NH1 3.22Å; D145-R151 IonicContact OD2-NH2 3.07Å
146D80.1Confident86.8Confident154 Ų15422.3 Ų22.382%0.82412%0.116SC*.THydrogen-bonded Turntrans-57.6-28-178.2-170.952.9000112.8G148D146-G148 PolarHBondContact O-N 3.15Å; D146-G148 VanDerWaalsContact O-N 3.08Å
147D82.9Confident86.9Confident74 Ų7422.1 Ų22.140%0.39611%0.114SC..THydrogen-bonded Turntrans-62.3-13.2170.862.2-0.8000113.7D145 I149 R151D145-D147 WeakPolarHBondContact CB-OD1 3.33Å; D145-D147 PolarHBondContact O-N 3.48Å; D145-D147 VanDerWaalsContact O-N 3.14Å; D147-I149 HydrophobicContact CB-CD1 4.41Å; D147-I149 HydrophobicContact CB-CG1 4.23Å; D147-I149 PolarHBondContact O-N 2.88Å; D147-I149 PolarHBondContact OD1-N 2.92Å; D147-I149 WeakPolarHBondContact OD2-CD1 3.27Å; D147-R151 IonicContact OD1-NH2 3.2Å; D147-R151 IonicContact OD2-CZ 3.8Å; D147-R151 IonicContact OD2-NH2 2.73Å; D147-R151 PolarHBondContact OD2-NH2 3.17Å
148G80.8Confident87.1Confident7 Ų723.7 Ų23.77%0.07212%0.124CC..  trans73.413.5-177.300000113.4F144 D145 D146F144-G148 WeakPolarHBondContact CD1-O 3.5Å; D145-G148 WeakPolarHBondContact O-CA 3.24Å; D145-G148 PolarHBondContact O-N 2.8Å; D146-G148 PolarHBondContact O-N 3.15Å; D146-G148 VanDerWaalsContact O-N 3.08Å
149I85.4Confident87.3Confident88 Ų8824.1 Ų24.145%0.45113%0.13SC..  trans-88.6125.5179-59.3-179.9000108.5F144 D145 D147F144-I149 VanDerWaalsContact CA-O 3.31Å; F144-I149 WeakPolarHBondContact CA-O 3.14Å; F144-I149 WeakPolarHBondContact CB-O 3.09Å; D145-I149 PolarHBondContact N-O 3.24Å; D147-I149 HydrophobicContact CB-CD1 4.41Å; D147-I149 HydrophobicContact CB-CG1 4.23Å; D147-I149 PolarHBondContact O-N 2.88Å; D147-I149 PolarHBondContact OD1-N 2.92Å; D147-I149 WeakPolarHBondContact OD2-CD1 3.27Å
150P87.8Confident87.6Confident8 Ų827.1 Ų27.15%0.05215%0.148CC..EExtended strand (participates in β ladder)trans-67.4138.5175.624.3-29.5000111.2R38 G39 V43 G143 F144R38-P150 WeakPolarHBondContact CD-O 3.36Å; R38-P150 HydrophobicContact CG-CB 3.85Å; R38-P150 HydrophobicContact CG-CG 3.71Å; R38-P150 PolarHBondContact NH1-O 2.89Å; G39-P150 VanDerWaalsContact O-CG 3.24Å; G39-P150 WeakPolarHBondContact O-CG 3.36Å; V43-P150 HydrophobicContact CG2-CB 3.29Å; G143-P150 CarbonylContact O-C 3.6Å; G143-P150 WeakPolarHBondContact O-CA 3.36Å; F144-P150 HydrophobicContact CD1-CB 3.75Å; F144-P150 HydrophobicContact CD1-CG 4.26Å; F144-P150 HydrophobicContact CE1-CB 3.62Å; F144-P150 HydrophobicContact CE1-CG 3.99Å; F144-P150 HydrophobicContact CG-CB 4.26Å; F144-P150 HydrophobicContact CZ-CB 4.01Å
151R88.4Confident87.8Confident55 Ų5530 Ų3021%0.20816%0.16CC..EExtended strand (participates in β ladder)trans-125.2141.4178.7-54-158.4-173.6145.4-3.2110.1V112 V142 G143 D145 D147 Y153V112-R151 HydrophobicContact CB-CB 4.23Å; V112-R151 HydrophobicContact CG1-CB 4.25Å; V112-R151 HydrophobicContact CG2-CB 4.44Å; V142-R151 CarbonylContact C-O 3.54Å; V142-R151 VanDerWaalsContact CA-O 3.24Å; V142-R151 WeakPolarHBondContact CA-O 3.22Å; G143-R151 PolarHBondContact N-O 3.1Å; G143-R151 VanDerWaalsContact N-O 3.13Å; G143-R151 PolarHBondContact O-N 2.85Å; D145-R151 IonicContact OD1-CZ 2.9Å; D145-R151 IonicContact OD1-NH1 3.5Å; D145-R151 PolarHBondContact OD1-NH1 3.34Å; D145-R151 WeakPolarHBondContact OD2-CD 3.37Å; D145-R151 WeakPolarHBondContact OD2-CG 3.26Å; D145-R151 IonicContact OD2-CZ 2.74Å; D145-R151 IonicContact OD2-NE 2.93Å; D145-R151 PolarHBondContact OD2-NE 3.15Å; D145-R151 IonicContact OD2-NH1 2.94Å; D145-R151 PolarHBondContact OD2-NH1 3.22Å; D145-R151 IonicContact OD2-NH2 3.07Å; D147-R151 IonicContact OD1-NH2 3.2Å; D147-R151 IonicContact OD2-CZ 3.8Å; D147-R151 IonicContact OD2-NH2 2.73Å; D147-R151 PolarHBondContact OD2-NH2 3.17Å; R151-Y153 HydrophobicContact CB-CD2 4.28Å; R151-Y153 HydrophobicContact CB-CE2 3.92Å
152L90.1Very high88.1Confident2 Ų234.8 Ų34.81%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-132.7118175.1166.167.6000107G36 L140 I141 V142 A163 W164 N167G36-L152 WeakPolarHBondContact O-CD2 3.26Å; L140-L152 HydrophobicContact CB-CD1 4.29Å; L140-L152 HydrophobicContact CD2-CD1 4.38Å; I141-L152 CarbonylContact O-C 3.56Å; V142-L152 HydrophobicContact CG1-CB 4.15Å; V142-L152 HydrophobicContact CG1-CD1 3.3Å; V142-L152 HydrophobicContact CG1-CG 4.29Å; L152-A163 CarbonylContact O-C 3.54Å; L152-A163 WeakPolarHBondContact O-CA 3.38Å; L152-W164 WeakPolarHBondContact CB-O 3.42Å; L152-W164 HydrophobicContact CD2-CB 4.04Å; L152-W164 HydrophobicContact CG-CB 4.16Å; L152-W164 PolarHBondContact O-N 3.3Å; L152-N167 HydrophobicContact CD2-CB 4.35Å
153Y91.9Very high88.4Confident24 Ų2437.9 Ų37.99%0.09421%0.207CC..EExtended strand (participates in β ladder)trans-116.8155.8175.2-75.1-90.3000110.2V112 E113 T116 L140 I141 R151 Y161 H162 A163V112-Y153 HydrophobicContact CG1-CD2 3.8Å; V112-Y153 HydrophobicContact CG1-CE2 4.26Å; E113-Y153 HydrophobicContact CB-CE2 4.24Å; E113-Y153 HydrophobicContact CG-CE1 4.14Å; T116-Y153 HydrophobicContact CG2-CD1 4.09Å; T116-Y153 HydrophobicContact CG2-CG 4.01Å; L140-Y153 CarbonylContact C-O 3.58Å; L140-Y153 WeakPolarHBondContact CA-O 3.48Å; I141-Y153 PolarHBondContact N-O 3.17Å; I141-Y153 PolarHBondContact O-N 3.15Å; R151-Y153 HydrophobicContact CB-CD2 4.28Å; R151-Y153 HydrophobicContact CB-CE2 3.92Å; Y153-Y161 AromaticContact CD1-CD2 3.8Å; Y153-Y161 HydrophobicContact CD1-CD2 3.8Å; Y153-Y161 HydrophobicContact CD1-CE2 4.23Å; Y153-Y161 HydrophobicContact CE1-CD2 4.07Å; Y153-Y161 HydrophobicContact CE1-CE2 4.03Å; Y153-H162 CarbonylContact C-O 3.16Å; Y153-H162 VanDerWaalsContact CA-O 3.3Å; Y153-H162 WeakPolarHBondContact CA-O 3.39Å; Y153-A163 HydrophobicContact CD1-CB 3.99Å; Y153-A163 HydrophobicContact CE1-CB 3.63Å
154Q90.9Very high88.8Confident10 Ų1042.2 Ų42.25%0.04722%0.224CC..EExtended strand (participates in β ladder)trans-130.5137.4172.4173.4-90.6-34.300108.9A139 L140 D156 Y161 H162 N167 I169A139-Q154 CarbonylContact O-C 3.59Å; A139-Q154 VanDerWaalsContact O-CA 3.29Å; A139-Q154 WeakPolarHBondContact O-CA 3.27Å; L140-Q154 HydrophobicContact CD2-CB 3.71Å; L140-Q154 HydrophobicContact CD2-CG 3.85Å; Q154-D156 PolarHBondContact NE2-OD1 3.34Å; Q154-D156 PolarHBondContact NE2-OD2 3.43Å; Q154-Y161 CarbonylContact O-C 3.59Å; Q154-Y161 WeakPolarHBondContact O-CA 3.31Å; Q154-H162 PolarHBondContact N-O 3.13Å; Q154-H162 PolarHBondContact O-N 3.33Å; Q154-N167 WeakPolarHBondContact CB-ND2 3.39Å; Q154-I169 HydrophobicContact CG-CG2 4Å
155T89.4Confident89.1Confident0 Ų048.5 Ų48.50%025%0.251CS..EExtended strand (participates in β ladder)trans-118.9142.6175.964.50000110.7T116 I119 K123 S138 A139 I141 T160T116-T155 HydrophobicContact CG2-CG2 3.58Å; I119-T155 HydrophobicContact CG2-CG2 4.46Å; K123-T155 PolarHBondContact NZ-OG1 3.07Å; S138-T155 VanDerWaalsContact CA-O 3.28Å; S138-T155 WeakPolarHBondContact CA-O 3.32Å; S138-T155 WeakPolarHBondContact CB-O 3.2Å; A139-T155 VanDerWaalsContact CB-OG1 3.32Å; A139-T155 WeakPolarHBondContact CB-OG1 3.45Å; A139-T155 PolarHBondContact N-O 3.19Å; A139-T155 PolarHBondContact O-N 3.38Å; I141-T155 HydrophobicContact CD1-CG2 3.88Å; T155-T160 WeakPolarHBondContact CA-O 3.31Å
156D89.1Confident89.6Confident35 Ų3549.1 Ų49.119%0.18726%0.256CS..  trans-107.8161.1178.5-79.3-47.9000113.4K123 S138 Q154 S158 G159 T160K123-D156 WeakPolarHBondContact CD-O 3.3Å; S138-D156 PolarHBondContact OG-OD1 2.89Å; S138-D156 VanDerWaalsContact OG-OD1 3.12Å; Q154-D156 PolarHBondContact NE2-OD1 3.34Å; Q154-D156 PolarHBondContact NE2-OD2 3.43Å; D156-S158 WeakPolarHBondContact CB-OG 3.34Å; D156-S158 PolarHBondContact O-N 3.47Å; D156-S158 VanDerWaalsContact O-N 3.15Å; D156-G159 PolarHBondContact O-N 2.84Å; D156-T160 PolarHBondContact N-O 2.8Å
157P88.3Confident90.2Very high0 Ų042.1 Ų42.10%022%0.219CC..THydrogen-bonded Turntrans-52.6-27.3171.5-31.136.8000114.7A24 Q25 V28 F135 S138 G159A24-P157 HydrophobicContact CB-CB 3.78Å; A24-P157 HydrophobicContact CB-CG 4.26Å; Q25-P157 HydrophobicContact CG-CB 4.41Å; Q25-P157 HydrophobicContact CG-CG 4.15Å; V28-P157 HydrophobicContact CG2-CG 3.92Å; F135-P157 WeakPolarHBondContact O-CB 3.39Å; S138-P157 VanDerWaalsContact OG-CD 3.31Å; S138-P157 WeakPolarHBondContact OG-CD 3.2Å; P157-G159 PolarHBondContact O-N 2.82Å
