A0A096NMQ4_PAPAN Loading...

Inositol polyphosphate 1-phosphatase

Mg(2+)-dependent phosphatase that catalyzes the hydrolysis of the 1-position phosphate from inositol 1,4-bisphosphate and inositol 1,3,4-trisphosphate and participates in inositol phosphate metabolism.

AlphaFold DB (A0A2K5YHX1), UniProt , Accession A0A096NMQ4, Species PAPAN (Papio anubis, Olive baboon), Gene INPP1, Length 399 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
1M50.3Low86.5Confident134 Ų13431 Ų3166%0.6615%0.154SC*.  0-1.90-78.7-163.1-129.100115.2D3 I141 N142M1-D3 VanDerWaalsContact CA-CG 3.42Å; M1-D3 WeakPolarHBondContact CA-OD1 3.09Å; M1-D3 WeakPolarHBondContact CA-OD2 3.41Å; M1-D3 PolarHBondContact N-OD1 3.03Å; M1-D3 PolarHBondContact N-OD2 2.82Å; M1-D3 PolarHBondContact O-N 2.6Å; M1-I141 CarbonylContact C-O 3.46Å; M1-N142 HydrophobicContact CB-CB 4.27Å; M1-N142 HydrophobicContact SD-CB 3.8Å; M1-N142 PolarHBondContact SD-ND2 2.88Å
2S68.8Low87.4Confident13 Ų1328.4 Ų28.49%0.09114%0.141CC..  trans-73.826.515352.10000112.5I4 L5 R6 L136 T139S2-I4 PolarHBondContact O-N 2.84Å; S2-L5 PolarHBondContact O-N 3.17Å; S2-R6 PolarHBondContact O-N 2.62Å; S2-L136 PolarHBondContact OG-O 2.81Å; S2-T139 PolarHBondContact OG-O 3.17Å
3D85.6Confident88Confident67 Ų6729.3 Ų29.336%0.35815%0.145SC..Hα-helixtrans-76.2-32.2-155.5-54.7-26.1000111.7M1 E7 F69M1-D3 VanDerWaalsContact CA-CG 3.42Å; M1-D3 WeakPolarHBondContact CA-OD1 3.09Å; M1-D3 WeakPolarHBondContact CA-OD2 3.41Å; M1-D3 PolarHBondContact N-OD1 3.03Å; M1-D3 PolarHBondContact N-OD2 2.82Å; M1-D3 PolarHBondContact O-N 2.6Å; D3-E7 WeakPolarHBondContact O-CB 3.43Å; D3-E7 PolarHBondContact O-N 3.3Å; D3-F69 HydrophobicContact CB-CE1 4.33Å; D3-F69 HydrophobicContact CB-CZ 4.1Å
4I91.3Very high88.5Confident16 Ų1628.4 Ų28.48%0.08214%0.14CC..Hα-helixtrans-63.5-52.9174.1-65.4177.5000109.7S2 R6 E7 L8 M65 F69 L148 M198S2-I4 PolarHBondContact O-N 2.84Å; I4-R6 VanDerWaalsContact C-N 3.31Å; I4-R6 PolarHBondContact O-N 3.39Å; I4-E7 PolarHBondContact O-N 3.46Å; I4-E7 VanDerWaalsContact O-N 3.14Å; I4-L8 HydrophobicContact CG2-CD1 4.02Å; I4-L8 HydrophobicContact CG2-CG 4.33Å; I4-L8 VanDerWaalsContact O-CG 3.26Å; I4-L8 WeakPolarHBondContact O-CG 3.45Å; I4-L8 PolarHBondContact O-N 3.23Å; I4-M65 HydrophobicContact CG2-CE 4.02Å; I4-F69 HydrophobicContact CB-CZ 4.37Å; I4-F69 HydrophobicContact CG1-CD1 3.99Å; I4-F69 HydrophobicContact CG1-CD2 4.39Å; I4-F69 HydrophobicContact CG1-CE1 3.67Å; I4-F69 HydrophobicContact CG1-CE2 4.1Å; I4-F69 HydrophobicContact CG1-CG 4.34Å; I4-F69 HydrophobicContact CG1-CZ 3.74Å; I4-L148 HydrophobicContact CD1-CD1 3.42Å; I4-L148 VanDerWaalsContact CD1-CD1 3.42Å; I4-M198 HydrophobicContact CG2-CE 4.11Å
5L92.4Very high89Confident1 Ų126.5 Ų26.51%0.00513%0.13CC..Hα-helixtrans-63.1-37.8179.7-177.655.4000112.1S2 L8 L9 L136 M198 V200 W221 L223S2-L5 PolarHBondContact O-N 3.17Å; L5-L8 PolarHBondContact O-N 2.82Å; L5-L9 HydrophobicContact CG-CD1 4.49Å; L5-L9 VanDerWaalsContact O-CG 3.32Å; L5-L9 WeakPolarHBondContact O-CG 3.41Å; L5-L9 PolarHBondContact O-N 3.37Å; L5-L136 HydrophobicContact CD2-CD2 3.62Å; L5-L136 HydrophobicContact CG-CD1 4.44Å; L5-L136 HydrophobicContact CG-CD2 4.18Å; L5-M198 HydrophobicContact CB-SD 4.04Å; L5-V200 HydrophobicContact CD1-CG2 3.75Å; L5-W221 HydrophobicContact CD1-CB 4.33Å; L5-W221 HydrophobicContact CD2-CD2 4.45Å; L5-W221 HydrophobicContact CD2-CE3 3.8Å; L5-W221 HydrophobicContact CD2-CZ3 4.3Å; L5-L223 HydrophobicContact CD2-CB 4.16Å; L5-L223 HydrophobicContact CD2-CD1 4.25Å
6R91.7Very high89.4Confident68 Ų6824.9 Ų24.926%0.25712%0.122SC..Hα-helixtrans-60.9-45.5173.2-175.5-175.8-65-101.9-0.7111.6S2 I4 L9 C10 D137S2-R6 PolarHBondContact O-N 2.62Å; I4-R6 VanDerWaalsContact C-N 3.31Å; I4-R6 PolarHBondContact O-N 3.39Å; R6-L9 WeakPolarHBondContact O-CB 3.13Å; R6-L9 PolarHBondContact O-N 3.32Å; R6-C10 PolarHBondContact O-N 3.41Å; R6-C10 VanDerWaalsContact O-N 3.12Å; R6-C10 PolarHBondContact O-SG 2.81Å; R6-D137 IonicContact CZ-OD1 3.15Å; R6-D137 IonicContact NH1-OD1 3.15Å; R6-D137 PolarHBondContact NH1-OD1 3.37Å; R6-D137 IonicContact NH2-OD1 2.62Å; R6-D137 PolarHBondContact NH2-OD1 2.74Å
7E92.9Very high89.7Confident21 Ų2126 Ų2610%0.09813%0.129CC..Hα-helixtrans-64.2-43.4177.4-170.261.8-162.300111.3D3 I4 L9 C10 V11 M65 K68 F69D3-E7 WeakPolarHBondContact O-CB 3.43Å; D3-E7 PolarHBondContact O-N 3.3Å; I4-E7 PolarHBondContact O-N 3.46Å; I4-E7 VanDerWaalsContact O-N 3.14Å; E7-L9 PolarHBondContact O-N 3.37Å; E7-C10 WeakPolarHBondContact O-CB 3.47Å; E7-C10 PolarHBondContact O-N 3.37Å; E7-V11 HydrophobicContact CG-CG1 4.17Å; E7-V11 WeakPolarHBondContact O-CG1 3.23Å; E7-V11 WeakPolarHBondContact O-CG2 3.48Å; E7-V11 PolarHBondContact O-N 3.48Å; E7-M65 HydrophobicContact CB-SD 3.98Å; E7-M65 HydrophobicContact CG-SD 3.54Å; E7-M65 VanDerWaalsContact CG-SD 3.54Å; E7-K68 HydrophobicContact CB-CD 4.08Å; E7-K68 VanDerWaalsContact CD-CD 3.4Å; E7-K68 HydrophobicContact CG-CD 3.7Å; E7-K68 WeakPolarHBondContact OE2-CD 3.23Å; E7-K68 WeakPolarHBondContact OE2-CE 3.43Å; E7-K68 IonicContact OE2-NZ 2.6Å; E7-K68 PolarHBondContact OE2-NZ 2.81Å; E7-F69 HydrophobicContact CB-CE2 3.76Å; E7-F69 HydrophobicContact CB-CZ 4.4Å; E7-F69 HydrophobicContact CG-CE2 4.09Å
8L95.1Very high89.8Confident0 Ų024.6 Ų24.60%012%0.122CC..Hα-helixtrans-54.5-38.5175.3-71.6176.9000112.1I4 L5 V11 S12 M65 I150 I186 V188 V200I4-L8 HydrophobicContact CG2-CD1 4.02Å; I4-L8 HydrophobicContact CG2-CG 4.33Å; I4-L8 VanDerWaalsContact O-CG 3.26Å; I4-L8 WeakPolarHBondContact O-CG 3.45Å; I4-L8 PolarHBondContact O-N 3.23Å; L5-L8 PolarHBondContact O-N 2.82Å; L8-V11 WeakPolarHBondContact O-CG2 3.42Å; L8-S12 WeakPolarHBondContact O-CB 3.08Å; L8-S12 PolarHBondContact O-N 2.82Å; L8-S12 PolarHBondContact O-OG 3.32Å; L8-M65 HydrophobicContact CD2-CE 3.8Å; L8-M65 HydrophobicContact CD2-CG 4.34Å; L8-M65 HydrophobicContact CD2-SD 3.79Å; L8-M65 HydrophobicContact CG-CE 4.06Å; L8-M65 HydrophobicContact CG-SD 4.3Å; L8-I150 HydrophobicContact CD2-CD1 4.42Å; L8-I186 HydrophobicContact CD2-CG2 3.6Å; L8-V188 HydrophobicContact CD1-CG2 3.43Å; L8-V188 VanDerWaalsContact CD1-CG2 3.43Å; L8-V200 HydrophobicContact CB-CG2 3.91Å
9L94.8Very high90.1Very high0 Ų023.3 Ų23.30%012%0.115CC..Hα-helixtrans-66.9-47.9175-71.5163.5000112.2L5 R6 E7 V11 S12 E13 F131 L136 V200 C219 W221L5-L9 HydrophobicContact CG-CD1 4.49Å; L5-L9 VanDerWaalsContact O-CG 3.32Å; L5-L9 WeakPolarHBondContact O-CG 3.41Å; L5-L9 PolarHBondContact O-N 3.37Å; R6-L9 WeakPolarHBondContact O-CB 3.13Å; R6-L9 PolarHBondContact O-N 3.32Å; E7-L9 PolarHBondContact O-N 3.37Å; L9-V11 PolarHBondContact O-N 2.9Å; L9-S12 PolarHBondContact O-N 3.43Å; L9-S12 PolarHBondContact O-OG 3Å; L9-E13 PolarHBondContact O-N 3.27Å; L9-F131 HydrophobicContact CB-CB 4.37Å; L9-F131 HydrophobicContact CB-CD1 3.72Å; L9-F131 HydrophobicContact CB-CE1 4.1Å; L9-F131 HydrophobicContact CB-CG 3.98Å; L9-F131 HydrophobicContact CD1-CD1 3.85Å; L9-F131 HydrophobicContact CD1-CE1 3.69Å; L9-F131 HydrophobicContact CD2-CE1 4.04Å; L9-F131 HydrophobicContact CD2-CZ 4.2Å; L9-F131 HydrophobicContact CG-CD1 4.25Å; L9-F131 HydrophobicContact CG-CE1 4.17Å; L9-L136 HydrophobicContact CD1-CD1 3.15Å; L9-V200 HydrophobicContact CD2-CG1 4Å; L9-V200 HydrophobicContact CD2-CG2 4.13Å; L9-V200 HydrophobicContact CG-CG2 4.32Å; L9-C219 WeakPolarHBondContact CD2-SG 3.31Å; L9-W221 HydrophobicContact CD1-CG 4.26Å; L9-W221 HydrophobicContact CD2-CB 3.99Å; L9-W221 HydrophobicContact CD2-CG 4.13Å
10C94.3Very high90.2Very high20 Ų2023.4 Ų23.414%0.13511%0.114CC..Hα-helixtrans-58.3-48.4176.6-66.80000111.7R6 E7 S12 E13 K14R6-C10 PolarHBondContact O-N 3.41Å; R6-C10 VanDerWaalsContact O-N 3.12Å; R6-C10 PolarHBondContact O-SG 2.81Å; E7-C10 WeakPolarHBondContact O-CB 3.47Å; E7-C10 PolarHBondContact O-N 3.37Å; C10-S12 PolarHBondContact O-N 3.34Å; C10-E13 PolarHBondContact O-N 3.19Å; C10-K14 PolarHBondContact O-N 3.25Å
11V94.8Very high90.1Very high1 Ų123 Ų231%0.00612%0.115CC..Hα-helixtrans-69.8-31.8179.9-55.80000112.1E7 L8 L9 E13 K14 A15 I61 N64 M65 I186E7-V11 HydrophobicContact CG-CG1 4.17Å; E7-V11 WeakPolarHBondContact O-CG1 3.23Å; E7-V11 WeakPolarHBondContact O-CG2 3.48Å; E7-V11 PolarHBondContact O-N 3.48Å; L8-V11 WeakPolarHBondContact O-CG2 3.42Å; L9-V11 PolarHBondContact O-N 2.9Å; V11-E13 VanDerWaalsContact C-N 3.33Å; V11-E13 PolarHBondContact O-N 3.38Å; V11-K14 WeakPolarHBondContact O-CB 3.38Å; V11-K14 PolarHBondContact O-N 2.93Å; V11-A15 WeakPolarHBondContact O-CB 3.43Å; V11-A15 PolarHBondContact O-N 3.06Å; V11-I61 HydrophobicContact CB-CG1 4.37Å; V11-I61 HydrophobicContact CG2-CG1 4.22Å; V11-I61 HydrophobicContact CG2-CG2 4.3Å; V11-N64 HydrophobicContact CG1-CB 3.44Å; V11-N64 VanDerWaalsContact CG1-CB 3.44Å; V11-M65 HydrophobicContact CG2-SD 4.49Å; V11-I186 HydrophobicContact CG2-CD1 4.13Å
12S96.7Very high91.9Very high0 Ų017 Ų170%09%0.086CC..Hα-helixtrans-64.8-37.217379.50000112.1L8 L9 C10 A15 A16 N202L8-S12 WeakPolarHBondContact O-CB 3.08Å; L8-S12 PolarHBondContact O-N 2.82Å; L8-S12 PolarHBondContact O-OG 3.32Å; L9-S12 PolarHBondContact O-N 3.43Å; L9-S12 PolarHBondContact O-OG 3Å; C10-S12 PolarHBondContact O-N 3.34Å; S12-A15 WeakPolarHBondContact O-CB 3.35Å; S12-A15 PolarHBondContact O-N 2.83Å; S12-A16 WeakPolarHBondContact O-CB 3.24Å; S12-A16 PolarHBondContact O-N 3.4Å; S12-N202 PolarHBondContact O-ND2 3.08Å; S12-N202 PolarHBondContact OG-ND2 2.92Å
13E95.7Very high92.7Very high40 Ų4018 Ų1819%0.1879%0.088CC..Hα-helixtrans-75.4-34.9178.3-173.859.2-15100111.3L9 C10 V11 A16 N17 R20 V129 N202L9-E13 PolarHBondContact O-N 3.27Å; C10-E13 PolarHBondContact O-N 3.19Å; V11-E13 VanDerWaalsContact C-N 3.33Å; V11-E13 PolarHBondContact O-N 3.38Å; E13-A16 PolarHBondContact O-N 3.28Å; E13-N17 PolarHBondContact O-N 2.96Å; E13-N17 PolarHBondContact O-ND2 3.45Å; E13-R20 IonicContact OE1-CZ 2.82Å; E13-R20 IonicContact OE1-NH1 3.26Å; E13-R20 IonicContact OE1-NH2 3.84Å; E13-R20 PolarHBondContact OE1-NH2 2.91Å; E13-V129 HydrophobicContact CB-CG1 3.89Å; E13-V129 HydrophobicContact CG-CG1 3.75Å; E13-N202 WeakPolarHBondContact CA-ND2 2.98Å; E13-N202 PolarHBondContact OE2-ND2 3.48Å
14K94.8Very high92.4Very high17 Ų1722.2 Ų22.27%0.07411%0.105CC..Hα-helixtrans-60-46.1169-165.2174.2-177.3-174.10111.2C10 V11 A16 N17 I18 V60 N64 V125 Q127 V129C10-K14 PolarHBondContact O-N 3.25Å; V11-K14 WeakPolarHBondContact O-CB 3.38Å; V11-K14 PolarHBondContact O-N 2.93Å; K14-A16 VanDerWaalsContact C-N 3.33Å; K14-A16 PolarHBondContact O-N 3.33Å; K14-N17 WeakPolarHBondContact O-CB 3.32Å; K14-N17 PolarHBondContact O-N 3.28Å; K14-N17 VanDerWaalsContact O-N 3.16Å; K14-I18 WeakPolarHBondContact O-CG1 3.46Å; K14-I18 PolarHBondContact O-N 3.43Å; K14-V60 HydrophobicContact CD-CG1 3.8Å; K14-V60 HydrophobicContact CG-CG1 4.16Å; K14-N64 PolarHBondContact NZ-OD1 2.93Å; K14-V125 VanDerWaalsContact CE-C 3.49Å; K14-V125 WeakPolarHBondContact CE-O 3.43Å; K14-V125 PolarHBondContact NZ-O 3.26Å; K14-Q127 WeakPolarHBondContact CE-O 3.22Å; K14-V129 HydrophobicContact CB-CG2 4.02Å; K14-V129 HydrophobicContact CG-CG2 4.33Å
15A95.4Very high91.5Very high0 Ų025.6 Ų25.60%012%0.12CC..Hα-helixtrans-58.5-42.9172.400000112.3V11 S12 N17 I18 A19 V57 I61 I184V11-A15 WeakPolarHBondContact O-CB 3.43Å; V11-A15 PolarHBondContact O-N 3.06Å; S12-A15 WeakPolarHBondContact O-CB 3.35Å; S12-A15 PolarHBondContact O-N 2.83Å; A15-N17 VanDerWaalsContact C-N 3.3Å; A15-N17 PolarHBondContact O-N 3.39Å; A15-I18 WeakPolarHBondContact O-CB 3.48Å; A15-I18 PolarHBondContact O-N 3.38Å; A15-I18 VanDerWaalsContact O-N 3.16Å; A15-A19 PolarHBondContact O-N 3.32Å; A15-V57 HydrophobicContact CB-CB 4.31Å; A15-V57 HydrophobicContact CB-CG1 3.47Å; A15-V57 VanDerWaalsContact CB-CG1 3.47Å; A15-V57 HydrophobicContact CB-CG2 4Å; A15-I61 HydrophobicContact CB-CD1 4.3Å; A15-I184 HydrophobicContact CB-CD1 3.74Å; A15-I184 HydrophobicContact CB-CG1 4.39Å; A15-I184 HydrophobicContact CB-CG2 4.23Å
16A95.8Very high90.4Very high0 Ų031.8 Ų31.80%015%0.149CC..Hα-helixtrans-64-35.5176.300000112.4S12 E13 K14 R20 I184 P204S12-A16 WeakPolarHBondContact O-CB 3.24Å; S12-A16 PolarHBondContact O-N 3.4Å; E13-A16 PolarHBondContact O-N 3.28Å; K14-A16 VanDerWaalsContact C-N 3.33Å; K14-A16 PolarHBondContact O-N 3.33Å; A16-R20 WeakPolarHBondContact O-CB 2.74Å; A16-R20 WeakPolarHBondContact O-CG 3.5Å; A16-R20 PolarHBondContact O-N 3.27Å; A16-R20 PolarHBondContact O-NE 3.45Å; A16-I184 VanDerWaalsContact CA-CD1 3.45Å; A16-I184 HydrophobicContact CB-CD1 3.72Å; A16-P204 HydrophobicContact CB-CB 3.98Å; A16-P204 HydrophobicContact CB-CG 4.08Å
17N94.1Very high89.2Confident44 Ų4432.7 Ų32.724%0.23517%0.171CC..Hα-helixtrans-64.4-41.6172.8-71.7-35.3000111.9E13 K14 A15 R20 A21 V124E13-N17 PolarHBondContact O-N 2.96Å; E13-N17 PolarHBondContact O-ND2 3.45Å; K14-N17 WeakPolarHBondContact O-CB 3.32Å; K14-N17 PolarHBondContact O-N 3.28Å; K14-N17 VanDerWaalsContact O-N 3.16Å; A15-N17 VanDerWaalsContact C-N 3.3Å; A15-N17 PolarHBondContact O-N 3.39Å; N17-R20 PolarHBondContact O-N 3.12Å; N17-R20 PolarHBondContact OD1-NH2 3.17Å; N17-A21 VanDerWaalsContact O-CB 3.26Å; N17-A21 WeakPolarHBondContact O-CB 3.5Å; N17-A21 PolarHBondContact O-N 3.24Å; N17-V124 HydrophobicContact CB-CG1 3.67Å
18I92.6Very high88Confident0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-61.8-50.7175.5-63.8166.7000110.1K14 A15 R20 A21 C22 L56 V57 V60 V124 V125K14-I18 WeakPolarHBondContact O-CG1 3.46Å; K14-I18 PolarHBondContact O-N 3.43Å; A15-I18 WeakPolarHBondContact O-CB 3.48Å; A15-I18 PolarHBondContact O-N 3.38Å; A15-I18 VanDerWaalsContact O-N 3.16Å; I18-R20 VanDerWaalsContact C-N 3.28Å; I18-R20 PolarHBondContact O-N 2.84Å; I18-A21 PolarHBondContact O-N 3.36Å; I18-C22 PolarHBondContact O-N 2.91Å; I18-C22 PolarHBondContact O-SG 3.19Å; I18-L56 HydrophobicContact CD1-CG 4.45Å; I18-L56 HydrophobicContact CG2-CD2 3.9Å; I18-L56 HydrophobicContact CG2-CG 4.34Å; I18-V57 HydrophobicContact CB-CG2 4.06Å; I18-V57 HydrophobicContact CD1-CG2 4.42Å; I18-V57 HydrophobicContact CG2-CG2 3.98Å; I18-V60 HydrophobicContact CD1-CB 4.24Å; I18-V60 HydrophobicContact CD1-CG1 4.33Å; I18-V60 HydrophobicContact CD1-CG2 3.51Å; I18-V124 HydrophobicContact CB-CG1 4.49Å; I18-V124 HydrophobicContact CG1-CG1 3.75Å; I18-V125 HydrophobicContact CD1-CG2 3.81Å; I18-V125 HydrophobicContact CG1-CG2 4.13Å
19A94Very high87.2Confident0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-57.2-41.6177.600000112A15 I155 Y161 P204A15-A19 PolarHBondContact O-N 3.32Å; A19-I155 HydrophobicContact CB-CD1 4.33Å; A19-Y161 WeakPolarHBondContact CA-OH 3.11Å; A19-Y161 HydrophobicContact CB-CE2 4.25Å; A19-Y161 PolarHBondContact O-OH 2.69Å; A19-P204 HydrophobicContact CB-CB 4.42Å; A19-P204 HydrophobicContact CB-CG 4.28Å
20R92.6Very high86.1Confident26 Ų2638.3 Ų38.310%0.09820%0.199CC..Hα-helixtrans-65.6-43.9174-75.1-178.4-70.9-102.44112E13 A16 N17 I18 R23 Q24 P204 F205 W215E13-R20 IonicContact OE1-CZ 2.82Å; E13-R20 IonicContact OE1-NH1 3.26Å; E13-R20 IonicContact OE1-NH2 3.84Å; E13-R20 PolarHBondContact OE1-NH2 2.91Å; A16-R20 WeakPolarHBondContact O-CB 2.74Å; A16-R20 WeakPolarHBondContact O-CG 3.5Å; A16-R20 PolarHBondContact O-N 3.27Å; A16-R20 PolarHBondContact O-NE 3.45Å; N17-R20 PolarHBondContact O-N 3.12Å; N17-R20 PolarHBondContact OD1-NH2 3.17Å; I18-R20 VanDerWaalsContact C-N 3.28Å; I18-R20 PolarHBondContact O-N 2.84Å; R20-R23 PolarHBondContact O-N 2.85Å; R20-Q24 WeakPolarHBondContact O-CG 3.33Å; R20-Q24 PolarHBondContact O-N 3.31Å; R20-P204 HydrophobicContact CG-CB 4.28Å; R20-P204 PolarHBondContact NH1-O 3.29Å; R20-F205 HydrophobicContact CB-CE1 4.41Å; R20-F205 HydrophobicContact CG-CD1 4.23Å; R20-F205 HydrophobicContact CG-CE1 3.69Å; R20-F205 HydrophobicContact CG-CZ 4.15Å; R20-W215 HydrophobicContact CG-CB 4.36Å
21A89.1Confident84.9Confident16 Ų1641 Ų4113%0.13221%0.211CC..Hα-helixtrans-64.1-44.6-177.400000112.1N17 I18 R23 Q24 L121 V124N17-A21 VanDerWaalsContact O-CB 3.26Å; N17-A21 WeakPolarHBondContact O-CB 3.5Å; N17-A21 PolarHBondContact O-N 3.24Å; I18-A21 PolarHBondContact O-N 3.36Å; A21-R23 PolarHBondContact O-N 3.37Å; A21-Q24 WeakPolarHBondContact O-CB 3.5Å; A21-Q24 PolarHBondContact O-N 3.03Å; A21-L121 HydrophobicContact CB-CD2 4.15Å; A21-V124 HydrophobicContact CB-CG1 4.47Å; A21-V124 HydrophobicContact CB-CG2 4Å
22C87.3Confident84.1Confident6 Ų641.2 Ų41.24%0.04121%0.212CC..Hα-helixtrans-56-33.5175.5-730000112.5I18 F29 L32 A53 L121 Y161I18-C22 PolarHBondContact O-N 2.91Å; I18-C22 PolarHBondContact O-SG 3.19Å; C22-F29 HydrophobicContact CB-CD2 4.29Å; C22-F29 WeakPolarHBondContact O-CD2 3.47Å; C22-L32 HydrophobicContact CB-CD1 4.19Å; C22-A53 HydrophobicContact CB-CB 4.16Å; C22-L121 VanDerWaalsContact SG-CD2 3.51Å; C22-Y161 VanDerWaalsContact CB-OH 3.23Å; C22-Y161 WeakPolarHBondContact CB-OH 3.42Å
23R85.7Confident83.3Confident36 Ų3643 Ų4314%0.13622%0.221CC..THydrogen-bonded Turntrans-87.1-4.3177.9-69.3-157.562.774.712.2115.3R20 A21 Q25 F29 Y161 I162 F205R20-R23 PolarHBondContact O-N 2.85Å; A21-R23 PolarHBondContact O-N 3.37Å; R23-Q25 PolarHBondContact O-N 3.15Å; R23-F29 HydrophobicContact CG-CD2 4.05Å; R23-F29 HydrophobicContact CG-CE2 4.01Å; R23-Y161 HydrophobicContact CG-CD2 4.23Å; R23-Y161 HydrophobicContact CG-CE2 3.47Å; R23-Y161 VanDerWaalsContact CG-CE2 3.47Å; R23-Y161 PolarHBondContact NH1-O 2.9Å; R23-I162 PolarHBondContact NH1-O 3.3Å; R23-F205 HydrophobicContact CG-CZ 4.43Å
24Q78.7Confident82.4Confident155 Ų15542 Ų4272%0.72422%0.217SC*.THydrogen-bonded Turntrans-69.1-22.7178-71.7-1809.300112.7R20 A21R20-Q24 WeakPolarHBondContact O-CG 3.33Å; R20-Q24 PolarHBondContact O-N 3.31Å; A21-Q24 WeakPolarHBondContact O-CB 3.5Å; A21-Q24 PolarHBondContact O-N 3.03Å
25Q72.3Confident81.8Confident86 Ų8645.9 Ų45.940%0.40224%0.235SC..  trans-124.391.4178.6-61.1-167.526.200110.6R23 A27 L28 F29R23-Q25 PolarHBondContact O-N 3.15Å; Q25-A27 VanDerWaalsContact C-N 3.29Å; Q25-A27 PolarHBondContact O-N 2.78Å; Q25-L28 HydrophobicContact CB-CB 4.18Å; Q25-L28 HydrophobicContact CB-CD1 4.12Å; Q25-L28 HydrophobicContact CB-CG 4.17Å; Q25-L28 PolarHBondContact O-N 2.9Å; Q25-F29 PolarHBondContact O-N 3.08Å
26E69.8Low81.1Confident131 Ų13146.2 Ų46.261%0.61224%0.237SC*.Hα-helixtrans-59.5-36.4-173.5-170.9158.1-14500113.7L28 F29E26-L28 VanDerWaalsContact C-N 3.27Å; E26-L28 PolarHBondContact O-N 3.46Å; E26-F29 PolarHBondContact O-N 2.92Å
27A66.4Low80.3Confident87 Ų8750.2 Ų50.272%0.71925%0.254SS*.Hα-helixtrans-64.3-31176.400000113.1Q25Q25-A27 VanDerWaalsContact C-N 3.29Å; Q25-A27 PolarHBondContact O-N 2.78Å
28L67.6Low79.4Confident30 Ų3055.1 Ų55.116%0.15728%0.276CS..Hα-helixtrans-86.9-31.9177.5-61.4-174000111.9Q25 E26 Q30 L31 L32 N114 A117Q25-L28 HydrophobicContact CB-CB 4.18Å; Q25-L28 HydrophobicContact CB-CD1 4.12Å; Q25-L28 HydrophobicContact CB-CG 4.17Å; Q25-L28 PolarHBondContact O-N 2.9Å; E26-L28 VanDerWaalsContact C-N 3.27Å; E26-L28 PolarHBondContact O-N 3.46Å; L28-Q30 PolarHBondContact O-N 3Å; L28-L31 HydrophobicContact CD2-CD1 4.16Å; L28-L31 WeakPolarHBondContact O-CB 3.46Å; L28-L31 PolarHBondContact O-N 2.84Å; L28-L32 WeakPolarHBondContact O-CG 3.42Å; L28-N114 WeakPolarHBondContact CD1-ND2 3.19Å; L28-N114 WeakPolarHBondContact CD2-ND2 3.18Å; L28-A117 HydrophobicContact CD1-CB 3.41Å; L28-A117 VanDerWaalsContact CD1-CB 3.41Å
29F77.9Confident78.5Confident0 Ų062.9 Ų62.90%031%0.312CS..Hα-helixtrans-55.7-36.4179-176.1-95.6000112.5C22 R23 Q25 E26 L31 L32 I33 T51 Y161 I162C22-F29 HydrophobicContact CB-CD2 4.29Å; C22-F29 WeakPolarHBondContact O-CD2 3.47Å; R23-F29 HydrophobicContact CG-CD2 4.05Å; R23-F29 HydrophobicContact CG-CE2 4.01Å; Q25-F29 PolarHBondContact O-N 3.08Å; E26-F29 PolarHBondContact O-N 2.92Å; F29-L31 PolarHBondContact O-N 3.46Å; F29-L32 HydrophobicContact CD2-CD1 4.35Å; F29-L32 WeakPolarHBondContact O-CB 3.22Å; F29-L32 PolarHBondContact O-N 2.92Å; F29-I33 HydrophobicContact CD1-CD1 4.35Å; F29-I33 HydrophobicContact CE1-CD1 3.97Å; F29-I33 HydrophobicContact CE1-CG1 4.29Å; F29-T51 HydrophobicContact CZ-CG2 4.17Å; F29-Y161 HydrophobicContact CE2-CD1 4.1Å; F29-Y161 AromaticContact CE2-CE1 3.39Å; F29-Y161 HydrophobicContact CE2-CE1 3.39Å; F29-Y161 HydrophobicContact CE2-CE2 4.48Å; F29-Y161 AromaticContact CE2-CZ 3.62Å; F29-Y161 AromaticContact CZ-CD1 3.81Å; F29-Y161 HydrophobicContact CZ-CD1 3.81Å; F29-Y161 AromaticContact CZ-CE1 3.59Å; F29-Y161 HydrophobicContact CZ-CE1 3.59Å; F29-I162 HydrophobicContact CE1-CB 4.26Å; F29-I162 HydrophobicContact CE1-CG1 4.08Å; F29-I162 HydrophobicContact CE1-CG2 4.42Å; F29-I162 HydrophobicContact CZ-CG1 4.12Å
30Q73.3Confident77.6Confident110 Ų11065.1 Ų65.151%0.51432%0.322SS..G310 helixtrans-63.8-28.1176.8-65.2-59-39.200113.4L28 L32L28-Q30 PolarHBondContact O-N 3Å; Q30-L32 PolarHBondContact O-N 3.49Å
31L67.3Low76.9Confident76 Ų7665 Ų6540%0.39832%0.323SS..G310 helixtrans-79.2-3.6175.4-54.4173.7000112.3L28 F29L28-L31 HydrophobicContact CD2-CD1 4.16Å; L28-L31 WeakPolarHBondContact O-CB 3.46Å; L28-L31 PolarHBondContact O-N 2.84Å; F29-L31 PolarHBondContact O-N 3.46Å
32L78.1Confident76.2Confident6 Ų665.1 Ų65.13%0.03132%0.321CS..G310 helixtrans-100.910.4-177.8-48.9-173.4000112.3C22 L28 F29 Q30 T51 L52 L111C22-L32 HydrophobicContact CB-CD1 4.19Å; L28-L32 WeakPolarHBondContact O-CG 3.42Å; F29-L32 HydrophobicContact CD2-CD1 4.35Å; F29-L32 WeakPolarHBondContact O-CB 3.22Å; F29-L32 PolarHBondContact O-N 2.92Å; Q30-L32 PolarHBondContact O-N 3.49Å; L32-T51 CarbonylContact O-C 3.54Å; L32-T51 WeakPolarHBondContact O-CA 3.35Å; L32-T51 WeakPolarHBondContact O-CB 3.36Å; L32-L52 HydrophobicContact CB-CB 4Å; L32-L52 HydrophobicContact CD2-CB 4.26Å; L32-L52 HydrophobicContact CD2-CD2 3.89Å; L32-L52 PolarHBondContact O-N 3.1Å; L32-L111 HydrophobicContact CD2-CD2 3.07Å
33I81Confident75.9Confident37 Ų3772.2 Ų72.219%0.1935%0.351CS..EExtended strand (participates in β ladder)trans-109.8123.8-172.5-55.7170.7000108.7F29 F49 T51 I162F29-I33 HydrophobicContact CD1-CD1 4.35Å; F29-I33 HydrophobicContact CE1-CD1 3.97Å; F29-I33 HydrophobicContact CE1-CG1 4.29Å; I33-F49 HydrophobicContact CG2-CB 4.01Å; I33-F49 HydrophobicContact CG2-CD1 3.53Å; I33-F49 HydrophobicContact CG2-CE1 4.17Å; I33-F49 HydrophobicContact CG2-CG 3.92Å; I33-T51 HydrophobicContact CG1-CG2 4.26Å; I33-I162 HydrophobicContact CD1-CB 4.45Å; I33-I162 HydrophobicContact CD1-CD1 4.27Å; I33-I162 HydrophobicContact CD1-CG1 4Å; I33-I162 HydrophobicContact CD1-CG2 3.68Å; I33-I162 HydrophobicContact CG1-CD1 4.35Å; I33-I162 HydrophobicContact CG1-CG1 4.25Å; I33-I162 HydrophobicContact CG2-CD1 3.88Å
34E77.3Confident75.4Confident20 Ų2074.3 Ų74.39%0.09336%0.361CS..EExtended strand (participates in β ladder)trans-119.4136.5176179.7179.6-178.900108.9F49 K50 F84 T85E34-F49 CarbonylContact O-C 3.6Å; E34-F49 VanDerWaalsContact O-CA 3.31Å; E34-F49 WeakPolarHBondContact O-CA 3.34Å; E34-K50 HydrophobicContact CB-CG 4.03Å; E34-K50 VanDerWaalsContact CD-CE 3.48Å; E34-K50 PolarHBondContact N-O 2.88Å; E34-K50 PolarHBondContact O-N 3.48Å; E34-K50 VanDerWaalsContact O-O 3.09Å; E34-K50 WeakPolarHBondContact OE2-CE 3.16Å; E34-K50 IonicContact OE2-NZ 3.74Å; E34-F84 HydrophobicContact CB-CD2 4.45Å; E34-F84 HydrophobicContact CB-CE2 3.76Å; E34-F84 HydrophobicContact CB-CZ 4Å; E34-F84 WeakPolarHBondContact OE2-CA 3.39Å; E34-F84 WeakPolarHBondContact OE2-CD2 3.4Å; E34-T85 VanDerWaalsContact OE1-CB 3.26Å; E34-T85 WeakPolarHBondContact OE1-CB 3.28Å; E34-T85 PolarHBondContact OE1-OG1 3.3Å; E34-T85 PolarHBondContact OE2-N 3.27Å
35E81.9Confident74.9Confident98 Ų9870.7 Ų70.746%0.45834%0.343SS..EExtended strand (participates in β ladder)trans-75.7130.8170.1-172.3179.4173.400109.8K41 V47 D48 F49E35-K41 IonicContact OE1-NZ 2.69Å; E35-V47 HydrophobicContact CG-CG1 3.82Å; E35-D48 CarbonylContact C-O 3.44Å; E35-D48 WeakPolarHBondContact CA-O 3.48Å; E35-D48 WeakPolarHBondContact CG-O 3.38Å; E35-F49 HydrophobicContact CB-CD1 4.19Å; E35-F49 HydrophobicContact CB-CE1 4.23Å
36K80.2Confident73.9Confident6 Ų671 Ų713%0.02636%0.361CS..PPolyproline II helixtrans-65.2142.8177.8-66.3-168.6178.1-169.40110.9E40 D48 K50 E79 E80K36-E40 HydrophobicContact CB-CB 4.39Å; K36-D48 HydrophobicContact CB-CB 4.35Å; K36-D48 PolarHBondContact N-O 3.05Å; K36-K50 HydrophobicContact CG-CB 4.25Å; K36-K50 HydrophobicContact CG-CG 4.44Å; K36-E79 IonicContact NZ-OE1 3.41Å; K36-E79 PolarHBondContact NZ-OE1 3.43Å; K36-E80 WeakPolarHBondContact CE-OE1 3.26Å; K36-E80 IonicContact NZ-OE1 2.76Å; K36-E80 PolarHBondContact NZ-OE1 3.11Å
37K78.8Confident73.3Confident85 Ų8567.9 Ų67.937%0.3735%0.35SS..PPolyproline II helixtrans-70.2156.6172.9-62.6-178.1-170.4109.80110.3E39 E40 K41K37-E39 PolarHBondContact O-N 3.16Å; K37-E40 CarbonylContact O-C 3.51Å; K37-E40 PolarHBondContact O-N 2.88Å; K37-K41 WeakPolarHBondContact O-CB 3.38Å; K37-K41 PolarHBondContact O-N 2.94Å
38E74.9Confident73.1Confident147 Ų14764.4 Ų64.469%0.68732%0.32SS*.THydrogen-bonded Turntrans-52.8-30.9-177.1-70-65.1137.800114.6K41E38-K41 IonicContact OE1-NZ 2.82Å; E38-K41 PolarHBondContact OE1-NZ 2.89Å
39E74.4Confident73.8Confident163 Ų16366.2 Ų66.276%0.76233%0.326SS*.THydrogen-bonded Turntrans-76-25.5178.7-61.6179-171.900113.8K37 V363K37-E39 PolarHBondContact O-N 3.16Å; E39-V363 PolarHBondContact O-N 3.24Å
40E75.1Confident73.9Confident46 Ų4666.3 Ų66.322%0.21533%0.327CS..THydrogen-bonded Turntrans-99.4-9.3-179.9-64.3176.5158.100112K36 K37 S81K36-E40 HydrophobicContact CB-CB 4.39Å; K37-E40 CarbonylContact O-C 3.51Å; K37-E40 PolarHBondContact O-N 2.88Å; E40-S81 WeakPolarHBondContact OE1-CB 3.4Å; E40-S81 PolarHBondContact OE1-OG 3.37Å
41K77Confident74.4Confident25 Ų2561 Ų6111%0.10930%0.302CS..  trans-78.6131.3-169.5-179.4166.8-175.3172.60112.4E35 K37 E38 K43 F45 A46 D48E35-K41 IonicContact OE1-NZ 2.69Å; K37-K41 WeakPolarHBondContact O-CB 3.38Å; K37-K41 PolarHBondContact O-N 2.94Å; E38-K41 IonicContact OE1-NZ 2.82Å; E38-K41 PolarHBondContact OE1-NZ 2.89Å; K41-K43 PolarHBondContact O-N 3.39Å; K41-F45 WeakPolarHBondContact CE-O 3.38Å; K41-A46 WeakPolarHBondContact CE-O 3.09Å; K41-A46 PolarHBondContact NZ-O 3.38Å; K41-D48 HydrophobicContact CD-CB 4.48Å; K41-D48 HydrophobicContact CG-CB 3.78Å
42N75.7Confident75.2Confident18 Ų1857.4 Ų57.410%0.09628%0.283CS..  trans-73.6116.8166-175.8-21.1000109.9K44 F45 D48 T311 F313N42-K44 PolarHBondContact O-N 3.11Å; N42-K44 WeakPolarHBondContact OD1-CB 3.25Å; N42-K44 PolarHBondContact OD1-N 3.23Å; N42-F45 HydrophobicContact CB-CD2 4.04Å; N42-F45 HydrophobicContact CB-CE2 4.44Å; N42-F45 PolarHBondContact O-N 3.42Å; N42-D48 WeakPolarHBondContact CB-OD2 3.26Å; N42-D48 PolarHBondContact N-OD2 3.26Å; N42-T311 PolarHBondContact ND2-O 3.48Å; N42-T311 WeakPolarHBondContact OD1-CB 3.29Å; N42-F313 HydrophobicContact CB-CE2 4.3Å
43K81.3Confident75.7Confident155 Ų15557.1 Ų57.167%0.67428%0.282SS*.THydrogen-bonded Turntrans-58.3-17.4-178.3-67.1174.4174.8172.40114.6K41 F45 D364K41-K43 PolarHBondContact O-N 3.39Å; K43-F45 PolarHBondContact O-N 3.37Å; K43-D364 WeakPolarHBondContact CE-OD2 3.4Å; K43-D364 IonicContact NZ-OD2 2.73Å; K43-D364 PolarHBondContact NZ-OD2 3.44Å
44K75.6Confident76.2Confident79 Ų7955.4 Ų55.434%0.34327%0.273SS..THydrogen-bonded Turntrans-62.5-31.7174.4-172.5178177.8178.40112.6N42 S265 S267 T311N42-K44 PolarHBondContact O-N 3.11Å; N42-K44 WeakPolarHBondContact OD1-CB 3.25Å; N42-K44 PolarHBondContact OD1-N 3.23Å; K44-S265 PolarHBondContact NZ-OG 3.06Å; K44-S267 VanDerWaalsContact CE-OG 3.31Å; K44-S267 WeakPolarHBondContact CE-OG 3.43Å; K44-T311 HydrophobicContact CB-CG2 3.88Å
45F67.9Low76.8Confident79 Ų7954.5 Ų54.535%0.34627%0.269SS..  trans-104.3133.4-172.4-57.9-72.5000111.1K41 N42 K43 V47 D48K41-F45 WeakPolarHBondContact CE-O 3.38Å; N42-F45 HydrophobicContact CB-CD2 4.04Å; N42-F45 HydrophobicContact CB-CE2 4.44Å; N42-F45 PolarHBondContact O-N 3.42Å; K43-F45 PolarHBondContact O-N 3.37Å; F45-V47 WeakPolarHBondContact CB-O 3.14Å; F45-V47 PolarHBondContact O-N 3.12Å; F45-D48 HydrophobicContact CB-CB 4.23Å
46A50.1Low77.3Confident94 Ų9450.1 Ų50.178%0.77725%0.248SC*.SBendtrans-62.4-35.3173.500000111.4K41K41-A46 WeakPolarHBondContact CE-O 3.09Å; K41-A46 PolarHBondContact NZ-O 3.38Å
47V58.2Low77.9Confident65 Ų6549.8 Ų49.839%0.39425%0.247SC..SBendtrans-135.1121.5175-174.90000106E35 F45 F49E35-V47 HydrophobicContact CG-CG1 3.82Å; F45-V47 WeakPolarHBondContact CB-O 3.14Å; F45-V47 PolarHBondContact O-N 3.12Å; V47-F49 HydrophobicContact CB-CE2 4.16Å; V47-F49 HydrophobicContact CB-CZ 4.21Å; V47-F49 HydrophobicContact CG1-CD1 4.37Å; V47-F49 HydrophobicContact CG1-CD2 4.27Å; V47-F49 HydrophobicContact CG1-CE1 3.64Å; V47-F49 HydrophobicContact CG1-CE2 3.53Å; V47-F49 HydrophobicContact CG1-CZ 3.18Å
48D62.3Low78.7Confident13 Ų1347 Ų477%0.0724%0.235CC..  trans-114.7136.2-178.1-166.510.9000108.9E35 K36 K41 N42 F45E35-D48 CarbonylContact C-O 3.44Å; E35-D48 WeakPolarHBondContact CA-O 3.48Å; E35-D48 WeakPolarHBondContact CG-O 3.38Å; K36-D48 HydrophobicContact CB-CB 4.35Å; K36-D48 PolarHBondContact N-O 3.05Å; K41-D48 HydrophobicContact CD-CB 4.48Å; K41-D48 HydrophobicContact CG-CB 3.78Å; N42-D48 WeakPolarHBondContact CB-OD2 3.26Å; N42-D48 PolarHBondContact N-OD2 3.26Å; F45-D48 HydrophobicContact CB-CB 4.23Å
49F81.3Confident79.6Confident69 Ų6940.7 Ų40.730%0.30321%0.206SC..EExtended strand (participates in β ladder)trans-123.3145.8-169.9-64-75.9000110.5I33 E34 E35 V47 I162I33-F49 HydrophobicContact CG2-CB 4.01Å; I33-F49 HydrophobicContact CG2-CD1 3.53Å; I33-F49 HydrophobicContact CG2-CE1 4.17Å; I33-F49 HydrophobicContact CG2-CG 3.92Å; E34-F49 CarbonylContact O-C 3.6Å; E34-F49 VanDerWaalsContact O-CA 3.31Å; E34-F49 WeakPolarHBondContact O-CA 3.34Å; E35-F49 HydrophobicContact CB-CD1 4.19Å; E35-F49 HydrophobicContact CB-CE1 4.23Å; V47-F49 HydrophobicContact CB-CE2 4.16Å; V47-F49 HydrophobicContact CB-CZ 4.21Å; V47-F49 HydrophobicContact CG1-CD1 4.37Å; V47-F49 HydrophobicContact CG1-CD2 4.27Å; V47-F49 HydrophobicContact CG1-CE1 3.64Å; V47-F49 HydrophobicContact CG1-CE2 3.53Å; V47-F49 HydrophobicContact CG1-CZ 3.18Å; F49-I162 HydrophobicContact CB-CD1 3.71Å; F49-I162 HydrophobicContact CD2-CD1 4.31Å; F49-I162 HydrophobicContact CG-CD1 4.15Å
50K81.3Confident80.5Confident1 Ų133 Ų330%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-115.1160.5158.567.2-177.2-175.7-179.20109.5E34 K36 V55 E80 S81 E83E34-K50 HydrophobicContact CB-CG 4.03Å; E34-K50 VanDerWaalsContact CD-CE 3.48Å; E34-K50 PolarHBondContact N-O 2.88Å; E34-K50 PolarHBondContact O-N 3.48Å; E34-K50 VanDerWaalsContact O-O 3.09Å; E34-K50 WeakPolarHBondContact OE2-CE 3.16Å; E34-K50 IonicContact OE2-NZ 3.74Å; K36-K50 HydrophobicContact CG-CB 4.25Å; K36-K50 HydrophobicContact CG-CG 4.44Å; K50-V55 HydrophobicContact CD-CG2 4.21Å; K50-E80 WeakPolarHBondContact CD-OE2 3.34Å; K50-S81 PolarHBondContact NZ-OG 2.86Å; K50-E83 PolarHBondContact NZ-O 2.7Å
51T82.4Confident81.4Confident0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-115.7160.2171.572.20000111.7F29 L32 I33 A53 D54 V55 T158 Y161 I162F29-T51 HydrophobicContact CZ-CG2 4.17Å; L32-T51 CarbonylContact O-C 3.54Å; L32-T51 WeakPolarHBondContact O-CA 3.35Å; L32-T51 WeakPolarHBondContact O-CB 3.36Å; I33-T51 HydrophobicContact CG1-CG2 4.26Å; T51-A53 PolarHBondContact O-N 3.41Å; T51-A53 VanDerWaalsContact O-N 3.12Å; T51-A53 WeakPolarHBondContact OG1-CB 3.42Å; T51-A53 PolarHBondContact OG1-N 2.89Å; T51-D54 WeakPolarHBondContact CA-OD2 3.44Å; T51-D54 VanDerWaalsContact CB-OD2 3.29Å; T51-D54 WeakPolarHBondContact CB-OD2 3.2Å; T51-D54 PolarHBondContact N-OD2 2.85Å; T51-D54 WeakPolarHBondContact O-CB 3.32Å; T51-D54 PolarHBondContact O-N 3.19Å; T51-D54 PolarHBondContact OG1-N 3.38Å; T51-D54 PolarHBondContact OG1-OD2 3.38Å; T51-V55 PolarHBondContact O-N 3.14Å; T51-T158 HydrophobicContact CG2-CG2 4.04Å; T51-Y161 HydrophobicContact CG2-CD1 4.23Å; T51-Y161 HydrophobicContact CG2-CE1 4.24Å; T51-I162 HydrophobicContact CG2-CD1 4.22Å; T51-I162 HydrophobicContact CG2-CG1 4.03Å
52L85.4Confident82.2Confident0 Ų032.7 Ų32.70%017%0.168CC..Hα-helixtrans-52.9-32.9168.117858.6000111.1L32 D54 L56 F84 L94 L107 V110 L111 L121L32-L52 HydrophobicContact CB-CB 4Å; L32-L52 HydrophobicContact CD2-CB 4.26Å; L32-L52 HydrophobicContact CD2-CD2 3.89Å; L32-L52 PolarHBondContact O-N 3.1Å; L52-D54 VanDerWaalsContact C-N 3.34Å; L52-L56 WeakPolarHBondContact O-CB 3.34Å; L52-L56 PolarHBondContact O-N 3.37Å; L52-F84 HydrophobicContact CB-CE2 4.2Å; L52-F84 HydrophobicContact CB-CZ 4.31Å; L52-F84 HydrophobicContact CD1-CG 4.43Å; L52-L94 HydrophobicContact CD1-CD1 3.35Å; L52-L94 HydrophobicContact CD1-CD2 4.29Å; L52-L94 HydrophobicContact CD1-CG 4.45Å; L52-L107 HydrophobicContact CD2-CD2 4.31Å; L52-V110 HydrophobicContact CD1-CG1 3.93Å; L52-V110 HydrophobicContact CD2-CG1 4Å; L52-L111 HydrophobicContact CD2-CD2 3.81Å; L52-L111 HydrophobicContact CD2-CG 4.34Å; L52-L121 HydrophobicContact CD2-CD1 4.43Å
53A87.4Confident83Confident0 Ų033.4 Ų33.40%017%0.17CC..Hα-helixtrans-65-38177.500000111.7C22 T51 V57 I155 Y161C22-A53 HydrophobicContact CB-CB 4.16Å; T51-A53 PolarHBondContact O-N 3.41Å; T51-A53 VanDerWaalsContact O-N 3.12Å; T51-A53 WeakPolarHBondContact OG1-CB 3.42Å; T51-A53 PolarHBondContact OG1-N 2.89Å; A53-V57 WeakPolarHBondContact O-CB 3.41Å; A53-V57 WeakPolarHBondContact O-CG2 3.48Å; A53-V57 PolarHBondContact O-N 2.9Å; A53-I155 HydrophobicContact CB-CD1 3.46Å; A53-I155 VanDerWaalsContact CB-CD1 3.46Å; A53-Y161 HydrophobicContact CB-CE1 4.11Å
54D91.2Very high83.5Confident0 Ų027.6 Ų27.60%015%0.147CC..Hα-helixtrans-60.1-52.8176.3-64.2-80.2000111.1T51 L52 L56 V57 Q58 E80 P154 I155T51-D54 WeakPolarHBondContact CA-OD2 3.44Å; T51-D54 VanDerWaalsContact CB-OD2 3.29Å; T51-D54 WeakPolarHBondContact CB-OD2 3.2Å; T51-D54 PolarHBondContact N-OD2 2.85Å; T51-D54 WeakPolarHBondContact O-CB 3.32Å; T51-D54 PolarHBondContact O-N 3.19Å; T51-D54 PolarHBondContact OG1-N 3.38Å; T51-D54 PolarHBondContact OG1-OD2 3.38Å; L52-D54 VanDerWaalsContact C-N 3.34Å; D54-L56 PolarHBondContact O-N 3.05Å; D54-V57 PolarHBondContact O-N 3.46Å; D54-Q58 PolarHBondContact O-N 3.37Å; D54-E80 HydrophobicContact CB-CG 3.76Å; D54-P154 HydrophobicContact CB-CB 4.46Å; D54-P154 HydrophobicContact CB-CG 3.9Å; D54-P154 WeakPolarHBondContact O-CB 3.48Å; D54-P154 WeakPolarHBondContact O-CG 3.3Å; D54-I155 WeakPolarHBondContact OD1-CB 3.21Å
55V91.5Very high84.3Confident2 Ų223.9 Ų23.91%0.01213%0.131CC..Hα-helixtrans-64.1-44.4-178.8-174.20000111.3K50 T51 Q58 E59 S81 F84 L94K50-V55 HydrophobicContact CD-CG2 4.21Å; T51-V55 PolarHBondContact O-N 3.14Å; V55-Q58 PolarHBondContact O-N 2.92Å; V55-E59 WeakPolarHBondContact O-CB 3.34Å; V55-E59 PolarHBondContact O-N 3.03Å; V55-S81 WeakPolarHBondContact CG1-O 3.32Å; V55-F84 HydrophobicContact CG2-CD2 4.24Å; V55-L94 HydrophobicContact CB-CD1 3.85Å; V55-L94 HydrophobicContact CG1-CB 4.05Å; V55-L94 HydrophobicContact CG1-CD1 3.51Å; V55-L94 HydrophobicContact CG1-CG 4.37Å
56L91.1Very high85.4Confident5 Ų523.7 Ų23.73%0.02613%0.131CC..Hα-helixtrans-66.7-42.3-179.3-175.660.2000111.8I18 L52 D54 E59 V60 L107 V125I18-L56 HydrophobicContact CD1-CG 4.45Å; I18-L56 HydrophobicContact CG2-CD2 3.9Å; I18-L56 HydrophobicContact CG2-CG 4.34Å; L52-L56 WeakPolarHBondContact O-CB 3.34Å; L52-L56 PolarHBondContact O-N 3.37Å; D54-L56 PolarHBondContact O-N 3.05Å; L56-E59 PolarHBondContact O-N 3.37Å; L56-V60 HydrophobicContact CD1-CG2 4.33Å; L56-V60 HydrophobicContact CG-CG2 4.36Å; L56-V60 WeakPolarHBondContact O-CB 3.43Å; L56-V60 WeakPolarHBondContact O-CG2 3.01Å; L56-V60 PolarHBondContact O-N 3.45Å; L56-L107 HydrophobicContact CD2-CD2 4.48Å; L56-V125 HydrophobicContact CD1-CG2 3.93Å; L56-V125 HydrophobicContact CD2-CG2 3.71Å; L56-V125 HydrophobicContact CG-CG2 3.94Å
57V93.6Very high87.3Confident0 Ų025.1 Ų25.10%013%0.126CC..Hα-helixtrans-61.6-47.3177.2161.80000110.7A15 I18 A53 D54 E59 V60 I61 P154A15-V57 HydrophobicContact CB-CB 4.31Å; A15-V57 HydrophobicContact CB-CG1 3.47Å; A15-V57 VanDerWaalsContact CB-CG1 3.47Å; A15-V57 HydrophobicContact CB-CG2 4Å; I18-V57 HydrophobicContact CB-CG2 4.06Å; I18-V57 HydrophobicContact CD1-CG2 4.42Å; I18-V57 HydrophobicContact CG2-CG2 3.98Å; A53-V57 WeakPolarHBondContact O-CB 3.41Å; A53-V57 WeakPolarHBondContact O-CG2 3.48Å; A53-V57 PolarHBondContact O-N 2.9Å; D54-V57 PolarHBondContact O-N 3.46Å; V57-E59 VanDerWaalsContact C-N 3.32Å; V57-E59 PolarHBondContact O-N 3.22Å; V57-V60 PolarHBondContact O-N 2.9Å; V57-I61 HydrophobicContact CG1-CD1 3.74Å; V57-I61 WeakPolarHBondContact O-CG1 3.43Å; V57-I61 PolarHBondContact O-N 2.85Å; V57-P154 HydrophobicContact CB-CB 3.87Å; V57-P154 HydrophobicContact CG1-CB 3.58Å
58Q95.1Very high88.9Confident26 Ų2627 Ų2712%0.12113%0.128CC..Hα-helixtrans-63.1-41.7-179.9-166.6174.8-69.300111.5D54 V55 I61 K62 E80 V152 P154D54-Q58 PolarHBondContact O-N 3.37Å; V55-Q58 PolarHBondContact O-N 2.92Å; Q58-I61 PolarHBondContact O-N 3.15Å; Q58-K62 WeakPolarHBondContact O-CB 3.44Å; Q58-K62 PolarHBondContact O-N 3.5Å; Q58-E80 PolarHBondContact NE2-O 2.76Å; Q58-V152 HydrophobicContact CG-CB 4.38Å; Q58-V152 HydrophobicContact CG-CG1 4.19Å; Q58-P154 HydrophobicContact CB-CB 4.19Å; Q58-P154 HydrophobicContact CB-CG 4.4Å
59E94.3Very high90.4Very high15 Ų1527.6 Ų27.67%0.0713%0.13CC..Hα-helixtrans-68.1-37.6178.2-168.464.4-165.800112V55 L56 V57 K62 Q63 L96V55-E59 WeakPolarHBondContact O-CB 3.34Å; V55-E59 PolarHBondContact O-N 3.03Å; L56-E59 PolarHBondContact O-N 3.37Å; V57-E59 VanDerWaalsContact C-N 3.32Å; V57-E59 PolarHBondContact O-N 3.22Å; E59-K62 PolarHBondContact O-N 3.31Å; E59-Q63 HydrophobicContact CG-CG 4.33Å; E59-Q63 WeakPolarHBondContact O-CB 3.27Å; E59-Q63 WeakPolarHBondContact O-CG 3.49Å; E59-Q63 PolarHBondContact O-N 2.85Å; E59-Q63 PolarHBondContact OE1-NE2 2.98Å; E59-L96 HydrophobicContact CB-CD1 4.01Å; E59-L96 HydrophobicContact CG-CD1 3.61Å
60V92.9Very high90.9Very high0 Ų029 Ų290%015%0.146CC..Hα-helixtrans-60.6-49.8173.9171.20000110.1K14 I18 L56 V57 K62 N64 L96 V125K14-V60 HydrophobicContact CD-CG1 3.8Å; K14-V60 HydrophobicContact CG-CG1 4.16Å; I18-V60 HydrophobicContact CD1-CB 4.24Å; I18-V60 HydrophobicContact CD1-CG1 4.33Å; I18-V60 HydrophobicContact CD1-CG2 3.51Å; L56-V60 HydrophobicContact CD1-CG2 4.33Å; L56-V60 HydrophobicContact CG-CG2 4.36Å; L56-V60 WeakPolarHBondContact O-CB 3.43Å; L56-V60 WeakPolarHBondContact O-CG2 3.01Å; L56-V60 PolarHBondContact O-N 3.45Å; V57-V60 PolarHBondContact O-N 2.9Å; V60-K62 VanDerWaalsContact C-N 3.33Å; V60-K62 PolarHBondContact O-N 3.4Å; V60-N64 VanDerWaalsContact O-CB 3.24Å; V60-N64 WeakPolarHBondContact O-CB 3.49Å; V60-N64 PolarHBondContact O-N 2.89Å; V60-N64 PolarHBondContact O-OD1 3.06Å; V60-L96 HydrophobicContact CB-CD1 4.44Å; V60-L96 HydrophobicContact CB-CD2 4.34Å; V60-L96 HydrophobicContact CG2-CD1 3.94Å; V60-L96 HydrophobicContact CG2-CD2 3.85Å; V60-L96 HydrophobicContact CG2-CG 4.2Å; V60-V125 HydrophobicContact CG2-CG1 4.07Å; V60-V125 HydrophobicContact CG2-CG2 4.22Å
61I93.3Very high91.2Very high0 Ų030.5 Ų30.50%016%0.162CC..Hα-helixtrans-59.1-48.9178.7-68.5164.2000109.5V11 A15 V57 Q58 M65 V152 I184 I186V11-I61 HydrophobicContact CB-CG1 4.37Å; V11-I61 HydrophobicContact CG2-CG1 4.22Å; V11-I61 HydrophobicContact CG2-CG2 4.3Å; A15-I61 HydrophobicContact CB-CD1 4.3Å; V57-I61 HydrophobicContact CG1-CD1 3.74Å; V57-I61 WeakPolarHBondContact O-CG1 3.43Å; V57-I61 PolarHBondContact O-N 2.85Å; Q58-I61 PolarHBondContact O-N 3.15Å; I61-M65 HydrophobicContact CG2-CG 4.43Å; I61-M65 WeakPolarHBondContact O-CB 3.38Å; I61-M65 WeakPolarHBondContact O-CG 3.48Å; I61-M65 PolarHBondContact O-N 3.49Å; I61-V152 HydrophobicContact CD1-CG1 3.77Å; I61-V152 HydrophobicContact CG2-CG2 4.08Å; I61-I184 HydrophobicContact CD1-CG2 4.4Å; I61-I186 HydrophobicContact CD1-CD1 3.75Å; I61-I186 HydrophobicContact CD1-CG1 4.1Å; I61-I186 HydrophobicContact CG1-CD1 4.17Å; I61-I186 HydrophobicContact CG2-CD1 4.26Å
62K94.1Very high91.5Very high66 Ų6630.5 Ų30.529%0.28716%0.162SC..Hα-helixtrans-58.6-52.7-178.8-175.7178.5178.1-178.90112.3Q58 E59 V60 M65 E66 I76Q58-K62 WeakPolarHBondContact O-CB 3.44Å; Q58-K62 PolarHBondContact O-N 3.5Å; E59-K62 PolarHBondContact O-N 3.31Å; V60-K62 VanDerWaalsContact C-N 3.33Å; V60-K62 PolarHBondContact O-N 3.4Å; K62-M65 PolarHBondContact O-N 3.49Å; K62-E66 WeakPolarHBondContact O-CB 3.4Å; K62-E66 PolarHBondContact O-N 3.42Å; K62-I76 HydrophobicContact CB-CG2 4.36Å; K62-I76 HydrophobicContact CG-CB 4.47Å; K62-I76 HydrophobicContact CG-CD1 4.35Å; K62-I76 HydrophobicContact CG-CG2 4.4Å
63Q91.8Very high91.5Very high32 Ų3232.7 Ų32.715%0.1517%0.172CC..Hα-helixtrans-70.6-38.8-175.9-67.9-165.910.700113E59 M65 E66 N67 L96E59-Q63 HydrophobicContact CG-CG 4.33Å; E59-Q63 WeakPolarHBondContact O-CB 3.27Å; E59-Q63 WeakPolarHBondContact O-CG 3.49Å; E59-Q63 PolarHBondContact O-N 2.85Å; E59-Q63 PolarHBondContact OE1-NE2 2.98Å; Q63-M65 VanDerWaalsContact C-N 3.3Å; Q63-M65 PolarHBondContact O-N 3.49Å; Q63-E66 PolarHBondContact O-N 3.32Å; Q63-N67 WeakPolarHBondContact O-CB 3.43Å; Q63-N67 PolarHBondContact O-N 3.13Å; Q63-N67 PolarHBondContact O-ND2 3.35Å; Q63-L96 HydrophobicContact CG-CD1 4.32Å; Q63-L96 PolarHBondContact OE1-O 3.31Å
64N91.7Very high91.5Very high34 Ų3439.9 Ų39.918%0.18220%0.204CC..Hα-helixtrans-61.5-42175-88.992.1000111.3V11 K14 V60 K68V11-N64 HydrophobicContact CG1-CB 3.44Å; V11-N64 VanDerWaalsContact CG1-CB 3.44Å; K14-N64 PolarHBondContact NZ-OD1 2.93Å; V60-N64 VanDerWaalsContact O-CB 3.24Å; V60-N64 WeakPolarHBondContact O-CB 3.49Å; V60-N64 PolarHBondContact O-N 2.89Å; V60-N64 PolarHBondContact O-OD1 3.06Å; N64-K68 PolarHBondContact O-N 3.37Å
65M92.8Very high91.7Very high0 Ų042.9 Ų42.90%022%0.217CC..Hα-helixtrans-68.8-41.2177-67.5-56.9-66.200112.1I4 E7 L8 V11 I61 K62 Q63 K68 F69 L72 I76 I150I4-M65 HydrophobicContact CG2-CE 4.02Å; E7-M65 HydrophobicContact CB-SD 3.98Å; E7-M65 HydrophobicContact CG-SD 3.54Å; E7-M65 VanDerWaalsContact CG-SD 3.54Å; L8-M65 HydrophobicContact CD2-CE 3.8Å; L8-M65 HydrophobicContact CD2-CG 4.34Å; L8-M65 HydrophobicContact CD2-SD 3.79Å; L8-M65 HydrophobicContact CG-CE 4.06Å; L8-M65 HydrophobicContact CG-SD 4.3Å; V11-M65 HydrophobicContact CG2-SD 4.49Å; I61-M65 HydrophobicContact CG2-CG 4.43Å; I61-M65 WeakPolarHBondContact O-CB 3.38Å; I61-M65 WeakPolarHBondContact O-CG 3.48Å; I61-M65 PolarHBondContact O-N 3.49Å; K62-M65 PolarHBondContact O-N 3.49Å; Q63-M65 VanDerWaalsContact C-N 3.3Å; Q63-M65 PolarHBondContact O-N 3.49Å; M65-K68 PolarHBondContact O-N 3.33Å; M65-F69 HydrophobicContact CE-CD2 3.72Å; M65-F69 HydrophobicContact CE-CE2 3.95Å; M65-F69 WeakPolarHBondContact O-CA 3.44Å; M65-F69 WeakPolarHBondContact O-CB 3.11Å; M65-F69 PolarHBondContact O-N 2.76Å; M65-F69 HydrophobicContact SD-CD2 4.44Å; M65-L72 HydrophobicContact CE-CD2 3.89Å; M65-I76 HydrophobicContact CB-CD1 3.64Å; M65-I76 HydrophobicContact CG-CD1 4.39Å; M65-I150 HydrophobicContact CE-CD1 4.32Å
66E91.6Very high91.8Very high75 Ų7543.5 Ų43.535%0.3522%0.22SC..Hα-helixtrans-58.8-47.8174.9177.8175170.600111.9K62 Q63 K68 F69 E73K62-E66 WeakPolarHBondContact O-CB 3.4Å; K62-E66 PolarHBondContact O-N 3.42Å; Q63-E66 PolarHBondContact O-N 3.32Å; E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 3.34Å; E66-F69 CarbonylContact O-C 3.55Å; E66-F69 PolarHBondContact O-N 3.35Å; E66-E73 HydrophobicContact CB-CB 3.98Å; E66-E73 HydrophobicContact CG-CB 3.8Å; E66-E73 HydrophobicContact CG-CG 4.22Å