158S90.2Very high90.6Very high32 Ų3238.9 Ų38.922%0.22420%0.203CC..THydrogen-bonded Turntrans-64.7-20175.149.90000113.4D156 T160D156-S158 WeakPolarHBondContact CB-OG 3.34Å; D156-S158 PolarHBondContact O-N 3.47Å; D156-S158 VanDerWaalsContact O-N 3.15Å; S158-T160 PolarHBondContact OG-N 2.89Å; S158-T160 PolarHBondContact OG-OG1 3.47Å
159G90.4Very high91Very high13 Ų1339.1 Ų39.113%0.13420%0.202CC..SBendtrans84.616.4-170.900000113.9A120 D156 P157A120-G159 WeakPolarHBondContact CB-O 3.23Å; A120-G159 VanDerWaalsContact O-CA 3.29Å; A120-G159 WeakPolarHBondContact O-CA 3.34Å; D156-G159 PolarHBondContact O-N 2.84Å; P157-G159 PolarHBondContact O-N 2.82Å
160T93.4Very high91.1Very high64 Ų6435.4 Ų35.439%0.39319%0.185SC..  trans-88.5153.9168.152.60000110.9T155 D156 S158T155-T160 WeakPolarHBondContact CA-O 3.31Å; D156-T160 PolarHBondContact N-O 2.8Å; S158-T160 PolarHBondContact OG-N 2.89Å; S158-T160 PolarHBondContact OG-OG1 3.47Å
161Y94Very high90.9Very high61 Ų6139.6 Ų39.624%0.23920%0.2CC..EExtended strand (participates in β ladder)trans-141.9147.2174.176.4-88.9000112.2E113 T116 R117 A120 Y153 Q154E113-Y161 HydrophobicContact CG-CE2 4.11Å; E113-Y161 PolarHBondContact OE1-OH 3.32Å; T116-Y161 HydrophobicContact CG2-CD2 3.57Å; T116-Y161 HydrophobicContact CG2-CE2 4.36Å; T116-Y161 HydrophobicContact CG2-CG 3.7Å; R117-Y161 HydrophobicContact CB-CE1 4Å; R117-Y161 HydrophobicContact CG-CE1 3.96Å; R117-Y161 PolarHBondContact NE-OH 3.41Å; R117-Y161 VanDerWaalsContact NE-OH 3.14Å; A120-Y161 HydrophobicContact CB-CD1 3.71Å; A120-Y161 HydrophobicContact CB-CG 4.34Å; Y153-Y161 AromaticContact CD1-CD2 3.8Å; Y153-Y161 HydrophobicContact CD1-CD2 3.8Å; Y153-Y161 HydrophobicContact CD1-CE2 4.23Å; Y153-Y161 HydrophobicContact CE1-CD2 4.07Å; Y153-Y161 HydrophobicContact CE1-CE2 4.03Å; Q154-Y161 CarbonylContact O-C 3.59Å; Q154-Y161 WeakPolarHBondContact O-CA 3.31Å
162H94.6Very high90.8Very high99 Ų9939.9 Ų39.946%0.45821%0.211SC..EExtended strand (participates in β ladder)trans-141.2149.2-179.5-58.5-68000111.1Y153 Q154 W164Y153-H162 CarbonylContact C-O 3.16Å; Y153-H162 VanDerWaalsContact CA-O 3.3Å; Y153-H162 WeakPolarHBondContact CA-O 3.39Å; Q154-H162 PolarHBondContact N-O 3.13Å; Q154-H162 PolarHBondContact O-N 3.33Å; H162-W164 VanDerWaalsContact O-CD1 3.23Å
163A94.1Very high90.7Very high66 Ų6640.8 Ų40.855%0.54522%0.218SC..EExtended strand (participates in β ladder)trans-86.3143.2172.900000110.7L152 Y153L152-A163 CarbonylContact O-C 3.54Å; L152-A163 WeakPolarHBondContact O-CA 3.38Å; Y153-A163 HydrophobicContact CD1-CB 3.99Å; Y153-A163 HydrophobicContact CE1-CB 3.63Å
164W93.4Very high90.8Very high90 Ų9046.1 Ų46.134%0.34124%0.242SC..  trans-136.3152.2-175.9-66.187.4000111.8L152 H162 N167L152-W164 WeakPolarHBondContact CB-O 3.42Å; L152-W164 HydrophobicContact CD2-CB 4.04Å; L152-W164 HydrophobicContact CG-CB 4.16Å; L152-W164 PolarHBondContact O-N 3.3Å; H162-W164 VanDerWaalsContact O-CD1 3.23Å; W164-N167 HydrophobicContact CB-CB 3.85Å; W164-N167 HydrophobicContact CD2-CB 3.96Å; W164-N167 VanDerWaalsContact CE2-ND2 3.34Å; W164-N167 HydrophobicContact CE3-CB 4.25Å; W164-N167 HydrophobicContact CG-CB 3.76Å; W164-N167 PolarHBondContact NE1-ND2 2.89Å
165K93.2Very high90.9Very high133 Ų13349 Ų4958%0.57826%0.26SS*.SBendtrans-83.9-47.4169-61.6-172180-179.60111.1R38 Y184R38-K165 WeakPolarHBondContact CB-O 3.41Å; R38-K165 PolarHBondContact N-O 2.89Å; K165-Y184 HydrophobicContact CB-CE1 3.76Å; K165-Y184 HydrophobicContact CD-CE1 4.01Å; K165-Y184 HydrophobicContact CG-CE1 4.49Å
166A93.5Very high91.1Very high16 Ų1649 Ų4913%0.13226%0.26CS..EExtended strand (participates in β ladder)trans-141.2145.7166.900000107.5G36 I37 L180 Y184G36-A166 CarbonylContact O-C 3.23Å; G36-A166 VanDerWaalsContact O-CA 3.26Å; G36-A166 WeakPolarHBondContact O-CA 3.24Å; I37-A166 HydrophobicContact CG1-CB 4.36Å; A166-L180 HydrophobicContact CB-CB 4.49Å; A166-L180 HydrophobicContact CB-CD1 4.18Å; A166-L180 HydrophobicContact CB-CD2 4.35Å; A166-Y184 HydrophobicContact CB-CD2 3.69Å; A166-Y184 HydrophobicContact CB-CE2 3.93Å; A166-Y184 HydrophobicContact CB-CG 4.37Å
167N93.3Very high91.3Very high8 Ų851.8 Ų51.84%0.04327%0.268CS..EExtended strand (participates in β ladder)trans-150.3157178.6-159.48.8000111.4V35 G36 L140 L152 Q154 W164V35-N167 WeakPolarHBondContact CA-O 3.32Å; G36-N167 PolarHBondContact N-O 3.25Å; G36-N167 PolarHBondContact O-N 2.94Å; L140-N167 HydrophobicContact CD2-CB 4.22Å; L152-N167 HydrophobicContact CD2-CB 4.35Å; Q154-N167 WeakPolarHBondContact CB-ND2 3.39Å; W164-N167 HydrophobicContact CB-CB 3.85Å; W164-N167 HydrophobicContact CD2-CB 3.96Å; W164-N167 VanDerWaalsContact CE2-ND2 3.34Å; W164-N167 HydrophobicContact CE3-CB 4.25Å; W164-N167 HydrophobicContact CG-CB 3.76Å; W164-N167 PolarHBondContact NE1-ND2 2.89Å
168A90.5Very high91.6Very high6 Ų655.6 Ų55.65%0.0529%0.286CS..EExtended strand (participates in β ladder)trans-132.6144.3173.900000110.4A34 V35 A173 V176A34-A168 CarbonylContact O-C 3.53Å; A34-A168 WeakPolarHBondContact O-CA 2.98Å; V35-A168 HydrophobicContact CG2-CB 4.2Å; A168-A173 HydrophobicContact CB-CB 4.41Å; A168-V176 HydrophobicContact CB-CB 3.8Å; A168-V176 HydrophobicContact CB-CG1 3.69Å
169I89.7Confident91.9Very high12 Ų1255.6 Ų55.66%0.06228%0.282CS..EExtended strand (participates in β ladder)trans-132.9162.1176.848.1156.4000110.3T33 A34 I82 L140 Q154T33-I169 WeakPolarHBondContact CA-O 3.24Å; A34-I169 HydrophobicContact CB-CG1 4.27Å; A34-I169 PolarHBondContact N-O 2.92Å; A34-I169 PolarHBondContact O-N 3.08Å; I82-I169 HydrophobicContact CB-CD1 4.31Å; I82-I169 HydrophobicContact CD1-CB 3.77Å; I82-I169 HydrophobicContact CD1-CD1 3.38Å; I82-I169 HydrophobicContact CD1-CG1 3.27Å; I82-I169 WeakPolarHBondContact CD1-O 3.34Å; I82-I169 HydrophobicContact CG1-CD1 3.77Å; I82-I169 HydrophobicContact CG1-CG1 4.22Å; L140-I169 HydrophobicContact CD1-CD1 4.34Å; L140-I169 HydrophobicContact CD1-CG1 3.89Å; L140-I169 HydrophobicContact CD2-CD1 4.34Å; L140-I169 HydrophobicContact CD2-CG1 4.13Å; L140-I169 HydrophobicContact CD2-CG2 4.11Å; L140-I169 HydrophobicContact CG-CD1 3.7Å; L140-I169 HydrophobicContact CG-CG1 3.68Å; Q154-I169 HydrophobicContact CG-CG2 4Å
170G86.4Confident92.1Very high9 Ų955.3 Ų55.39%0.09328%0.277CS..SBendtrans91.2-156.7-179.800000114.5A173G170-A173 WeakPolarHBondContact O-CB 3.3Å; G170-A173 PolarHBondContact O-N 3.26Å
171R83.7Confident92.1Very high97 Ų9758.3 Ų58.337%0.36629%0.287SS..THydrogen-bonded Turntrans-60.5142.5178.972.5-177.8-173.6159.63.3111K29 G31 T33 E48 A173K29-R171 WeakPolarHBondContact O-CA 3.46Å; K29-R171 WeakPolarHBondContact O-CB 3.32Å; K29-R171 PolarHBondContact O-N 3.37Å; G31-R171 VanDerWaalsContact O-CB 3.28Å; G31-R171 WeakPolarHBondContact O-CB 3.08Å; G31-R171 WeakPolarHBondContact O-CG 3.19Å; G31-R171 PolarHBondContact O-N 2.96Å; T33-R171 WeakPolarHBondContact OG1-CG 3.29Å; T33-R171 PolarHBondContact OG1-O 3.04Å; E48-R171 VanDerWaalsContact CD-NH2 3.26Å; E48-R171 IonicContact OE1-CZ 3.66Å; E48-R171 IonicContact OE1-NE 2.73Å; E48-R171 IonicContact OE1-NH2 2.68Å; E48-R171 PolarHBondContact OE1-NH2 3.08Å; E48-R171 IonicContact OE2-CZ 2.74Å; E48-R171 IonicContact OE2-NE 3.32Å; E48-R171 PolarHBondContact OE2-NE 3.47Å; E48-R171 IonicContact OE2-NH2 3.64Å; E48-R171 PolarHBondContact OE2-NH2 2.79Å; R171-A173 PolarHBondContact O-N 3.44Å
172S87.8Confident92.1Very high61 Ų6163.4 Ų63.443%0.42731%0.31SS..THydrogen-bonded Turntrans55.319.8178.4-50.50000115.1K174 T175 V176S172-K174 PolarHBondContact O-N 3.47Å; S172-K174 VanDerWaalsContact O-N 3.14Å; S172-T175 PolarHBondContact O-N 2.76Å; S172-T175 VanDerWaalsContact O-N 3.08Å; S172-V176 PolarHBondContact O-N 2.77Å
173A88.1Confident92Very high20 Ų2061.8 Ų61.817%0.16531%0.305CS..Hα-helixtrans-57.1-31.6179.700000112.9A168 G170 R171 V176 R177A168-A173 HydrophobicContact CB-CB 4.41Å; G170-A173 WeakPolarHBondContact O-CB 3.3Å; G170-A173 PolarHBondContact O-N 3.26Å; R171-A173 PolarHBondContact O-N 3.44Å; A173-V176 PolarHBondContact O-N 3.3Å; A173-R177 VanDerWaalsContact O-CB 3.28Å; A173-R177 WeakPolarHBondContact O-CB 3.37Å; A173-R177 PolarHBondContact O-N 3.16Å
174K92.3Very high91.9Very high137 Ų13760.9 Ų60.960%0.59629%0.288SS*.Hα-helixtrans-59.3-51.3174.9-175.5-179.3174.7-1750111.6S172 V176 R177 E178S172-K174 PolarHBondContact O-N 3.47Å; S172-K174 VanDerWaalsContact O-N 3.14Å; K174-V176 VanDerWaalsContact C-N 3.34Å; K174-V176 PolarHBondContact O-N 2.6Å; K174-R177 PolarHBondContact O-N 3Å; K174-E178 WeakPolarHBondContact CE-OE1 3.49Å; K174-E178 WeakPolarHBondContact O-CG 3.43Å; K174-E178 PolarHBondContact O-N 3.24Å
175T93.5Very high91.8Very high71 Ų7159.9 Ų59.944%0.43629%0.292SS..Hα-helixtrans-60.4-43.9179.2-50.10000111.5S172 R177 E178 F179S172-T175 PolarHBondContact O-N 2.76Å; S172-T175 VanDerWaalsContact O-N 3.08Å; T175-R177 VanDerWaalsContact C-N 3.34Å; T175-R177 PolarHBondContact O-N 3.24Å; T175-E178 PolarHBondContact O-N 3.47Å; T175-F179 PolarHBondContact O-N 3.47Å
176V93.1Very high91.3Very high0 Ų061.6 Ų61.60%030%0.302CS..Hα-helixtrans-66.9-37.9178.9-176.60000111.5T33 V35 A168 S172 A173 K174 F179 L180 A202 V206T33-V176 HydrophobicContact CG2-CG2 4.03Å; V35-V176 HydrophobicContact CG2-CG1 3.68Å; A168-V176 HydrophobicContact CB-CB 3.8Å; A168-V176 HydrophobicContact CB-CG1 3.69Å; S172-V176 PolarHBondContact O-N 2.77Å; A173-V176 PolarHBondContact O-N 3.3Å; K174-V176 VanDerWaalsContact C-N 3.34Å; K174-V176 PolarHBondContact O-N 2.6Å; V176-F179 WeakPolarHBondContact O-CB 3.32Å; V176-F179 PolarHBondContact O-N 3.28Å; V176-L180 HydrophobicContact CG1-CD1 4.04Å; V176-L180 HydrophobicContact CG1-CG 4.35Å; V176-L180 VanDerWaalsContact O-CG 3.3Å; V176-L180 WeakPolarHBondContact O-CG 3.49Å; V176-L180 PolarHBondContact O-N 3.43Å; V176-A202 HydrophobicContact CG1-CB 3.99Å; V176-V206 HydrophobicContact CG2-CG2 3.35Å
177R93.8Very high90.7Very high92 Ų9266.8 Ų66.835%0.34733%0.328SS..Hα-helixtrans-65.8-42.9177-176.616750.682.7-2.2111.8A173 K174 T175 F179 L180 E181A173-R177 VanDerWaalsContact O-CB 3.28Å; A173-R177 WeakPolarHBondContact O-CB 3.37Å; A173-R177 PolarHBondContact O-N 3.16Å; K174-R177 PolarHBondContact O-N 3Å; T175-R177 VanDerWaalsContact C-N 3.34Å; T175-R177 PolarHBondContact O-N 3.24Å; R177-F179 VanDerWaalsContact C-N 3.26Å; R177-F179 PolarHBondContact O-N 2.73Å; R177-L180 PolarHBondContact O-N 2.84Å; R177-L180 VanDerWaalsContact O-N 3.15Å; R177-E181 WeakPolarHBondContact CG-OE1 3.42Å; R177-E181 IonicContact NH1-OE1 3.78Å; R177-E181 PolarHBondContact NH1-OE1 3.41Å; R177-E181 WeakPolarHBondContact O-CG 3.28Å; R177-E181 PolarHBondContact O-N 3Å
178E95.5Very high90.1Very high81 Ų8167.3 Ų67.338%0.37933%0.333SS..Hα-helixtrans-61.2-34.7173.5-70.7170.2-169.100112.3K174 T175 K182K174-E178 WeakPolarHBondContact CE-OE1 3.49Å; K174-E178 WeakPolarHBondContact O-CG 3.43Å; K174-E178 PolarHBondContact O-N 3.24Å; T175-E178 PolarHBondContact O-N 3.47Å; E178-K182 WeakPolarHBondContact O-CG 3.44Å
179F95.3Very high89.8Confident32 Ų3268.2 Ų68.214%0.1434%0.337CS..Hα-helixtrans-66.7-46.8171.7174.6-88.4000111.7T175 V176 R177 E181 K182 N183 L198 K201 A202 E205T175-F179 PolarHBondContact O-N 3.47Å; V176-F179 WeakPolarHBondContact O-CB 3.32Å; V176-F179 PolarHBondContact O-N 3.28Å; R177-F179 VanDerWaalsContact C-N 3.26Å; R177-F179 PolarHBondContact O-N 2.73Å; F179-E181 PolarHBondContact O-N 3.16Å; F179-K182 PolarHBondContact O-N 2.89Å; F179-N183 VanDerWaalsContact CD2-ND2 3.34Å; F179-N183 WeakPolarHBondContact CD2-ND2 3.45Å; F179-N183 HydrophobicContact CE1-CB 4.17Å; F179-N183 WeakPolarHBondContact CE2-ND2 3.38Å; F179-N183 HydrophobicContact CZ-CB 4.26Å; F179-N183 WeakPolarHBondContact CZ-ND2 3.35Å; F179-N183 PolarHBondContact O-N 3.29Å; F179-N183 VanDerWaalsContact O-N 3.15Å; F179-N183 PolarHBondContact O-ND2 2.75Å; F179-L198 HydrophobicContact CE1-CD1 4.2Å; F179-K201 HydrophobicContact CE1-CB 4.24Å; F179-K201 HydrophobicContact CZ-CB 3.87Å; F179-A202 HydrophobicContact CD1-CB 3.82Å; F179-A202 HydrophobicContact CE1-CB 3.86Å; F179-E205 HydrophobicContact CB-CG 4.4Å; F179-E205 HydrophobicContact CD1-CG 4.49Å; F179-E205 HydrophobicContact CD2-CG 3.6Å; F179-E205 HydrophobicContact CE2-CG 3.95Å; F179-E205 HydrophobicContact CG-CG 3.91Å
180L94.4Very high89.4Confident6 Ų670.7 Ų70.73%0.03136%0.359CS..Hα-helixtrans-64.3-38.9179.8-71.1168000111.8V35 I37 A166 V176 R177 K182 N183 Y184 L198 A202V35-L180 HydrophobicContact CG1-CD1 4.02Å; I37-L180 HydrophobicContact CD1-CD2 3.68Å; I37-L180 HydrophobicContact CG1-CD2 4.25Å; A166-L180 HydrophobicContact CB-CB 4.49Å; A166-L180 HydrophobicContact CB-CD1 4.18Å; A166-L180 HydrophobicContact CB-CD2 4.35Å; V176-L180 HydrophobicContact CG1-CD1 4.04Å; V176-L180 HydrophobicContact CG1-CG 4.35Å; V176-L180 VanDerWaalsContact O-CG 3.3Å; V176-L180 WeakPolarHBondContact O-CG 3.49Å; V176-L180 PolarHBondContact O-N 3.43Å; R177-L180 PolarHBondContact O-N 2.84Å; R177-L180 VanDerWaalsContact O-N 3.15Å; L180-K182 PolarHBondContact O-N 2.9Å; L180-N183 PolarHBondContact O-N 2.91Å; L180-Y184 WeakPolarHBondContact O-CB 3.35Å; L180-Y184 PolarHBondContact O-N 2.81Å; L180-L198 HydrophobicContact CD2-CG 4.49Å; L180-A202 HydrophobicContact CD2-CB 3.9Å; L180-A202 HydrophobicContact CG-CB 4.35Å
181E94.3Very high89.6Confident128 Ų12872.6 Ų72.660%0.59837%0.371SS*.Hα-helixtrans-57.8-31.2176.3-76.1169.2-167.200112.5R177 F179R177-E181 WeakPolarHBondContact CG-OE1 3.42Å; R177-E181 IonicContact NH1-OE1 3.78Å; R177-E181 PolarHBondContact NH1-OE1 3.41Å; R177-E181 WeakPolarHBondContact O-CG 3.28Å; R177-E181 PolarHBondContact O-N 3Å; F179-E181 PolarHBondContact O-N 3.16Å
182K93.8Very high89.9Confident167 Ų16770 Ų7073%0.72636%0.364SS*.Hα-helixtrans-88-27.6179.2-65.8173.2-174.61730114E178 F179 L180E178-K182 WeakPolarHBondContact O-CG 3.44Å; F179-K182 PolarHBondContact O-N 2.89Å; L180-K182 PolarHBondContact O-N 2.9Å
183N92.6Very high90Very high65 Ų6570.9 Ų70.935%0.34836%0.364SS..Hα-helixtrans-112.7-8.7-169.1-65-75.9000114F179 L180 T185 A188 L198F179-N183 VanDerWaalsContact CD2-ND2 3.34Å; F179-N183 WeakPolarHBondContact CD2-ND2 3.45Å; F179-N183 HydrophobicContact CE1-CB 4.17Å; F179-N183 WeakPolarHBondContact CE2-ND2 3.38Å; F179-N183 HydrophobicContact CZ-CB 4.26Å; F179-N183 WeakPolarHBondContact CZ-ND2 3.35Å; F179-N183 PolarHBondContact O-N 3.29Å; F179-N183 VanDerWaalsContact O-N 3.15Å; F179-N183 PolarHBondContact O-ND2 2.75Å; L180-N183 PolarHBondContact O-N 2.91Å; N183-T185 PolarHBondContact O-N 2.89Å; N183-T185 VanDerWaalsContact O-N 3.1Å; N183-A188 WeakPolarHBondContact O-CB 3.47Å; N183-L198 HydrophobicContact CB-CD1 3.64Å
184Y91.9Very high90.1Very high47 Ų4774 Ų7418%0.18438%0.375CS..  trans-80.784.8173.8-170-88.4000109.8I37 R38 K165 A166 L180 I189 L198I37-Y184 HydrophobicContact CG2-CD2 4.13Å; I37-Y184 HydrophobicContact CG2-CE2 3.83Å; R38-Y184 WeakPolarHBondContact O-CE2 3.49Å; R38-Y184 PolarHBondContact O-OH 3.41Å; K165-Y184 HydrophobicContact CB-CE1 3.76Å; K165-Y184 HydrophobicContact CD-CE1 4.01Å; K165-Y184 HydrophobicContact CG-CE1 4.49Å; A166-Y184 HydrophobicContact CB-CD2 3.69Å; A166-Y184 HydrophobicContact CB-CE2 3.93Å; A166-Y184 HydrophobicContact CB-CG 4.37Å; L180-Y184 WeakPolarHBondContact O-CB 3.35Å; L180-Y184 PolarHBondContact O-N 2.81Å; Y184-I189 HydrophobicContact CD2-CG2 3.91Å; Y184-I189 HydrophobicContact CE1-CD1 4.1Å; Y184-I189 HydrophobicContact CE1-CG2 4.5Å; Y184-I189 HydrophobicContact CE2-CG2 3.49Å; Y184-I189 VanDerWaalsContact CE2-CG2 3.49Å; Y184-L198 HydrophobicContact CD2-CD2 4.1Å
185T91.1Very high90.1Very high70 Ų7067.5 Ų67.543%0.42935%0.347SS..  trans-109.2164.9174.460.40000110.8N183 D187 A188 I189N183-T185 PolarHBondContact O-N 2.89Å; N183-T185 VanDerWaalsContact O-N 3.1Å; T185-D187 VanDerWaalsContact C-N 3.29Å; T185-D187 PolarHBondContact O-N 3.48Å; T185-A188 PolarHBondContact O-N 3.15Å; T185-A188 VanDerWaalsContact O-N 3.11Å; T185-A188 WeakPolarHBondContact OG1-CB 3.15Å; T185-A188 PolarHBondContact OG1-N 3.36Å; T185-I189 WeakPolarHBondContact O-CG1 3.43Å; T185-I189 PolarHBondContact O-N 3.22Å