67N90.4Very high92Very high125 Ų12546.9 Ų46.967%0.66824%0.235SC*.Hα-helixtrans-62.5-35.4-178.5-74.2-25.5000112.5Q63Q63-N67 WeakPolarHBondContact O-CB 3.43Å; Q63-N67 PolarHBondContact O-N 3.13Å; Q63-N67 PolarHBondContact O-ND2 3.35Å
68K91.5Very high92Very high103 Ų10347.8 Ų47.845%0.44824%0.244SC..Hα-helixtrans-90.7-29.3-177.5-163.5167.9-176.8167.10113.5E7 N64 M65 E66E7-K68 HydrophobicContact CB-CD 4.08Å; E7-K68 VanDerWaalsContact CD-CD 3.4Å; E7-K68 HydrophobicContact CG-CD 3.7Å; E7-K68 WeakPolarHBondContact OE2-CD 3.23Å; E7-K68 WeakPolarHBondContact OE2-CE 3.43Å; E7-K68 IonicContact OE2-NZ 2.6Å; E7-K68 PolarHBondContact OE2-NZ 2.81Å; N64-K68 PolarHBondContact O-N 3.37Å; M65-K68 PolarHBondContact O-N 3.33Å; E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 3.34Å
69F92.8Very high91.7Very high26 Ų2648.1 Ų48.111%0.11425%0.246CC..SBendtrans-13274.9-176.9-56.8-74.8000110.7D3 I4 E7 M65 E66 G71 L72 Q145D3-F69 HydrophobicContact CB-CE1 4.33Å; D3-F69 HydrophobicContact CB-CZ 4.1Å; I4-F69 HydrophobicContact CB-CZ 4.37Å; I4-F69 HydrophobicContact CG1-CD1 3.99Å; I4-F69 HydrophobicContact CG1-CD2 4.39Å; I4-F69 HydrophobicContact CG1-CE1 3.67Å; I4-F69 HydrophobicContact CG1-CE2 4.1Å; I4-F69 HydrophobicContact CG1-CG 4.34Å; I4-F69 HydrophobicContact CG1-CZ 3.74Å; E7-F69 HydrophobicContact CB-CE2 3.76Å; E7-F69 HydrophobicContact CB-CZ 4.4Å; E7-F69 HydrophobicContact CG-CE2 4.09Å; M65-F69 HydrophobicContact CE-CD2 3.72Å; M65-F69 HydrophobicContact CE-CE2 3.95Å; M65-F69 WeakPolarHBondContact O-CA 3.44Å; M65-F69 WeakPolarHBondContact O-CB 3.11Å; M65-F69 PolarHBondContact O-N 2.76Å; M65-F69 HydrophobicContact SD-CD2 4.44Å; E66-F69 CarbonylContact O-C 3.55Å; E66-F69 PolarHBondContact O-N 3.35Å; F69-G71 PolarHBondContact O-N 3.06Å; F69-L72 HydrophobicContact CB-CB 4.32Å; F69-L72 HydrophobicContact CB-CD2 4.2Å; F69-L72 VanDerWaalsContact O-CB 3.31Å; F69-L72 WeakPolarHBondContact O-CB 3.3Å; F69-L72 PolarHBondContact O-N 3.26Å; F69-Q145 PolarHBondContact O-NE2 3.31Å
70P92.1Very high91.5Very high99 Ų9948 Ų4864%0.64325%0.245SC*.THydrogen-bonded Turntrans-55.8132.8-178.1-25.934.9000112.4Q145P70-Q145 PolarHBondContact O-NE2 3.4Å
71G88.1Confident91.3Very high32 Ų3249.5 Ų49.533%0.3326%0.256SS..THydrogen-bonded Turntrans102.9-19.8-176.600000113.8F69 E73F69-G71 PolarHBondContact O-N 3.06Å; G71-E73 VanDerWaalsContact C-N 3.3Å; G71-E73 WeakPolarHBondContact CA-OE2 3.38Å; G71-E73 PolarHBondContact N-OE2 2.97Å; G71-E73 PolarHBondContact O-N 3.16Å
72L89Confident91.1Very high1 Ų151.9 Ų51.91%0.00527%0.269CS..G310 helixtrans-74.2-20.9-180-164.462.2000112.5M65 F69 K74 H75 I76 Q145 L148 I150M65-L72 HydrophobicContact CE-CD2 3.89Å; F69-L72 HydrophobicContact CB-CB 4.32Å; F69-L72 HydrophobicContact CB-CD2 4.2Å; F69-L72 VanDerWaalsContact O-CB 3.31Å; F69-L72 WeakPolarHBondContact O-CB 3.3Å; F69-L72 PolarHBondContact O-N 3.26Å; L72-K74 PolarHBondContact O-N 3.44Å; L72-H75 CarbonylContact O-C 3.17Å; L72-H75 PolarHBondContact O-N 3.44Å; L72-I76 HydrophobicContact CG-CD1 4.47Å; L72-I76 HydrophobicContact CG-CG1 4.37Å; L72-I76 PolarHBondContact O-N 3.05Å; L72-Q145 HydrophobicContact CB-CG 4.41Å; L72-Q145 HydrophobicContact CD1-CG 4.06Å; L72-L148 HydrophobicContact CD1-CB 4.04Å; L72-I150 HydrophobicContact CD2-CD1 3.75Å; L72-I150 HydrophobicContact CG-CD1 4.24Å
73E84.6Confident90.9Very high45 Ų4552.1 Ų52.121%0.2127%0.271CS..G310 helixtrans-57.7-26.3-175.169.2-73.5165.300114.2E66 G71 H75E66-E73 HydrophobicContact CB-CB 3.98Å; E66-E73 HydrophobicContact CG-CB 3.8Å; E66-E73 HydrophobicContact CG-CG 4.22Å; G71-E73 VanDerWaalsContact C-N 3.3Å; G71-E73 WeakPolarHBondContact CA-OE2 3.38Å; G71-E73 PolarHBondContact N-OE2 2.97Å; G71-E73 PolarHBondContact O-N 3.16Å; E73-H75 VanDerWaalsContact C-N 3.26Å; E73-H75 PolarHBondContact O-N 3.12Å
74K88.6Confident90.6Very high152 Ų15250.8 Ų50.866%0.66127%0.265SS*.G310 helixtrans-78.1-13.9178.5-61.1178-172.51710113.2L72 F77L72-K74 PolarHBondContact O-N 3.44Å; K74-F77 WeakPolarHBondContact O-CZ 3.28Å
75H93.8Very high90.2Very high62 Ų6250.8 Ų50.829%0.28727%0.266SS..G310 helixtrans-119.113.1-174.8-58.1-67.1000112.3L72 E73 L148 G149 I150L72-H75 CarbonylContact O-C 3.17Å; L72-H75 PolarHBondContact O-N 3.44Å; E73-H75 VanDerWaalsContact C-N 3.26Å; E73-H75 PolarHBondContact O-N 3.12Å; H75-L148 VanDerWaalsContact CB-O 3.28Å; H75-L148 WeakPolarHBondContact CB-O 3.42Å; H75-G149 CarbonylContact O-C 3.59Å; H75-G149 WeakPolarHBondContact O-CA 3.46Å; H75-I150 PolarHBondContact O-N 2.86Å
76I95.1Very high89.4Confident15 Ų1551.2 Ų51.28%0.07727%0.268CS..EExtended strand (participates in β ladder)trans-97.9109.7170.1-58.2173.4000108.2K62 M65 L72 I150 V152K62-I76 HydrophobicContact CB-CG2 4.36Å; K62-I76 HydrophobicContact CG-CB 4.47Å; K62-I76 HydrophobicContact CG-CD1 4.35Å; K62-I76 HydrophobicContact CG-CG2 4.4Å; M65-I76 HydrophobicContact CB-CD1 3.64Å; M65-I76 HydrophobicContact CG-CD1 4.39Å; L72-I76 HydrophobicContact CG-CD1 4.47Å; L72-I76 HydrophobicContact CG-CG1 4.37Å; L72-I76 PolarHBondContact O-N 3.05Å; I76-I150 HydrophobicContact CG1-CB 4.17Å; I76-I150 HydrophobicContact CG1-CD1 4.17Å; I76-I150 HydrophobicContact CG1-CG1 4.45Å; I76-I150 HydrophobicContact CG2-CG2 4.5Å; I76-V152 HydrophobicContact CG2-CG2 4.08Å
77F95.3Very high88.6Confident76 Ų7652.4 Ų52.433%0.33328%0.277SS..EExtended strand (participates in β ladder)trans-113.9156.8177.6-47.2-70.6000109.3K74 I150 W151 V152K74-F77 WeakPolarHBondContact O-CZ 3.28Å; F77-I150 PolarHBondContact N-O 2.82Å; F77-W151 HydrophobicContact CB-CD2 4.06Å; F77-W151 HydrophobicContact CB-CE3 3.5Å; F77-W151 HydrophobicContact CB-CH2 3.67Å; F77-W151 HydrophobicContact CB-CZ2 4.2Å; F77-W151 HydrophobicContact CB-CZ3 3.29Å; F77-W151 HydrophobicContact CD2-CZ2 4.48Å; F77-W151 HydrophobicContact CG-CH2 4.28Å; F77-W151 HydrophobicContact CG-CZ3 4.35Å; F77-W151 CarbonylContact O-C 3.57Å; F77-W151 WeakPolarHBondContact O-CA 3.44Å; F77-V152 PolarHBondContact O-N 2.85Å
78G92.6Very high88Confident19 Ų1952.4 Ų52.420%0.19628%0.276CS..EExtended strand (participates in β ladder)trans-164.7-179.3178.100000112.1V152G78-V152 WeakPolarHBondContact CA-O 3.41Å
79E89.8Confident87.4Confident34 Ų3450.1 Ų50.116%0.15928%0.282CS..SBendtrans-66.7-39.5-178.6-175.7176.9-171.600112.5K36 V152 W315K36-E79 IonicContact NZ-OE1 3.41Å; K36-E79 PolarHBondContact NZ-OE1 3.43Å; E79-V152 PolarHBondContact N-O 2.85Å; E79-W315 HydrophobicContact CB-CD2 4.12Å; E79-W315 HydrophobicContact CB-CG 4.18Å; E79-W315 HydrophobicContact CB-CZ2 4.39Å; E79-W315 HydrophobicContact CG-CZ2 4.15Å
80E90.7Very high86.9Confident11 Ų1154 Ų545%0.05130%0.3CS..  trans-97.7147.8-167.2-64.9-56.8151.800113.8K36 K50 D54 Q58 P154K36-E80 WeakPolarHBondContact CE-OE1 3.26Å; K36-E80 IonicContact NZ-OE1 2.76Å; K36-E80 PolarHBondContact NZ-OE1 3.11Å; K50-E80 WeakPolarHBondContact CD-OE2 3.34Å; D54-E80 HydrophobicContact CB-CG 3.76Å; Q58-E80 PolarHBondContact NE2-O 2.76Å; E80-P154 HydrophobicContact CG-CG 3.92Å
81S88.8Confident86.7Confident32 Ų3255.5 Ų55.522%0.22430%0.297CS..  trans-77.2156.9159.755.80000110.4E40 K50 V55 E83E40-S81 WeakPolarHBondContact OE1-CB 3.4Å; E40-S81 PolarHBondContact OE1-OG 3.37Å; K50-S81 PolarHBondContact NZ-OG 2.86Å; V55-S81 WeakPolarHBondContact CG1-O 3.32Å; S81-E83 PolarHBondContact O-N 2.64Å
82N88Confident86.7Confident51 Ų5154.9 Ų54.927%0.27329%0.285SS..SBendtrans-82.416.7175.270.8-25.4000113.3T93 L94N82-T93 WeakPolarHBondContact ND2-CG2 3.4Å; N82-T93 CarbonylContact O-C 3.49Å; N82-T93 WeakPolarHBondContact O-CA 3.49Å; N82-L94 PolarHBondContact O-N 3.34Å
83E88.9Confident86.7Confident71 Ų7157.7 Ų57.733%0.33230%0.303SS..EExtended strand (participates in β ladder)trans-105.5138.2176.2-65.3-168.2163.700110.4K50 S81 I92K50-E83 PolarHBondContact NZ-O 2.7Å; S81-E83 PolarHBondContact O-N 2.64Å; E83-I92 WeakPolarHBondContact CA-O 3.45Å
84F85.8Confident86.9Confident4 Ų455.7 Ų55.72%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-130.4138.3172.8-168.8-91.2000109.8E34 L52 V55 I92 L94 V110E34-F84 HydrophobicContact CB-CD2 4.45Å; E34-F84 HydrophobicContact CB-CE2 3.76Å; E34-F84 HydrophobicContact CB-CZ 4Å; E34-F84 WeakPolarHBondContact OE2-CA 3.39Å; E34-F84 WeakPolarHBondContact OE2-CD2 3.4Å; L52-F84 HydrophobicContact CB-CE2 4.2Å; L52-F84 HydrophobicContact CB-CZ 4.31Å; L52-F84 HydrophobicContact CD1-CG 4.43Å; V55-F84 HydrophobicContact CG2-CD2 4.24Å; F84-I92 PolarHBondContact N-O 2.73Å; F84-I92 PolarHBondContact O-N 3.13Å; F84-L94 HydrophobicContact CB-CD1 3.87Å; F84-V110 HydrophobicContact CD1-CG1 3.58Å; F84-V110 HydrophobicContact CE1-CG1 3.88Å; F84-V110 HydrophobicContact CG-CG1 4.47Å
85T84Confident86.8Confident34 Ų3455.9 Ų55.921%0.20929%0.29CS..EExtended strand (participates in β ladder)trans-101.4120177.3-42.90000109.5E34 E90E34-T85 VanDerWaalsContact OE1-CB 3.26Å; E34-T85 WeakPolarHBondContact OE1-CB 3.28Å; E34-T85 PolarHBondContact OE1-OG1 3.3Å; E34-T85 PolarHBondContact OE2-N 3.27Å; T85-E90 WeakPolarHBondContact CA-O 3.28Å
86N77.1Confident86.3Confident9 Ų954 Ų545%0.04828%0.282CS..  trans-77.3174.6177.271.88.3000112.2L88 G89 E90 I92 K109N86-L88 PolarHBondContact O-N 2.83Å; N86-L88 VanDerWaalsContact O-N 3.08Å; N86-L88 WeakPolarHBondContact OD1-CA 3.37Å; N86-L88 WeakPolarHBondContact OD1-CB 3.45Å; N86-L88 PolarHBondContact OD1-N 2.89Å; N86-L88 VanDerWaalsContact OD1-N 3.08Å; N86-G89 PolarHBondContact O-N 2.93Å; N86-G89 PolarHBondContact OD1-N 3.37Å; N86-E90 PolarHBondContact N-O 3.22Å; N86-E90 PolarHBondContact ND2-OE2 3.39Å; N86-E90 VanDerWaalsContact ND2-OE2 3.15Å; N86-E90 WeakPolarHBondContact OD1-CB 3.33Å; N86-E90 PolarHBondContact OD1-N 2.85Å; N86-E90 PolarHBondContact OD1-O 3.11Å; N86-I92 HydrophobicContact CB-CD1 4.41Å; N86-K109 PolarHBondContact ND2-O 3.43Å
87D74.1Confident86Confident100 Ų10055.1 Ų55.154%0.53529%0.291SS..THydrogen-bonded Turntrans-60.9-19.6179.6-64.5-32.9000114G89 N112D87-G89 VanDerWaalsContact C-N 3.27Å; D87-N112 PolarHBondContact OD2-ND2 3.05Å
88L76.9Confident85.6Confident125 Ų12556.8 Ų56.865%0.65431%0.312SS*.THydrogen-bonded Turntrans-84.4-2.8176.7-57176.3000112.4N86 E90N86-L88 PolarHBondContact O-N 2.83Å; N86-L88 VanDerWaalsContact O-N 3.08Å; N86-L88 WeakPolarHBondContact OD1-CA 3.37Å; N86-L88 WeakPolarHBondContact OD1-CB 3.45Å; N86-L88 PolarHBondContact OD1-N 2.89Å; N86-L88 VanDerWaalsContact OD1-N 3.08Å; L88-E90 VanDerWaalsContact C-N 3.28Å; L88-E90 HydrophobicContact CB-CG 4.16Å
89G80.1Confident85.6Confident54 Ų5458.4 Ų58.456%0.55732%0.318SS*.SBendtrans78.610.1-175.500000113.7N86 D87N86-G89 PolarHBondContact O-N 2.93Å; N86-G89 PolarHBondContact OD1-N 3.37Å; D87-G89 VanDerWaalsContact C-N 3.27Å
90E82.8Confident85.9Confident107 Ų10759.9 Ų59.950%0.533%0.325SS..  trans-80.7126.9177.2-56.8177.8150.300109.7T85 N86 L88T85-E90 WeakPolarHBondContact CA-O 3.28Å; N86-E90 PolarHBondContact N-O 3.22Å; N86-E90 PolarHBondContact ND2-OE2 3.39Å; N86-E90 VanDerWaalsContact ND2-OE2 3.15Å; N86-E90 WeakPolarHBondContact OD1-CB 3.33Å; N86-E90 PolarHBondContact OD1-N 2.85Å; N86-E90 PolarHBondContact OD1-O 3.11Å; L88-E90 VanDerWaalsContact C-N 3.28Å; L88-E90 HydrophobicContact CB-CG 4.16Å
91K87.3Confident86Confident131 Ų13165.5 Ų65.557%0.5735%0.351SS*.EExtended strand (participates in β ladder)trans-82.3124173-67.9-174.2-179.5-175.90110.1
92I86.9Confident86.3Confident19 Ų1968.2 Ų68.210%0.09736%0.36CS..EExtended strand (participates in β ladder)trans-118.6122.7-179.5-59.7169.7000108.3E83 F84 N86 L94 L106 K109 V110E83-I92 WeakPolarHBondContact CA-O 3.45Å; F84-I92 PolarHBondContact N-O 2.73Å; F84-I92 PolarHBondContact O-N 3.13Å; N86-I92 HydrophobicContact CB-CD1 4.41Å; I92-L94 PolarHBondContact O-N 3.42Å; I92-L106 HydrophobicContact CG2-CD1 3.83Å; I92-K109 HydrophobicContact CD1-CB 4.05Å; I92-V110 HydrophobicContact CB-CG2 4.15Å; I92-V110 HydrophobicContact CD1-CB 4.23Å; I92-V110 HydrophobicContact CD1-CG2 3.61Å; I92-V110 HydrophobicContact CG1-CG2 4.47Å; I92-V110 HydrophobicContact CG2-CG2 3.81Å
93T90.5Very high86.6Confident60 Ų6066 Ų6637%0.36835%0.349SS..EExtended strand (participates in β ladder)trans-80.5115.9170.1-51.50000109.1N82 R95N82-T93 WeakPolarHBondContact ND2-CG2 3.4Å; N82-T93 CarbonylContact O-C 3.49Å; N82-T93 WeakPolarHBondContact O-CA 3.49Å; T93-R95 HydrophobicContact CG2-CG 4.44Å
94L88.1Confident86.7Confident3 Ų363.2 Ų63.22%0.01634%0.338CS..  trans-82.7129.2177.7-74.9165.7000110.4L52 V55 N82 F84 I92 L106 L107 V110L52-L94 HydrophobicContact CD1-CD1 3.35Å; L52-L94 HydrophobicContact CD1-CD2 4.29Å; L52-L94 HydrophobicContact CD1-CG 4.45Å; V55-L94 HydrophobicContact CB-CD1 3.85Å; V55-L94 HydrophobicContact CG1-CB 4.05Å; V55-L94 HydrophobicContact CG1-CD1 3.51Å; V55-L94 HydrophobicContact CG1-CG 4.37Å; N82-L94 PolarHBondContact O-N 3.34Å; F84-L94 HydrophobicContact CB-CD1 3.87Å; I92-L94 PolarHBondContact O-N 3.42Å; L94-L106 HydrophobicContact CD2-CD2 4.22Å; L94-L106 HydrophobicContact CD2-CG 4.38Å; L94-L107 HydrophobicContact CD2-CD2 4.23Å; L94-V110 HydrophobicContact CD2-CG2 4.06Å
95R86.4Confident87.1Confident157 Ų15769.6 Ų69.659%0.59237%0.368SS*.  trans-145.8139172.1-63.2-172.5-174.1-165.10.2106.7T93 C97 L106T93-R95 HydrophobicContact CG2-CG 4.44Å; R95-C97 PolarHBondContact O-N 2.91Å; R95-L106 WeakPolarHBondContact O-CD2 3.31Å
96L82.8Confident87.5Confident22 Ų2269.4 Ų69.412%0.11537%0.365CS..  trans-68.2136.3169-56.960.8000107.4E59 V60 Q63 V125E59-L96 HydrophobicContact CB-CD1 4.01Å; E59-L96 HydrophobicContact CG-CD1 3.61Å; V60-L96 HydrophobicContact CB-CD1 4.44Å; V60-L96 HydrophobicContact CB-CD2 4.34Å; V60-L96 HydrophobicContact CG2-CD1 3.94Å; V60-L96 HydrophobicContact CG2-CD2 3.85Å; V60-L96 HydrophobicContact CG2-CG 4.2Å; Q63-L96 HydrophobicContact CG-CD1 4.32Å; Q63-L96 PolarHBondContact OE1-O 3.31Å; L96-V125 HydrophobicContact CB-CG1 4.47Å; L96-V125 HydrophobicContact CD2-CG1 3.41Å; L96-V125 VanDerWaalsContact CD2-CG1 3.41Å; L96-V125 HydrophobicContact CG-CG1 3.6Å
97C89.1Confident88Confident38 Ų3869 Ų6926%0.25736%0.363SS..  trans-89.2172175.8-55.60000109.9R95 T99 E102 T103 H126R95-C97 PolarHBondContact O-N 2.91Å; C97-T99 PolarHBondContact O-N 2.88Å; C97-E102 HydrophobicContact CB-CB 3.28Å; C97-E102 HydrophobicContact CB-CG 4.38Å; C97-E102 WeakPolarHBondContact CB-OE2 3.35Å; C97-T103 PolarHBondContact N-OG1 2.81Å; C97-H126 PolarHBondContact O-CE1 2.88Å; C97-H126 VanDerWaalsContact O-CE1 3.28Å
98S87.9Confident88.7Confident112 Ų11265.3 Ų65.378%0.78335%0.345SS*.SBendtrans-69.7-26.2-175.1-42.20000111.8E102S98-E102 PolarHBondContact N-OE2 2.96Å
99T92.8Very high89.2Confident52 Ų5265.8 Ų65.832%0.31934%0.342SS..SBendtrans-125160.2179.887.40000112.6C97 E101 E102 T103 H126C97-T99 PolarHBondContact O-N 2.88Å; T99-E101 VanDerWaalsContact C-N 3.28Å; T99-E101 VanDerWaalsContact CB-OE2 3.23Å; T99-E101 WeakPolarHBondContact CB-OE2 3.27Å; T99-E101 PolarHBondContact O-N 3.17Å; T99-E101 PolarHBondContact OG1-N 3.49Å; T99-E101 PolarHBondContact OG1-OE2 2.84Å; T99-E102 PolarHBondContact OG1-N 2.78Å; T99-T103 PolarHBondContact O-N 2.88Å; T99-T103 VanDerWaalsContact O-N 3.17Å; T99-T103 PolarHBondContact O-OG1 2.79Å; T99-H126 VanDerWaalsContact C-CE1 3.49Å; T99-H126 PolarHBondContact O-NE2 3.29Å
100E94.1Very high89.3Confident66 Ų6663.5 Ų63.531%0.30832%0.317SS..Hα-helixtrans-59.2-41.3174.9-176.4177.5149.600110.7T103 A104 A122 R123 H126E100-T103 PolarHBondContact O-N 2.89Å; E100-A104 WeakPolarHBondContact O-CB 3.23Å; E100-A104 PolarHBondContact O-N 3.21Å; E100-A122 HydrophobicContact CG-CB 3.93Å; E100-A122 WeakPolarHBondContact O-CB 3.33Å; E100-R123 WeakPolarHBondContact OE1-CB 3.29Å; E100-R123 IonicContact OE1-NE 2.58Å; E100-H126 HydrophobicContact CB-CB 4.32Å
101E94.8Very high89.2Confident128 Ų12859 Ų5960%0.59830%0.296SS*.Hα-helixtrans-64.2-47.5-178.5-59.776-165.800112T99 T103 A104 E105T99-E101 VanDerWaalsContact C-N 3.28Å; T99-E101 VanDerWaalsContact CB-OE2 3.23Å; T99-E101 WeakPolarHBondContact CB-OE2 3.27Å; T99-E101 PolarHBondContact O-N 3.17Å; T99-E101 PolarHBondContact OG1-N 3.49Å; T99-E101 PolarHBondContact OG1-OE2 2.84Å; E101-T103 VanDerWaalsContact C-N 3.26Å; E101-T103 PolarHBondContact O-N 2.82Å; E101-A104 WeakPolarHBondContact O-CB 3.5Å; E101-A104 PolarHBondContact O-N 3.44Å; E101-E105 WeakPolarHBondContact O-CG 3.45Å; E101-E105 PolarHBondContact O-N 3.42Å
102E94.7Very high88.9Confident90 Ų9056.3 Ų56.342%0.42129%0.288SS..Hα-helixtrans-61.8-38.6177.6-68178.8158.700111.2C97 S98 T99 E105 L106C97-E102 HydrophobicContact CB-CB 3.28Å; C97-E102 HydrophobicContact CB-CG 4.38Å; C97-E102 WeakPolarHBondContact CB-OE2 3.35Å; S98-E102 PolarHBondContact N-OE2 2.96Å; T99-E102 PolarHBondContact OG1-N 2.78Å; E102-E105 PolarHBondContact O-N 3.06Å; E102-L106 PolarHBondContact O-N 2.7Å
103T93.1Very high88.6Confident4 Ų457.6 Ų57.63%0.02531%0.306CS..Hα-helixtrans-67.8-40.1177.1-550000110.9C97 T99 E100 E101 L106 L107 A122 V125 H126C97-T103 PolarHBondContact N-OG1 2.81Å; T99-T103 PolarHBondContact O-N 2.88Å; T99-T103 VanDerWaalsContact O-N 3.17Å; T99-T103 PolarHBondContact O-OG1 2.79Å; E100-T103 PolarHBondContact O-N 2.89Å; E101-T103 VanDerWaalsContact C-N 3.26Å; E101-T103 PolarHBondContact O-N 2.82Å; T103-L106 PolarHBondContact O-N 2.81Å; T103-L107 HydrophobicContact CG2-CD1 4.11Å; T103-L107 HydrophobicContact CG2-CG 4.45Å; T103-L107 WeakPolarHBondContact O-CB 3.38Å; T103-L107 VanDerWaalsContact O-CG 3.27Å; T103-L107 WeakPolarHBondContact O-CG 3.33Å; T103-L107 PolarHBondContact O-N 3.03Å; T103-A122 HydrophobicContact CG2-CB 4.09Å; T103-V125 HydrophobicContact CG2-CG1 4.28Å; T103-H126 PolarHBondContact OG1-NE2 3.34Å
104A92.6Very high88.3Confident13 Ų1357 Ų5711%0.10730%0.301CS..Hα-helixtrans-64.3-38.817500000111.7E100 E101 L107 S108 S118 E119 A122E100-A104 WeakPolarHBondContact O-CB 3.23Å; E100-A104 PolarHBondContact O-N 3.21Å; E101-A104 WeakPolarHBondContact O-CB 3.5Å; E101-A104 PolarHBondContact O-N 3.44Å; A104-L107 PolarHBondContact O-N 2.86Å; A104-S108 VanDerWaalsContact O-CB 3.28Å; A104-S108 WeakPolarHBondContact O-CB 3.32Å; A104-S108 PolarHBondContact O-N 2.94Å; A104-S118 VanDerWaalsContact O-CB 3.3Å; A104-S118 WeakPolarHBondContact O-CB 3.42Å; A104-E119 HydrophobicContact CB-CG 4.24Å; A104-A122 HydrophobicContact CB-CB 3.79Å
105E93.6Very high88.3Confident137 Ų13763.7 Ų63.764%0.6433%0.33SS*.Hα-helixtrans-64-42.7174.7-74.1-174.1178.400112.2E101 E102 S108 K109E101-E105 WeakPolarHBondContact O-CG 3.45Å; E101-E105 PolarHBondContact O-N 3.42Å; E102-E105 PolarHBondContact O-N 3.06Å; E105-S108 WeakPolarHBondContact O-CB 3.38Å; E105-S108 PolarHBondContact O-N 3.42Å; E105-K109 PolarHBondContact O-N 3.05Å
106L91.3Very high88.2Confident31 Ų3160.8 Ų60.816%0.16233%0.329CS..Hα-helixtrans-62-50.1175.417962.8000111.3I92 L94 R95 E102 T103 S108 K109 V110I92-L106 HydrophobicContact CG2-CD1 3.83Å; L94-L106 HydrophobicContact CD2-CD2 4.22Å; L94-L106 HydrophobicContact CD2-CG 4.38Å; R95-L106 WeakPolarHBondContact O-CD2 3.31Å; E102-L106 PolarHBondContact O-N 2.7Å; T103-L106 PolarHBondContact O-N 2.81Å; L106-S108 PolarHBondContact O-N 3.48Å; L106-K109 WeakPolarHBondContact O-CB 3.22Å; L106-K109 PolarHBondContact O-N 2.83Å; L106-K109 VanDerWaalsContact O-N 3.13Å; L106-V110 PolarHBondContact O-N 2.97Å
107L88.8Confident88.2Confident1 Ų160.1 Ų60.11%0.00533%0.327CS..Hα-helixtrans-62.6-32.3178.2-68.8174.7000111.5L52 L56 L94 T103 A104 K109 V110 L111 L121 A122L52-L107 HydrophobicContact CD2-CD2 4.31Å; L56-L107 HydrophobicContact CD2-CD2 4.48Å; L94-L107 HydrophobicContact CD2-CD2 4.23Å; T103-L107 HydrophobicContact CG2-CD1 4.11Å; T103-L107 HydrophobicContact CG2-CG 4.45Å; T103-L107 WeakPolarHBondContact O-CB 3.38Å; T103-L107 VanDerWaalsContact O-CG 3.27Å; T103-L107 WeakPolarHBondContact O-CG 3.33Å; T103-L107 PolarHBondContact O-N 3.03Å; A104-L107 PolarHBondContact O-N 2.86Å; L107-K109 VanDerWaalsContact C-N 3.27Å; L107-K109 PolarHBondContact O-N 3.49Å; L107-V110 WeakPolarHBondContact O-CB 3.43Å; L107-V110 PolarHBondContact O-N 2.86Å; L107-V110 VanDerWaalsContact O-N 3.08Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 WeakPolarHBondContact O-CG 3.25Å; L107-L111 PolarHBondContact O-N 2.93Å; L107-L121 HydrophobicContact CD1-CB 3.71Å; L107-A122 HydrophobicContact CD1-CB 4.33Å
108S88.7Confident88.1Confident21 Ų2158.4 Ų58.415%0.14732%0.315CS..Hα-helixtrans-62.4-34.3176.5-164.50000112.4A104 E105 L106 L111 N112 G113 S118A104-S108 VanDerWaalsContact O-CB 3.28Å; A104-S108 WeakPolarHBondContact O-CB 3.32Å; A104-S108 PolarHBondContact O-N 2.94Å; E105-S108 WeakPolarHBondContact O-CB 3.38Å; E105-S108 PolarHBondContact O-N 3.42Å; L106-S108 PolarHBondContact O-N 3.48Å; S108-L111 CarbonylContact O-C 3.6Å; S108-L111 PolarHBondContact O-N 3.47Å; S108-N112 PolarHBondContact O-N 3.33Å; S108-G113 WeakPolarHBondContact O-CA 3.5Å; S108-G113 PolarHBondContact O-N 3.18Å; S108-G113 WeakPolarHBondContact OG-CA 3.34Å; S108-S118 WeakPolarHBondContact CA-OG 3.5Å; S108-S118 PolarHBondContact N-OG 2.94Å; S108-S118 VanDerWaalsContact N-OG 3.11Å
109K86.5Confident88.2Confident136 Ų13657.4 Ų57.459%0.59130%0.299SS*.Hα-helixtrans-67.6-37173.9-63.6174.9-176.5173.20112.2N86 I92 E105 L106 L107N86-K109 PolarHBondContact ND2-O 3.43Å; I92-K109 HydrophobicContact CD1-CB 4.05Å; E105-K109 PolarHBondContact O-N 3.05Å; L106-K109 WeakPolarHBondContact O-CB 3.22Å; L106-K109 PolarHBondContact O-N 2.83Å; L106-K109 VanDerWaalsContact O-N 3.13Å; L107-K109 VanDerWaalsContact C-N 3.27Å; L107-K109 PolarHBondContact O-N 3.49Å