186E83.9Confident90.1Very high168 Ų16864.1 Ų64.179%0.78533%0.326SS*.Hα-helixtrans-57.6-42.2176.7-67.4-175.2175.400111.8A188 I189 A190E186-A188 VanDerWaalsContact C-N 3.34Å; E186-A188 PolarHBondContact O-N 2.86Å; E186-I189 CarbonylContact O-C 2.95Å; E186-I189 VanDerWaalsContact O-CG1 3.24Å; E186-I189 WeakPolarHBondContact O-CG1 3.12Å; E186-I189 PolarHBondContact O-N 3.27Å; E186-A190 WeakPolarHBondContact O-CB 3.28Å; E186-A190 PolarHBondContact O-N 2.86Å
187D80.8Confident90Very high126 Ų12665.7 Ų65.767%0.67433%0.333SS*.Hα-helixtrans-61.1-41.9174.6-59.3-33.9000111.7T185 I189 A190T185-D187 VanDerWaalsContact C-N 3.29Å; T185-D187 PolarHBondContact O-N 3.48Å; D187-I189 PolarHBondContact O-N 3.2Å; D187-I189 VanDerWaalsContact O-N 3.1Å; D187-A190 PolarHBondContact O-N 3.18Å
188A78.8Confident90Very high19 Ų1961.8 Ų61.816%0.15732%0.319CS..Hα-helixtrans-68.4-11.8-178.900000113.9N183 T185 E186 E194 A195 L198N183-A188 WeakPolarHBondContact O-CB 3.47Å; T185-A188 PolarHBondContact O-N 3.15Å; T185-A188 VanDerWaalsContact O-N 3.11Å; T185-A188 WeakPolarHBondContact OG1-CB 3.15Å; T185-A188 PolarHBondContact OG1-N 3.36Å; E186-A188 VanDerWaalsContact C-N 3.34Å; E186-A188 PolarHBondContact O-N 2.86Å; A188-E194 CarbonylContact O-C 3.47Å; A188-A195 PolarHBondContact O-N 3.23Å; A188-L198 HydrophobicContact CB-CD2 4.19Å
189I85Confident89.9Confident25 Ų2558 Ų5813%0.12830%0.301CS..Hα-helixtrans-119.92.7179.367.7173.5000113.7T40 Y184 T185 E186 D187T40-I189 PolarHBondContact N-O 2.88Å; T40-I189 PolarHBondContact OG1-O 3.04Å; T40-I189 VanDerWaalsContact OG1-O 3.05Å; Y184-I189 HydrophobicContact CD2-CG2 3.91Å; Y184-I189 HydrophobicContact CE1-CD1 4.1Å; Y184-I189 HydrophobicContact CE1-CG2 4.5Å; Y184-I189 HydrophobicContact CE2-CG2 3.49Å; Y184-I189 VanDerWaalsContact CE2-CG2 3.49Å; T185-I189 WeakPolarHBondContact O-CG1 3.43Å; T185-I189 PolarHBondContact O-N 3.22Å; E186-I189 CarbonylContact O-C 2.95Å; E186-I189 VanDerWaalsContact O-CG1 3.24Å; E186-I189 WeakPolarHBondContact O-CG1 3.12Å; E186-I189 PolarHBondContact O-N 3.27Å; D187-I189 PolarHBondContact O-N 3.2Å; D187-I189 VanDerWaalsContact O-N 3.1Å
190A82.3Confident89.7Confident63 Ų6356.4 Ų56.452%0.52129%0.294SS..Hα-helixtrans-69.1-45.9-178.300000110.8E186 D187E186-A190 WeakPolarHBondContact O-CB 3.28Å; E186-A190 PolarHBondContact O-N 2.86Å; D187-A190 PolarHBondContact O-N 3.18Å
191S89.8Confident89.6Confident50 Ų5058.6 Ų58.635%0.3530%0.303SS..SBendtrans-102145.6177-174.10000113.1N193 E194 A195S191-N193 PolarHBondContact O-N 3.18Å; S191-N193 PolarHBondContact OG-N 2.88Å; S191-E194 WeakPolarHBondContact CB-OE2 3.16Å; S191-E194 PolarHBondContact N-OE2 3.06Å; S191-E194 PolarHBondContact O-N 3.47Å; S191-E194 VanDerWaalsContact O-N 3.11Å; S191-A195 PolarHBondContact O-N 2.9Å
192D89.3Confident89.5Confident43 Ų4352.5 Ų52.523%0.2328%0.275CS..Hα-helixtrans-53.9-41.3172.1-77.310.8000112.3I42 I196 R220I42-D192 HydrophobicContact CD1-CB 4.01Å; D192-I196 WeakPolarHBondContact O-CD1 3.33Å; D192-I196 VanDerWaalsContact O-CG1 3.24Å; D192-I196 WeakPolarHBondContact O-CG1 3.17Å; D192-I196 PolarHBondContact O-N 3.24Å; D192-I196 VanDerWaalsContact O-N 3.08Å; D192-R220 WeakPolarHBondContact OD2-CD 3.28Å; D192-R220 IonicContact OD2-CZ 3.3Å; D192-R220 IonicContact OD2-NE 2.85Å; D192-R220 PolarHBondContact OD2-NE 2.9Å; D192-R220 IonicContact OD2-NH2 3.4Å
193N90.6Very high89.3Confident78 Ų7844.5 Ų44.542%0.41724%0.24SC..Hα-helixtrans-69.3-34.6-179.2-76.4-28.3000111.9S191 I196 K197 Y236S191-N193 PolarHBondContact O-N 3.18Å; S191-N193 PolarHBondContact OG-N 2.88Å; N193-I196 PolarHBondContact O-N 3.45Å; N193-K197 WeakPolarHBondContact O-CB 3.47Å; N193-K197 WeakPolarHBondContact O-CG 3.2Å; N193-K197 PolarHBondContact O-N 3.41Å; N193-Y236 PolarHBondContact OD1-OH 3Å; N193-Y236 VanDerWaalsContact OD1-OH 3.06Å
194E90.6Very high89.3Confident86 Ų8643 Ų4340%0.40223%0.232SC..Hα-helixtrans-71.6-41.2178.4-70.6167.8153.500110.9A188 S191 I196 K197 L198A188-E194 CarbonylContact O-C 3.47Å; S191-E194 WeakPolarHBondContact CB-OE2 3.16Å; S191-E194 PolarHBondContact N-OE2 3.06Å; S191-E194 PolarHBondContact O-N 3.47Å; S191-E194 VanDerWaalsContact O-N 3.11Å; E194-I196 VanDerWaalsContact C-N 3.31Å; E194-I196 PolarHBondContact O-N 3.5Å; E194-K197 PolarHBondContact O-N 3.48Å; E194-L198 WeakPolarHBondContact O-CB 3.49Å; E194-L198 PolarHBondContact O-N 3.24Å
195A91.6Very high89.1Confident0 Ų044.9 Ų44.90%024%0.243CC..Hα-helixtrans-61-40.6173.600000111.9I42 V44 A188 S191 L198 A199I42-A195 HydrophobicContact CG2-CB 3.88Å; V44-A195 HydrophobicContact CG2-CB 4.18Å; A188-A195 PolarHBondContact O-N 3.23Å; S191-A195 PolarHBondContact O-N 2.9Å; A195-L198 PolarHBondContact O-N 3.27Å; A195-A199 PolarHBondContact O-N 3.05Å; A195-A199 VanDerWaalsContact O-N 3.09Å
196I92.8Very high88.9Confident0 Ų042.8 Ų42.80%023%0.229CC..Hα-helixtrans-63.5-48.4173.7-70.6162.6000110.8I42 V44 D192 N193 E194 L198 A199 I200 L216 I218 F228 Y236I42-I196 HydrophobicContact CD1-CD1 4.11Å; I42-I196 HydrophobicContact CD1-CG1 4.19Å; V44-I196 HydrophobicContact CG2-CG1 3.95Å; D192-I196 WeakPolarHBondContact O-CD1 3.33Å; D192-I196 VanDerWaalsContact O-CG1 3.24Å; D192-I196 WeakPolarHBondContact O-CG1 3.17Å; D192-I196 PolarHBondContact O-N 3.24Å; D192-I196 VanDerWaalsContact O-N 3.08Å; N193-I196 PolarHBondContact O-N 3.45Å; E194-I196 VanDerWaalsContact C-N 3.31Å; E194-I196 PolarHBondContact O-N 3.5Å; I196-L198 VanDerWaalsContact C-N 3.29Å; I196-L198 PolarHBondContact O-N 3.5Å; I196-A199 PolarHBondContact O-N 3.08Å; I196-I200 HydrophobicContact CG2-CD1 3.92Å; I196-I200 WeakPolarHBondContact O-CG1 3.42Å; I196-I200 PolarHBondContact O-N 3.04Å; I196-L216 HydrophobicContact CG2-CD2 3.71Å; I196-I218 HydrophobicContact CD1-CD1 4.46Å; I196-I218 HydrophobicContact CD1-CG2 4.21Å; I196-I218 HydrophobicContact CG1-CG2 4.01Å; I196-F228 HydrophobicContact CD1-CZ 3.89Å; I196-Y236 HydrophobicContact CG2-CD1 4.17Å; I196-Y236 HydrophobicContact CG2-CD2 4.42Å; I196-Y236 HydrophobicContact CG2-CE1 4.08Å; I196-Y236 HydrophobicContact CG2-CE2 4.4Å; I196-Y236 HydrophobicContact CG2-CG 4.33Å
197K92.7Very high88.8Confident34 Ų3435.2 Ų35.215%0.14820%0.195CC..Hα-helixtrans-60.1-39.6177.6-77.6-177.9177.8-170.10111.5N193 E194 I200 K201 Y236 E239 I240 E243N193-K197 WeakPolarHBondContact O-CB 3.47Å; N193-K197 WeakPolarHBondContact O-CG 3.2Å; N193-K197 PolarHBondContact O-N 3.41Å; E194-K197 PolarHBondContact O-N 3.48Å; K197-I200 PolarHBondContact O-N 3.14Å; K197-K201 WeakPolarHBondContact O-CB 3.44Å; K197-K201 VanDerWaalsContact O-CG 3.23Å; K197-K201 WeakPolarHBondContact O-CG 3.31Å; K197-K201 PolarHBondContact O-N 3.21Å; K197-Y236 HydrophobicContact CG-CD1 4.08Å; K197-E239 WeakPolarHBondContact CE-OE2 3.47Å; K197-E239 IonicContact NZ-OE2 3.47Å; K197-E239 PolarHBondContact NZ-OE2 3.41Å; K197-I240 HydrophobicContact CB-CD1 4.31Å; K197-I240 HydrophobicContact CB-CG1 4.46Å; K197-I240 HydrophobicContact CG-CD1 4.26Å; K197-I240 HydrophobicContact CG-CG1 4.21Å; K197-E243 IonicContact NZ-OE1 3.58Å; K197-E243 PolarHBondContact NZ-OE1 3.47Å
198L93.4Very high88.3Confident10 Ų1038.4 Ų38.45%0.05221%0.206CC..Hα-helixtrans-63.2-42.6177.2-175.863.7000111.5I37 F179 L180 N183 Y184 A188 E194 A195 I196 K201 A202I37-L198 HydrophobicContact CD1-CB 4.05Å; I37-L198 HydrophobicContact CD1-CD2 3.89Å; I37-L198 HydrophobicContact CD1-CG 3.66Å; I37-L198 HydrophobicContact CG2-CD2 4.21Å; F179-L198 HydrophobicContact CE1-CD1 4.2Å; L180-L198 HydrophobicContact CD2-CG 4.49Å; N183-L198 HydrophobicContact CB-CD1 3.64Å; Y184-L198 HydrophobicContact CD2-CD2 4.1Å; A188-L198 HydrophobicContact CB-CD2 4.19Å; E194-L198 WeakPolarHBondContact O-CB 3.49Å; E194-L198 PolarHBondContact O-N 3.24Å; A195-L198 PolarHBondContact O-N 3.27Å; I196-L198 VanDerWaalsContact C-N 3.29Å; I196-L198 PolarHBondContact O-N 3.5Å; L198-K201 PolarHBondContact O-N 2.98Å; L198-A202 WeakPolarHBondContact O-CB 3.29Å; L198-A202 PolarHBondContact O-N 2.64Å
199A92.1Very high87.5Confident0 Ų041.5 Ų41.50%023%0.226CC..Hα-helixtrans-64-41.8177.300000112.1I37 V44 A195 I196 A202 L203 L216I37-A199 VanDerWaalsContact CD1-CA 3.47Å; I37-A199 HydrophobicContact CD1-CB 3.81Å; I37-A199 HydrophobicContact CG1-CB 4.29Å; V44-A199 HydrophobicContact CB-CB 4.24Å; V44-A199 HydrophobicContact CG1-CB 3.53Å; A195-A199 PolarHBondContact O-N 3.05Å; A195-A199 VanDerWaalsContact O-N 3.09Å; I196-A199 PolarHBondContact O-N 3.08Å; A199-A202 PolarHBondContact O-N 3.3Å; A199-L203 PolarHBondContact O-N 2.91Å; A199-L203 VanDerWaalsContact O-N 3.12Å; A199-L216 HydrophobicContact CB-CD1 4.3Å
200I92.3Very high86.5Confident0 Ų041.9 Ų41.90%024%0.236CC..Hα-helixtrans-67.7-45.5176.5-64170.1000110.5I196 K197 A202 L203 L204 I214 L216 Y236 V237 I240I196-I200 HydrophobicContact CG2-CD1 3.92Å; I196-I200 WeakPolarHBondContact O-CG1 3.42Å; I196-I200 PolarHBondContact O-N 3.04Å; K197-I200 PolarHBondContact O-N 3.14Å; I200-A202 VanDerWaalsContact C-N 3.29Å; I200-A202 PolarHBondContact O-N 3.13Å; I200-L203 PolarHBondContact O-N 3.08Å; I200-L203 VanDerWaalsContact O-N 3.15Å; I200-L204 HydrophobicContact CG2-CD1 3.91Å; I200-L204 HydrophobicContact CG2-CG 4.22Å; I200-L204 WeakPolarHBondContact O-CG 3.38Å; I200-L204 PolarHBondContact O-N 2.86Å; I200-I214 HydrophobicContact CG2-CD1 4.34Å; I200-L216 HydrophobicContact CD1-CD2 4.34Å; I200-L216 HydrophobicContact CG1-CD1 4.32Å; I200-L216 HydrophobicContact CG1-CD2 4.49Å; I200-Y236 VanDerWaalsContact CD1-CB 3.43Å; I200-Y236 HydrophobicContact CD1-CG 4.01Å; I200-V237 HydrophobicContact CG2-CG2 3.7Å; I200-I240 HydrophobicContact CB-CD1 3.73Å; I200-I240 HydrophobicContact CG2-CD1 3.51Å
201K92.5Very high85.9Confident51 Ų5139 Ų3922%0.22221%0.212CC..Hα-helixtrans-55.3-45.4175.1-75.7173.2-174.9179.30110.9F179 K197 L198 L203 L204 E205 I240 E243F179-K201 HydrophobicContact CE1-CB 4.24Å; F179-K201 HydrophobicContact CZ-CB 3.87Å; K197-K201 WeakPolarHBondContact O-CB 3.44Å; K197-K201 VanDerWaalsContact O-CG 3.23Å; K197-K201 WeakPolarHBondContact O-CG 3.31Å; K197-K201 PolarHBondContact O-N 3.21Å; L198-K201 PolarHBondContact O-N 2.98Å; K201-L203 PolarHBondContact O-N 3.29Å; K201-L204 PolarHBondContact O-N 3.42Å; K201-E205 PolarHBondContact O-N 3.21Å; K201-I240 HydrophobicContact CD-CG2 4.33Å; K201-I240 HydrophobicContact CG-CD1 4.09Å; K201-I240 HydrophobicContact CG-CG1 4.26Å; K201-I240 HydrophobicContact CG-CG2 3.64Å; K201-E243 IonicContact NZ-OE2 2.6Å; K201-E243 PolarHBondContact NZ-OE2 2.68Å
202A92.5Very high85.3Confident0 Ų043.7 Ų43.70%023%0.226CC..Hα-helixtrans-63-37.2178.300000113.3V35 V176 F179 L180 L198 A199 I200V35-A202 HydrophobicContact CG1-CB 4.3Å; V176-A202 HydrophobicContact CG1-CB 3.99Å; F179-A202 HydrophobicContact CD1-CB 3.82Å; F179-A202 HydrophobicContact CE1-CB 3.86Å; L180-A202 HydrophobicContact CD2-CB 3.9Å; L180-A202 HydrophobicContact CG-CB 4.35Å; L198-A202 WeakPolarHBondContact O-CB 3.29Å; L198-A202 PolarHBondContact O-N 2.64Å; A199-A202 PolarHBondContact O-N 3.3Å; I200-A202 VanDerWaalsContact C-N 3.29Å; I200-A202 PolarHBondContact O-N 3.13Å
203L89.8Confident85Confident0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-73.6-35.2175.5-75.5174.1000112.8T33 V35 A199 I200 K201 E205 V206 V207 I214T33-L203 HydrophobicContact CG2-CD2 4.5Å; V35-L203 HydrophobicContact CB-CD2 4.42Å; V35-L203 HydrophobicContact CG2-CD2 3.67Å; V35-L203 HydrophobicContact CG2-CG 4.06Å; A199-L203 PolarHBondContact O-N 2.91Å; A199-L203 VanDerWaalsContact O-N 3.12Å; I200-L203 PolarHBondContact O-N 3.08Å; I200-L203 VanDerWaalsContact O-N 3.15Å; K201-L203 PolarHBondContact O-N 3.29Å; L203-E205 PolarHBondContact O-N 3.44Å; L203-V206 PolarHBondContact O-N 3.14Å; L203-V207 WeakPolarHBondContact O-CG2 3.41Å; L203-V207 PolarHBondContact O-N 3.07Å; L203-I214 HydrophobicContact CB-CD1 4.2Å; L203-I214 HydrophobicContact CB-CG1 4.48Å; L203-I214 HydrophobicContact CD1-CG1 4.43Å; L203-I214 HydrophobicContact CD1-CG2 3.74Å
204L90.8Very high84.8Confident32 Ų3240.1 Ų40.117%0.16821%0.207CC..Hα-helixtrans-65.3-19.5177.7-72.5173.3000113.1I200 K201 V206 I214 V237 I240I200-L204 HydrophobicContact CG2-CD1 3.91Å; I200-L204 HydrophobicContact CG2-CG 4.22Å; I200-L204 WeakPolarHBondContact O-CG 3.38Å; I200-L204 PolarHBondContact O-N 2.86Å; K201-L204 PolarHBondContact O-N 3.42Å; L204-V206 PolarHBondContact O-N 3.01Å; L204-I214 HydrophobicContact CD2-CD1 4.02Å; L204-I214 HydrophobicContact CG-CD1 4.3Å; L204-V237 HydrophobicContact CD1-CG1 4.4Å; L204-I240 HydrophobicContact CD1-CG2 4.19Å
205E89.1Confident84.5Confident88 Ų8837.1 Ų37.141%0.41119%0.193SC..THydrogen-bonded Turntrans-65.6-18.9171.1-63.7-59.5129.900113F179 K201 L203 K244F179-E205 HydrophobicContact CB-CG 4.4Å; F179-E205 HydrophobicContact CD1-CG 4.49Å; F179-E205 HydrophobicContact CD2-CG 3.6Å; F179-E205 HydrophobicContact CE2-CG 3.95Å; F179-E205 HydrophobicContact CG-CG 3.91Å; K201-E205 PolarHBondContact O-N 3.21Å; L203-E205 PolarHBondContact O-N 3.44Å; E205-K244 IonicContact OE1-NZ 3.7Å
206V86.3Confident84.3Confident25 Ų2537.1 Ų37.115%0.15219%0.193CC..THydrogen-bonded Turntrans-116.1-32.4-178.4-173.80000112.3V176 L203 L204 Q208V176-V206 HydrophobicContact CG2-CG2 3.35Å; L203-V206 PolarHBondContact O-N 3.14Å; L204-V206 PolarHBondContact O-N 3.01Å; V206-Q208 PolarHBondContact O-N 3.16Å
207V82.3Confident84.1Confident10 Ų1037.1 Ų37.16%0.06119%0.193CC..  trans-84.7113.6-176.7178.50000110.2E48 L203 S209 N213E48-V207 HydrophobicContact CB-CG2 4.36Å; E48-V207 HydrophobicContact CG-CG2 3.96Å; L203-V207 WeakPolarHBondContact O-CG2 3.41Å; L203-V207 PolarHBondContact O-N 3.07Å; V207-S209 VanDerWaalsContact C-N 3.31Å; V207-S209 PolarHBondContact O-N 2.98Å; V207-N213 HydrophobicContact CG1-CB 3.81Å
208Q70.3Confident83.9Confident193 Ų19335.6 Ų35.690%0.90219%0.186SC*.SBendtrans-69-17.2-174-70.2179.7-22.900115.2V206V206-Q208 PolarHBondContact O-N 3.16Å
209S62.6Low83.5Confident84 Ų8435.2 Ų35.259%0.58719%0.185SC*.SBendtrans-159.6113.2-178.7-53.30000114.1V207 N213V207-S209 VanDerWaalsContact C-N 3.31Å; V207-S209 PolarHBondContact O-N 2.98Å; S209-N213 PolarHBondContact O-ND2 2.86Å
210G64.1Low83.2Confident32 Ų3237.9 Ų37.933%0.3320%0.195SC..  trans73.5152.4152.700000118.3K212 N213G210-K212 PolarHBondContact O-N 3.44Å; G210-N213 PolarHBondContact O-N 3.4Å
211G69.2Low82.7Confident2 Ų243.4 Ų43.42%0.02122%0.215CC..G310 helixtrans-59.3-15.1-178.900000115.8N213 I214G211-N213 PolarHBondContact O-N 3.33Å; G211-I214 PolarHBondContact O-N 3.47Å; G211-I214 VanDerWaalsContact O-N 3.17Å
212K76.8Confident82Confident149 Ų14944.5 Ų44.565%0.64822%0.224SC*.G310 helixtrans-64.5-24.6178.2-65.6-179.8-177.3173.80113.9G210G210-K212 PolarHBondContact O-N 3.44Å
213N82.4Confident81.4Confident37 Ų3748.8 Ų48.820%0.19824%0.244CC..G310 helixtrans-96.110.2179.7-65.6-39.9000112.7K49 V207 S209 G210 G211K49-N213 PolarHBondContact N-O 3.2Å; K49-N213 WeakPolarHBondContact O-CA 3.49Å; K49-N213 WeakPolarHBondContact O-CB 3.43Å; K49-N213 VanDerWaalsContact O-O 3.14Å; V207-N213 HydrophobicContact CG1-CB 3.81Å; S209-N213 PolarHBondContact O-ND2 2.86Å; G210-N213 PolarHBondContact O-N 3.4Å; G211-N213 PolarHBondContact O-N 3.33Å
214I85.9Confident80.8Confident9 Ų952.6 Ų52.65%0.04627%0.269CS..EExtended strand (participates in β ladder)trans-115.7125.4-180-64.1173.9000108.5I200 L203 L204 G211 V233I200-I214 HydrophobicContact CG2-CD1 4.34Å; L203-I214 HydrophobicContact CB-CD1 4.2Å; L203-I214 HydrophobicContact CB-CG1 4.48Å; L203-I214 HydrophobicContact CD1-CG1 4.43Å; L203-I214 HydrophobicContact CD1-CG2 3.74Å; L204-I214 HydrophobicContact CD2-CD1 4.02Å; L204-I214 HydrophobicContact CG-CD1 4.3Å; G211-I214 PolarHBondContact O-N 3.47Å; G211-I214 VanDerWaalsContact O-N 3.17Å; I214-V233 HydrophobicContact CB-CG1 3.98Å; I214-V233 HydrophobicContact CG2-CG1 3.93Å
215E84.8Confident80.3Confident23 Ų2353.6 Ų53.611%0.10727%0.274CS..EExtended strand (participates in β ladder)trans-105.8123.4167.1-169.8178163.900107.8G46 V47 I64 M227G46-E215 WeakPolarHBondContact CA-O 3.37Å; V47-E215 PolarHBondContact N-O 3.46Å; V47-E215 PolarHBondContact O-N 2.91Å; I64-E215 HydrophobicContact CD1-CG 4.13Å; E215-M227 HydrophobicContact CG-CE 3.84Å; E215-M227 WeakPolarHBondContact OE1-CE 3.41Å