110V83.6Confident88Confident5 Ų556.9 Ų56.93%0.0330%0.299CS..Hα-helixtrans-70.6-36.8176.4-176.80000111L52 F84 I92 L94 L106 L107 N112L52-V110 HydrophobicContact CD1-CG1 3.93Å; L52-V110 HydrophobicContact CD2-CG1 4Å; F84-V110 HydrophobicContact CD1-CG1 3.58Å; F84-V110 HydrophobicContact CE1-CG1 3.88Å; F84-V110 HydrophobicContact CG-CG1 4.47Å; I92-V110 HydrophobicContact CB-CG2 4.15Å; I92-V110 HydrophobicContact CD1-CB 4.23Å; I92-V110 HydrophobicContact CD1-CG2 3.61Å; I92-V110 HydrophobicContact CG1-CG2 4.47Å; I92-V110 HydrophobicContact CG2-CG2 3.81Å; L94-V110 HydrophobicContact CD2-CG2 4.06Å; L106-V110 PolarHBondContact O-N 2.97Å; L107-V110 WeakPolarHBondContact O-CB 3.43Å; L107-V110 PolarHBondContact O-N 2.86Å; L107-V110 VanDerWaalsContact O-N 3.08Å; V110-N112 VanDerWaalsContact C-N 3.34Å; V110-N112 PolarHBondContact O-N 3.01Å
111L81Confident87.6Confident14 Ų1454.2 Ų54.27%0.07329%0.287CS..THydrogen-bonded Turntrans-95.828.6-174-59.7179.2000113.3L32 L52 L107 S108 G113 N114 A117 L121L32-L111 HydrophobicContact CD2-CD2 3.07Å; L52-L111 HydrophobicContact CD2-CD2 3.81Å; L52-L111 HydrophobicContact CD2-CG 4.34Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 WeakPolarHBondContact O-CG 3.25Å; L107-L111 PolarHBondContact O-N 2.93Å; S108-L111 CarbonylContact O-C 3.6Å; S108-L111 PolarHBondContact O-N 3.47Å; L111-G113 PolarHBondContact O-N 2.9Å; L111-G113 VanDerWaalsContact O-N 3.11Å; L111-N114 HydrophobicContact CB-CB 4.05Å; L111-N114 WeakPolarHBondContact O-CB 3.48Å; L111-N114 PolarHBondContact O-N 3.08Å; L111-A117 HydrophobicContact CD1-CB 3.96Å; L111-L121 HydrophobicContact CD1-CD1 4.14Å
112N79.9Confident87.5Confident73 Ų7348.1 Ų48.139%0.3926%0.259SS..THydrogen-bonded Turntrans50.538.7176.8-58-31.3000114D87 S108 V110D87-N112 PolarHBondContact OD2-ND2 3.05Å; S108-N112 PolarHBondContact O-N 3.33Å; V110-N112 VanDerWaalsContact C-N 3.34Å; V110-N112 PolarHBondContact O-N 3.01Å
113G81.6Confident87.3Confident47 Ų4750.7 Ų50.749%0.48526%0.264SS..THydrogen-bonded Turntrans84.97.9-179.800000115.3S108 L111 K115S108-G113 WeakPolarHBondContact O-CA 3.5Å; S108-G113 PolarHBondContact O-N 3.18Å; S108-G113 WeakPolarHBondContact OG-CA 3.34Å; L111-G113 PolarHBondContact O-N 2.9Å; L111-G113 VanDerWaalsContact O-N 3.11Å; G113-K115 PolarHBondContact O-N 3.39Å
114N83.2Confident87.2Confident47 Ų4751.6 Ų51.625%0.25127%0.27SS..  trans-73.588.6-179.3-170.4-28.1000112.4L28 L111 V116 A117 S118L28-N114 WeakPolarHBondContact CD1-ND2 3.19Å; L28-N114 WeakPolarHBondContact CD2-ND2 3.18Å; L111-N114 HydrophobicContact CB-CB 4.05Å; L111-N114 WeakPolarHBondContact O-CB 3.48Å; L111-N114 PolarHBondContact O-N 3.08Å; N114-V116 PolarHBondContact O-N 2.84Å; N114-V116 PolarHBondContact OD1-N 2.78Å; N114-A117 PolarHBondContact OD1-N 2.87Å; N114-A117 VanDerWaalsContact OD1-N 3.13Å; N114-S118 WeakPolarHBondContact O-CB 3.36Å; N114-S118 PolarHBondContact O-N 2.94Å; N114-S118 VanDerWaalsContact O-N 3.11Å; N114-S118 PolarHBondContact O-OG 3.16Å
115K87.2Confident87.1Confident143 Ų14351 Ų5162%0.62227%0.265SS*.Hα-helixtrans-59.6-42.5-178.6-64.6-167.5175.4-167.20113.5G113 A117 S118 E119G113-K115 PolarHBondContact O-N 3.39Å; K115-A117 PolarHBondContact O-N 3.33Å; K115-S118 PolarHBondContact O-N 2.91Å; K115-E119 WeakPolarHBondContact O-CB 3.33Å; K115-E119 VanDerWaalsContact O-CG 3.28Å; K115-E119 WeakPolarHBondContact O-CG 3.15Å; K115-E119 PolarHBondContact O-N 3.39Å
116V85.3Confident87Confident96 Ų9647 Ų4758%0.58225%0.246SC*.Hα-helixtrans-60.9-46-175.4177.10000111.4N114 A120N114-V116 PolarHBondContact O-N 2.84Å; N114-V116 PolarHBondContact OD1-N 2.78Å; V116-A120 WeakPolarHBondContact O-CB 3.14Å; V116-A120 PolarHBondContact O-N 2.84Å; V116-A120 VanDerWaalsContact O-N 3.11Å
117A82.8Confident86.9Confident9 Ų950.4 Ų50.47%0.07426%0.261CS..Hα-helixtrans-72.6-36.3178.400000112.7L28 L111 N114 K115 A120 L121L28-A117 HydrophobicContact CD1-CB 3.41Å; L28-A117 VanDerWaalsContact CD1-CB 3.41Å; L111-A117 HydrophobicContact CD1-CB 3.96Å; N114-A117 PolarHBondContact OD1-N 2.87Å; N114-A117 VanDerWaalsContact OD1-N 3.13Å; K115-A117 PolarHBondContact O-N 3.33Å; A117-A120 PolarHBondContact O-N 3.4Å; A117-L121 WeakPolarHBondContact O-CB 3.48Å; A117-L121 WeakPolarHBondContact O-CG 3.47Å; A117-L121 PolarHBondContact O-N 3.11Å
118S88Confident86.8Confident1 Ų157.6 Ų57.61%0.00730%0.3CS..Hα-helixtrans-63.6-47.5177.9-53.50000111.6A104 S108 N114 K115 L121 A122A104-S118 VanDerWaalsContact O-CB 3.3Å; A104-S118 WeakPolarHBondContact O-CB 3.42Å; S108-S118 WeakPolarHBondContact CA-OG 3.5Å; S108-S118 PolarHBondContact N-OG 2.94Å; S108-S118 VanDerWaalsContact N-OG 3.11Å; N114-S118 WeakPolarHBondContact O-CB 3.36Å; N114-S118 PolarHBondContact O-N 2.94Å; N114-S118 VanDerWaalsContact O-N 3.11Å; N114-S118 PolarHBondContact O-OG 3.16Å; K115-S118 PolarHBondContact O-N 2.91Å; S118-L121 PolarHBondContact O-N 3.24Å; S118-A122 WeakPolarHBondContact O-CB 3.43Å; S118-A122 PolarHBondContact O-N 3.37Å
119E89.9Confident86.8Confident92 Ų9258.2 Ų58.243%0.4330%0.302SS..Hα-helixtrans-63.8-41.2175.8-70.7167.5-168.500111.3A104 K115 R123A104-E119 HydrophobicContact CB-CG 4.24Å; K115-E119 WeakPolarHBondContact O-CB 3.33Å; K115-E119 VanDerWaalsContact O-CG 3.28Å; K115-E119 WeakPolarHBondContact O-CG 3.15Å; K115-E119 PolarHBondContact O-N 3.39Å; E119-R123 WeakPolarHBondContact O-CB 3.49Å; E119-R123 PolarHBondContact O-N 2.94Å
120A86.9Confident86.5Confident41 Ų4156.3 Ų56.334%0.33931%0.312SS..Hα-helixtrans-63.4-44.1177.600000112.3V116 A117 V124V116-A120 WeakPolarHBondContact O-CB 3.14Å; V116-A120 PolarHBondContact O-N 2.84Å; V116-A120 VanDerWaalsContact O-N 3.11Å; A117-A120 PolarHBondContact O-N 3.4Å; A120-V124 WeakPolarHBondContact O-CG2 3.23Å; A120-V124 PolarHBondContact O-N 2.82Å
121L87.4Confident86.3Confident9 Ų958.3 Ų58.35%0.04732%0.321CS..Hα-helixtrans-69.6-44.1177-73.9174.1000111.8A21 C22 L52 L107 L111 A117 S118 R123 V124 V125A21-L121 HydrophobicContact CB-CD2 4.15Å; C22-L121 VanDerWaalsContact SG-CD2 3.51Å; L52-L121 HydrophobicContact CD2-CD1 4.43Å; L107-L121 HydrophobicContact CD1-CB 3.71Å; L111-L121 HydrophobicContact CD1-CD1 4.14Å; A117-L121 WeakPolarHBondContact O-CB 3.48Å; A117-L121 WeakPolarHBondContact O-CG 3.47Å; A117-L121 PolarHBondContact O-N 3.11Å; S118-L121 PolarHBondContact O-N 3.24Å; L121-R123 VanDerWaalsContact C-N 3.3Å; L121-R123 PolarHBondContact O-N 3.36Å; L121-V124 PolarHBondContact O-N 2.77Å; L121-V124 VanDerWaalsContact O-N 3.12Å; L121-V125 WeakPolarHBondContact O-CB 3.47Å; L121-V125 VanDerWaalsContact O-CG2 3.23Å; L121-V125 WeakPolarHBondContact O-CG2 3.12Å; L121-V125 PolarHBondContact O-N 2.95Å
122A91.4Very high86.1Confident0 Ų062.9 Ų62.90%035%0.349CS..Hα-helixtrans-57.2-44.5176.300000111.3E100 T103 A104 L107 S118 V124 V125 H126E100-A122 HydrophobicContact CG-CB 3.93Å; E100-A122 WeakPolarHBondContact O-CB 3.33Å; T103-A122 HydrophobicContact CG2-CB 4.09Å; A104-A122 HydrophobicContact CB-CB 3.79Å; L107-A122 HydrophobicContact CD1-CB 4.33Å; S118-A122 WeakPolarHBondContact O-CB 3.43Å; S118-A122 PolarHBondContact O-N 3.37Å; A122-V124 VanDerWaalsContact C-N 3.33Å; A122-V124 PolarHBondContact O-N 3.42Å; A122-V125 CarbonylContact O-C 3.39Å; A122-V125 WeakPolarHBondContact O-CB 3.19Å; A122-V125 PolarHBondContact O-N 2.83Å; A122-V125 VanDerWaalsContact O-N 3.16Å; A122-H126 PolarHBondContact O-CD2 2.95Å; A122-H126 VanDerWaalsContact O-CD2 3.27Å; A122-H126 PolarHBondContact O-N 2.94Å
123R91.6Very high86.1Confident144 Ų14460.6 Ų60.654%0.54334%0.337SS..Hα-helixtrans-57.4-45.4174.9-169.6-177.1-57.6157.17.6112.5E100 E119 L121 V125 H126 Q127E100-R123 WeakPolarHBondContact OE1-CB 3.29Å; E100-R123 IonicContact OE1-NE 2.58Å; E119-R123 WeakPolarHBondContact O-CB 3.49Å; E119-R123 PolarHBondContact O-N 2.94Å; L121-R123 VanDerWaalsContact C-N 3.3Å; L121-R123 PolarHBondContact O-N 3.36Å; R123-V125 VanDerWaalsContact C-N 3.32Å; R123-H126 PolarHBondContact O-N 3.29Å; R123-Q127 WeakPolarHBondContact O-CB 3.47Å; R123-Q127 PolarHBondContact O-N 3.18Å
124V90Very high86Confident23 Ų2363.1 Ų63.114%0.13935%0.345CS..Hα-helixtrans-66.3-37.8179174.50000111.2N17 I18 A21 A120 L121 A122 H126 Q127N17-V124 HydrophobicContact CB-CG1 3.67Å; I18-V124 HydrophobicContact CB-CG1 4.49Å; I18-V124 HydrophobicContact CG1-CG1 3.75Å; A21-V124 HydrophobicContact CB-CG1 4.47Å; A21-V124 HydrophobicContact CB-CG2 4Å; A120-V124 WeakPolarHBondContact O-CG2 3.23Å; A120-V124 PolarHBondContact O-N 2.82Å; L121-V124 PolarHBondContact O-N 2.77Å; L121-V124 VanDerWaalsContact O-N 3.12Å; A122-V124 VanDerWaalsContact C-N 3.33Å; A122-V124 PolarHBondContact O-N 3.42Å; V124-H126 VanDerWaalsContact C-N 3.31Å; V124-H126 PolarHBondContact O-N 3Å; V124-Q127 PolarHBondContact O-N 3.25Å
125V90.2Very high85.9Confident0 Ų063 Ų630%035%0.346CS..Hα-helixtrans-68.6-26.8176.1168.10000112.7K14 I18 L56 V60 L96 T103 L121 A122 R123K14-V125 VanDerWaalsContact CE-C 3.49Å; K14-V125 WeakPolarHBondContact CE-O 3.43Å; K14-V125 PolarHBondContact NZ-O 3.26Å; I18-V125 HydrophobicContact CD1-CG2 3.81Å; I18-V125 HydrophobicContact CG1-CG2 4.13Å; L56-V125 HydrophobicContact CD1-CG2 3.93Å; L56-V125 HydrophobicContact CD2-CG2 3.71Å; L56-V125 HydrophobicContact CG-CG2 3.94Å; V60-V125 HydrophobicContact CG2-CG1 4.07Å; V60-V125 HydrophobicContact CG2-CG2 4.22Å; L96-V125 HydrophobicContact CB-CG1 4.47Å; L96-V125 HydrophobicContact CD2-CG1 3.41Å; L96-V125 VanDerWaalsContact CD2-CG1 3.41Å; L96-V125 HydrophobicContact CG-CG1 3.6Å; T103-V125 HydrophobicContact CG2-CG1 4.28Å; L121-V125 WeakPolarHBondContact O-CB 3.47Å; L121-V125 VanDerWaalsContact O-CG2 3.23Å; L121-V125 WeakPolarHBondContact O-CG2 3.12Å; L121-V125 PolarHBondContact O-N 2.95Å; A122-V125 CarbonylContact O-C 3.39Å; A122-V125 WeakPolarHBondContact O-CB 3.19Å; A122-V125 PolarHBondContact O-N 2.83Å; A122-V125 VanDerWaalsContact O-N 3.16Å; R123-V125 VanDerWaalsContact C-N 3.32Å
126H91Very high85.5Confident53 Ų5356.4 Ų56.425%0.24532%0.318CS..Hα-helixtrans-99.5-7.5177.9-79.2-88.2000113.5C97 T99 E100 T103 A122 R123 V124 D128C97-H126 PolarHBondContact O-CE1 2.88Å; C97-H126 VanDerWaalsContact O-CE1 3.28Å; T99-H126 VanDerWaalsContact C-CE1 3.49Å; T99-H126 PolarHBondContact O-NE2 3.29Å; E100-H126 HydrophobicContact CB-CB 4.32Å; T103-H126 PolarHBondContact OG1-NE2 3.34Å; A122-H126 PolarHBondContact O-CD2 2.95Å; A122-H126 VanDerWaalsContact O-CD2 3.27Å; A122-H126 PolarHBondContact O-N 2.94Å; R123-H126 PolarHBondContact O-N 3.29Å; V124-H126 VanDerWaalsContact C-N 3.31Å; V124-H126 PolarHBondContact O-N 3Å; H126-D128 PolarHBondContact O-N 3.44Å
127Q90.7Very high85.2Confident103 Ų10355.8 Ų55.848%0.48131%0.311SS..  trans-69.1126.4179.1-173.8173.24.400111.4K14 R123 V124K14-Q127 WeakPolarHBondContact CE-O 3.22Å; R123-Q127 WeakPolarHBondContact O-CB 3.47Å; R123-Q127 PolarHBondContact O-N 3.18Å; V124-Q127 PolarHBondContact O-N 3.25Å
128D87.1Confident85Confident152 Ų15259.9 Ų59.981%0.81334%0.339SS*.  trans-69.1134.9169.9-72.5-36.8000110.9H126H126-D128 PolarHBondContact O-N 3.44Å
129V87.8Confident84.3Confident34 Ų3461.4 Ų61.421%0.20635%0.348CS..  trans-117.7123176.8-1770000108.7E13 K14E13-V129 HydrophobicContact CB-CG1 3.89Å; E13-V129 HydrophobicContact CG-CG1 3.75Å; K14-V129 HydrophobicContact CB-CG2 4.02Å; K14-V129 HydrophobicContact CG-CG2 4.33Å
130A80.9Confident83.8Confident97 Ų9765.8 Ų65.880%0.80237%0.369SS*.  trans-96.4124.5170.700000109.4
131F78.8Confident83.7Confident47 Ų4764.8 Ų64.821%0.20636%0.357CS..  trans-114.7131.9171.6-168.2-89.7000109.9L9 D133 C219L9-F131 HydrophobicContact CB-CB 4.37Å; L9-F131 HydrophobicContact CB-CD1 3.72Å; L9-F131 HydrophobicContact CB-CE1 4.1Å; L9-F131 HydrophobicContact CB-CG 3.98Å; L9-F131 HydrophobicContact CD1-CD1 3.85Å; L9-F131 HydrophobicContact CD1-CE1 3.69Å; L9-F131 HydrophobicContact CD2-CE1 4.04Å; L9-F131 HydrophobicContact CD2-CZ 4.2Å; L9-F131 HydrophobicContact CG-CD1 4.25Å; L9-F131 HydrophobicContact CG-CE1 4.17Å; F131-D133 HydrophobicContact CE1-CB 3.9Å; F131-C219 HydrophobicContact CE2-CB 4.24Å; F131-C219 HydrophobicContact CZ-CB 4.43Å
132T75.8Confident83.7Confident110 Ų11069.2 Ų69.268%0.67538%0.381SS*.  trans-124.8125.8178.656.70000109.6
133D81.4Confident83.6Confident24 Ų2469.8 Ų69.813%0.12838%0.384CS..  trans-134.7115.5172.1-174.4-53.9000108.4F131 T135 L136 D137 W221F131-D133 HydrophobicContact CE1-CB 3.9Å; D133-T135 PolarHBondContact O-N 2.93Å; D133-T135 VanDerWaalsContact O-N 3.08Å; D133-T135 WeakPolarHBondContact OD1-CA 3.33Å; D133-T135 WeakPolarHBondContact OD1-CB 3.41Å; D133-T135 PolarHBondContact OD1-N 2.78Å; D133-T135 PolarHBondContact OD1-OG1 2.91Å; D133-L136 HydrophobicContact CB-CB 4.23Å; D133-L136 HydrophobicContact CB-CD1 4.07Å; D133-L136 HydrophobicContact CB-CG 4.38Å; D133-L136 PolarHBondContact O-N 2.97Å; D133-L136 PolarHBondContact OD1-N 3.15Å; D133-D137 PolarHBondContact O-N 3.32Å; D133-W221 PolarHBondContact OD2-NE1 3.05Å
134P78.9Confident83.6Confident100 Ų10065.4 Ų65.465%0.64938%0.375SS*.Hα-helixtrans-56.5-28.8-176.8-26.534.3000114.1S138P134-S138 WeakPolarHBondContact O-CB 3.2Å; P134-S138 PolarHBondContact O-N 2.73Å; P134-S138 PolarHBondContact O-OG 2.91Å
135T80.3Confident83.6Confident44 Ų4467 Ų6727%0.2738%0.381SS..Hα-helixtrans-71.9-38.3179.4-34.70000110.8D133 S138 T139 W221 M230D133-T135 PolarHBondContact O-N 2.93Å; D133-T135 VanDerWaalsContact O-N 3.08Å; D133-T135 WeakPolarHBondContact OD1-CA 3.33Å; D133-T135 WeakPolarHBondContact OD1-CB 3.41Å; D133-T135 PolarHBondContact OD1-N 2.78Å; D133-T135 PolarHBondContact OD1-OG1 2.91Å; T135-S138 PolarHBondContact O-OG 3.39Å; T135-T139 PolarHBondContact O-OG1 2.78Å; T135-W221 HydrophobicContact CG2-CH2 4.09Å; T135-W221 HydrophobicContact CG2-CZ2 4.38Å; T135-M230 HydrophobicContact CG2-CE 3.83Å; T135-M230 WeakPolarHBondContact O-CE 3.03Å
136L80.2Confident83.8Confident6 Ų672.7 Ų72.73%0.03141%0.411CS..Hα-helixtrans-78.3-32.6175.4-73.3168000112.6S2 L5 L9 D133 S138 T139 W221S2-L136 PolarHBondContact OG-O 2.81Å; L5-L136 HydrophobicContact CD2-CD2 3.62Å; L5-L136 HydrophobicContact CG-CD1 4.44Å; L5-L136 HydrophobicContact CG-CD2 4.18Å; L9-L136 HydrophobicContact CD1-CD1 3.15Å; D133-L136 HydrophobicContact CB-CB 4.23Å; D133-L136 HydrophobicContact CB-CD1 4.07Å; D133-L136 HydrophobicContact CB-CG 4.38Å; D133-L136 PolarHBondContact O-N 2.97Å; D133-L136 PolarHBondContact OD1-N 3.15Å; L136-S138 PolarHBondContact O-N 3Å; L136-T139 PolarHBondContact O-N 3.03Å; L136-W221 HydrophobicContact CD1-CD2 3.93Å; L136-W221 HydrophobicContact CD1-CE3 4.41Å; L136-W221 HydrophobicContact CD1-CG 4.37Å; L136-W221 HydrophobicContact CD1-CH2 4.37Å; L136-W221 HydrophobicContact CD1-CZ2 3.88Å; L136-W221 HydrophobicContact CD2-CD2 4.49Å; L136-W221 HydrophobicContact CD2-CE3 4.17Å; L136-W221 HydrophobicContact CD2-CH2 3.84Å; L136-W221 HydrophobicContact CD2-CZ2 4.16Å; L136-W221 HydrophobicContact CD2-CZ3 3.82Å; L136-W221 HydrophobicContact CG-CD2 4.33Å; L136-W221 HydrophobicContact CG-CE3 4.45Å; L136-W221 HydrophobicContact CG-CH2 3.74Å; L136-W221 HydrophobicContact CG-CZ2 3.57Å; L136-W221 HydrophobicContact CG-CZ3 4.17Å
137D79Confident83.9Confident83 Ų8371.1 Ų71.144%0.44440%0.404SS..Hα-helixtrans-63.8-30.4175.9-65.9-31.4000112.1R6 D133R6-D137 IonicContact CZ-OD1 3.15Å; R6-D137 IonicContact NH1-OD1 3.15Å; R6-D137 PolarHBondContact NH1-OD1 3.37Å; R6-D137 IonicContact NH2-OD1 2.62Å; R6-D137 PolarHBondContact NH2-OD1 2.74Å; D133-D137 PolarHBondContact O-N 3.32Å
138S77.7Confident84.2Confident94 Ų9466.2 Ų66.266%0.65738%0.382SS*.THydrogen-bonded Turntrans-91.5-0.1-177.950.50000114.6P134 T135 L136P134-S138 WeakPolarHBondContact O-CB 3.2Å; P134-S138 PolarHBondContact O-N 2.73Å; P134-S138 PolarHBondContact O-OG 2.91Å; T135-S138 PolarHBondContact O-OG 3.39Å; L136-S138 PolarHBondContact O-N 3Å
139T73.8Confident84.8Confident33 Ų3359 Ų5920%0.20234%0.343CS..  trans-120127.4-171-55.10000112.6S2 T135 L136 I141 M230S2-T139 PolarHBondContact OG-O 3.17Å; T135-T139 PolarHBondContact O-OG1 2.78Å; L136-T139 PolarHBondContact O-N 3.03Å; T139-I141 HydrophobicContact CG2-CD1 3.64Å; T139-I141 HydrophobicContact CG2-CG1 3.66Å; T139-M230 HydrophobicContact CG2-CE 3.7Å; T139-M230 HydrophobicContact CG2-SD 3.32Å; T139-M230 WeakPolarHBondContact CG2-SD 2.95Å; T139-M230 WeakPolarHBondContact OG1-CE 3.5Å
140E79.7Confident85.3Confident185 Ų18557.4 Ų57.486%0.86433%0.333SS*.  trans-108.3101173.6-64.3-175173.300110.2
141I84.4Confident86.1Confident19 Ų1953 Ų5310%0.09730%0.296CS..  trans-126121.2172.9-62169.2000107.2M1 T139 V143 L223 Y225 T228 M230M1-I141 CarbonylContact C-O 3.46Å; T139-I141 HydrophobicContact CG2-CD1 3.64Å; T139-I141 HydrophobicContact CG2-CG1 3.66Å; I141-V143 HydrophobicContact CG2-CG2 3.99Å; I141-L223 HydrophobicContact CD1-CD1 4.01Å; I141-L223 HydrophobicContact CD1-CD2 3.5Å; I141-L223 VanDerWaalsContact CD1-CD2 3.5Å; I141-L223 HydrophobicContact CD1-CG 4.43Å; I141-L223 HydrophobicContact CG2-CD1 4.44Å; I141-Y225 HydrophobicContact CG2-CD1 4.02Å; I141-T228 HydrophobicContact CD1-CG2 3.41Å; I141-T228 VanDerWaalsContact CD1-CG2 3.41Å; I141-T228 HydrophobicContact CG1-CG2 4.28Å; I141-M230 HydrophobicContact CD1-SD 3.78Å
142N87Confident87Confident102 Ų10250.8 Ų50.855%0.54529%0.286SS..  trans-99.1117.3173.7-172.75.2000109.4M1M1-N142 HydrophobicContact CB-CB 4.27Å; M1-N142 HydrophobicContact SD-CB 3.8Å; M1-N142 PolarHBondContact SD-ND2 2.88Å
143V88.9Confident88.1Confident12 Ų1245.6 Ų45.67%0.07325%0.254CS..  trans-106.9122.3172.2-168.60000107.5I141 Q145 I147 L148 L197 Y225I141-V143 HydrophobicContact CG2-CG2 3.99Å; V143-Q145 PolarHBondContact O-N 3.34Å; V143-I147 HydrophobicContact CG1-CD1 4.27Å; V143-L148 HydrophobicContact CG1-CD2 3.74Å; V143-L197 HydrophobicContact CG1-CD1 4.26Å; V143-Y225 HydrophobicContact CG1-CD2 4.17Å; V143-Y225 HydrophobicContact CG1-CE2 3.94Å; V143-Y225 HydrophobicContact CG2-CD1 3.92Å; V143-Y225 HydrophobicContact CG2-CD2 4.43Å; V143-Y225 HydrophobicContact CG2-CE1 4.2Å; V143-Y225 HydrophobicContact CG2-CG 4.03Å
144P91.6Very high88.8Confident52 Ų5244.5 Ų44.534%0.33825%0.248SC..  trans-58.4131.5-179.4-22.232.3000111.2D146 I147 L148 Y225P144-D146 VanDerWaalsContact C-N 3.3Å; P144-D146 WeakPolarHBondContact CB-OD1 3.12Å; P144-D146 PolarHBondContact O-N 3.27Å; P144-I147 HydrophobicContact CB-CG1 4.26Å; P144-I147 WeakPolarHBondContact O-CG1 3.23Å; P144-L148 WeakPolarHBondContact O-CG 3.33Å; P144-Y225 WeakPolarHBondContact CD-OH 3.32Å
145Q91.3Very high89.7Confident58 Ų5839.7 Ų39.727%0.27122%0.217SC..G310 helixtrans-67.8-31.5-175.8-174.1-171.5-53.100112.7F69 P70 L72 V143 I147 L148F69-Q145 PolarHBondContact O-NE2 3.31Å; P70-Q145 PolarHBondContact O-NE2 3.4Å; L72-Q145 HydrophobicContact CB-CG 4.41Å; L72-Q145 HydrophobicContact CD1-CG 4.06Å; V143-Q145 PolarHBondContact O-N 3.34Å; Q145-I147 PolarHBondContact O-N 2.76Å; Q145-L148 WeakPolarHBondContact O-CB 3.44Å; Q145-L148 PolarHBondContact O-N 2.83Å; Q145-L148 VanDerWaalsContact O-N 3.12Å
146D93Very high90.5Very high118 Ų11838.1 Ų38.163%0.63121%0.207SC*.G310 helixtrans-69-13.2-175.761.3-41.9000114.2P144 I191P144-D146 VanDerWaalsContact C-N 3.3Å; P144-D146 WeakPolarHBondContact CB-OD1 3.12Å; P144-D146 PolarHBondContact O-N 3.27Å; D146-I191 VanDerWaalsContact O-CD1 3.25Å; D146-I191 WeakPolarHBondContact O-CD1 3.23Å
147I94.8Very high91.3Very high21 Ų2138.7 Ų38.711%0.10821%0.211CC..G310 helixtrans-98.81.2174.766160.5000113V143 P144 Q145 D190 I191 Y225V143-I147 HydrophobicContact CG1-CD1 4.27Å; P144-I147 HydrophobicContact CB-CG1 4.26Å; P144-I147 WeakPolarHBondContact O-CG1 3.23Å; Q145-I147 PolarHBondContact O-N 2.76Å; I147-D190 CarbonylContact O-C 3.56Å; I147-D190 WeakPolarHBondContact O-CA 3.45Å; I147-I191 PolarHBondContact O-N 2.91Å; I147-Y225 HydrophobicContact CD1-CE2 4.34Å
148L96.9Very high92Very high0 Ų035.3 Ų35.30%019%0.194CC..EExtended strand (participates in β ladder)trans-98.6130.4-169.4-57.4-178.4000113I4 L72 H75 V143 P144 Q145 V188 I191 L197 M198I4-L148 HydrophobicContact CD1-CD1 3.42Å; I4-L148 VanDerWaalsContact CD1-CD1 3.42Å; L72-L148 HydrophobicContact CD1-CB 4.04Å; H75-L148 VanDerWaalsContact CB-O 3.28Å; H75-L148 WeakPolarHBondContact CB-O 3.42Å; V143-L148 HydrophobicContact CG1-CD2 3.74Å; P144-L148 WeakPolarHBondContact O-CG 3.33Å; Q145-L148 WeakPolarHBondContact O-CB 3.44Å; Q145-L148 PolarHBondContact O-N 2.83Å; Q145-L148 VanDerWaalsContact O-N 3.12Å; L148-V188 HydrophobicContact CB-CG1 4.06Å; L148-V188 HydrophobicContact CD1-CG1 4.31Å; L148-V188 HydrophobicContact CD2-CG1 3.81Å; L148-V188 HydrophobicContact CG-CG1 4.27Å; L148-I191 VanDerWaalsContact C-CG2 3.5Å; L148-L197 HydrophobicContact CD2-CD1 3.69Å; L148-M198 HydrophobicContact CD1-CE 4.24Å; L148-M198 HydrophobicContact CD2-CE 4.43Å
149G97.7Very high92.7Very high0 Ų037.1 Ų37.10%019%0.187CC..EExtended strand (participates in β ladder)trans-113.6149.6160.900000110.2H75 V188 Y189 I191H75-G149 CarbonylContact O-C 3.59Å; H75-G149 WeakPolarHBondContact O-CA 3.46Å; G149-V188 CarbonylContact O-C 3.51Å; G149-V188 VanDerWaalsContact O-CA 3.29Å; G149-V188 WeakPolarHBondContact O-CA 3.41Å; G149-V188 WeakPolarHBondContact O-CG1 3.41Å; G149-Y189 VanDerWaalsContact C-CD1 3.5Å; G149-Y189 PolarHBondContact N-O 2.77Å; G149-Y189 VanDerWaalsContact O-CD1 3.23Å; G149-Y189 WeakPolarHBondContact O-CD1 3.39Å; G149-Y189 PolarHBondContact O-N 3.15Å; G149-I191 VanDerWaalsContact N-CG2 3.31Å
150I98.4Very high93.7Very high1 Ų136.3 Ų36.31%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-124131.1179.3-57.6-173.7000109L8 M65 L72 H75 I76 F77 V152 I186 G187 V188L8-I150 HydrophobicContact CD2-CD1 4.42Å; M65-I150 HydrophobicContact CE-CD1 4.32Å; L72-I150 HydrophobicContact CD2-CD1 3.75Å; L72-I150 HydrophobicContact CG-CD1 4.24Å; H75-I150 PolarHBondContact O-N 2.86Å; I76-I150 HydrophobicContact CG1-CB 4.17Å; I76-I150 HydrophobicContact CG1-CD1 4.17Å; I76-I150 HydrophobicContact CG1-CG1 4.45Å; I76-I150 HydrophobicContact CG2-CG2 4.5Å; F77-I150 PolarHBondContact N-O 2.82Å; I150-V152 HydrophobicContact CG2-CG2 3.9Å; I150-I186 HydrophobicContact CG2-CG2 3.68Å; I150-G187 CarbonylContact C-O 3.53Å; I150-G187 VanDerWaalsContact CA-O 3.27Å; I150-G187 WeakPolarHBondContact CA-O 3.44Å; I150-V188 HydrophobicContact CD1-CG2 4.45Å; I150-V188 HydrophobicContact CG1-CG1 4.28Å; I150-V188 HydrophobicContact CG1-CG2 4.19Å
151W98.5Very high94.5Very high5 Ų527.5 Ų27.52%0.01914%0.14CC..EExtended strand (participates in β ladder)trans-108.3128.4167-79.8113.6000109.7F77 G187 Y189 K314 W315 C318 Y353 W366F77-W151 HydrophobicContact CB-CD2 4.06Å; F77-W151 HydrophobicContact CB-CE3 3.5Å; F77-W151 HydrophobicContact CB-CH2 3.67Å; F77-W151 HydrophobicContact CB-CZ2 4.2Å; F77-W151 HydrophobicContact CB-CZ3 3.29Å; F77-W151 HydrophobicContact CD2-CZ2 4.48Å; F77-W151 HydrophobicContact CG-CH2 4.28Å; F77-W151 HydrophobicContact CG-CZ3 4.35Å; F77-W151 CarbonylContact O-C 3.57Å; F77-W151 WeakPolarHBondContact O-CA 3.44Å; W151-G187 PolarHBondContact N-O 2.83Å; W151-G187 PolarHBondContact O-N 2.96Å; W151-Y189 AromaticContact CD1-CD1 3.58Å; W151-Y189 AromaticContact CD1-CE1 3.31Å; W151-Y189 HydrophobicContact CG-CE1 4.23Å; W151-Y189 AromaticContact NE1-CE1 3.41Å; W151-Y189 AromaticContact NE1-CZ 3.82Å; W151-K314 HydrophobicContact CD2-CB 3.83Å; W151-K314 HydrophobicContact CE3-CB 4.47Å; W151-K314 HydrophobicContact CG-CB 4.04Å; W151-K314 HydrophobicContact CZ2-CB 4.1Å; W151-K314 HydrophobicContact CZ2-CG 4.3Å; W151-W315 HydrophobicContact CB-CB 4.48Å; W151-W315 HydrophobicContact CE3-CB 4.41Å; W151-W315 AromaticContact CE3-CE3 3.71Å; W151-W315 HydrophobicContact CE3-CE3 3.71Å; W151-W315 HydrophobicContact CE3-CZ3 4.45Å; W151-W315 HydrophobicContact CH2-CE3 4.35Å; W151-W315 HydrophobicContact CH2-CZ3 4.34Å; W151-W315 AromaticContact CZ3-CE3 3.51Å; W151-W315 HydrophobicContact CZ3-CE3 3.51Å; W151-W315 AromaticContact CZ3-CZ3 3.8Å; W151-W315 HydrophobicContact CZ3-CZ3 3.8Å; W151-C318 HydrophobicContact CB-CB 4.09Å; W151-Y353 PolarHBondContact NE1-O 3.12Å; W151-Y353 VanDerWaalsContact NE1-O 3.12Å; W151-W366 HydrophobicContact CH2-CB 4.39Å; W151-W366 AromaticContact CH2-CD1 3.98Å; W151-W366 AromaticContact CH2-CD2 3.62Å; W151-W366 HydrophobicContact CH2-CD2 3.62Å; W151-W366 AromaticContact CH2-CE2 3.81Å; W151-W366 HydrophobicContact CH2-CE3 4.07Å; W151-W366 AromaticContact CH2-CG 3.75Å; W151-W366 HydrophobicContact CH2-CG 3.75Å; W151-W366 HydrophobicContact CH2-CZ2 4.39Å; W151-W366 AromaticContact CH2-NE1 3.99Å; W151-W366 AromaticContact CZ2-CD2 3.76Å; W151-W366 HydrophobicContact CZ2-CD2 3.76Å; W151-W366 AromaticContact CZ2-CE3 3.69Å; W151-W366 HydrophobicContact CZ2-CE3 3.69Å; W151-W366 HydrophobicContact CZ2-CG 4.23Å; W151-W366 HydrophobicContact CZ2-CH2 4.46Å; W151-W366 HydrophobicContact CZ2-CZ3 4.06Å
152V98.4Very high94.9Very high0 Ų028 Ų280%014%0.143CC..EExtended strand (participates in β ladder)trans-117125.7179.8-176.40000110.1Q58 I61 I76 F77 G78 E79 I150 L185 I186 W315Q58-V152 HydrophobicContact CG-CB 4.38Å; Q58-V152 HydrophobicContact CG-CG1 4.19Å; I61-V152 HydrophobicContact CD1-CG1 3.77Å; I61-V152 HydrophobicContact CG2-CG2 4.08Å; I76-V152 HydrophobicContact CG2-CG2 4.08Å; F77-V152 PolarHBondContact O-N 2.85Å; G78-V152 WeakPolarHBondContact CA-O 3.41Å; E79-V152 PolarHBondContact N-O 2.85Å; I150-V152 HydrophobicContact CG2-CG2 3.9Å; V152-L185 WeakPolarHBondContact CA-O 3.13Å; V152-I186 HydrophobicContact CG2-CG2 4.29Å; V152-W315 WeakPolarHBondContact O-CB 3.42Å
153D98.3Very high95.2Very high1 Ų128.2 Ų28.21%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-106.6108.4157.9-175.3-28.1000106.9I155 D156 L185 W315D153-I155 VanDerWaalsContact OD1-C 3.27Å; D153-I155 PolarHBondContact OD1-N 3.23Å; D153-D156 WeakPolarHBondContact OD1-CA 3.29Å; D153-D156 PolarHBondContact OD1-N 2.88Å; D153-D156 WeakPolarHBondContact OD2-CB 3.19Å; D153-L185 HydrophobicContact CB-CB 3.87Å; D153-L185 HydrophobicContact CB-CD1 3.95Å; D153-L185 HydrophobicContact CB-CG 4.09Å; D153-L185 PolarHBondContact N-O 3.12Å; D153-L185 PolarHBondContact O-N 2.96Å; D153-W315 HydrophobicContact CB-CB 4.08Å
154P96.8Very high95.4Very high0 Ų028.4 Ų28.40%014%0.143CC..EExtended strand (participates in β ladder)trans-69.9-39.3-172.227.3-33000112.6D54 V57 Q58 E80 I184D54-P154 HydrophobicContact CB-CB 4.46Å; D54-P154 HydrophobicContact CB-CG 3.9Å; D54-P154 WeakPolarHBondContact O-CB 3.48Å; D54-P154 WeakPolarHBondContact O-CG 3.3Å; V57-P154 HydrophobicContact CB-CB 3.87Å; V57-P154 HydrophobicContact CG1-CB 3.58Å; Q58-P154 HydrophobicContact CB-CB 4.19Å; Q58-P154 HydrophobicContact CB-CG 4.4Å; E80-P154 HydrophobicContact CG-CG 3.92Å; P154-I184 VanDerWaalsContact O-CG1 3.23Å; P154-I184 WeakPolarHBondContact O-CG1 3.32Å
155I97Very high95.5Very high0 Ų027 Ų270%013%0.134CC..EExtended strand (participates in β ladder)trans-147.783175.9-48.2-178.2000109.7A19 A53 D54 D153 S157 T158 Y161 V182A19-I155 HydrophobicContact CB-CD1 4.33Å; A53-I155 HydrophobicContact CB-CD1 3.46Å; A53-I155 VanDerWaalsContact CB-CD1 3.46Å; D54-I155 WeakPolarHBondContact OD1-CB 3.21Å; D153-I155 VanDerWaalsContact OD1-C 3.27Å; D153-I155 PolarHBondContact OD1-N 3.23Å; I155-S157 PolarHBondContact O-N 3.06Å; I155-T158 PolarHBondContact O-N 3.33Å; I155-T158 PolarHBondContact O-OG1 3.22Å; I155-T158 VanDerWaalsContact O-OG1 3.13Å; I155-Y161 HydrophobicContact CD1-CD1 4.01Å; I155-Y161 HydrophobicContact CD1-CE1 3.59Å; I155-Y161 HydrophobicContact CG2-CD1 3.91Å; I155-Y161 HydrophobicContact CG2-CD2 4.21Å; I155-Y161 HydrophobicContact CG2-CE1 4.46Å; I155-Y161 HydrophobicContact CG2-CG 3.76Å; I155-V182 HydrophobicContact CG2-CG1 3.41Å; I155-V182 VanDerWaalsContact CG2-CG1 3.41Å
156D97.7Very high95.6Very high11 Ų1125.3 Ų25.36%0.05913%0.13CC..EExtended strand (participates in β ladder)trans-57.6141.2172.9170.847000109.1D153 V182 T183 L185 G289 A290 G291 Y292D153-D156 WeakPolarHBondContact OD1-CA 3.29Å; D153-D156 PolarHBondContact OD1-N 2.88Å; D153-D156 WeakPolarHBondContact OD2-CB 3.19Å; D156-V182 WeakPolarHBondContact O-CA 3.36Å; D156-T183 WeakPolarHBondContact CB-O 3.17Å; D156-T183 WeakPolarHBondContact CB-OG1 3.36Å; D156-T183 PolarHBondContact N-O 2.93Å; D156-T183 PolarHBondContact O-N 2.91Å; D156-T183 PolarHBondContact OD2-OG1 3.37Å; D156-T183 VanDerWaalsContact OD2-OG1 3.06Å; D156-L185 HydrophobicContact CB-CD1 4.08Å; D156-L185 HydrophobicContact CB-CG 4.37Å; D156-G289 WeakPolarHBondContact OD2-CA 3.44Å; D156-A290 PolarHBondContact OD1-N 3.23Å; D156-A290 PolarHBondContact OD2-N 3.35Å; D156-A290 VanDerWaalsContact OD2-N 3.08Å; D156-G291 VanDerWaalsContact OD2-CA 3.29Å; D156-G291 WeakPolarHBondContact OD2-CA 3.46Å; D156-G291 PolarHBondContact OD2-N 2.76Å; D156-Y292 PolarHBondContact OD2-N 2.84Å
157S95.6Very high95.5Very high17 Ų1726.3 Ų26.312%0.11914%0.136CC..THydrogen-bonded Turntrans67.643.3-176.2-161.50000113.6I155 Y159 Q160 Y161 C181 G289I155-S157 PolarHBondContact O-N 3.06Å; S157-Y159 PolarHBondContact O-N 2.71Å; S157-Q160 WeakPolarHBondContact O-CA 3.36Å; S157-Q160 WeakPolarHBondContact O-CB 3.28Å; S157-Q160 PolarHBondContact O-N 3.34Å; S157-Q160 WeakPolarHBondContact OG-CB 3.47Å; S157-Q160 WeakPolarHBondContact OG-CG 3.49Å; S157-Y161 PolarHBondContact O-N 3.43Å; S157-C181 WeakPolarHBondContact CB-O 3.47Å; S157-G289 PolarHBondContact OG-N 3.26Å
158T94.1Very high95.5Very high13 Ų1327.4 Ų27.48%0.0814%0.141CC..Hα-helixtrans-45.6-38.5177.2-36.20000113T51 I155 Q160 Y161 I162T51-T158 HydrophobicContact CG2-CG2 4.04Å; I155-T158 PolarHBondContact O-N 3.33Å; I155-T158 PolarHBondContact O-OG1 3.22Å; I155-T158 VanDerWaalsContact O-OG1 3.13Å; T158-Q160 PolarHBondContact O-N 3.44Å; T158-Y161 CarbonylContact O-C 3.58Å; T158-Y161 WeakPolarHBondContact O-CB 3.49Å; T158-Y161 PolarHBondContact O-N 3.05Å; T158-I162 HydrophobicContact CG2-CD1 4.07Å; T158-I162 HydrophobicContact CG2-CG1 4.48Å; T158-I162 WeakPolarHBondContact O-CB 3.09Å; T158-I162 VanDerWaalsContact O-CG1 3.32Å; T158-I162 WeakPolarHBondContact O-CG1 3.44Å; T158-I162 PolarHBondContact O-N 2.88Å
159Y93Very high95.3Very high132 Ų13236.1 Ų36.152%0.51818%0.179SC..Hα-helixtrans-58.5-44.3174.3176.1-94.1000113.5S157 I162 K163S157-Y159 PolarHBondContact O-N 2.71Å; Y159-I162 PolarHBondContact O-N 2.95Å; Y159-K163 HydrophobicContact CE1-CD 4.15Å; Y159-K163 VanDerWaalsContact O-CB 3.31Å; Y159-K163 WeakPolarHBondContact O-CB 3.37Å; Y159-K163 PolarHBondContact O-N 3.23Å
160Q95.6Very high95.2Very high16 Ų1638.7 Ų38.78%0.07520%0.197CC..Hα-helixtrans-71.2-36.7176.8-60.9-61.4-33.300111.1S157 T158 I162 K163 G164 C181 V182 A288S157-Q160 WeakPolarHBondContact O-CA 3.36Å; S157-Q160 WeakPolarHBondContact O-CB 3.28Å; S157-Q160 PolarHBondContact O-N 3.34Å; S157-Q160 WeakPolarHBondContact OG-CB 3.47Å; S157-Q160 WeakPolarHBondContact OG-CG 3.49Å; T158-Q160 PolarHBondContact O-N 3.44Å; Q160-I162 VanDerWaalsContact C-N 3.29Å; Q160-I162 PolarHBondContact O-N 2.92Å; Q160-K163 PolarHBondContact O-N 2.77Å; Q160-G164 PolarHBondContact O-N 2.83Å; Q160-C181 HydrophobicContact CG-CB 4.32Å; Q160-V182 HydrophobicContact CB-CG2 4.28Å; Q160-A288 HydrophobicContact CG-CB 3.53Å
161Y95.5Very high94.9Very high0 Ų043.1 Ų43.10%022%0.221CC..Hα-helixtrans-58.8-42.6172.7179.7-120.3000111.2A19 C22 R23 F29 T51 A53 I155 S157 T158 L179 V182 F205A19-Y161 WeakPolarHBondContact CA-OH 3.11Å; A19-Y161 HydrophobicContact CB-CE2 4.25Å; A19-Y161 PolarHBondContact O-OH 2.69Å; C22-Y161 VanDerWaalsContact CB-OH 3.23Å; C22-Y161 WeakPolarHBondContact CB-OH 3.42Å; R23-Y161 HydrophobicContact CG-CD2 4.23Å; R23-Y161 HydrophobicContact CG-CE2 3.47Å; R23-Y161 VanDerWaalsContact CG-CE2 3.47Å; R23-Y161 PolarHBondContact NH1-O 2.9Å; F29-Y161 HydrophobicContact CE2-CD1 4.1Å; F29-Y161 AromaticContact CE2-CE1 3.39Å; F29-Y161 HydrophobicContact CE2-CE1 3.39Å; F29-Y161 HydrophobicContact CE2-CE2 4.48Å; F29-Y161 AromaticContact CE2-CZ 3.62Å; F29-Y161 AromaticContact CZ-CD1 3.81Å; F29-Y161 HydrophobicContact CZ-CD1 3.81Å; F29-Y161 AromaticContact CZ-CE1 3.59Å; F29-Y161 HydrophobicContact CZ-CE1 3.59Å; T51-Y161 HydrophobicContact CG2-CD1 4.23Å; T51-Y161 HydrophobicContact CG2-CE1 4.24Å; A53-Y161 HydrophobicContact CB-CE1 4.11Å; I155-Y161 HydrophobicContact CD1-CD1 4.01Å; I155-Y161 HydrophobicContact CD1-CE1 3.59Å; I155-Y161 HydrophobicContact CG2-CD1 3.91Å; I155-Y161 HydrophobicContact CG2-CD2 4.21Å; I155-Y161 HydrophobicContact CG2-CE1 4.46Å; I155-Y161 HydrophobicContact CG2-CG 3.76Å; S157-Y161 PolarHBondContact O-N 3.43Å; T158-Y161 CarbonylContact O-C 3.58Å; T158-Y161 WeakPolarHBondContact O-CB 3.49Å; T158-Y161 PolarHBondContact O-N 3.05Å; Y161-L179 HydrophobicContact CD2-CD2 4.27Å; Y161-V182 HydrophobicContact CD2-CG1 4.34Å; Y161-V182 HydrophobicContact CD2-CG2 4.49Å; Y161-F205 AromaticContact CD2-CE2 3.81Å; Y161-F205 HydrophobicContact CD2-CE2 3.81Å; Y161-F205 HydrophobicContact CD2-CZ 4.22Å; Y161-F205 AromaticContact CE2-CE2 3.83Å; Y161-F205 HydrophobicContact CE2-CE2 3.83Å; Y161-F205 AromaticContact CE2-CZ 3.84Å; Y161-F205 HydrophobicContact CE2-CZ 3.84Å
162I92.3Very high94.6Very high30 Ų3049.1 Ų49.115%0.15425%0.249CC..Hα-helixtrans-67.9-51.6176.7-70.6165.4000111.3R23 F29 I33 F49 T51 T158 Y159 Q160 G164R23-I162 PolarHBondContact NH1-O 3.3Å; F29-I162 HydrophobicContact CE1-CB 4.26Å; F29-I162 HydrophobicContact CE1-CG1 4.08Å; F29-I162 HydrophobicContact CE1-CG2 4.42Å; F29-I162 HydrophobicContact CZ-CG1 4.12Å; I33-I162 HydrophobicContact CD1-CB 4.45Å; I33-I162 HydrophobicContact CD1-CD1 4.27Å; I33-I162 HydrophobicContact CD1-CG1 4Å; I33-I162 HydrophobicContact CD1-CG2 3.68Å; I33-I162 HydrophobicContact CG1-CD1 4.35Å; I33-I162 HydrophobicContact CG1-CG1 4.25Å; I33-I162 HydrophobicContact CG2-CD1 3.88Å; F49-I162 HydrophobicContact CB-CD1 3.71Å; F49-I162 HydrophobicContact CD2-CD1 4.31Å; F49-I162 HydrophobicContact CG-CD1 4.15Å; T51-I162 HydrophobicContact CG2-CD1 4.22Å; T51-I162 HydrophobicContact CG2-CG1 4.03Å; T158-I162 HydrophobicContact CG2-CD1 4.07Å; T158-I162 HydrophobicContact CG2-CG1 4.48Å; T158-I162 WeakPolarHBondContact O-CB 3.09Å; T158-I162 VanDerWaalsContact O-CG1 3.32Å; T158-I162 WeakPolarHBondContact O-CG1 3.44Å; T158-I162 PolarHBondContact O-N 2.88Å; Y159-I162 PolarHBondContact O-N 2.95Å; Q160-I162 VanDerWaalsContact C-N 3.29Å; Q160-I162 PolarHBondContact O-N 2.92Å; I162-G164 PolarHBondContact O-N 3.08Å
163K93.3Very high94.3Very high106 Ų10650.7 Ų50.746%0.46127%0.266SS..Hα-helixtrans-59.1-34.3-177.6-174.2179.7178179.90112.7Y159 Q160 S165Y159-K163 HydrophobicContact CE1-CD 4.15Å; Y159-K163 VanDerWaalsContact O-CB 3.31Å; Y159-K163 WeakPolarHBondContact O-CB 3.37Å; Y159-K163 PolarHBondContact O-N 3.23Å; Q160-K163 PolarHBondContact O-N 2.77Å; K163-S165 VanDerWaalsContact C-N 3.3Å; K163-S165 WeakPolarHBondContact CE-OG 3.45Å; K163-S165 PolarHBondContact O-N 3.02Å
164G93.5Very high94.3Very high15 Ų1550.8 Ų50.816%0.15527%0.266CS..  trans73.41316600000116.7Q160 I162 A166Q160-G164 PolarHBondContact O-N 2.83Å; I162-G164 PolarHBondContact O-N 3.08Å; G164-A166 PolarHBondContact O-N 3.32Å
165S94.3Very high94.3Very high22 Ų2252.9 Ų52.915%0.15428%0.275CS..  trans-63.9119.9-178.4-53.40000110.8K163 G178 L179K163-S165 VanDerWaalsContact C-N 3.3Å; K163-S165 WeakPolarHBondContact CE-OG 3.45Å; K163-S165 PolarHBondContact O-N 3.02Å; S165-G178 VanDerWaalsContact O-CA 3.29Å; S165-G178 WeakPolarHBondContact O-CA 3.49Å; S165-L179 PolarHBondContact O-N 2.9Å
166A92.9Very high94.3Very high24 Ų2455.4 Ų55.420%0.19829%0.292CS..  trans-104.9-18.4-172.800000113.5G164 W215G164-A166 PolarHBondContact O-N 3.32Å; A166-W215 HydrophobicContact CB-CH2 3.99Å; A166-W215 HydrophobicContact CB-CZ2 3.57Å
167D91Very high94.3Very high138 Ų13856.4 Ų56.474%0.73830%0.299SS*.  trans-107.716.8-166.457.7-40.4000113.2
168I94.4Very high94.4Very high44 Ų4455.6 Ų55.623%0.22629%0.293CS..PPolyproline II helixtrans-71.2134.3176.9-53.5-55.5000110.1F175 P176 C177I168-F175 HydrophobicContact CG2-CD1 4.47Å; I168-F175 VanDerWaalsContact O-CE1 3.29Å; I168-F175 WeakPolarHBondContact O-CE1 3.43Å; I168-P176 HydrophobicContact CG2-CG 4.06Å; I168-C177 WeakPolarHBondContact CG2-O 3.38Å
169K93.5Very high94.5Very high184 Ų18455.1 Ų55.180%0.829%0.29SS*.PPolyproline II helixtrans-89.1137.3173.6-65.2-176.5-179.1179.30110.3
170S94.3Very high94.8Very high54 Ų5449.5 Ų49.538%0.37827%0.269SS..PPolyproline II helixtrans-71.2144.3171.565.10000111.4I174S170-I174 CarbonylContact C-O 3.57Å; S170-I174 VanDerWaalsContact CA-O 3.31Å; S170-I174 WeakPolarHBondContact CA-O 3.39Å
171N92.9Very high94.9Very high93 Ų9348.7 Ų48.750%0.49727%0.265SS..BIsolated β-bridgetrans-96.5112.9163-176.99.7000108.6G173 I174N171-G173 PolarHBondContact O-N 3.25Å; N171-I174 PolarHBondContact N-O 3.41Å; N171-I174 PolarHBondContact O-N 3.17Å
172Q91.8Very high95Very high131 Ų13148.8 Ų48.861%0.61227%0.265SS*.THydrogen-bonded Turntrans52.737.8-177.6-58.5-179.827.400113.9I174 F285Q172-I174 VanDerWaalsContact C-N 3.31Å; Q172-I174 PolarHBondContact O-N 2.82Å; Q172-F285 HydrophobicContact CB-CE1 4.07Å; Q172-F285 HydrophobicContact CB-CZ 4.26Å; Q172-F285 HydrophobicContact CG-CE1 4.24Å; Q172-F285 HydrophobicContact CG-CZ 4.46Å
173G93.5Very high95.3Very high34 Ų3447.3 Ų47.335%0.35126%0.258SS..THydrogen-bonded Turntrans85.1-4.8-178.800000115N171N171-G173 PolarHBondContact O-N 3.25Å
174I97.1Very high95.6Very high3 Ų342.3 Ų42.32%0.01524%0.236CC..BIsolated β-bridgetrans-102.5124.3178.8-58158.8000109.4S170 N171 Q172 V263 F285 A287 Y292 L301 V302S170-I174 CarbonylContact C-O 3.57Å; S170-I174 VanDerWaalsContact CA-O 3.31Å; S170-I174 WeakPolarHBondContact CA-O 3.39Å; N171-I174 PolarHBondContact N-O 3.41Å; N171-I174 PolarHBondContact O-N 3.17Å; Q172-I174 VanDerWaalsContact C-N 3.31Å; Q172-I174 PolarHBondContact O-N 2.82Å; I174-V263 HydrophobicContact CG2-CG2 4.39Å; I174-F285 HydrophobicContact CD1-CB 3.9Å; I174-F285 HydrophobicContact CD1-CD1 3.87Å; I174-F285 HydrophobicContact CD1-CD2 3.48Å; I174-F285 VanDerWaalsContact CD1-CD2 3.48Å; I174-F285 HydrophobicContact CD1-CE1 4.27Å; I174-F285 HydrophobicContact CD1-CE2 3.92Å; I174-F285 HydrophobicContact CD1-CG 3.45Å; I174-F285 VanDerWaalsContact CD1-CG 3.45Å; I174-F285 HydrophobicContact CD1-CZ 4.3Å; I174-F285 HydrophobicContact CG2-CB 4.15Å; I174-A287 HydrophobicContact CG2-CB 4.19Å; I174-Y292 HydrophobicContact CG2-CE1 4.46Å; I174-L301 HydrophobicContact CD1-CB 4.42Å; I174-L301 HydrophobicContact CG1-CB 4.09Å; I174-L301 HydrophobicContact CG1-CD1 4.25Å; I174-V302 HydrophobicContact CD1-CG1 3.39Å
175F97.6Very high95.8Very high43 Ų4341.7 Ų41.719%0.18923%0.229CC..  trans-85124.6176.8-70.2-94.7000109.7I168 C177 Q180 A287 Y292I168-F175 HydrophobicContact CG2-CD1 4.47Å; I168-F175 VanDerWaalsContact O-CE1 3.29Å; I168-F175 WeakPolarHBondContact O-CE1 3.43Å; F175-C177 VanDerWaalsContact C-N 3.3Å; F175-C177 PolarHBondContact O-N 3.39Å; F175-Q180 HydrophobicContact CB-CB 4.09Å; F175-Q180 HydrophobicContact CD1-CB 3.96Å; F175-Q180 HydrophobicContact CD1-CG 3.82Å; F175-Q180 HydrophobicContact CD2-CB 3.82Å; F175-Q180 HydrophobicContact CD2-CG 4.09Å; F175-Q180 HydrophobicContact CE1-CB 4.34Å; F175-Q180 HydrophobicContact CE1-CG 3.73Å; F175-Q180 HydrophobicContact CE2-CB 4.23Å; F175-Q180 HydrophobicContact CE2-CG 4.01Å; F175-Q180 HydrophobicContact CG-CB 3.68Å; F175-Q180 HydrophobicContact CG-CG 4.01Å; F175-Q180 HydrophobicContact CZ-CB 4.48Å; F175-Q180 HydrophobicContact CZ-CG 3.83Å; F175-A287 WeakPolarHBondContact O-CB 3.22Å; F175-Y292 HydrophobicContact CB-CE1 4.2Å; F175-Y292 WeakPolarHBondContact CD2-OH 3.39Å; F175-Y292 PolarHBondContact N-OH 3.5Å; F175-Y292 WeakPolarHBondContact O-CE1 3.15Å
176P97.1Very high96.1Very high54 Ų5440.6 Ų40.635%0.35122%0.222SC..SBendtrans-72.2-28.5178.728.1-34.3000112.6I168 G286 A287 A288I168-P176 HydrophobicContact CG2-CG 4.06Å; P176-G286 VanDerWaalsContact CA-O 3.29Å; P176-G286 WeakPolarHBondContact CA-O 3.31Å; P176-G286 WeakPolarHBondContact CB-O 3.47Å; P176-A287 WeakPolarHBondContact O-CA 3.29Å; P176-A288 PolarHBondContact O-N 2.58Å
177C97.3Very high96.3Very high31 Ų3139.5 Ų39.521%0.20921%0.213CC..SBendtrans-162.6-176.7-179.762.40000109.8I168 F175 C181I168-C177 WeakPolarHBondContact CG2-O 3.38Å; F175-C177 VanDerWaalsContact C-N 3.3Å; F175-C177 PolarHBondContact O-N 3.39Å; C177-C181 VanDerWaalsContact C-SG 3.55Å; C177-C181 VanDerWaalsContact CA-SG 3.56Å
178G96.9Very high96.7Very high0 Ų033 Ų330%018%0.178CC..SBendtrans98.4176.4-179.700000113.5S165 Q180 C181S165-G178 VanDerWaalsContact O-CA 3.29Å; S165-G178 WeakPolarHBondContact O-CA 3.49Å; G178-Q180 PolarHBondContact O-N 3.29Å; G178-Q180 VanDerWaalsContact O-N 3.13Å; G178-C181 WeakPolarHBondContact O-CB 3.41Å; G178-C181 PolarHBondContact O-N 3.25Å
179L97.3Very high96.9Very high3 Ų331.4 Ų31.42%0.01617%0.169CC..G310 helixtrans-60.4-24.1-176.1-74.3172.2000113.2Y161 S165 C181 V182 F205 W215Y161-L179 HydrophobicContact CD2-CD2 4.27Å; S165-L179 PolarHBondContact O-N 2.9Å; L179-C181 PolarHBondContact O-N 3.32Å; L179-V182 HydrophobicContact CD2-CG2 4.37Å; L179-V182 WeakPolarHBondContact O-CB 3.49Å; L179-V182 WeakPolarHBondContact O-CG2 3.22Å; L179-V182 PolarHBondContact O-N 3.43Å; L179-V182 VanDerWaalsContact O-N 3.07Å; L179-F205 HydrophobicContact CB-CB 3.74Å; L179-F205 HydrophobicContact CB-CD1 4.5Å; L179-F205 HydrophobicContact CB-CD2 4.08Å; L179-F205 HydrophobicContact CB-CG 3.87Å; L179-F205 HydrophobicContact CD1-CD1 4.36Å; L179-F205 HydrophobicContact CD2-CD2 4.09Å; L179-F205 HydrophobicContact CD2-CE2 4.13Å; L179-F205 HydrophobicContact CD2-CG 4.46Å; L179-W215 HydrophobicContact CB-CH2 4.37Å; L179-W215 HydrophobicContact CB-CZ2 4.38Å; L179-W215 HydrophobicContact CD1-CH2 4.44Å; L179-W215 HydrophobicContact CD1-CZ2 3.69Å
180Q97.8Very high97.1Very high14 Ų1423.7 Ų23.77%0.06514%0.137CC..G310 helixtrans-61.3-22.8174.2-64.983.3-7.100113.2F175 G178 V182 Q203 F205 Y292F175-Q180 HydrophobicContact CB-CB 4.09Å; F175-Q180 HydrophobicContact CD1-CB 3.96Å; F175-Q180 HydrophobicContact CD1-CG 3.82Å; F175-Q180 HydrophobicContact CD2-CB 3.82Å; F175-Q180 HydrophobicContact CD2-CG 4.09Å; F175-Q180 HydrophobicContact CE1-CB 4.34Å; F175-Q180 HydrophobicContact CE1-CG 3.73Å; F175-Q180 HydrophobicContact CE2-CB 4.23Å; F175-Q180 HydrophobicContact CE2-CG 4.01Å; F175-Q180 HydrophobicContact CG-CB 3.68Å; F175-Q180 HydrophobicContact CG-CG 4.01Å; F175-Q180 HydrophobicContact CZ-CB 4.48Å; F175-Q180 HydrophobicContact CZ-CG 3.83Å; G178-Q180 PolarHBondContact O-N 3.29Å; G178-Q180 VanDerWaalsContact O-N 3.13Å; Q180-V182 VanDerWaalsContact C-N 3.27Å; Q180-Q203 PolarHBondContact O-NE2 3.32Å; Q180-F205 WeakPolarHBondContact CA-O 3.26Å; Q180-Y292 WeakPolarHBondContact O-CD2 3.33Å
181C98.2Very high97.2Very high0 Ų023.5 Ų23.50%013%0.131CC..G310 helixtrans-83.1-1.5177.8-57.70000113.3S157 Q160 C177 G178 L179 A288 Y292S157-C181 WeakPolarHBondContact CB-O 3.47Å; Q160-C181 HydrophobicContact CG-CB 4.32Å; C177-C181 VanDerWaalsContact C-SG 3.55Å; C177-C181 VanDerWaalsContact CA-SG 3.56Å; G178-C181 WeakPolarHBondContact O-CB 3.41Å; G178-C181 PolarHBondContact O-N 3.25Å; L179-C181 PolarHBondContact O-N 3.32Å; C181-A288 HydrophobicContact CB-CB 4.03Å; C181-Y292 HydrophobicContact CB-CD1 4.02Å; C181-Y292 HydrophobicContact CB-CG 4.19Å; C181-Y292 WeakPolarHBondContact O-CB 3.28Å