216L88Confident80.2Confident0 Ų053.5 Ų53.50%027%0.272CS..EExtended strand (participates in β ladder)trans-120.9137.8-177.6-163.783.7000110.1V44 I196 A199 I200 F228 V233V44-L216 HydrophobicContact CG1-CD1 3.71Å; V44-L216 HydrophobicContact CG1-CD2 4.44Å; V44-L216 HydrophobicContact CG1-CG 4.19Å; I196-L216 HydrophobicContact CG2-CD2 3.71Å; A199-L216 HydrophobicContact CB-CD1 4.3Å; I200-L216 HydrophobicContact CD1-CD2 4.34Å; I200-L216 HydrophobicContact CG1-CD1 4.32Å; I200-L216 HydrophobicContact CG1-CD2 4.49Å; L216-F228 HydrophobicContact CB-CB 4.21Å; L216-F228 HydrophobicContact CB-CD2 4.37Å; L216-F228 HydrophobicContact CB-CG 4.32Å; L216-F228 HydrophobicContact CD2-CD1 4.21Å; L216-F228 HydrophobicContact CD2-CD2 3.97Å; L216-F228 HydrophobicContact CD2-CE1 4.32Å; L216-F228 HydrophobicContact CD2-CE2 4.09Å; L216-F228 HydrophobicContact CD2-CG 4.06Å; L216-F228 HydrophobicContact CD2-CZ 4.27Å; L216-F228 HydrophobicContact CG-CD2 4.4Å; L216-F228 PolarHBondContact O-N 3.17Å; L216-V233 HydrophobicContact CB-CG2 4.12Å
217A87.8Confident80.1Confident0 Ų054.5 Ų54.50%028%0.276CS..EExtended strand (participates in β ladder)trans-136.1143.3173.900000110.3L45 I64 L78 L225 K226 M227L45-A217 PolarHBondContact N-O 2.81Å; L45-A217 PolarHBondContact O-N 3.03Å; L45-A217 VanDerWaalsContact O-O 3.13Å; I64-A217 HydrophobicContact CD1-CB 3.79Å; I64-A217 HydrophobicContact CG2-CB 3.69Å; L78-A217 HydrophobicContact CD2-CB 3.77Å; A217-L225 HydrophobicContact CB-CD1 3.95Å; A217-K226 WeakPolarHBondContact CA-O 3.32Å; A217-M227 HydrophobicContact CB-CE 4.15Å; A217-M227 HydrophobicContact CB-SD 3.46Å; A217-M227 WeakPolarHBondContact CB-SD 3.46Å
218I88.9Confident80.3Confident2 Ų255.1 Ų55.11%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-126.9151.5176.469.4176.8000110.7I42 V43 V44 I196 R220 K226 F228I42-I218 HydrophobicContact CD1-CB 3.98Å; I42-I218 HydrophobicContact CD1-CD1 4.11Å; I42-I218 HydrophobicContact CD1-CG2 4Å; I42-I218 HydrophobicContact CG1-CB 4.25Å; V43-I218 WeakPolarHBondContact O-CA 3.18Å; V44-I218 HydrophobicContact CB-CG2 4.43Å; V44-I218 HydrophobicContact CG1-CG2 4.13Å; V44-I218 HydrophobicContact CG2-CG2 4.05Å; I196-I218 HydrophobicContact CD1-CD1 4.46Å; I196-I218 HydrophobicContact CD1-CG2 4.21Å; I196-I218 HydrophobicContact CG1-CG2 4.01Å; I218-R220 VanDerWaalsContact CD1-CZ 3.48Å; I218-K226 HydrophobicContact CD1-CB 4.5Å; I218-K226 HydrophobicContact CG1-CB 3.96Å; I218-K226 PolarHBondContact N-O 2.74Å; I218-K226 PolarHBondContact O-N 3.44Å; I218-F228 HydrophobicContact CB-CE2 4.18Å; I218-F228 HydrophobicContact CD1-CE2 3.66Å; I218-F228 HydrophobicContact CD1-CZ 3.91Å; I218-F228 HydrophobicContact CG1-CE2 3.71Å; I218-F228 HydrophobicContact CG1-CZ 4.45Å; I218-F228 HydrophobicContact CG2-CD2 4.45Å; I218-F228 HydrophobicContact CG2-CE2 3.57Å; I218-F228 HydrophobicContact CG2-CZ 4.19Å
219I85Confident81.1Confident3 Ų348.6 Ų48.62%0.01525%0.253CS..EExtended strand (participates in β ladder)trans-127.1125.3169.3-57.1148.9000105.7I42 V43 A76 L78 V142 F144 L225I42-I219 WeakPolarHBondContact CA-O 3.31Å; V43-I219 PolarHBondContact N-O 3.2Å; V43-I219 PolarHBondContact O-N 2.77Å; A76-I219 HydrophobicContact CB-CB 4.35Å; A76-I219 HydrophobicContact CB-CD1 3.3Å; A76-I219 HydrophobicContact CB-CG1 3.54Å; A76-I219 HydrophobicContact CB-CG2 3.85Å; A76-I219 VanDerWaalsContact O-CD1 3.23Å; A76-I219 WeakPolarHBondContact O-CD1 3.39Å; L78-I219 HydrophobicContact CB-CD1 3.89Å; L78-I219 HydrophobicContact CD2-CD1 4.36Å; V142-I219 HydrophobicContact CG2-CD1 3.58Å; F144-I219 HydrophobicContact CD2-CG2 4.02Å; F144-I219 HydrophobicContact CE2-CB 4.21Å; F144-I219 HydrophobicContact CE2-CG2 3.69Å; F144-I219 WeakPolarHBondContact CE2-O 3.39Å; I219-L225 HydrophobicContact CD1-CD1 4.46Å; I219-L225 HydrophobicContact CG1-CD1 3.87Å
220R86.9Confident82.1Confident55 Ų5547.5 Ų47.521%0.20825%0.249CC..EExtended strand (participates in β ladder)trans-107.5158.8170-62.5-172.9-179.3104.6-0.5108.9I42 D192 I218 N222 Q223I42-R220 HydrophobicContact CD1-CG 4.31Å; I42-R220 HydrophobicContact CG1-CG 4.17Å; D192-R220 WeakPolarHBondContact OD2-CD 3.28Å; D192-R220 IonicContact OD2-CZ 3.3Å; D192-R220 IonicContact OD2-NE 2.85Å; D192-R220 PolarHBondContact OD2-NE 2.9Å; D192-R220 IonicContact OD2-NH2 3.4Å; I218-R220 VanDerWaalsContact CD1-CZ 3.48Å; R220-N222 PolarHBondContact O-N 2.84Å; R220-Q223 HydrophobicContact CB-CB 4.12Å; R220-Q223 HydrophobicContact CB-CG 4.27Å; R220-Q223 PolarHBondContact O-N 3.24Å
221R81.9Confident83.1Confident116 Ų11653.8 Ų53.844%0.43827%0.267SS..THydrogen-bonded Turntrans-55.1132.6170.1-171.9175.9-176176.36.8109.5N41 F144 Q223N41-R221 PolarHBondContact O-N 2.82Å; F144-R221 HydrophobicContact CD1-CB 4.34Å; F144-R221 HydrophobicContact CE1-CB 4.06Å; F144-R221 HydrophobicContact CZ-CB 4.49Å; R221-Q223 PolarHBondContact O-N 3.26Å
222N76.8Confident84.1Confident75 Ų7556.3 Ų56.340%0.40128%0.279SS..THydrogen-bonded Turntrans58.526.9176.2-55.6-4.9000114.2C72 M73 R220C72-N222 VanDerWaalsContact C-C 3.45Å; C72-N222 VanDerWaalsContact CB-O 3.29Å; C72-N222 WeakPolarHBondContact CB-O 3.46Å; C72-N222 CarbonylContact O-C 3.34Å; C72-N222 WeakPolarHBondContact O-CA 3.11Å; C72-N222 PolarHBondContact O-N 3.15Å; M73-N222 VanDerWaalsContact CA-OD1 3.23Å; M73-N222 WeakPolarHBondContact CA-OD1 3.44Å; M73-N222 WeakPolarHBondContact CB-OD1 3.44Å; M73-N222 HydrophobicContact CE-CB 4.47Å; M73-N222 HydrophobicContact CG-CB 3.83Å; M73-N222 VanDerWaalsContact CG-CG 3.44Å; M73-N222 WeakPolarHBondContact CG-OD1 3.39Å; R220-N222 PolarHBondContact O-N 2.84Å
223Q80.8Confident84.7Confident89 Ų8949.2 Ų49.242%0.41625%0.248SC..SBendtrans-132150171.3-63.1-173.77.800112.4C72 R220 R221C72-Q223 VanDerWaalsContact CA-C 3.45Å; C72-Q223 WeakPolarHBondContact CA-O 3.44Å; C72-Q223 PolarHBondContact O-N 3.12Å; R220-Q223 HydrophobicContact CB-CB 4.12Å; R220-Q223 HydrophobicContact CB-CG 4.27Å; R220-Q223 PolarHBondContact O-N 3.24Å; R221-Q223 PolarHBondContact O-N 3.26Å
224P75.8Confident84.9Confident81 Ų8151.5 Ų51.553%0.52626%0.257SS..  trans-73.3163.5179.330.8-26.3000109.4C72 K226C72-P224 WeakPolarHBondContact SG-CD 3.43Å; P224-K226 PolarHBondContact O-N 3.32Å; P224-K226 VanDerWaalsContact O-N 3.08Å
225L81.2Confident85.1Confident53 Ų5356.3 Ų56.328%0.27728%0.283SS..  trans-50.9117.8173.2175.966.6000110.6A66 L78 A217 I219 M227A66-L225 HydrophobicContact CB-CD2 4.27Å; L78-L225 HydrophobicContact CD1-CD1 4.12Å; L78-L225 HydrophobicContact CD1-CD2 3.96Å; L78-L225 HydrophobicContact CD2-CD1 4Å; A217-L225 HydrophobicContact CB-CD1 3.95Å; I219-L225 HydrophobicContact CD1-CD1 4.46Å; I219-L225 HydrophobicContact CG1-CD1 3.87Å; L225-M227 HydrophobicContact CD1-SD 4.5Å; L225-M227 HydrophobicContact CD2-SD 4.23Å; L225-M227 HydrophobicContact CG-SD 4.35Å
226K85.9Confident85.4Confident86 Ų8657.2 Ų57.237%0.37429%0.285SS..EExtended strand (participates in β ladder)trans-103.1114.4172.2-172.7-174.8176.5-165.60109.5A217 I218 P224 E232A217-K226 WeakPolarHBondContact CA-O 3.32Å; I218-K226 HydrophobicContact CD1-CB 4.5Å; I218-K226 HydrophobicContact CG1-CB 3.96Å; I218-K226 PolarHBondContact N-O 2.74Å; I218-K226 PolarHBondContact O-N 3.44Å; P224-K226 PolarHBondContact O-N 3.32Å; P224-K226 VanDerWaalsContact O-N 3.08Å; K226-E232 IonicContact NZ-OE1 2.77Å; K226-E232 PolarHBondContact NZ-OE1 2.73Å
227M84.8Confident85.5Confident46 Ų4657.4 Ų57.423%0.22729%0.286CS..EExtended strand (participates in β ladder)trans-83.4134.4167.2-61.1-62-61.600109.3I64 E215 A217 L225I64-M227 HydrophobicContact CB-CE 4.1Å; I64-M227 HydrophobicContact CB-SD 4.43Å; I64-M227 HydrophobicContact CD1-CE 4.19Å; I64-M227 HydrophobicContact CG2-CE 3.83Å; I64-M227 HydrophobicContact CG2-SD 3.56Å; I64-M227 VanDerWaalsContact CG2-SD 3.56Å; E215-M227 HydrophobicContact CG-CE 3.84Å; E215-M227 WeakPolarHBondContact OE1-CE 3.41Å; A217-M227 HydrophobicContact CB-CE 4.15Å; A217-M227 HydrophobicContact CB-SD 3.46Å; A217-M227 WeakPolarHBondContact CB-SD 3.46Å; L225-M227 HydrophobicContact CD1-SD 4.5Å; L225-M227 HydrophobicContact CD2-SD 4.23Å; L225-M227 HydrophobicContact CG-SD 4.35Å