182V98.4Very high97.4Very high1 Ų125.8 Ų25.81%0.00614%0.139CC..  trans-86.9130.8179.9178.60000109.9I155 D156 Q160 Y161 L179 Q180 P204 F205I155-V182 HydrophobicContact CG2-CG1 3.41Å; I155-V182 VanDerWaalsContact CG2-CG1 3.41Å; D156-V182 WeakPolarHBondContact O-CA 3.36Å; Q160-V182 HydrophobicContact CB-CG2 4.28Å; Y161-V182 HydrophobicContact CD2-CG1 4.34Å; Y161-V182 HydrophobicContact CD2-CG2 4.49Å; L179-V182 HydrophobicContact CD2-CG2 4.37Å; L179-V182 WeakPolarHBondContact O-CB 3.49Å; L179-V182 WeakPolarHBondContact O-CG2 3.22Å; L179-V182 PolarHBondContact O-N 3.43Å; L179-V182 VanDerWaalsContact O-N 3.07Å; Q180-V182 VanDerWaalsContact C-N 3.27Å; V182-P204 WeakPolarHBondContact O-CD 3.41Å; V182-F205 HydrophobicContact CB-CD2 4.16Å; V182-F205 HydrophobicContact CG1-CD2 4.38Å; V182-F205 HydrophobicContact CG1-CE2 4.33Å
183T98.8Very high97.7Very high0 Ų023 Ų230%013%0.13CC..EExtended strand (participates in β ladder)trans-135.6147.5177.840.50000111.5D156 I201 N202 Q203 L295D156-T183 WeakPolarHBondContact CB-O 3.17Å; D156-T183 WeakPolarHBondContact CB-OG1 3.36Å; D156-T183 PolarHBondContact N-O 2.93Å; D156-T183 PolarHBondContact O-N 2.91Å; D156-T183 PolarHBondContact OD2-OG1 3.37Å; D156-T183 VanDerWaalsContact OD2-OG1 3.06Å; T183-I201 HydrophobicContact CG2-CG2 3.6Å; T183-N202 CarbonylContact C-O 3.57Å; T183-N202 WeakPolarHBondContact CA-O 3.47Å; T183-Q203 HydrophobicContact CG2-CG 3.52Å; T183-L295 HydrophobicContact CG2-CD2 4.4Å
184I98.7Very high97.9Very high1 Ų121.3 Ų21.31%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-97.7128163.4-62149.2000106.6A15 A16 I61 P154 I186 I201 N202 P204A15-I184 HydrophobicContact CB-CD1 3.74Å; A15-I184 HydrophobicContact CB-CG1 4.39Å; A15-I184 HydrophobicContact CB-CG2 4.23Å; A16-I184 VanDerWaalsContact CA-CD1 3.45Å; A16-I184 HydrophobicContact CB-CD1 3.72Å; I61-I184 HydrophobicContact CD1-CG2 4.4Å; P154-I184 VanDerWaalsContact O-CG1 3.23Å; P154-I184 WeakPolarHBondContact O-CG1 3.32Å; I184-I186 HydrophobicContact CG2-CG1 4.29Å; I184-I201 WeakPolarHBondContact O-CA 3.45Å; I184-N202 HydrophobicContact CB-CB 4.3Å; I184-N202 HydrophobicContact CD1-CB 4.38Å; I184-N202 PolarHBondContact N-O 2.8Å; I184-N202 PolarHBondContact O-N 3.33Å; I184-P204 HydrophobicContact CD1-CG 3.81Å; I184-P204 HydrophobicContact CG1-CG 4.32Å
185L98.9Very high98Very high1 Ų123.2 Ų23.21%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-117.8123.9-177.2-45.4173.3000109.6V152 D153 D156 I201 D316 A319V152-L185 WeakPolarHBondContact CA-O 3.13Å; D153-L185 HydrophobicContact CB-CB 3.87Å; D153-L185 HydrophobicContact CB-CD1 3.95Å; D153-L185 HydrophobicContact CB-CG 4.09Å; D153-L185 PolarHBondContact N-O 3.12Å; D153-L185 PolarHBondContact O-N 2.96Å; D156-L185 HydrophobicContact CB-CD1 4.08Å; D156-L185 HydrophobicContact CB-CG 4.37Å; L185-I201 HydrophobicContact CD2-CB 4.27Å; L185-I201 HydrophobicContact CD2-CD1 4.39Å; L185-I201 HydrophobicContact CD2-CG1 3.81Å; L185-I201 HydrophobicContact CD2-CG2 3.92Å; L185-D316 WeakPolarHBondContact CD1-O 3.47Å; L185-A319 HydrophobicContact CB-CB 3.93Å
186I98.8Very high98.1Very high0 Ų021.2 Ų21.20%012%0.116CC..EExtended strand (participates in β ladder)trans-128.2105.8173.2-45.1170.8000108.2L8 V11 I61 I150 V152 I184 G199 V200 A319L8-I186 HydrophobicContact CD2-CG2 3.6Å; V11-I186 HydrophobicContact CG2-CD1 4.13Å; I61-I186 HydrophobicContact CD1-CD1 3.75Å; I61-I186 HydrophobicContact CD1-CG1 4.1Å; I61-I186 HydrophobicContact CG1-CD1 4.17Å; I61-I186 HydrophobicContact CG2-CD1 4.26Å; I150-I186 HydrophobicContact CG2-CG2 3.68Å; V152-I186 HydrophobicContact CG2-CG2 4.29Å; I184-I186 HydrophobicContact CG2-CG1 4.29Å; I186-G199 CarbonylContact O-C 3.5Å; I186-G199 WeakPolarHBondContact O-CA 3.03Å; I186-V200 HydrophobicContact CB-CB 4.43Å; I186-V200 PolarHBondContact N-O 2.83Å; I186-V200 PolarHBondContact O-N 3.4Å; I186-A319 WeakPolarHBondContact O-CB 3.47Å
187G98.7Very high98.1Very high1 Ų119.1 Ų19.11%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-106.4134.1-179.700000111I150 W151I150-G187 CarbonylContact C-O 3.53Å; I150-G187 VanDerWaalsContact CA-O 3.27Å; I150-G187 WeakPolarHBondContact CA-O 3.44Å; W151-G187 PolarHBondContact N-O 2.83Å; W151-G187 PolarHBondContact O-N 2.96Å
188V98.6Very high98.1Very high0 Ų017.9 Ų17.90%09%0.094CC..EExtended strand (participates in β ladder)trans-111133.1173.5-167.60000108.9L8 L148 G149 I150 L197 M198L8-V188 HydrophobicContact CD1-CG2 3.43Å; L8-V188 VanDerWaalsContact CD1-CG2 3.43Å; L148-V188 HydrophobicContact CB-CG1 4.06Å; L148-V188 HydrophobicContact CD1-CG1 4.31Å; L148-V188 HydrophobicContact CD2-CG1 3.81Å; L148-V188 HydrophobicContact CG-CG1 4.27Å; G149-V188 CarbonylContact O-C 3.51Å; G149-V188 VanDerWaalsContact O-CA 3.29Å; G149-V188 WeakPolarHBondContact O-CA 3.41Å; G149-V188 WeakPolarHBondContact O-CG1 3.41Å; I150-V188 HydrophobicContact CD1-CG2 4.45Å; I150-V188 HydrophobicContact CG1-CG1 4.28Å; I150-V188 HydrophobicContact CG1-CG2 4.19Å; V188-L197 PolarHBondContact O-N 2.58Å; V188-M198 HydrophobicContact CB-CB 3.98Å; V188-M198 HydrophobicContact CB-CE 4.01Å; V188-M198 HydrophobicContact CG1-CE 3.77Å; V188-M198 HydrophobicContact CG2-CB 4Å; V188-M198 HydrophobicContact CG2-CE 4.13Å; V188-M198 PolarHBondContact N-O 3Å; V188-M198 PolarHBondContact O-N 2.86Å
189Y98.6Very high98.2Very high11 Ų1117.9 Ų17.94%0.0439%0.094CC..EExtended strand (participates in β ladder)trans-132.3161.1179.571.5-80.9000111.7G149 W151 I191 V195 H354G149-Y189 VanDerWaalsContact C-CD1 3.5Å; G149-Y189 PolarHBondContact N-O 2.77Å; G149-Y189 VanDerWaalsContact O-CD1 3.23Å; G149-Y189 WeakPolarHBondContact O-CD1 3.39Å; G149-Y189 PolarHBondContact O-N 3.15Å; W151-Y189 AromaticContact CD1-CD1 3.58Å; W151-Y189 AromaticContact CD1-CE1 3.31Å; W151-Y189 HydrophobicContact CG-CE1 4.23Å; W151-Y189 AromaticContact NE1-CE1 3.41Å; W151-Y189 AromaticContact NE1-CZ 3.82Å; Y189-I191 HydrophobicContact CE2-CG2 4.27Å; Y189-V195 CarbonylContact C-O 3.58Å; Y189-V195 VanDerWaalsContact CA-O 3.3Å; Y189-V195 WeakPolarHBondContact CA-O 3.38Å; Y189-V195 WeakPolarHBondContact CB-O 3.29Å; Y189-H354 HydrophobicContact CD2-CB 4.41Å; Y189-H354 HydrophobicContact CE2-CB 3.89Å
190D98.2Very high98.2Very high22 Ų2217.8 Ų17.812%0.1189%0.093CC..EExtended strand (participates in β ladder)trans-79.7121.1173.4-177.2-58.7000109.8I147 Q192 T193 G194 V195 L197I147-D190 CarbonylContact O-C 3.56Å; I147-D190 WeakPolarHBondContact O-CA 3.45Å; D190-Q192 VanDerWaalsContact C-N 3.26Å; D190-Q192 PolarHBondContact O-N 3.27Å; D190-Q192 WeakPolarHBondContact OD1-CA 3.4Å; D190-Q192 WeakPolarHBondContact OD1-CB 3.34Å; D190-Q192 PolarHBondContact OD1-N 3.08Å; D190-T193 VanDerWaalsContact CB-OG1 3.29Å; D190-T193 WeakPolarHBondContact CB-OG1 3.37Å; D190-T193 VanDerWaalsContact CG-OG1 3.24Å; D190-T193 PolarHBondContact OD1-N 3.4Å; D190-T193 PolarHBondContact OD1-OG1 2.81Å; D190-G194 WeakPolarHBondContact O-CA 3.4Å; D190-G194 PolarHBondContact O-N 3.3Å; D190-V195 PolarHBondContact N-O 3.31Å; D190-L197 HydrophobicContact CB-CD1 4.01Å; D190-L197 HydrophobicContact CB-CD2 4.28Å; D190-L197 HydrophobicContact CB-CG 4.21Å
191I97.3Very high98.3Very high50 Ų5017.1 Ų17.126%0.2569%0.09SC..THydrogen-bonded Turntrans-68.4-23-175.465.9-176.8000113.8D146 I147 L148 G149 Y189D146-I191 VanDerWaalsContact O-CD1 3.25Å; D146-I191 WeakPolarHBondContact O-CD1 3.23Å; I147-I191 PolarHBondContact O-N 2.91Å; L148-I191 VanDerWaalsContact C-CG2 3.5Å; G149-I191 VanDerWaalsContact N-CG2 3.31Å; Y189-I191 HydrophobicContact CE2-CG2 4.27Å
192Q97.1Very high98.3Very high142 Ų14217.1 Ų17.166%0.6649%0.09SC*.THydrogen-bonded Turntrans-86.5-38.2-177.8-59.2-179.615.400111.2D190D190-Q192 VanDerWaalsContact C-N 3.26Å; D190-Q192 PolarHBondContact O-N 3.27Å; D190-Q192 WeakPolarHBondContact OD1-CA 3.4Å; D190-Q192 WeakPolarHBondContact OD1-CB 3.34Å; D190-Q192 PolarHBondContact OD1-N 3.08Å
193T97.6Very high98.3Very high71 Ų7117.5 Ų17.544%0.4369%0.092SC..THydrogen-bonded Turntrans-104.5-17.9-175.265.70000113.6D190 V195D190-T193 VanDerWaalsContact CB-OG1 3.29Å; D190-T193 WeakPolarHBondContact CB-OG1 3.37Å; D190-T193 VanDerWaalsContact CG-OG1 3.24Å; D190-T193 PolarHBondContact OD1-N 3.4Å; D190-T193 PolarHBondContact OD1-OG1 2.81Å; T193-V195 PolarHBondContact O-N 2.8Å; T193-V195 PolarHBondContact OG1-N 3.46Å
194G98.2Very high98.2Very high0 Ų017.5 Ų17.50%09%0.092CC..  trans74.24.8-174.200000115.1D190 V352 Y353 H354D190-G194 WeakPolarHBondContact O-CA 3.4Å; D190-G194 PolarHBondContact O-N 3.3Å; G194-V352 WeakPolarHBondContact O-CA 3.42Å; G194-Y353 WeakPolarHBondContact O-CD2 3.46Å; G194-Y353 PolarHBondContact O-N 3.45Å; G194-H354 VanDerWaalsContact CA-CG 3.45Å; G194-H354 VanDerWaalsContact CA-ND1 3.26Å; G194-H354 WeakPolarHBondContact CA-ND1 3.47Å
195V98.3Very high98.2Very high42 Ų4217.4 Ų17.426%0.2559%0.091SC..  trans-78.2131.7-175.51750000110.3Y189 D190 T193 R325Y189-V195 CarbonylContact C-O 3.58Å; Y189-V195 VanDerWaalsContact CA-O 3.3Å; Y189-V195 WeakPolarHBondContact CA-O 3.38Å; Y189-V195 WeakPolarHBondContact CB-O 3.29Å; D190-V195 PolarHBondContact N-O 3.31Å; T193-V195 PolarHBondContact O-N 2.8Å; T193-V195 PolarHBondContact OG1-N 3.46Å; V195-R325 VanDerWaalsContact CG1-CZ 3.48Å; V195-R325 VanDerWaalsContact CG1-NH2 3.35Å
196P98.6Very high98.1Very high1 Ų119.5 Ų19.51%0.00610%0.104CC..EExtended strand (participates in β ladder)trans-75132.5176.330.1-30.9000110.8H321 A322 R325 Y353P196-H321 HydrophobicContact CG-CB 3.95Å; P196-A322 HydrophobicContact CB-CB 4.04Å; P196-R325 WeakPolarHBondContact O-CD 3.47Å; P196-R325 PolarHBondContact O-NE 2.73Å; P196-Y353 HydrophobicContact CB-CD2 4.07Å; P196-Y353 HydrophobicContact CB-CE2 3.95Å; P196-Y353 HydrophobicContact CG-CD2 4.01Å; P196-Y353 HydrophobicContact CG-CE2 3.58Å
197L98.1Very high97.8Very high11 Ų1122.5 Ų22.56%0.05813%0.125CC..EExtended strand (participates in β ladder)trans-109.3-44.9-170.6-57.9-177.5000112.6V143 L148 V188 D190 L223 S224 Y225V143-L197 HydrophobicContact CG1-CD1 4.26Å; L148-L197 HydrophobicContact CD2-CD1 3.69Å; V188-L197 PolarHBondContact O-N 2.58Å; D190-L197 HydrophobicContact CB-CD1 4.01Å; D190-L197 HydrophobicContact CB-CD2 4.28Å; D190-L197 HydrophobicContact CB-CG 4.21Å; L197-L223 CarbonylContact O-C 3.55Å; L197-L223 WeakPolarHBondContact O-CA 3.04Å; L197-S224 PolarHBondContact O-N 3.2Å; L197-Y225 HydrophobicContact CD1-CD2 4.48Å; L197-Y225 HydrophobicContact CD2-CD2 4.3Å
198M97.8Very high97.6Very high5 Ų527.6 Ų27.63%0.02514%0.144CC..EExtended strand (participates in β ladder)trans-136.8150.5-178.3-60.1174.1-79.700109.8I4 L5 L148 V188 G222 L223 A322I4-M198 HydrophobicContact CG2-CE 4.11Å; L5-M198 HydrophobicContact CB-SD 4.04Å; L148-M198 HydrophobicContact CD1-CE 4.24Å; L148-M198 HydrophobicContact CD2-CE 4.43Å; V188-M198 HydrophobicContact CB-CB 3.98Å; V188-M198 HydrophobicContact CB-CE 4.01Å; V188-M198 HydrophobicContact CG1-CE 3.77Å; V188-M198 HydrophobicContact CG2-CB 4Å; V188-M198 HydrophobicContact CG2-CE 4.13Å; V188-M198 PolarHBondContact N-O 3Å; V188-M198 PolarHBondContact O-N 2.86Å; M198-G222 CarbonylContact C-O 3.56Å; M198-G222 VanDerWaalsContact CA-O 3.31Å; M198-G222 WeakPolarHBondContact CA-O 3.33Å; M198-L223 HydrophobicContact CG-CB 4.25Å; M198-L223 HydrophobicContact CG-CD1 3.98Å; M198-L223 HydrophobicContact CG-CG 3.97Å; M198-L223 HydrophobicContact SD-CD1 4.02Å; M198-A322 VanDerWaalsContact O-CB 3.22Å; M198-A322 WeakPolarHBondContact O-CB 3.35Å
199G98.3Very high97.2Very high0 Ų029.9 Ų29.90%016%0.156CC..EExtended strand (participates in β ladder)trans-149.4141.8178.700000111.8I186 W221 G222I186-G199 CarbonylContact O-C 3.5Å; I186-G199 WeakPolarHBondContact O-CA 3.03Å; G199-W221 CarbonylContact O-C 3.53Å; G199-W221 WeakPolarHBondContact O-CA 3.33Å; G199-G222 PolarHBondContact N-O 3.21Å; G199-G222 PolarHBondContact O-N 3.04Å
200V98.6Very high96.7Very high0 Ų034.5 Ų34.50%019%0.187CC..EExtended strand (participates in β ladder)trans-125127.6171.3-179.40000108.6L5 L8 L9 I186 Y220 W221L5-V200 HydrophobicContact CD1-CG2 3.75Å; L8-V200 HydrophobicContact CB-CG2 3.91Å; L9-V200 HydrophobicContact CD2-CG1 4Å; L9-V200 HydrophobicContact CD2-CG2 4.13Å; L9-V200 HydrophobicContact CG-CG2 4.32Å; I186-V200 HydrophobicContact CB-CB 4.43Å; I186-V200 PolarHBondContact N-O 2.83Å; I186-V200 PolarHBondContact O-N 3.4Å; V200-Y220 CarbonylContact C-O 3.53Å; V200-Y220 WeakPolarHBondContact CA-O 3.34Å; V200-W221 HydrophobicContact CG2-CB 4.37Å
201I98.8Very high96.4Very high0 Ų040.4 Ų40.40%022%0.219CC..EExtended strand (participates in β ladder)trans-117.9115.4168.5-59.1178.2000107T183 I184 L185 Y220 L295 A319 A320 I323T183-I201 HydrophobicContact CG2-CG2 3.6Å; I184-I201 WeakPolarHBondContact O-CA 3.45Å; L185-I201 HydrophobicContact CD2-CB 4.27Å; L185-I201 HydrophobicContact CD2-CD1 4.39Å; L185-I201 HydrophobicContact CD2-CG1 3.81Å; L185-I201 HydrophobicContact CD2-CG2 3.92Å; I201-Y220 PolarHBondContact N-O 3.37Å; I201-Y220 WeakPolarHBondContact O-CD2 3.34Å; I201-Y220 PolarHBondContact O-N 2.91Å; I201-L295 HydrophobicContact CD1-CB 4.42Å; I201-L295 HydrophobicContact CD1-CD1 4.32Å; I201-L295 HydrophobicContact CG2-CD1 4.35Å; I201-L295 HydrophobicContact CG2-CD2 4.12Å; I201-A319 HydrophobicContact CG1-CB 4.31Å; I201-A320 HydrophobicContact CD1-CB 3.82Å; I201-I323 HydrophobicContact CB-CD1 4.35Å; I201-I323 HydrophobicContact CD1-CD1 3.86Å; I201-I323 HydrophobicContact CG1-CD1 3.74Å
202N98.4Very high96Very high0 Ų041.8 Ų41.80%023%0.23CC..EExtended strand (participates in β ladder)trans-110.3119.7173.7-165.5-34.1000109.8S12 E13 T183 I184 P204S12-N202 PolarHBondContact O-ND2 3.08Å; S12-N202 PolarHBondContact OG-ND2 2.92Å; E13-N202 WeakPolarHBondContact CA-ND2 2.98Å; E13-N202 PolarHBondContact OE2-ND2 3.48Å; T183-N202 CarbonylContact C-O 3.57Å; T183-N202 WeakPolarHBondContact CA-O 3.47Å; I184-N202 HydrophobicContact CB-CB 4.3Å; I184-N202 HydrophobicContact CD1-CB 4.38Å; I184-N202 PolarHBondContact N-O 2.8Å; I184-N202 PolarHBondContact O-N 3.33Å; N202-P204 WeakPolarHBondContact O-CD 3.37Å
203Q98.1Very high95.6Very high9 Ų939.8 Ų39.84%0.04222%0.223CC..EExtended strand (participates in β ladder)trans-91.4108.4171.4-75.9-173.8-68.900109.3Q180 T183 F205 V206 G217 Q218 Y220 Y292 L295Q180-Q203 PolarHBondContact O-NE2 3.32Å; T183-Q203 HydrophobicContact CG2-CG 3.52Å; Q203-F205 VanDerWaalsContact C-N 3.27Å; Q203-F205 PolarHBondContact O-N 2.92Å; Q203-V206 HydrophobicContact CB-CG2 3.59Å; Q203-G217 CarbonylContact O-C 3.59Å; Q203-G217 WeakPolarHBondContact O-CA 3.35Å; Q203-Q218 PolarHBondContact N-O 2.99Å; Q203-Q218 PolarHBondContact O-N 3.35Å; Q203-Y220 HydrophobicContact CG-CE2 4.45Å; Q203-Y220 PolarHBondContact OE1-OH 3.12Å; Q203-Y292 VanDerWaalsContact NE2-CD2 3.31Å; Q203-L295 HydrophobicContact CG-CD2 3.56Å
204P97.5Very high95.3Very high0 Ų045.4 Ų45.40%024%0.236CC..EExtended strand (participates in β ladder)trans-70.2-24.1-175.6-18.832.9000113.6A16 A19 R20 V182 I184 N202A16-P204 HydrophobicContact CB-CB 3.98Å; A16-P204 HydrophobicContact CB-CG 4.08Å; A19-P204 HydrophobicContact CB-CB 4.42Å; A19-P204 HydrophobicContact CB-CG 4.28Å; R20-P204 HydrophobicContact CG-CB 4.28Å; R20-P204 PolarHBondContact NH1-O 3.29Å; V182-P204 WeakPolarHBondContact O-CD 3.41Å; I184-P204 HydrophobicContact CD1-CG 3.81Å; I184-P204 HydrophobicContact CG1-CG 4.32Å; N202-P204 WeakPolarHBondContact O-CD 3.37Å
205F97.4Very high95.2Very high0 Ų047.5 Ų47.50%024%0.244CC..EExtended strand (participates in β ladder)trans-126.668.1-167.1-52.9-75.7000112.5R20 R23 Y161 L179 Q180 V182 Q203 W215R20-F205 HydrophobicContact CB-CE1 4.41Å; R20-F205 HydrophobicContact CG-CD1 4.23Å; R20-F205 HydrophobicContact CG-CE1 3.69Å; R20-F205 HydrophobicContact CG-CZ 4.15Å; R23-F205 HydrophobicContact CG-CZ 4.43Å; Y161-F205 AromaticContact CD2-CE2 3.81Å; Y161-F205 HydrophobicContact CD2-CE2 3.81Å; Y161-F205 HydrophobicContact CD2-CZ 4.22Å; Y161-F205 AromaticContact CE2-CE2 3.83Å; Y161-F205 HydrophobicContact CE2-CE2 3.83Å; Y161-F205 AromaticContact CE2-CZ 3.84Å; Y161-F205 HydrophobicContact CE2-CZ 3.84Å; L179-F205 HydrophobicContact CB-CB 3.74Å; L179-F205 HydrophobicContact CB-CD1 4.5Å; L179-F205 HydrophobicContact CB-CD2 4.08Å; L179-F205 HydrophobicContact CB-CG 3.87Å; L179-F205 HydrophobicContact CD1-CD1 4.36Å; L179-F205 HydrophobicContact CD2-CD2 4.09Å; L179-F205 HydrophobicContact CD2-CE2 4.13Å; L179-F205 HydrophobicContact CD2-CG 4.46Å; Q180-F205 WeakPolarHBondContact CA-O 3.26Å; V182-F205 HydrophobicContact CB-CD2 4.16Å; V182-F205 HydrophobicContact CG1-CD2 4.38Å; V182-F205 HydrophobicContact CG1-CE2 4.33Å; Q203-F205 VanDerWaalsContact C-N 3.27Å; Q203-F205 PolarHBondContact O-N 2.92Å; F205-W215 HydrophobicContact CB-CD2 4.03Å; F205-W215 HydrophobicContact CB-CE3 3.73Å; F205-W215 HydrophobicContact CB-CH2 4.41Å; F205-W215 HydrophobicContact CB-CZ3 3.94Å; F205-W215 HydrophobicContact CD1-CB 3.97Å; F205-W215 AromaticContact CD1-CD1 3.66Å; F205-W215 AromaticContact CD1-CD2 3.65Å; F205-W215 HydrophobicContact CD1-CD2 3.65Å; F205-W215 AromaticContact CD1-CE2 3.86Å; F205-W215 HydrophobicContact CD1-CE3 4.25Å; F205-W215 AromaticContact CD1-CG 3.51Å; F205-W215 HydrophobicContact CD1-CG 3.51Å; F205-W215 AromaticContact CD1-NE1 3.86Å; F205-W215 AromaticContact CE1-CD1 3.98Å; F205-W215 HydrophobicContact CE1-CG 4.21Å; F205-W215 HydrophobicContact CG-CD2 4.34Å
206V96.4Very high95Very high45 Ų4552 Ų5227%0.27326%0.26SS..EExtended strand (participates in β ladder)trans-88.6-54-178.9176.50000111.9Q203 K216 Q218Q203-V206 HydrophobicContact CB-CG2 3.59Å; V206-K216 WeakPolarHBondContact CB-O 3.23Å; V206-K216 PolarHBondContact N-O 3.19Å; V206-Q218 HydrophobicContact CG2-CB 3.73Å
207S93.9Very high94.8Very high62 Ų6253.3 Ų53.343%0.43427%0.274SS..EExtended strand (participates in β ladder)trans-132.4145.2179.161.50000110.8W215 K216S207-W215 CarbonylContact O-C 3.51Å; S207-W215 WeakPolarHBondContact O-CA 3.35Å; S207-K216 PolarHBondContact N-O 3.02Å; S207-K216 VanDerWaalsContact N-O 3.15Å; S207-K216 PolarHBondContact O-N 2.74Å
208R93.2Very high94.7Very high108 Ų10857.2 Ų57.241%0.40829%0.292SS..EExtended strand (participates in β ladder)trans-115.5124.9179-166.9177.5179-175.7-5.6109.2L213 R214 W215R208-L213 PolarHBondContact NE-O 2.72Å; R208-L213 VanDerWaalsContact NE-O 3.17Å; R208-R214 WeakPolarHBondContact CA-O 3.35Å; R208-W215 HydrophobicContact CB-CD2 3.94Å; R208-W215 HydrophobicContact CB-CE3 3.78Å; R208-W215 HydrophobicContact CB-CH2 4.08Å; R208-W215 HydrophobicContact CB-CZ2 4.22Å; R208-W215 HydrophobicContact CB-CZ3 3.86Å; R208-W215 HydrophobicContact CG-CD2 4.08Å; R208-W215 HydrophobicContact CG-CE3 4.44Å; R208-W215 HydrophobicContact CG-CG 4.5Å; R208-W215 HydrophobicContact CG-CZ2 4.35Å
209D90.6Very high94.6Very high49 Ų4957.9 Ų57.926%0.26230%0.297SS..  trans-65.2124173.6-172.5-69.9000109.3N211 T212 L213 R214D209-N211 PolarHBondContact O-N 3.34Å; D209-N211 WeakPolarHBondContact OD1-CA 3.46Å; D209-N211 WeakPolarHBondContact OD1-CB 3.41Å; D209-N211 PolarHBondContact OD1-N 2.95Å; D209-T212 WeakPolarHBondContact CB-OG1 3.35Å; D209-T212 PolarHBondContact OD1-N 2.94Å; D209-L213 WeakPolarHBondContact O-CA 3.41Å; D209-L213 PolarHBondContact O-N 3.21Å; D209-R214 PolarHBondContact N-O 3.26Å
210P88.4Confident94.6Very high108 Ų10858.1 Ų58.170%0.70130%0.298SS*.THydrogen-bonded Turntrans-69.9-21.7-175.627.8-34.5000113.2
211N91.3Very high94.5Very high146 Ų14658.1 Ų58.178%0.78130%0.298SS*.THydrogen-bonded Turntrans-91.6-47.1-178.4-57.5-51.5000111.4D209D209-N211 PolarHBondContact O-N 3.34Å; D209-N211 WeakPolarHBondContact OD1-CA 3.46Å; D209-N211 WeakPolarHBondContact OD1-CB 3.41Å; D209-N211 PolarHBondContact OD1-N 2.95Å
212T90.5Very high94.4Very high79 Ų7958.1 Ų58.149%0.48530%0.298SS..THydrogen-bonded Turntrans-92.7-8.6-176.577.30000113D209 R214D209-T212 WeakPolarHBondContact CB-OG1 3.35Å; D209-T212 PolarHBondContact OD1-N 2.94Å; T212-R214 PolarHBondContact O-N 3.37Å; T212-R214 WeakPolarHBondContact OG1-CB 3.47Å; T212-R214 WeakPolarHBondContact OG1-CG 3.3Å; T212-R214 PolarHBondContact OG1-N 3.01Å
213L88.6Confident94.3Very high99 Ų9958.4 Ų58.452%0.51830%0.3SS..  trans57.815.2-175-58-179.2000114.5R208 D209R208-L213 PolarHBondContact NE-O 2.72Å; R208-L213 VanDerWaalsContact NE-O 3.17Å; D209-L213 WeakPolarHBondContact O-CA 3.41Å; D209-L213 PolarHBondContact O-N 3.21Å
214R90.8Very high94.2Very high189 Ų18958.8 Ų58.871%0.71330%0.303SS*.  trans-85.9139.9-177.1-69.7-179.9179.9-177.4-0.9110.4R208 D209 T212R208-R214 WeakPolarHBondContact CA-O 3.35Å; D209-R214 PolarHBondContact N-O 3.26Å; T212-R214 PolarHBondContact O-N 3.37Å; T212-R214 WeakPolarHBondContact OG1-CB 3.47Å; T212-R214 WeakPolarHBondContact OG1-CG 3.3Å; T212-R214 PolarHBondContact OG1-N 3.01Å
215W94.8Very high94.1Very high45 Ų4560.9 Ų60.917%0.1731%0.311CS..EExtended strand (participates in β ladder)trans-85.8141.2175.1-70.3101.5000111.5R20 A166 L179 F205 S207 R208R20-W215 HydrophobicContact CG-CB 4.36Å; A166-W215 HydrophobicContact CB-CH2 3.99Å; A166-W215 HydrophobicContact CB-CZ2 3.57Å; L179-W215 HydrophobicContact CB-CH2 4.37Å; L179-W215 HydrophobicContact CB-CZ2 4.38Å; L179-W215 HydrophobicContact CD1-CH2 4.44Å; L179-W215 HydrophobicContact CD1-CZ2 3.69Å; F205-W215 HydrophobicContact CB-CD2 4.03Å; F205-W215 HydrophobicContact CB-CE3 3.73Å; F205-W215 HydrophobicContact CB-CH2 4.41Å; F205-W215 HydrophobicContact CB-CZ3 3.94Å; F205-W215 HydrophobicContact CD1-CB 3.97Å; F205-W215 AromaticContact CD1-CD1 3.66Å; F205-W215 AromaticContact CD1-CD2 3.65Å; F205-W215 HydrophobicContact CD1-CD2 3.65Å; F205-W215 AromaticContact CD1-CE2 3.86Å; F205-W215 HydrophobicContact CD1-CE3 4.25Å; F205-W215 AromaticContact CD1-CG 3.51Å; F205-W215 HydrophobicContact CD1-CG 3.51Å; F205-W215 AromaticContact CD1-NE1 3.86Å; F205-W215 AromaticContact CE1-CD1 3.98Å; F205-W215 HydrophobicContact CE1-CG 4.21Å; F205-W215 HydrophobicContact CG-CD2 4.34Å; S207-W215 CarbonylContact O-C 3.51Å; S207-W215 WeakPolarHBondContact O-CA 3.35Å; R208-W215 HydrophobicContact CB-CD2 3.94Å; R208-W215 HydrophobicContact CB-CE3 3.78Å; R208-W215 HydrophobicContact CB-CH2 4.08Å; R208-W215 HydrophobicContact CB-CZ2 4.22Å; R208-W215 HydrophobicContact CB-CZ3 3.86Å; R208-W215 HydrophobicContact CG-CD2 4.08Å; R208-W215 HydrophobicContact CG-CE3 4.44Å; R208-W215 HydrophobicContact CG-CG 4.5Å; R208-W215 HydrophobicContact CG-CZ2 4.35Å
216K94.6Very high93.8Very high136 Ų13668.5 Ų68.559%0.59135%0.349SS*.EExtended strand (participates in β ladder)trans-111.2130.7164.8-64.1-179.6-179.2177.40107.9V206 S207V206-K216 WeakPolarHBondContact CB-O 3.23Å; V206-K216 PolarHBondContact N-O 3.19Å; S207-K216 PolarHBondContact N-O 3.02Å; S207-K216 VanDerWaalsContact N-O 3.15Å; S207-K216 PolarHBondContact O-N 2.74Å
217G95.6Very high93.5Very high29 Ų2969.6 Ų69.630%0.29937%0.369SS..EExtended strand (participates in β ladder)trans-92.8-179.9175.800000112.9Q203Q203-G217 CarbonylContact O-C 3.59Å; Q203-G217 WeakPolarHBondContact O-CA 3.35Å
218Q95.8Very high93.4Very high93 Ų9369.6 Ų69.644%0.43537%0.367SS..EExtended strand (participates in β ladder)trans-145.6136.9170.7-170.1161.1-29.600110.2Q203 V206 Y220Q203-Q218 PolarHBondContact N-O 2.99Å; Q203-Q218 PolarHBondContact O-N 3.35Å; V206-Q218 HydrophobicContact CG2-CB 3.73Å; Q218-Y220 HydrophobicContact CB-CE2 4.13Å; Q218-Y220 HydrophobicContact CG-CE1 4.23Å; Q218-Y220 HydrophobicContact CG-CE2 3.93Å; Q218-Y220 PolarHBondContact NE2-OH 2.83Å; Q218-Y220 VanDerWaalsContact NE2-OH 3.08Å
219C95.9Very high93.4Very high19 Ų1968.3 Ų68.313%0.12837%0.368CS..EExtended strand (participates in β ladder)trans-111.6137.9-178.6-168.50000110.9L9 F131L9-C219 WeakPolarHBondContact CD2-SG 3.31Å; F131-C219 HydrophobicContact CE2-CB 4.24Å; F131-C219 HydrophobicContact CZ-CB 4.43Å
220Y97Very high93.6Very high5 Ų567.1 Ų67.12%0.0236%0.361CS..EExtended strand (participates in β ladder)trans-124.6140.2178.3-51.5-93.8000109.3V200 I201 Q203 Q218 S232 L233 L295 Q299V200-Y220 CarbonylContact C-O 3.53Å; V200-Y220 WeakPolarHBondContact CA-O 3.34Å; I201-Y220 PolarHBondContact N-O 3.37Å; I201-Y220 WeakPolarHBondContact O-CD2 3.34Å; I201-Y220 PolarHBondContact O-N 2.91Å; Q203-Y220 HydrophobicContact CG-CE2 4.45Å; Q203-Y220 PolarHBondContact OE1-OH 3.12Å; Q218-Y220 HydrophobicContact CB-CE2 4.13Å; Q218-Y220 HydrophobicContact CG-CE1 4.23Å; Q218-Y220 HydrophobicContact CG-CE2 3.93Å; Q218-Y220 PolarHBondContact NE2-OH 2.83Å; Q218-Y220 VanDerWaalsContact NE2-OH 3.08Å; Y220-S232 WeakPolarHBondContact CA-OG 3.46Å; Y220-L233 HydrophobicContact CD1-CD1 4.19Å; Y220-L233 HydrophobicContact CD1-CG 4.33Å; Y220-L295 HydrophobicContact CD1-CD1 4.11Å; Y220-L295 HydrophobicContact CD2-CD1 3.56Å; Y220-L295 HydrophobicContact CD2-CD2 4.07Å; Y220-L295 HydrophobicContact CD2-CG 4.47Å; Y220-L295 HydrophobicContact CE1-CD1 4.31Å; Y220-L295 HydrophobicContact CE2-CD1 3.8Å; Y220-L295 HydrophobicContact CE2-CD2 3.72Å; Y220-L295 HydrophobicContact CE2-CG 4.34Å; Y220-L295 HydrophobicContact CG-CD1 3.73Å; Y220-Q299 HydrophobicContact CE1-CG 4.18Å; Y220-Q299 PolarHBondContact OH-NE2 3.23Å
221W97.1Very high93.8Very high0 Ų064.4 Ų64.40%034%0.339CS..EExtended strand (participates in β ladder)trans-143.2160.8179.562.1-98.6000112.3L5 L9 D133 T135 L136 G199 V200 M230 H231 S232L5-W221 HydrophobicContact CD1-CB 4.33Å; L5-W221 HydrophobicContact CD2-CD2 4.45Å; L5-W221 HydrophobicContact CD2-CE3 3.8Å; L5-W221 HydrophobicContact CD2-CZ3 4.3Å; L9-W221 HydrophobicContact CD1-CG 4.26Å; L9-W221 HydrophobicContact CD2-CB 3.99Å; L9-W221 HydrophobicContact CD2-CG 4.13Å; D133-W221 PolarHBondContact OD2-NE1 3.05Å; T135-W221 HydrophobicContact CG2-CH2 4.09Å; T135-W221 HydrophobicContact CG2-CZ2 4.38Å; L136-W221 HydrophobicContact CD1-CD2 3.93Å; L136-W221 HydrophobicContact CD1-CE3 4.41Å; L136-W221 HydrophobicContact CD1-CG 4.37Å; L136-W221 HydrophobicContact CD1-CH2 4.37Å; L136-W221 HydrophobicContact CD1-CZ2 3.88Å; L136-W221 HydrophobicContact CD2-CD2 4.49Å; L136-W221 HydrophobicContact CD2-CE3 4.17Å; L136-W221 HydrophobicContact CD2-CH2 3.84Å; L136-W221 HydrophobicContact CD2-CZ2 4.16Å; L136-W221 HydrophobicContact CD2-CZ3 3.82Å; L136-W221 HydrophobicContact CG-CD2 4.33Å; L136-W221 HydrophobicContact CG-CE3 4.45Å; L136-W221 HydrophobicContact CG-CH2 3.74Å; L136-W221 HydrophobicContact CG-CZ2 3.57Å; L136-W221 HydrophobicContact CG-CZ3 4.17Å; G199-W221 CarbonylContact O-C 3.53Å; G199-W221 WeakPolarHBondContact O-CA 3.33Å; V200-W221 HydrophobicContact CG2-CB 4.37Å; W221-M230 HydrophobicContact CH2-CB 4.15Å; W221-M230 HydrophobicContact CH2-CE 4.05Å; W221-M230 HydrophobicContact CZ3-CB 3.76Å; W221-M230 HydrophobicContact CZ3-CE 4.44Å; W221-H231 CarbonylContact O-C 3.54Å; W221-H231 WeakPolarHBondContact O-CA 3Å; W221-H231 WeakPolarHBondContact O-CB 3.31Å; W221-S232 VanDerWaalsContact CD1-CB 3.44Å; W221-S232 PolarHBondContact N-OG 3.29Å; W221-S232 VanDerWaalsContact NE1-CB 3.31Å; W221-S232 PolarHBondContact O-N 2.76Å
222G96.3Very high93.9Very high0 Ų058.7 Ų58.70%031%0.311CS..EExtended strand (participates in β ladder)trans-157.3152.3176.100000112.1M198 G199 M230M198-G222 CarbonylContact C-O 3.56Å; M198-G222 VanDerWaalsContact CA-O 3.31Å; M198-G222 WeakPolarHBondContact CA-O 3.33Å; G199-G222 PolarHBondContact N-O 3.21Å; G199-G222 PolarHBondContact O-N 3.04Å; G222-M230 CarbonylContact C-O 3.56Å; G222-M230 WeakPolarHBondContact CA-O 3.39Å
223L96.2Very high93.8Very high6 Ų656.9 Ų56.93%0.03130%0.298CS..EExtended strand (participates in β ladder)trans-139130.8178.3179.1153.5000109L5 I141 L197 M198 N229 M230 A326L5-L223 HydrophobicContact CD2-CB 4.16Å; L5-L223 HydrophobicContact CD2-CD1 4.25Å; I141-L223 HydrophobicContact CD1-CD1 4.01Å; I141-L223 HydrophobicContact CD1-CD2 3.5Å; I141-L223 VanDerWaalsContact CD1-CD2 3.5Å; I141-L223 HydrophobicContact CD1-CG 4.43Å; I141-L223 HydrophobicContact CG2-CD1 4.44Å; L197-L223 CarbonylContact O-C 3.55Å; L197-L223 WeakPolarHBondContact O-CA 3.04Å; M198-L223 HydrophobicContact CG-CB 4.25Å; M198-L223 HydrophobicContact CG-CD1 3.98Å; M198-L223 HydrophobicContact CG-CG 3.97Å; M198-L223 HydrophobicContact SD-CD1 4.02Å; L223-N229 CarbonylContact O-C 3.6Å; L223-N229 WeakPolarHBondContact O-CA 3.26Å; L223-M230 PolarHBondContact N-O 3.35Å; L223-M230 PolarHBondContact O-N 3.15Å; L223-A326 WeakPolarHBondContact O-CB 3.4Å
224S95.9Very high92.8Very high16 Ų1659.4 Ų59.411%0.11231%0.307CS..EExtended strand (participates in β ladder)trans-133.7101.3173-171.20000109L197 T228 N229L197-S224 PolarHBondContact O-N 3.2Å; S224-T228 WeakPolarHBondContact CA-O 3.48Å; S224-N229 WeakPolarHBondContact CB-OD1 3.33Å; S224-N229 PolarHBondContact OG-OD1 3.24Å
225Y95.3Very high90.9Very high45 Ų4557 Ų5718%0.17631%0.307CS..EExtended strand (participates in β ladder)trans-145.9127.7-177.8-176.3-109.9000111I141 V143 P144 I147 L197 G227 T228I141-Y225 HydrophobicContact CG2-CD1 4.02Å; V143-Y225 HydrophobicContact CG1-CD2 4.17Å; V143-Y225 HydrophobicContact CG1-CE2 3.94Å; V143-Y225 HydrophobicContact CG2-CD1 3.92Å; V143-Y225 HydrophobicContact CG2-CD2 4.43Å; V143-Y225 HydrophobicContact CG2-CE1 4.2Å; V143-Y225 HydrophobicContact CG2-CG 4.03Å; P144-Y225 WeakPolarHBondContact CD-OH 3.32Å; I147-Y225 HydrophobicContact CD1-CE2 4.34Å; L197-Y225 HydrophobicContact CD1-CD2 4.48Å; L197-Y225 HydrophobicContact CD2-CD2 4.3Å; Y225-G227 PolarHBondContact O-N 2.94Å; Y225-G227 VanDerWaalsContact O-N 3.1Å; Y225-T228 PolarHBondContact N-O 2.98Å; Y225-T228 WeakPolarHBondContact O-CB 3.23Å; Y225-T228 PolarHBondContact O-N 3.21Å
226M91.5Very high88.3Confident159 Ų15960.4 Ų60.478%0.78333%0.333SS*.THydrogen-bonded Turntrans48.639.9175.9-66.9-69.1105.700114.6T228M226-T228 VanDerWaalsContact C-N 3.26Å; M226-T228 PolarHBondContact O-N 3.22Å
227G89.5Confident85.5Confident69 Ų6960.9 Ų60.971%0.71134%0.341SS*.THydrogen-bonded Turntrans84.9-12-18000000114.7Y225 N229Y225-G227 PolarHBondContact O-N 2.94Å; Y225-G227 VanDerWaalsContact O-N 3.1Å; G227-N229 PolarHBondContact O-ND2 3.46Å; G227-N229 VanDerWaalsContact O-ND2 3.17Å
228T92.1Very high82.4Confident62 Ų6263.7 Ų63.738%0.3836%0.356SS..EExtended strand (participates in β ladder)trans-79.6124.1170.2-54.60000109.8I141 S224 Y225 M226 M230I141-T228 HydrophobicContact CD1-CG2 3.41Å; I141-T228 VanDerWaalsContact CD1-CG2 3.41Å; I141-T228 HydrophobicContact CG1-CG2 4.28Å; S224-T228 WeakPolarHBondContact CA-O 3.48Å; Y225-T228 PolarHBondContact N-O 2.98Å; Y225-T228 WeakPolarHBondContact O-CB 3.23Å; Y225-T228 PolarHBondContact O-N 3.21Å; M226-T228 VanDerWaalsContact C-N 3.26Å; M226-T228 PolarHBondContact O-N 3.22Å; T228-M230 HydrophobicContact CG2-CG 4.25Å; T228-M230 HydrophobicContact CG2-SD 4.33Å
229N94Very high79.3Confident81 Ų8170.1 Ų70.143%0.43338%0.376SS..EExtended strand (participates in β ladder)trans-127.8125.1-179.8-66.5-72.4000109.4L223 S224 G227 A326L223-N229 CarbonylContact O-C 3.6Å; L223-N229 WeakPolarHBondContact O-CA 3.26Å; S224-N229 WeakPolarHBondContact CB-OD1 3.33Å; S224-N229 PolarHBondContact OG-OD1 3.24Å; G227-N229 PolarHBondContact O-ND2 3.46Å; G227-N229 VanDerWaalsContact O-ND2 3.17Å; N229-A326 WeakPolarHBondContact CB-O 3.43Å
230M93.6Very high76.3Confident24 Ų2480.5 Ų80.512%0.11841%0.413CS..EExtended strand (participates in β ladder)trans-142.9148.3-177.6-63.2174.770.400110.6T135 T139 I141 W221 G222 L223 T228 A326T135-M230 HydrophobicContact CG2-CE 3.83Å; T135-M230 WeakPolarHBondContact O-CE 3.03Å; T139-M230 HydrophobicContact CG2-CE 3.7Å; T139-M230 HydrophobicContact CG2-SD 3.32Å; T139-M230 WeakPolarHBondContact CG2-SD 2.95Å; T139-M230 WeakPolarHBondContact OG1-CE 3.5Å; I141-M230 HydrophobicContact CD1-SD 3.78Å; W221-M230 HydrophobicContact CH2-CB 4.15Å; W221-M230 HydrophobicContact CH2-CE 4.05Å; W221-M230 HydrophobicContact CZ3-CB 3.76Å; W221-M230 HydrophobicContact CZ3-CE 4.44Å; G222-M230 CarbonylContact C-O 3.56Å; G222-M230 WeakPolarHBondContact CA-O 3.39Å; L223-M230 PolarHBondContact N-O 3.35Å; L223-M230 PolarHBondContact O-N 3.15Å; T228-M230 HydrophobicContact CG2-CG 4.25Å; T228-M230 HydrophobicContact CG2-SD 4.33Å; M230-A326 VanDerWaalsContact O-CB 3.25Å; M230-A326 WeakPolarHBondContact O-CB 3.09Å
231H94.1Very high73.2Confident51 Ų5185.4 Ų85.424%0.23645%0.447CS..EExtended strand (participates in β ladder)trans-156.4157.617557.566.5000112W221 L233 M327W221-H231 CarbonylContact O-C 3.54Å; W221-H231 WeakPolarHBondContact O-CA 3Å; W221-H231 WeakPolarHBondContact O-CB 3.31Å; H231-L233 VanDerWaalsContact C-N 3.32Å; H231-L233 PolarHBondContact CE1-O 3.5Å; H231-L233 PolarHBondContact ND1-O 3.43Å; H231-L233 PolarHBondContact O-N 3.34Å; H231-M327 VanDerWaalsContact CD2-CG 3.47Å; H231-M327 WeakPolarHBondContact CD2-CG 3.48Å
232S92.7Very high70.2Confident26 Ų2689.1 Ų89.118%0.18249%0.486CS..SBendtrans-70.9-23.3-176.970.80000114.7Y220 W221 Q234Y220-S232 WeakPolarHBondContact CA-OG 3.46Å; W221-S232 VanDerWaalsContact CD1-CB 3.44Å; W221-S232 PolarHBondContact N-OG 3.29Å; W221-S232 VanDerWaalsContact NE1-CB 3.31Å; W221-S232 PolarHBondContact O-N 2.76Å; S232-Q234 PolarHBondContact O-N 2.97Å
233L87.9Confident67.2Low40 Ų4094 Ų9421%0.20952%0.52CS..  trans-71.496.7-178.8-93.3147.4000110.4Y220 H231 L235 V298 M327Y220-L233 HydrophobicContact CD1-CD1 4.19Å; Y220-L233 HydrophobicContact CD1-CG 4.33Å; H231-L233 VanDerWaalsContact C-N 3.32Å; H231-L233 PolarHBondContact CE1-O 3.5Å; H231-L233 PolarHBondContact ND1-O 3.43Å; H231-L233 PolarHBondContact O-N 3.34Å; L233-L235 PolarHBondContact O-N 3.2Å; L233-V298 HydrophobicContact CD1-CG1 3.43Å; L233-V298 VanDerWaalsContact CD1-CG1 3.43Å; L233-V298 WeakPolarHBondContact CD1-O 3.49Å; L233-M327 HydrophobicContact CB-CE 3.69Å; L233-M327 HydrophobicContact CD1-CE 3.68Å; L233-M327 HydrophobicContact CG-CE 4.31Å
234Q68.1Low64.1Low153 Ų153101.2 Ų101.272%0.71555%0.554SS**  trans-65.5127.1165.4-69.5-178.6-7.600108.1S232 T236S232-Q234 PolarHBondContact O-N 2.97Å; Q234-T236 VanDerWaalsContact C-N 3.29Å; Q234-T236 PolarHBondContact O-N 2.85Å
235L51.1Low61.1Low137 Ų137108.2 Ų108.272%0.71759%0.588SS**  trans-60.998.8167.9-76.8162.2000106.8L233 I237L233-L235 PolarHBondContact O-N 3.2Å; L235-I237 PolarHBondContact O-N 3.28Å
236T39.8Very low58Low118 Ų118113.7 Ų113.772%0.72462%0.615SS**  trans-64.193.1159.2-36.80000104.4Q234 S238Q234-T236 VanDerWaalsContact C-N 3.29Å; Q234-T236 PolarHBondContact O-N 2.85Å; T236-S238 PolarHBondContact O-N 2.92Å
237I36Very low55.3Low146 Ų146110.6 Ų110.675%0.74962%0.615SS**  trans-6482.9155.1-56.2174.1000102.9L235 R239L235-I237 PolarHBondContact O-N 3.28Å; I237-R239 PolarHBondContact O-N 2.65Å
238S30.4Very low52.5Low87 Ų87110.2 Ų110.261%0.60861%0.611SS**  trans-58.194.5159.2-74.60000103.7T236 R240T236-S238 PolarHBondContact O-N 2.92Å; S238-R240 PolarHBondContact O-N 2.83Å
239R30.5Very low49.5Very low229 Ų229115 Ų11586%0.86463%0.634SS**  trans-51.394.8148.6-75.7175.975.9169.43.1102.4I237 S241I237-R239 PolarHBondContact O-N 2.65Å; R239-S241 VanDerWaalsContact C-N 3.26Å; R239-S241 PolarHBondContact O-N 2.69Å
240R32.6Very low47Very low237 Ų237118.1 Ų118.189%0.89466%0.656SS**  trans-49107.1167.1-84.9-176.8174.4-178.2-2103.6S238 G242S238-R240 PolarHBondContact O-N 2.83Å; R240-G242 PolarHBondContact O-N 2.91Å
241S31.9Very low44.3Very low107 Ų107120.3 Ų120.375%0.74869%0.685SS**  trans-48.4127.4168.7-177.90000105.6R239 S243R239-S241 VanDerWaalsContact C-N 3.26Å; R239-S241 PolarHBondContact O-N 2.69Å; S241-S243 PolarHBondContact O-N 3.08Å
242G35.7Very low41.4Very low79 Ų79123.2 Ų123.281%0.81471%0.711SS**  trans-55.2114.2-176.300000110.2R240R240-G242 PolarHBondContact O-N 2.91Å
243S33.1Very low38.8Very low102 Ų102131.7 Ų131.771%0.71375%0.747SS**  trans-152.7108.2155.256.30000107.6S241S241-S243 PolarHBondContact O-N 3.08Å
244E30.4Very low36.4Very low158 Ų158133 Ų13374%0.73876%0.764SS**  trans81.373.2156.8-58.4176.9-173.800117.4H246E244-H246 VanDerWaalsContact C-N 3.3Å; E244-H246 PolarHBondContact O-N 3.15Å; E244-H246 IonicContact OE2-NE2 2.65Å
245I32.2Very low35.1Very low162 Ų162130 Ų13083%0.83177%0.765SS**  trans-6994.8140.7-61.4172.9000106.4A247I245-A247 VanDerWaalsContact C-N 3.3Å; I245-A247 HydrophobicContact CG2-CB 4.32Å; I245-A247 PolarHBondContact O-N 2.98Å
246H31Very low34.6Very low160 Ų160133.5 Ų133.574%0.74178%0.775SS**  trans-78.789.6156.3-83.3-56.2000108.3E244 G248E244-H246 VanDerWaalsContact C-N 3.3Å; E244-H246 PolarHBondContact O-N 3.15Å; E244-H246 IonicContact OE2-NE2 2.65Å; H246-G248 PolarHBondContact O-N 3.01Å
247A34.3Very low35.3Very low94 Ų94132.6 Ų132.678%0.77777%0.774SS**  trans-69.3118.5157.200000108.1I245I245-A247 VanDerWaalsContact C-N 3.3Å; I245-A247 HydrophobicContact CG2-CB 4.32Å; I245-A247 PolarHBondContact O-N 2.98Å
248G30.6Very low36.4Very low61 Ų61128.8 Ų128.863%0.62976%0.758SS**  trans138.384.5166.400000114.8H246H246-G248 PolarHBondContact O-N 3.01Å
249N30.3Very low38.9Very low164 Ų164127.6 Ų127.688%0.87775%0.75SS**  -178.2126.8109.7-94.7-9.5000111.6
250T41.8Very low41.9Very low146 Ų146116.8 Ų116.890%0.89671%0.709SS**  trans-53.5130165.340.20000112.4
251G35Very low45Very low69 Ų69105.6 Ų105.671%0.71167%0.667SS**  trans154.3109.6163.700000115
252S34.3Very low48.1Very low112 Ų112100.5 Ų100.578%0.78363%0.632SS**  trans88.6109.6172.281.50000117.4A254S252-A254 PolarHBondContact O-N 3.37Å
253E37.1Very low51.1Low204 Ų20496.7 Ų96.795%0.95359%0.593SS**  trans-66.864156.9-68.5178.4149.900109.8A255E253-A255 PolarHBondContact O-N 3.22Å
254A38.5Very low54.1Low69 Ų6992.2 Ų92.257%0.5756%0.561SS**  trans-73.3107.9160.300000106.5S252 F256S252-A254 PolarHBondContact O-N 3.37Å; A254-F256 PolarHBondContact O-N 3.48Å
255A40.2Very low57.1Low89 Ų8985 Ų8574%0.73653%0.528SS*.  trans-45115.8175.100000109.8E253 S257E253-A255 PolarHBondContact O-N 3.22Å; A255-S257 PolarHBondContact O-N 2.82Å
256F41.9Very low59.6Low211 Ų21182.3 Ų82.393%0.92552%0.519SS*.  trans-66.286171.4-87.8-93.7000107.9A254A254-F256 PolarHBondContact O-N 3.48Å
257S53.5Low62.2Low99 Ų9977.6 Ų77.669%0.69250%0.504SS*.  trans-54.2127.5164.9-64.60000107.4A255 S259A255-S257 PolarHBondContact O-N 2.82Å; S257-S259 PolarHBondContact O-N 3.02Å
258P58.5Low65Low65 Ų6573.4 Ų73.442%0.42247%0.468SS..  trans-61.2108.6177.921.3-28.6000108.5F260 T383P258-F260 HydrophobicContact CB-CE2 4.21Å; P258-F260 HydrophobicContact CB-CZ 4.45Å; P258-F260 HydrophobicContact CG-CE2 4Å; P258-F260 HydrophobicContact CG-CZ 4.41Å; P258-F260 WeakPolarHBondContact O-CD2 3.39Å; P258-F260 WeakPolarHBondContact O-CE2 3.29Å; P258-F260 PolarHBondContact O-N 3.09Å; P258-F260 VanDerWaalsContact O-N 3.12Å; P258-T383 HydrophobicContact CG-CG2 4.27Å
259S84.2Confident68Low62 Ų6274.3 Ų74.343%0.43446%0.455SS..  trans-67.2110.2176.1170.40000108.7S257 R283S257-S259 PolarHBondContact O-N 3.02Å; S259-R283 PolarHBondContact O-NH1 3.4Å; S259-R283 VanDerWaalsContact OG-CD 3.25Å; S259-R283 WeakPolarHBondContact OG-CD 3.49Å; S259-R283 PolarHBondContact OG-NH1 3.24Å
260F94Very high70.9Confident2 Ų273 Ų731%0.00944%0.444CS..  trans-84.4153.3169.9-68.8-80.7000110.6P258 V279 C280 D303 R380 T383 F384 L387P258-F260 HydrophobicContact CB-CE2 4.21Å; P258-F260 HydrophobicContact CB-CZ 4.45Å; P258-F260 HydrophobicContact CG-CE2 4Å; P258-F260 HydrophobicContact CG-CZ 4.41Å; P258-F260 WeakPolarHBondContact O-CD2 3.39Å; P258-F260 WeakPolarHBondContact O-CE2 3.29Å; P258-F260 PolarHBondContact O-N 3.09Å; P258-F260 VanDerWaalsContact O-N 3.12Å; F260-V279 HydrophobicContact CB-CG1 4.44Å; F260-V279 HydrophobicContact CD2-CG1 3.95Å; F260-V279 HydrophobicContact CG-CG1 4.46Å; F260-C280 WeakPolarHBondContact O-CA 3.38Å; F260-C280 WeakPolarHBondContact O-CB 3.38Å; F260-D303 WeakPolarHBondContact CA-OD2 3.47Å; F260-D303 HydrophobicContact CD1-CB 4.36Å; F260-R380 HydrophobicContact CE1-CB 4.29Å; F260-R380 WeakPolarHBondContact CE1-O 3.27Å; F260-T383 HydrophobicContact CE2-CG2 4.17Å; F260-T383 HydrophobicContact CZ-CG2 3.79Å; F260-F384 HydrophobicContact CB-CD2 4.21Å; F260-F384 HydrophobicContact CD1-CB 4.06Å; F260-F384 HydrophobicContact CD1-CD2 4.04Å; F260-F384 HydrophobicContact CD1-CG 4.49Å; F260-F384 HydrophobicContact CD2-CD2 4.35Å; F260-F384 HydrophobicContact CE1-CB 3.76Å; F260-F384 HydrophobicContact CE2-CB 4.49Å; F260-F384 AromaticContact CG-CD2 3.93Å; F260-F384 HydrophobicContact CG-CD2 3.93Å; F260-F384 HydrophobicContact CZ-CB 4Å; F260-L387 HydrophobicContact CD2-CD1 4.16Å; F260-L387 HydrophobicContact CE2-CD1 3.67Å
261S96.5Very high73.3Confident2 Ų270 Ų701%0.01443%0.425CS..  trans-123.6142.4163.654.60000111.5R283 V302 D303 I304S261-R283 CarbonylContact C-O 3.53Å; S261-R283 VanDerWaalsContact CA-O 3.24Å; S261-R283 WeakPolarHBondContact CA-O 3.44Å; S261-R283 WeakPolarHBondContact CB-O 3.41Å; S261-R283 PolarHBondContact OG-NH2 3.46Å; S261-V302 WeakPolarHBondContact OG-CA 3.38Å; S261-D303 PolarHBondContact N-OD2 2.78Å; S261-D303 WeakPolarHBondContact O-CB 3.39Å; S261-D303 PolarHBondContact O-N 3.08Å; S261-D303 VanDerWaalsContact O-N 3.09Å; S261-D303 PolarHBondContact OG-N 3.03Å; S261-I304 PolarHBondContact O-N 3.06Å; S261-I304 VanDerWaalsContact O-N 3.1Å
262A97.4Very high76.1Confident0 Ų067.2 Ų67.20%039%0.394CS..EExtended strand (participates in β ladder)trans-127.6143.1-179.100000111.4L276 R283 I284 F285 I304A262-L276 HydrophobicContact CB-CD2 4.23Å; A262-R283 PolarHBondContact N-O 3.46Å; A262-I284 CarbonylContact O-C 3.53Å; A262-I284 WeakPolarHBondContact O-CA 3.36Å; A262-F285 PolarHBondContact O-N 3.25Å; A262-I304 CarbonylContact C-O 3.52Å; A262-I304 VanDerWaalsContact CA-O 3.23Å; A262-I304 WeakPolarHBondContact CA-O 3.39Å
263V98.3Very high78.9Confident0 Ų064.1 Ų64.10%037%0.366CS..EExtended strand (participates in β ladder)trans-106.8139.2162.972.80000109.3I174 F285 A287 K293 V302 I304 Y305 I306I174-V263 HydrophobicContact CG2-CG2 4.39Å; V263-F285 CarbonylContact C-O 3.47Å; V263-F285 VanDerWaalsContact CA-O 3.27Å; V263-F285 WeakPolarHBondContact CA-O 3.48Å; V263-F285 HydrophobicContact CG2-CB 4.32Å; V263-F285 WeakPolarHBondContact CG2-O 3.45Å; V263-A287 HydrophobicContact CG2-CB 3.66Å; V263-K293 HydrophobicContact CG1-CB 3.9Å; V263-K293 HydrophobicContact CG1-CD 4.47Å; V263-K293 HydrophobicContact CG1-CG 4.06Å; V263-K293 HydrophobicContact CG2-CD 4.21Å; V263-K293 HydrophobicContact CG2-CG 3.81Å; V263-V302 HydrophobicContact CB-CG1 4.23Å; V263-V302 HydrophobicContact CB-CG2 4.03Å; V263-V302 HydrophobicContact CG1-CG2 3.82Å; V263-I304 PolarHBondContact N-O 3.1Å; V263-Y305 HydrophobicContact CG1-CD2 4.06Å; V263-Y305 HydrophobicContact CG1-CG 4.05Å; V263-Y305 WeakPolarHBondContact O-CA 3.4Å; V263-Y305 WeakPolarHBondContact O-CD2 3.34Å; V263-I306 PolarHBondContact O-N 3.49Å
264I97.3Very high81.6Confident8 Ų856.2 Ų56.24%0.04134%0.336CS..EExtended strand (participates in β ladder)trans-137.8162-177.660.5172.8000111.6E268 K273 L276 I284 F285 G286 A287 I306I264-E268 HydrophobicContact CB-CB 4.26Å; I264-E268 HydrophobicContact CB-CG 4.34Å; I264-E268 HydrophobicContact CD1-CB 4.19Å; I264-E268 HydrophobicContact CD1-CG 4.45Å; I264-K273 HydrophobicContact CD1-CG 3.82Å; I264-L276 HydrophobicContact CG2-CD1 3.63Å; I264-I284 HydrophobicContact CD1-CG2 3.63Å; I264-I284 HydrophobicContact CG1-CG2 3.9Å; I264-F285 PolarHBondContact N-O 3.21Å; I264-G286 WeakPolarHBondContact O-CA 3.46Å; I264-A287 PolarHBondContact O-N 3.26Å; I264-I306 HydrophobicContact CG2-CG2 3.5Å
265S92.4Very high84.3Confident7 Ų753 Ų535%0.04931%0.309CS..  trans-66.8144.9164-173.90000109.7K44 S267 E268K44-S265 PolarHBondContact NZ-OG 3.06Å; S265-S267 PolarHBondContact O-N 2.76Å; S265-S267 PolarHBondContact OG-N 3.45Å; S265-S267 PolarHBondContact OG-OG 3.08Å; S265-E268 WeakPolarHBondContact O-CB 3.44Å; S265-E268 PolarHBondContact O-N 3.13Å; S265-E268 VanDerWaalsContact O-N 3.08Å