228F87.3Confident85.6Confident23 Ų2359.9 Ų59.910%0.10130%0.302CS..PPolyproline II helixtrans-80.8141.6175-77.5-117.8000110.3I196 L216 I218 E232 V233 Y236I196-F228 HydrophobicContact CD1-CZ 3.89Å; L216-F228 HydrophobicContact CB-CB 4.21Å; L216-F228 HydrophobicContact CB-CD2 4.37Å; L216-F228 HydrophobicContact CB-CG 4.32Å; L216-F228 HydrophobicContact CD2-CD1 4.21Å; L216-F228 HydrophobicContact CD2-CD2 3.97Å; L216-F228 HydrophobicContact CD2-CE1 4.32Å; L216-F228 HydrophobicContact CD2-CE2 4.09Å; L216-F228 HydrophobicContact CD2-CG 4.06Å; L216-F228 HydrophobicContact CD2-CZ 4.27Å; L216-F228 HydrophobicContact CG-CD2 4.4Å; L216-F228 PolarHBondContact O-N 3.17Å; I218-F228 HydrophobicContact CB-CE2 4.18Å; I218-F228 HydrophobicContact CD1-CE2 3.66Å; I218-F228 HydrophobicContact CD1-CZ 3.91Å; I218-F228 HydrophobicContact CG1-CE2 3.71Å; I218-F228 HydrophobicContact CG1-CZ 4.45Å; I218-F228 HydrophobicContact CG2-CD2 4.45Å; I218-F228 HydrophobicContact CG2-CE2 3.57Å; I218-F228 HydrophobicContact CG2-CZ 4.19Å; F228-E232 HydrophobicContact CB-CB 4.48Å; F228-E232 HydrophobicContact CD1-CB 3.75Å; F228-V233 HydrophobicContact CB-CG2 3.7Å; F228-V233 HydrophobicContact CG-CG2 4.5Å; F228-Y236 HydrophobicContact CD1-CE2 4.39Å; F228-Y236 HydrophobicContact CE1-CD2 4.37Å; F228-Y236 AromaticContact CE1-CE2 3.74Å; F228-Y236 HydrophobicContact CE1-CE2 3.74Å
229S86.4Confident85.6Confident56 Ų5663.8 Ų63.839%0.39232%0.32SS..PPolyproline II helixtrans-72.9154.4166.365.50000110.5K231 E232 V233S229-K231 PolarHBondContact O-N 3.07Å; S229-K231 VanDerWaalsContact O-N 3.14Å; S229-E232 PolarHBondContact N-OE2 3.34Å; S229-E232 PolarHBondContact O-N 3.48Å; S229-E232 VanDerWaalsContact O-N 3.08Å; S229-E232 WeakPolarHBondContact OG-CG 3.34Å; S229-E232 PolarHBondContact OG-N 3.15Å; S229-E232 PolarHBondContact OG-OE2 3.48Å; S229-V233 PolarHBondContact O-N 3.14Å; S229-V233 VanDerWaalsContact O-N 3.12Å
230A82.9Confident85.8Confident60 Ų6063.7 Ų63.750%0.49632%0.319SS..Hα-helixtrans-55.4-33.7176.800000112.6E234A230-E234 WeakPolarHBondContact O-CB 3.38Å; A230-E234 PolarHBondContact O-N 2.85Å
231K86.1Confident85.9Confident164 Ų16465.6 Ų65.671%0.71333%0.331SS*.Hα-helixtrans-67-44.6177-65.2-176.5180-1790112.2S229 V233 E234 L235S229-K231 PolarHBondContact O-N 3.07Å; S229-K231 VanDerWaalsContact O-N 3.14Å; K231-V233 VanDerWaalsContact C-N 3.34Å; K231-E234 PolarHBondContact O-N 3.39Å; K231-L235 WeakPolarHBondContact O-CG 3.43Å; K231-L235 PolarHBondContact O-N 3.03Å
232E89.4Confident86.2Confident55 Ų5566.3 Ų66.326%0.25734%0.337SS..Hα-helixtrans-62-44.3177.1-72.1166125.500110.4K226 F228 S229 E234 L235 Y236K226-E232 IonicContact NZ-OE1 2.77Å; K226-E232 PolarHBondContact NZ-OE1 2.73Å; F228-E232 HydrophobicContact CB-CB 4.48Å; F228-E232 HydrophobicContact CD1-CB 3.75Å; S229-E232 PolarHBondContact N-OE2 3.34Å; S229-E232 PolarHBondContact O-N 3.48Å; S229-E232 VanDerWaalsContact O-N 3.08Å; S229-E232 WeakPolarHBondContact OG-CG 3.34Å; S229-E232 PolarHBondContact OG-N 3.15Å; S229-E232 PolarHBondContact OG-OE2 3.48Å; E232-E234 VanDerWaalsContact C-N 3.33Å; E232-E234 PolarHBondContact O-N 3.3Å; E232-L235 PolarHBondContact O-N 2.93Å; E232-Y236 VanDerWaalsContact O-CD2 3.24Å; E232-Y236 WeakPolarHBondContact O-CD2 3.45Å; E232-Y236 PolarHBondContact O-N 3.17Å
233V88.9Confident86.7Confident1 Ų166.1 Ų66.11%0.00633%0.334CS..Hα-helixtrans-61.2-42.5176.8179.60000111.3I214 L216 F228 S229 K231 L235 Y236 V237I214-V233 HydrophobicContact CB-CG1 3.98Å; I214-V233 HydrophobicContact CG2-CG1 3.93Å; L216-V233 HydrophobicContact CB-CG2 4.12Å; F228-V233 HydrophobicContact CB-CG2 3.7Å; F228-V233 HydrophobicContact CG-CG2 4.5Å; S229-V233 PolarHBondContact O-N 3.14Å; S229-V233 VanDerWaalsContact O-N 3.12Å; K231-V233 VanDerWaalsContact C-N 3.34Å; V233-L235 VanDerWaalsContact C-N 3.33Å; V233-L235 PolarHBondContact O-N 3.38Å; V233-Y236 PolarHBondContact O-N 3.38Å; V233-V237 HydrophobicContact CG1-CG2 4.33Å; V233-V237 WeakPolarHBondContact O-CG2 3.48Å; V233-V237 PolarHBondContact O-N 3.24Å
234E88.3Confident86.8Confident84 Ų8465.9 Ų65.939%0.39333%0.331SS..Hα-helixtrans-62-38.8178.9-167162.8-146.400112.2A230 K231 E232 V237 T238A230-E234 WeakPolarHBondContact O-CB 3.38Å; A230-E234 PolarHBondContact O-N 2.85Å; K231-E234 PolarHBondContact O-N 3.39Å; E232-E234 VanDerWaalsContact C-N 3.33Å; E232-E234 PolarHBondContact O-N 3.3Å; E234-V237 PolarHBondContact O-N 3.32Å; E234-T238 WeakPolarHBondContact O-CG2 3.34Å; E234-T238 PolarHBondContact O-N 2.96Å; E234-T238 PolarHBondContact O-OG1 2.64Å
235L90.3Very high87.3Confident111 Ų11166.8 Ų66.858%0.58133%0.329SS*.Hα-helixtrans-58.3-50.8173.4-68.6171000111.6K231 E232 V233 V237 T238 E239K231-L235 WeakPolarHBondContact O-CG 3.43Å; K231-L235 PolarHBondContact O-N 3.03Å; E232-L235 PolarHBondContact O-N 2.93Å; V233-L235 VanDerWaalsContact C-N 3.33Å; V233-L235 PolarHBondContact O-N 3.38Å; L235-V237 VanDerWaalsContact C-N 3.31Å; L235-V237 PolarHBondContact O-N 3.17Å; L235-T238 PolarHBondContact O-N 2.76Å; L235-T238 PolarHBondContact O-OG1 2.95Å; L235-E239 PolarHBondContact O-N 3.19Å
236Y90.8Very high87.5Confident41 Ų4169.5 Ų69.516%0.16134%0.34CS..Hα-helixtrans-61.2-38.9177.5-77.6-78.9000112.5N193 I196 K197 I200 F228 E232 V233 E239 I240N193-Y236 PolarHBondContact OD1-OH 3Å; N193-Y236 VanDerWaalsContact OD1-OH 3.06Å; I196-Y236 HydrophobicContact CG2-CD1 4.17Å; I196-Y236 HydrophobicContact CG2-CD2 4.42Å; I196-Y236 HydrophobicContact CG2-CE1 4.08Å; I196-Y236 HydrophobicContact CG2-CE2 4.4Å; I196-Y236 HydrophobicContact CG2-CG 4.33Å; K197-Y236 HydrophobicContact CG-CD1 4.08Å; I200-Y236 VanDerWaalsContact CD1-CB 3.43Å; I200-Y236 HydrophobicContact CD1-CG 4.01Å; F228-Y236 HydrophobicContact CD1-CE2 4.39Å; F228-Y236 HydrophobicContact CE1-CD2 4.37Å; F228-Y236 AromaticContact CE1-CE2 3.74Å; F228-Y236 HydrophobicContact CE1-CE2 3.74Å; E232-Y236 VanDerWaalsContact O-CD2 3.24Å; E232-Y236 WeakPolarHBondContact O-CD2 3.45Å; E232-Y236 PolarHBondContact O-N 3.17Å; V233-Y236 PolarHBondContact O-N 3.38Å; Y236-E239 PolarHBondContact O-N 3.06Å; Y236-I240 WeakPolarHBondContact O-CB 3.26Å; Y236-I240 WeakPolarHBondContact O-CD1 3.48Å; Y236-I240 WeakPolarHBondContact O-CG1 3.39Å; Y236-I240 PolarHBondContact O-N 3.44Å
237V89.6Confident87.4Confident4 Ų467.7 Ų67.72%0.02434%0.341CS..Hα-helixtrans-62.2-45.7176.6172.10000110.8I200 L204 V233 E234 L235 E239 I240 E241I200-V237 HydrophobicContact CG2-CG2 3.7Å; L204-V237 HydrophobicContact CD1-CG1 4.4Å; V233-V237 HydrophobicContact CG1-CG2 4.33Å; V233-V237 WeakPolarHBondContact O-CG2 3.48Å; V233-V237 PolarHBondContact O-N 3.24Å; E234-V237 PolarHBondContact O-N 3.32Å; L235-V237 VanDerWaalsContact C-N 3.31Å; L235-V237 PolarHBondContact O-N 3.17Å; V237-E239 VanDerWaalsContact C-N 3.33Å; V237-E239 PolarHBondContact O-N 3.05Å; V237-I240 PolarHBondContact O-N 3.18Å; V237-E241 HydrophobicContact CG1-CG 4.46Å; V237-E241 WeakPolarHBondContact O-CG 3.46Å; V237-E241 PolarHBondContact O-N 3.42Å
238T89.5Confident87.3Confident52 Ų5271.9 Ų71.932%0.31936%0.36SS..Hα-helixtrans-64.8-35.3178.462.40000113E234 L235 K242E234-T238 WeakPolarHBondContact O-CG2 3.34Å; E234-T238 PolarHBondContact O-N 2.96Å; E234-T238 PolarHBondContact O-OG1 2.64Å; L235-T238 PolarHBondContact O-N 2.76Å; L235-T238 PolarHBondContact O-OG1 2.95Å; T238-K242 VanDerWaalsContact O-CG 3.3Å; T238-K242 WeakPolarHBondContact O-CG 3.42Å; T238-K242 PolarHBondContact O-N 2.84Å; T238-K242 VanDerWaalsContact O-N 3.12Å
239E89.9Confident87.1Confident85 Ų8576.1 Ų76.140%0.39738%0.378SS..Hα-helixtrans-63.8-44.6172.4-72.3-177.9-166.300111.5K197 L235 Y236 V237 E241 K242 E243K197-E239 WeakPolarHBondContact CE-OE2 3.47Å; K197-E239 IonicContact NZ-OE2 3.47Å; K197-E239 PolarHBondContact NZ-OE2 3.41Å; L235-E239 PolarHBondContact O-N 3.19Å; Y236-E239 PolarHBondContact O-N 3.06Å; V237-E239 VanDerWaalsContact C-N 3.33Å; V237-E239 PolarHBondContact O-N 3.05Å; E239-E241 VanDerWaalsContact C-N 3.35Å; E239-E241 PolarHBondContact O-N 3.47Å; E239-K242 PolarHBondContact O-N 3.29Å; E239-E243 WeakPolarHBondContact O-CG 3.46Å; E239-E243 PolarHBondContact O-N 3.18Å
240I89.3Confident86.6Confident0 Ų079.9 Ų79.90%039%0.387CS..Hα-helixtrans-63.7-40.7179.6-70.5163.6000111.4K197 I200 K201 L204 Y236 V237 E243 K244K197-I240 HydrophobicContact CB-CD1 4.31Å; K197-I240 HydrophobicContact CB-CG1 4.46Å; K197-I240 HydrophobicContact CG-CD1 4.26Å; K197-I240 HydrophobicContact CG-CG1 4.21Å; I200-I240 HydrophobicContact CB-CD1 3.73Å; I200-I240 HydrophobicContact CG2-CD1 3.51Å; K201-I240 HydrophobicContact CD-CG2 4.33Å; K201-I240 HydrophobicContact CG-CD1 4.09Å; K201-I240 HydrophobicContact CG-CG1 4.26Å; K201-I240 HydrophobicContact CG-CG2 3.64Å; L204-I240 HydrophobicContact CD1-CG2 4.19Å; Y236-I240 WeakPolarHBondContact O-CB 3.26Å; Y236-I240 WeakPolarHBondContact O-CD1 3.48Å; Y236-I240 WeakPolarHBondContact O-CG1 3.39Å; Y236-I240 PolarHBondContact O-N 3.44Å; V237-I240 PolarHBondContact O-N 3.18Å; I240-E243 PolarHBondContact O-N 2.87Å; I240-K244 WeakPolarHBondContact O-CG 3.42Å; I240-K244 PolarHBondContact O-N 3.37Å
241E87.1Confident86.2Confident96 Ų9684.5 Ų84.545%0.44940%0.397SS..Hα-helixtrans-64-44.6176.7-73.7174.7173.800111.2V237 E239 E243 K244 E245V237-E241 HydrophobicContact CG1-CG 4.46Å; V237-E241 WeakPolarHBondContact O-CG 3.46Å; V237-E241 PolarHBondContact O-N 3.42Å; E239-E241 VanDerWaalsContact C-N 3.35Å; E239-E241 PolarHBondContact O-N 3.47Å; E241-E243 PolarHBondContact O-N 3.16Å; E241-K244 PolarHBondContact O-N 2.93Å; E241-E245 PolarHBondContact O-N 3Å
242K88.4Confident85.4Confident130 Ų13079.9 Ų79.957%0.56539%0.385SS*.Hα-helixtrans-60.8-45.1174.3-71.7172-176.9176.20112.3T238 E239 K244 E245 E246T238-K242 VanDerWaalsContact O-CG 3.3Å; T238-K242 WeakPolarHBondContact O-CG 3.42Å; T238-K242 PolarHBondContact O-N 2.84Å; T238-K242 VanDerWaalsContact O-N 3.12Å; E239-K242 PolarHBondContact O-N 3.29Å; K242-K244 VanDerWaalsContact C-N 3.31Å; K242-K244 PolarHBondContact O-N 3.37Å; K242-E245 PolarHBondContact O-N 3.14Å; K242-E246 WeakPolarHBondContact O-CG 3.35Å; K242-E246 PolarHBondContact O-N 2.92Å
243E87.4Confident84.1Confident72 Ų7285.2 Ų85.234%0.33641%0.407SS..Hα-helixtrans-58.8-42.3175.7-76.4173.4-164.300111.8K197 K201 E239 I240 E241 A247K197-E243 IonicContact NZ-OE1 3.58Å; K197-E243 PolarHBondContact NZ-OE1 3.47Å; K201-E243 IonicContact NZ-OE2 2.6Å; K201-E243 PolarHBondContact NZ-OE2 2.68Å; E239-E243 WeakPolarHBondContact O-CG 3.46Å; E239-E243 PolarHBondContact O-N 3.18Å; I240-E243 PolarHBondContact O-N 2.87Å; E241-E243 PolarHBondContact O-N 3.16Å; E243-A247 WeakPolarHBondContact O-CB 3.34Å; E243-A247 PolarHBondContact O-N 3.29Å
244K84.7Confident82.6Confident83 Ų8394.1 Ų94.136%0.36145%0.446SS..Hα-helixtrans-63.8-48.1177.3-79.1-174.1174.6-168.80111.1E205 I240 E241 K242 E246 A247 E248E205-K244 IonicContact OE1-NZ 3.7Å; I240-K244 WeakPolarHBondContact O-CG 3.42Å; I240-K244 PolarHBondContact O-N 3.37Å; E241-K244 PolarHBondContact O-N 2.93Å; K242-K244 VanDerWaalsContact C-N 3.31Å; K242-K244 PolarHBondContact O-N 3.37Å; K244-E246 VanDerWaalsContact C-N 3.35Å; K244-E246 PolarHBondContact O-N 3.33Å; K244-A247 PolarHBondContact O-N 2.84Å; K244-E248 WeakPolarHBondContact O-CG 3.2Å; K244-E248 PolarHBondContact O-N 2.63Å
245E85.1Confident80.9Confident101 Ų10194.8 Ų94.847%0.47246%0.459SS..Hα-helixtrans-60.4-42.1177.3-74.7-171.9-163.400112.8E241 K242 E248 K249E241-E245 PolarHBondContact O-N 3Å; K242-E245 PolarHBondContact O-N 3.14Å; E245-E248 PolarHBondContact O-N 2.76Å; E245-K249 WeakPolarHBondContact O-CB 3.41Å; E245-K249 WeakPolarHBondContact O-CD 3.15Å; E245-K249 VanDerWaalsContact O-CG 3.24Å; E245-K249 WeakPolarHBondContact O-CG 3.48Å; E245-K249 PolarHBondContact O-N 2.97Å; E245-K249 IonicContact OE2-NZ 2.73Å; E245-K249 PolarHBondContact OE2-NZ 2.8Å; E245-K249 VanDerWaalsContact OE2-NZ 3.07Å
246E86.6Confident78.7Confident110 Ų11098 Ų9851%0.51448%0.483SS..Hα-helixtrans-66.5-39177.4-74.7-175.9-169.800112.2K242 K244 K249 K250K242-E246 WeakPolarHBondContact O-CG 3.35Å; K242-E246 PolarHBondContact O-N 2.92Å; K244-E246 VanDerWaalsContact C-N 3.35Å; K244-E246 PolarHBondContact O-N 3.33Å; E246-K249 PolarHBondContact O-N 2.93Å; E246-K250 WeakPolarHBondContact O-CB 3.49Å; E246-K250 VanDerWaalsContact O-CG 3.29Å; E246-K250 WeakPolarHBondContact O-CG 3.37Å; E246-K250 PolarHBondContact O-N 3.12Å
247A83.7Confident78.1Confident48 Ų48100.9 Ų100.940%0.39750%0.499SS..Hα-helixtrans-65.1-39.5175.500000111.8E243 K244 K250 K251E243-A247 WeakPolarHBondContact O-CB 3.34Å; E243-A247 PolarHBondContact O-N 3.29Å; K244-A247 PolarHBondContact O-N 2.84Å; A247-K250 PolarHBondContact O-N 3.23Å; A247-K251 WeakPolarHBondContact O-CG 3.46Å; A247-K251 PolarHBondContact O-N 3.15Å
248E82.6Confident77.5Confident133 Ų133105.9 Ų105.962%0.62152%0.524SS*.Hα-helixtrans-66.6-45.3174.6-74.5178.6179.300111.9K244 E245 K250 K251 S252K244-E248 WeakPolarHBondContact O-CG 3.2Å; K244-E248 PolarHBondContact O-N 2.63Å; E245-E248 PolarHBondContact O-N 2.76Å; E248-K250 VanDerWaalsContact C-N 3.27Å; E248-K250 PolarHBondContact O-N 2.81Å; E248-K251 PolarHBondContact O-N 3.39Å; E248-K251 VanDerWaalsContact O-N 3.15Å; E248-S252 PolarHBondContact O-N 3.39Å; E248-S252 PolarHBondContact O-OG 2.93Å
249K82Confident76.8Confident113 Ų113108.9 Ų108.949%0.49154%0.536SS..Hα-helixtrans-60.9-33.7174.4-73165.2-174157.30112.4E245 E246 S252 K253E245-K249 WeakPolarHBondContact O-CB 3.41Å; E245-K249 WeakPolarHBondContact O-CD 3.15Å; E245-K249 VanDerWaalsContact O-CG 3.24Å; E245-K249 WeakPolarHBondContact O-CG 3.48Å; E245-K249 PolarHBondContact O-N 2.97Å; E245-K249 IonicContact OE2-NZ 2.73Å; E245-K249 PolarHBondContact OE2-NZ 2.8Å; E245-K249 VanDerWaalsContact OE2-NZ 3.07Å; E246-K249 PolarHBondContact O-N 2.93Å; K249-S252 PolarHBondContact O-OG 2.88Å; K249-S252 VanDerWaalsContact O-OG 3.09Å; K249-K253 WeakPolarHBondContact O-CB 3.41Å; K249-K253 WeakPolarHBondContact O-CG 3.46Å; K249-K253 PolarHBondContact O-N 3.29Å
250K76.4Confident76.1Confident134 Ų134110.4 Ų110.458%0.58354%0.544SS*.Hα-helixtrans-75.3-34.2174.9-76.5171.5-178.2167.10112.5E246 A247 E248 K254E246-K250 WeakPolarHBondContact O-CB 3.49Å; E246-K250 VanDerWaalsContact O-CG 3.29Å; E246-K250 WeakPolarHBondContact O-CG 3.37Å; E246-K250 PolarHBondContact O-N 3.12Å; A247-K250 PolarHBondContact O-N 3.23Å; E248-K250 VanDerWaalsContact C-N 3.27Å; E248-K250 PolarHBondContact O-N 2.81Å; K250-K254 PolarHBondContact O-N 3.27Å
251K74.4Confident75.3Confident158 Ų158117.3 Ų117.369%0.68758%0.578SS**Hα-helixtrans-69-44174.3-79.3179.6179178.90111.5A247 E248 K253 K254 S255A247-K251 WeakPolarHBondContact O-CG 3.46Å; A247-K251 PolarHBondContact O-N 3.15Å; E248-K251 PolarHBondContact O-N 3.39Å; E248-K251 VanDerWaalsContact O-N 3.15Å; K251-K253 VanDerWaalsContact C-N 3.32Å; K251-K253 PolarHBondContact O-N 3.11Å; K251-K254 PolarHBondContact O-N 3.49Å; K251-K254 VanDerWaalsContact O-N 3.14Å; K251-S255 PolarHBondContact O-N 2.93Å; K251-S255 PolarHBondContact O-OG 3.36Å
252S68.3Low74.5Confident66 Ų66118.7 Ų118.746%0.46259%0.587SS.*Hα-helixtrans-65.7-32.4178630000113.2E248 K249 S255E248-S252 PolarHBondContact O-N 3.39Å; E248-S252 PolarHBondContact O-OG 2.93Å; K249-S252 PolarHBondContact O-OG 2.88Å; K249-S252 VanDerWaalsContact O-OG 3.09Å; S252-S255 WeakPolarHBondContact CA-OG 3.44Å; S252-S255 PolarHBondContact O-OG 3.29Å
253K62.6Low73.5Confident168 Ų168117.9 Ų117.973%0.7359%0.588SS**Hα-helixtrans-73.8-18.5172.8-78.3-177.2177.9-175.80115K249 K251K249-K253 WeakPolarHBondContact O-CB 3.41Å; K249-K253 WeakPolarHBondContact O-CG 3.46Å; K249-K253 PolarHBondContact O-N 3.29Å; K251-K253 VanDerWaalsContact C-N 3.32Å; K251-K253 PolarHBondContact O-N 3.11Å
254K57.5Low72.4Confident188 Ų188121.4 Ų121.482%0.81761%0.608SS**Hα-helixtrans-91.9-14176.5-81.1-174.8175.4-173.90113.2K250 K251K250-K254 PolarHBondContact O-N 3.27Å; K251-K254 PolarHBondContact O-N 3.49Å; K251-K254 VanDerWaalsContact O-N 3.14Å
255S54Low71.4Confident97 Ų97124.6 Ų124.668%0.67863%0.628SS**  trans-967.417854.90000113.7K251 S252K251-S255 PolarHBondContact O-N 2.93Å; K251-S255 PolarHBondContact O-OG 3.36Å; S252-S255 WeakPolarHBondContact CA-OG 3.44Å; S252-S255 PolarHBondContact O-OG 3.29Å
256V43.4Very low70.1Confident179 Ų179126.7 Ų126.7100%1.08564%0.642SS**  trans-115.30170.5-177.80000107.3

Retrieved 256 of 256 residues in 477.1 ms (Link to these results)

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