266T84.1Confident86.8Confident105 Ų10548.7 Ų48.764%0.64427%0.274SS*.THydrogen-bonded Turntrans-60.9-30.3171.9510000111.9E268 K273T266-E268 PolarHBondContact O-N 3.36Å; T266-K273 PolarHBondContact O-NZ 3.05Å
267S85.6Confident89.3Confident61 Ų6141.7 Ų41.743%0.42725%0.251SS..THydrogen-bonded Turntrans-80.38.9176.272.20000114.7K44 S265K44-S267 VanDerWaalsContact CE-OG 3.31Å; K44-S267 WeakPolarHBondContact CE-OG 3.43Å; S265-S267 PolarHBondContact O-N 2.76Å; S265-S267 PolarHBondContact OG-N 3.45Å; S265-S267 PolarHBondContact OG-OG 3.08Å
268E94Very high91.2Very high5 Ų542.4 Ų42.42%0.02324%0.238CC..  trans-63.6150.7-178.4-172.854.5-99.300111.9I264 S265 T266 I272 K273 F307 S308I264-E268 HydrophobicContact CB-CB 4.26Å; I264-E268 HydrophobicContact CB-CG 4.34Å; I264-E268 HydrophobicContact CD1-CB 4.19Å; I264-E268 HydrophobicContact CD1-CG 4.45Å; S265-E268 WeakPolarHBondContact O-CB 3.44Å; S265-E268 PolarHBondContact O-N 3.13Å; S265-E268 VanDerWaalsContact O-N 3.08Å; T266-E268 PolarHBondContact O-N 3.36Å; E268-I272 HydrophobicContact CG-CB 4.1Å; E268-I272 HydrophobicContact CG-CG2 3.86Å; E268-K273 HydrophobicContact CB-CG 4.42Å; E268-K273 WeakPolarHBondContact O-CE 3.49Å; E268-K273 PolarHBondContact O-NZ 2.71Å; E268-F307 WeakPolarHBondContact OE2-CA 3.33Å; E268-S308 VanDerWaalsContact OE1-CB 3.24Å; E268-S308 WeakPolarHBondContact OE1-CB 3.49Å; E268-S308 PolarHBondContact OE1-OG 3.5Å; E268-S308 PolarHBondContact OE2-N 3.12Å; E268-S308 VanDerWaalsContact OE2-N 3.14Å
269K92.6Very high92.9Very high80 Ų8040.1 Ų40.135%0.34822%0.223SC..  trans-60.1140.6-178.8-69.3178.3-174.1147.70111.1T271 I272 K273 S308 E309K269-T271 VanDerWaalsContact C-N 3.27Å; K269-T271 PolarHBondContact O-N 2.86Å; K269-I272 HydrophobicContact CB-CB 4.41Å; K269-I272 HydrophobicContact CB-CG1 4.09Å; K269-I272 PolarHBondContact O-N 3.28Å; K269-I272 VanDerWaalsContact O-N 3.15Å; K269-K273 PolarHBondContact O-N 3.37Å; K269-S308 VanDerWaalsContact CD-OG 3.31Å; K269-S308 WeakPolarHBondContact CD-OG 3.03Å; K269-S308 PolarHBondContact NZ-O 3.25Å; K269-E309 WeakPolarHBondContact CE-OE1 3.31Å; K269-E309 WeakPolarHBondContact CE-OE2 3.29Å; K269-E309 IonicContact NZ-OE1 3.59Å; K269-E309 IonicContact NZ-OE2 2.84Å; K269-E309 PolarHBondContact NZ-OE2 3.2Å
270E91.9Very high93.3Very high137 Ų13737.4 Ų37.464%0.6420%0.204SC*.Hα-helixtrans-64.3-34-178.4-162.956.4-145.600112.3I272 K273 A274E270-I272 VanDerWaalsContact C-N 3.35Å; E270-I272 PolarHBondContact O-N 2.84Å; E270-K273 PolarHBondContact O-N 2.97Å; E270-K273 WeakPolarHBondContact OE2-CD 3.39Å; E270-A274 VanDerWaalsContact O-CB 3.3Å; E270-A274 WeakPolarHBondContact O-CB 3.41Å; E270-A274 PolarHBondContact O-N 2.91Å
271T92.3Very high93.2Very high83 Ų8339 Ų3951%0.50922%0.222SC..Hα-helixtrans-60.2-43.7174510000112K269 A275K269-T271 VanDerWaalsContact C-N 3.27Å; K269-T271 PolarHBondContact O-N 2.86Å; T271-A275 PolarHBondContact O-N 3.23Å; T271-A275 VanDerWaalsContact O-N 3.08Å
272I93.5Very high92.9Very high10 Ų1046.8 Ų46.85%0.05126%0.263CS..Hα-helixtrans-67.2-45.9176-61.3-68.3000110.4E268 K269 E270 A274 A275 L276 I306 L392E268-I272 HydrophobicContact CG-CB 4.1Å; E268-I272 HydrophobicContact CG-CG2 3.86Å; K269-I272 HydrophobicContact CB-CB 4.41Å; K269-I272 HydrophobicContact CB-CG1 4.09Å; K269-I272 PolarHBondContact O-N 3.28Å; K269-I272 VanDerWaalsContact O-N 3.15Å; E270-I272 VanDerWaalsContact C-N 3.35Å; E270-I272 PolarHBondContact O-N 2.84Å; I272-A274 VanDerWaalsContact C-N 3.34Å; I272-A274 PolarHBondContact O-N 3.31Å; I272-A275 PolarHBondContact O-N 3.07Å; I272-L276 HydrophobicContact CG2-CD1 3.76Å; I272-L276 HydrophobicContact CG2-CG 4.2Å; I272-L276 WeakPolarHBondContact O-CB 3.47Å; I272-L276 WeakPolarHBondContact O-CG 3.33Å; I272-L276 PolarHBondContact O-N 2.96Å; I272-I306 HydrophobicContact CG2-CD1 4.1Å; I272-L392 HydrophobicContact CD1-CD2 4.16Å
273K93.8Very high92.8Very high48 Ų4851 Ų5121%0.20928%0.279CS..Hα-helixtrans-57.1-46.7176.3-74.4168171.1157.70111.9I264 T266 E268 K269 E270 L276 S277I264-K273 HydrophobicContact CD1-CG 3.82Å; T266-K273 PolarHBondContact O-NZ 3.05Å; E268-K273 HydrophobicContact CB-CG 4.42Å; E268-K273 WeakPolarHBondContact O-CE 3.49Å; E268-K273 PolarHBondContact O-NZ 2.71Å; K269-K273 PolarHBondContact O-N 3.37Å; E270-K273 PolarHBondContact O-N 2.97Å; E270-K273 WeakPolarHBondContact OE2-CD 3.39Å; K273-L276 PolarHBondContact O-N 3.46Å; K273-S277 WeakPolarHBondContact O-CB 3.37Å; K273-S277 PolarHBondContact O-N 2.8Å; K273-S277 PolarHBondContact O-OG 2.92Å
274A93.6Very high92.7Very high37 Ų3752.9 Ų52.931%0.30629%0.288SS..Hα-helixtrans-62.2-45.3179.300000112E270 I272 S277 R278E270-A274 VanDerWaalsContact O-CB 3.3Å; E270-A274 WeakPolarHBondContact O-CB 3.41Å; E270-A274 PolarHBondContact O-N 2.91Å; I272-A274 VanDerWaalsContact C-N 3.34Å; I272-A274 PolarHBondContact O-N 3.31Å; A274-S277 PolarHBondContact O-N 3.4Å; A274-R278 PolarHBondContact O-N 3.2Å
275A94.1Very high92.7Very high1 Ų152.9 Ų52.91%0.00829%0.288CS..Hα-helixtrans-64-45.8176.400000111.7T271 I272 S277 R278 V279 L388 N391 L392T271-A275 PolarHBondContact O-N 3.23Å; T271-A275 VanDerWaalsContact O-N 3.08Å; I272-A275 PolarHBondContact O-N 3.07Å; A275-S277 VanDerWaalsContact C-N 3.25Å; A275-S277 PolarHBondContact O-N 3.2Å; A275-R278 PolarHBondContact O-N 3.03Å; A275-R278 VanDerWaalsContact O-N 3.16Å; A275-V279 WeakPolarHBondContact O-CG2 3.39Å; A275-V279 PolarHBondContact O-N 3.45Å; A275-L388 HydrophobicContact CB-CD1 3.93Å; A275-N391 HydrophobicContact CB-CB 4.13Å; A275-L392 HydrophobicContact CB-CD2 3.63Å; A275-L392 HydrophobicContact CB-CG 3.86Å
276L94.3Very high92.9Very high0 Ų054 Ų540%030%0.301CS..Hα-helixtrans-59-37.4175.3-71.7171.6000112A262 I264 I272 K273 R278 V279 C280 I284 I306 F384 L388A262-L276 HydrophobicContact CB-CD2 4.23Å; I264-L276 HydrophobicContact CG2-CD1 3.63Å; I272-L276 HydrophobicContact CG2-CD1 3.76Å; I272-L276 HydrophobicContact CG2-CG 4.2Å; I272-L276 WeakPolarHBondContact O-CB 3.47Å; I272-L276 WeakPolarHBondContact O-CG 3.33Å; I272-L276 PolarHBondContact O-N 2.96Å; K273-L276 PolarHBondContact O-N 3.46Å; L276-R278 PolarHBondContact O-N 3.4Å; L276-V279 PolarHBondContact O-N 2.78Å; L276-C280 WeakPolarHBondContact O-CB 3.32Å; L276-C280 PolarHBondContact O-N 2.98Å; L276-I284 VanDerWaalsContact C-CD1 3.48Å; L276-I284 HydrophobicContact CB-CD1 3.63Å; L276-I284 HydrophobicContact CB-CG1 4.33Å; L276-I306 HydrophobicContact CD1-CG2 3.69Å; L276-I306 HydrophobicContact CD2-CG2 4.22Å; L276-F384 HydrophobicContact CD2-CE2 3.92Å; L276-F384 HydrophobicContact CD2-CZ 3.56Å; L276-L388 HydrophobicContact CD2-CD1 4.21Å
277S93.3Very high93.5Very high63 Ų6349 Ų4944%0.44127%0.27SS..Hα-helixtrans-63.4-32.6-179.2-59.10000111.4K273 A274 A275 G281K273-S277 WeakPolarHBondContact O-CB 3.37Å; K273-S277 PolarHBondContact O-N 2.8Å; K273-S277 PolarHBondContact O-OG 2.92Å; A274-S277 PolarHBondContact O-N 3.4Å; A275-S277 VanDerWaalsContact C-N 3.25Å; A275-S277 PolarHBondContact O-N 3.2Å; S277-G281 WeakPolarHBondContact O-CA 3.48Å; S277-G281 PolarHBondContact O-N 2.63Å; S277-G281 VanDerWaalsContact O-N 3.07Å
278R93.1Very high94.1Very high114 Ų11447 Ų4743%0.4326%0.257SS..Hα-helixtrans-74-29173.9-60.9177.2-175.8-178.8-0.5112.8A274 A275 L276 N391A274-R278 PolarHBondContact O-N 3.2Å; A275-R278 PolarHBondContact O-N 3.03Å; A275-R278 VanDerWaalsContact O-N 3.16Å; L276-R278 PolarHBondContact O-N 3.4Å; R278-N391 HydrophobicContact CB-CB 4.36Å; R278-N391 WeakPolarHBondContact CB-OD1 3.03Å; R278-N391 WeakPolarHBondContact CD-OD1 3.2Å
279V93.8Very high94.2Very high17 Ų1747.2 Ų47.210%0.10326%0.261CS..Hα-helixtrans-89.5-43.9-177.7179.80000112.8F260 A275 L276 F384 L387F260-V279 HydrophobicContact CB-CG1 4.44Å; F260-V279 HydrophobicContact CD2-CG1 3.95Å; F260-V279 HydrophobicContact CG-CG1 4.46Å; A275-V279 WeakPolarHBondContact O-CG2 3.39Å; A275-V279 PolarHBondContact O-N 3.45Å; L276-V279 PolarHBondContact O-N 2.78Å; V279-F384 HydrophobicContact CG1-CD2 3.87Å; V279-F384 HydrophobicContact CG1-CE2 3.97Å; V279-L387 HydrophobicContact CG1-CB 4.06Å; V279-L387 HydrophobicContact CG1-CD1 4.2Å; V279-L387 HydrophobicContact CG2-CB 3.93Å
280C93.6Very high94.5Very high6 Ų644.1 Ų44.14%0.04125%0.25CC..Hα-helixtrans-102.7-13.2-172.3-60.30000113F260 L276 D282 R283 I284F260-C280 WeakPolarHBondContact O-CA 3.38Å; F260-C280 WeakPolarHBondContact O-CB 3.38Å; L276-C280 WeakPolarHBondContact O-CB 3.32Å; L276-C280 PolarHBondContact O-N 2.98Å; C280-D282 PolarHBondContact O-N 3.13Å; C280-R283 PolarHBondContact O-N 2.96Å; C280-I284 HydrophobicContact CB-CD1 4.28Å; C280-I284 HydrophobicContact CB-CG1 3.72Å
281G91.8Very high94.8Very high36 Ų3637.6 Ų37.637%0.37122%0.219SC..THydrogen-bonded Turntrans57-133.1-169.600000110.9S277 R283S277-G281 WeakPolarHBondContact O-CA 3.48Å; S277-G281 PolarHBondContact O-N 2.63Å; S277-G281 VanDerWaalsContact O-N 3.07Å; G281-R283 PolarHBondContact O-N 3.21Å
282D90Very high95.1Very high165 Ų16533.8 Ų33.888%0.88220%0.196SC*.THydrogen-bonded Turntrans-76.6-0-179-58.5-33.4000114.1C280 I284C280-D282 PolarHBondContact O-N 3.13Å; D282-I284 PolarHBondContact O-N 3.22Å; D282-I284 VanDerWaalsContact O-N 3.13Å
283R94.9Very high95.3Very high89 Ų8933.7 Ų33.734%0.33620%0.195SC..  trans-89.643.3-177.1-59-178.270.5-155.9-7.6112.3S259 S261 A262 C280 G281 F285S259-R283 PolarHBondContact O-NH1 3.4Å; S259-R283 VanDerWaalsContact OG-CD 3.25Å; S259-R283 WeakPolarHBondContact OG-CD 3.49Å; S259-R283 PolarHBondContact OG-NH1 3.24Å; S261-R283 CarbonylContact C-O 3.53Å; S261-R283 VanDerWaalsContact CA-O 3.24Å; S261-R283 WeakPolarHBondContact CA-O 3.44Å; S261-R283 WeakPolarHBondContact CB-O 3.41Å; S261-R283 PolarHBondContact OG-NH2 3.46Å; A262-R283 PolarHBondContact N-O 3.46Å; C280-R283 PolarHBondContact O-N 2.96Å; G281-R283 PolarHBondContact O-N 3.21Å; R283-F285 HydrophobicContact CB-CE2 4.32Å
284I96.1Very high95.6Very high38 Ų3831.5 Ų31.520%0.19519%0.186CC..EExtended strand (participates in β ladder)trans-112.7124175-56.9166.9000108.2A262 I264 L276 C280 D282A262-I284 CarbonylContact O-C 3.53Å; A262-I284 WeakPolarHBondContact O-CA 3.36Å; I264-I284 HydrophobicContact CD1-CG2 3.63Å; I264-I284 HydrophobicContact CG1-CG2 3.9Å; L276-I284 VanDerWaalsContact C-CD1 3.48Å; L276-I284 HydrophobicContact CB-CD1 3.63Å; L276-I284 HydrophobicContact CB-CG1 4.33Å; C280-I284 HydrophobicContact CB-CD1 4.28Å; C280-I284 HydrophobicContact CB-CG1 3.72Å; D282-I284 PolarHBondContact O-N 3.22Å; D282-I284 VanDerWaalsContact O-N 3.13Å
285F97.1Very high95.8Very high9 Ų929.8 Ų29.84%0.03917%0.171CC..EExtended strand (participates in β ladder)trans-116.4124.1-175.3-55.5-87.2000109.9Q172 I174 A262 V263 I264 R283 V302Q172-F285 HydrophobicContact CB-CE1 4.07Å; Q172-F285 HydrophobicContact CB-CZ 4.26Å; Q172-F285 HydrophobicContact CG-CE1 4.24Å; Q172-F285 HydrophobicContact CG-CZ 4.46Å; I174-F285 HydrophobicContact CD1-CB 3.9Å; I174-F285 HydrophobicContact CD1-CD1 3.87Å; I174-F285 HydrophobicContact CD1-CD2 3.48Å; I174-F285 VanDerWaalsContact CD1-CD2 3.48Å; I174-F285 HydrophobicContact CD1-CE1 4.27Å; I174-F285 HydrophobicContact CD1-CE2 3.92Å; I174-F285 HydrophobicContact CD1-CG 3.45Å; I174-F285 VanDerWaalsContact CD1-CG 3.45Å; I174-F285 HydrophobicContact CD1-CZ 4.3Å; I174-F285 HydrophobicContact CG2-CB 4.15Å; A262-F285 PolarHBondContact O-N 3.25Å; V263-F285 CarbonylContact C-O 3.47Å; V263-F285 VanDerWaalsContact CA-O 3.27Å; V263-F285 WeakPolarHBondContact CA-O 3.48Å; V263-F285 HydrophobicContact CG2-CB 4.32Å; V263-F285 WeakPolarHBondContact CG2-O 3.45Å; I264-F285 PolarHBondContact N-O 3.21Å; R283-F285 HydrophobicContact CB-CE2 4.32Å; F285-V302 HydrophobicContact CD2-CG1 3.84Å; F285-V302 HydrophobicContact CE2-CG1 4.26Å
286G97.1Very high96Very high30 Ų3029.7 Ų29.731%0.30917%0.171SC..EExtended strand (participates in β ladder)trans-80.4129.3167.900000110.2P176 I264P176-G286 VanDerWaalsContact CA-O 3.29Å; P176-G286 WeakPolarHBondContact CA-O 3.31Å; P176-G286 WeakPolarHBondContact CB-O 3.47Å; I264-G286 WeakPolarHBondContact O-CA 3.46Å
287A97.8Very high96.2Very high1 Ų129.7 Ų29.71%0.00817%0.171CC..  trans-144.2147.2176.200000113.7I174 F175 P176 V263 I264 Y292 K293I174-A287 HydrophobicContact CG2-CB 4.19Å; F175-A287 WeakPolarHBondContact O-CB 3.22Å; P176-A287 WeakPolarHBondContact O-CA 3.29Å; V263-A287 HydrophobicContact CG2-CB 3.66Å; I264-A287 PolarHBondContact O-N 3.26Å; A287-Y292 HydrophobicContact CB-CD1 4.29Å; A287-Y292 HydrophobicContact CB-CE1 4.25Å; A287-K293 HydrophobicContact CB-CG 3.97Å; A287-K293 WeakPolarHBondContact O-CD 3.37Å; A287-K293 PolarHBondContact O-NZ 3.25Å
288A97.2Very high96.5Very high19 Ų1926.7 Ų26.716%0.15715%0.15CC..SBendtrans-77.8167.3169.900000112Q160 P176 C181 Y292Q160-A288 HydrophobicContact CG-CB 3.53Å; P176-A288 PolarHBondContact O-N 2.58Å; C181-A288 HydrophobicContact CB-CB 4.03Å; A288-Y292 WeakPolarHBondContact O-CD1 3.37Å
289G97.1Very high96.6Very high9 Ų923.8 Ų23.89%0.09314%0.141CC..  trans71.8121.6178.200000115.2D156 S157 K293D156-G289 WeakPolarHBondContact OD2-CA 3.44Å; S157-G289 PolarHBondContact OG-N 3.26Å; G289-K293 WeakPolarHBondContact O-CG 3.3Å; G289-K293 PolarHBondContact O-N 2.88Å; G289-K293 PolarHBondContact O-NZ 3.47Å
290A97.8Very high96.7Very high14 Ų1425.2 Ų25.212%0.11616%0.159CC..Hα-helixtrans-70-43.4179.400000110.7D156 K293 S294 T312 D316D156-A290 PolarHBondContact OD1-N 3.23Å; D156-A290 PolarHBondContact OD2-N 3.35Å; D156-A290 VanDerWaalsContact OD2-N 3.08Å; A290-K293 PolarHBondContact O-N 3.16Å; A290-S294 PolarHBondContact O-N 2.99Å; A290-S294 VanDerWaalsContact O-N 3.12Å; A290-S294 PolarHBondContact O-OG 3.4Å; A290-T312 HydrophobicContact CB-CG2 4.39Å; A290-D316 HydrophobicContact CB-CB 3.89Å
291G98.4Very high96.8Very high0 Ų027.9 Ų27.90%017%0.173CC..Hα-helixtrans-61.3-46.1171.500000112.1D156 K293 S294 L295D156-G291 VanDerWaalsContact OD2-CA 3.29Å; D156-G291 WeakPolarHBondContact OD2-CA 3.46Å; D156-G291 PolarHBondContact OD2-N 2.76Å; G291-K293 PolarHBondContact O-N 2.8Å; G291-S294 PolarHBondContact O-N 2.73Å; G291-L295 WeakPolarHBondContact O-CB 3.46Å; G291-L295 PolarHBondContact O-N 3.33Å
292Y98.7Very high97.1Very high4 Ų426.4 Ų26.42%0.01616%0.156CC..Hα-helixtrans-62.6-41.2177.9179.7-111.6000113.6D156 I174 F175 Q180 C181 Q203 A287 A288 S294 L295 C296D156-Y292 PolarHBondContact OD2-N 2.84Å; I174-Y292 HydrophobicContact CG2-CE1 4.46Å; F175-Y292 HydrophobicContact CB-CE1 4.2Å; F175-Y292 WeakPolarHBondContact CD2-OH 3.39Å; F175-Y292 PolarHBondContact N-OH 3.5Å; F175-Y292 WeakPolarHBondContact O-CE1 3.15Å; Q180-Y292 WeakPolarHBondContact O-CD2 3.33Å; C181-Y292 HydrophobicContact CB-CD1 4.02Å; C181-Y292 HydrophobicContact CB-CG 4.19Å; C181-Y292 WeakPolarHBondContact O-CB 3.28Å; Q203-Y292 VanDerWaalsContact NE2-CD2 3.31Å; A287-Y292 HydrophobicContact CB-CD1 4.29Å; A287-Y292 HydrophobicContact CB-CE1 4.25Å; A288-Y292 WeakPolarHBondContact O-CD1 3.37Å; Y292-S294 PolarHBondContact O-N 2.92Å; Y292-L295 HydrophobicContact CD2-CD2 4.49Å; Y292-L295 WeakPolarHBondContact O-CB 3.37Å; Y292-L295 PolarHBondContact O-N 3.48Å; Y292-C296 PolarHBondContact O-N 2.77Å; Y292-C296 PolarHBondContact O-SG 2.89Å
293K98.8Very high97.4Very high8 Ų820.2 Ų20.24%0.03512%0.123CC..Hα-helixtrans-62-43.2174.5-78.9-173.1-66.7-64.10112V263 A287 G289 A290 G291 L295 C296 V297 Y305V263-K293 HydrophobicContact CG1-CB 3.9Å; V263-K293 HydrophobicContact CG1-CD 4.47Å; V263-K293 HydrophobicContact CG1-CG 4.06Å; V263-K293 HydrophobicContact CG2-CD 4.21Å; V263-K293 HydrophobicContact CG2-CG 3.81Å; A287-K293 HydrophobicContact CB-CG 3.97Å; A287-K293 WeakPolarHBondContact O-CD 3.37Å; A287-K293 PolarHBondContact O-NZ 3.25Å; G289-K293 WeakPolarHBondContact O-CG 3.3Å; G289-K293 PolarHBondContact O-N 2.88Å; G289-K293 PolarHBondContact O-NZ 3.47Å; A290-K293 PolarHBondContact O-N 3.16Å; G291-K293 PolarHBondContact O-N 2.8Å; K293-L295 VanDerWaalsContact C-N 3.31Å; K293-L295 PolarHBondContact O-N 2.92Å; K293-C296 WeakPolarHBondContact O-CB 3.32Å; K293-C296 PolarHBondContact O-N 2.83Å; K293-V297 PolarHBondContact O-N 3.28Å; K293-Y305 HydrophobicContact CB-CD1 3.81Å; K293-Y305 HydrophobicContact CB-CD2 3.85Å; K293-Y305 HydrophobicContact CB-CE1 3.84Å; K293-Y305 HydrophobicContact CB-CE2 3.95Å; K293-Y305 HydrophobicContact CB-CG 3.83Å; K293-Y305 HydrophobicContact CD-CD2 3.89Å; K293-Y305 HydrophobicContact CD-CE2 3.57Å; K293-Y305 VanDerWaalsContact CE-CZ 3.45Å; K293-Y305 WeakPolarHBondContact CE-OH 3.32Å; K293-Y305 HydrophobicContact CG-CD2 4.43Å; K293-Y305 HydrophobicContact CG-CE2 4.39Å
294S98.8Very high97.6Very high2 Ų216 Ų161%0.01411%0.107CC..Hα-helixtrans-64.3-38.2174.8-54.70000111.7A290 G291 Y292 C296 V297 V298 Y305A290-S294 PolarHBondContact O-N 2.99Å; A290-S294 VanDerWaalsContact O-N 3.12Å; A290-S294 PolarHBondContact O-OG 3.4Å; G291-S294 PolarHBondContact O-N 2.73Å; Y292-S294 PolarHBondContact O-N 2.92Å; S294-C296 VanDerWaalsContact C-N 3.3Å; S294-C296 PolarHBondContact O-N 3.18Å; S294-V297 WeakPolarHBondContact O-CB 3.41Å; S294-V297 PolarHBondContact O-N 3.06Å; S294-V297 VanDerWaalsContact O-N 3.09Å; S294-V298 WeakPolarHBondContact O-CG2 3.37Å; S294-V298 PolarHBondContact O-N 2.77Å; S294-Y305 WeakPolarHBondContact OG-CD1 3.36Å; S294-Y305 WeakPolarHBondContact OG-CE1 3.12Å
295L98.6Very high97.7Very high0 Ų014.4 Ų14.40%010%0.099CC..Hα-helixtrans-62.2-36.1175.1-178.662.1000112.3T183 I201 Q203 Y220 G291 Y292 K293 V297 V298 Q299T183-L295 HydrophobicContact CG2-CD2 4.4Å; I201-L295 HydrophobicContact CD1-CB 4.42Å; I201-L295 HydrophobicContact CD1-CD1 4.32Å; I201-L295 HydrophobicContact CG2-CD1 4.35Å; I201-L295 HydrophobicContact CG2-CD2 4.12Å; Q203-L295 HydrophobicContact CG-CD2 3.56Å; Y220-L295 HydrophobicContact CD1-CD1 4.11Å; Y220-L295 HydrophobicContact CD2-CD1 3.56Å; Y220-L295 HydrophobicContact CD2-CD2 4.07Å; Y220-L295 HydrophobicContact CD2-CG 4.47Å; Y220-L295 HydrophobicContact CE1-CD1 4.31Å; Y220-L295 HydrophobicContact CE2-CD1 3.8Å; Y220-L295 HydrophobicContact CE2-CD2 3.72Å; Y220-L295 HydrophobicContact CE2-CG 4.34Å; Y220-L295 HydrophobicContact CG-CD1 3.73Å; G291-L295 WeakPolarHBondContact O-CB 3.46Å; G291-L295 PolarHBondContact O-N 3.33Å; Y292-L295 HydrophobicContact CD2-CD2 4.49Å; Y292-L295 WeakPolarHBondContact O-CB 3.37Å; Y292-L295 PolarHBondContact O-N 3.48Å; K293-L295 VanDerWaalsContact C-N 3.31Å; K293-L295 PolarHBondContact O-N 2.92Å; L295-V297 PolarHBondContact O-N 2.9Å; L295-V298 HydrophobicContact CD1-CB 4.25Å; L295-V298 HydrophobicContact CD1-CG1 4.14Å; L295-V298 WeakPolarHBondContact O-CB 3.14Å; L295-V298 PolarHBondContact O-N 3Å; L295-V298 VanDerWaalsContact O-N 3.15Å; L295-Q299 HydrophobicContact CD1-CG 3.99Å; L295-Q299 HydrophobicContact CG-CG 4.18Å; L295-Q299 WeakPolarHBondContact O-CB 3.34Å; L295-Q299 WeakPolarHBondContact O-CG 3.36Å; L295-Q299 PolarHBondContact O-N 3.02Å
296C98.5Very high97.7Very high0 Ų014 Ų140%010%0.097CC..Hα-helixtrans-59.8-35174.3-65.30000112Y292 K293 S294 G300 L301 V302Y292-C296 PolarHBondContact O-N 2.77Å; Y292-C296 PolarHBondContact O-SG 2.89Å; K293-C296 WeakPolarHBondContact O-CB 3.32Å; K293-C296 PolarHBondContact O-N 2.83Å; S294-C296 VanDerWaalsContact C-N 3.3Å; S294-C296 PolarHBondContact O-N 3.18Å; C296-G300 PolarHBondContact O-N 3.41Å; C296-L301 HydrophobicContact CB-CB 4.39Å; C296-L301 WeakPolarHBondContact O-CB 3.38Å; C296-L301 PolarHBondContact O-N 2.97Å; C296-V302 HydrophobicContact CB-CG2 3.94Å; C296-V302 PolarHBondContact O-N 2.94Å
297V98.4Very high97.7Very high0 Ų012.6 Ų12.60%08%0.083CC..Hα-helixtrans-71.4-45.8173.1-176.40000110.8K293 S294 L295 Q299 G300 V302 L324 A374 R376K293-V297 PolarHBondContact O-N 3.28Å; S294-V297 WeakPolarHBondContact O-CB 3.41Å; S294-V297 PolarHBondContact O-N 3.06Å; S294-V297 VanDerWaalsContact O-N 3.09Å; L295-V297 PolarHBondContact O-N 2.9Å; V297-Q299 VanDerWaalsContact C-N 3.31Å; V297-Q299 PolarHBondContact O-N 3.22Å; V297-G300 PolarHBondContact O-N 2.77Å; V297-V302 HydrophobicContact CG2-CG2 3.84Å; V297-L324 HydrophobicContact CB-CD2 4.42Å; V297-L324 HydrophobicContact CG1-CD2 3.86Å; V297-A374 HydrophobicContact CG2-CB 4.47Å; V297-R376 HydrophobicContact CG1-CB 4.4Å
298V98.1Very high97.7Very high0 Ų013.1 Ų13.10%09%0.086CC..Hα-helixtrans-55.1-46.5177.2165.30000110.9L233 S294 L295 G300 I323 L324 M327L233-V298 HydrophobicContact CD1-CG1 3.43Å; L233-V298 VanDerWaalsContact CD1-CG1 3.43Å; L233-V298 WeakPolarHBondContact CD1-O 3.49Å; S294-V298 WeakPolarHBondContact O-CG2 3.37Å; S294-V298 PolarHBondContact O-N 2.77Å; L295-V298 HydrophobicContact CD1-CB 4.25Å; L295-V298 HydrophobicContact CD1-CG1 4.14Å; L295-V298 WeakPolarHBondContact O-CB 3.14Å; L295-V298 PolarHBondContact O-N 3Å; L295-V298 VanDerWaalsContact O-N 3.15Å; V298-G300 PolarHBondContact O-N 3.29Å; V298-I323 HydrophobicContact CG1-CG2 3.65Å; V298-I323 HydrophobicContact CG2-CB 4.34Å; V298-I323 HydrophobicContact CG2-CG2 4.1Å; V298-L324 HydrophobicContact CB-CD2 4.45Å; V298-L324 HydrophobicContact CG2-CD1 4.46Å; V298-L324 HydrophobicContact CG2-CD2 3.66Å; V298-L324 HydrophobicContact CG2-CG 3.72Å; V298-M327 HydrophobicContact CG1-SD 4.49Å
299Q96.7Very high97.6Very high53 Ų5315.4 Ų15.425%0.2489%0.093CC..THydrogen-bonded Turntrans-71.7-14.4177.8-67.9176.8-50.100113.6Y220 L295 V297 L301Y220-Q299 HydrophobicContact CE1-CG 4.18Å; Y220-Q299 PolarHBondContact OH-NE2 3.23Å; L295-Q299 HydrophobicContact CD1-CG 3.99Å; L295-Q299 HydrophobicContact CG-CG 4.18Å; L295-Q299 WeakPolarHBondContact O-CB 3.34Å; L295-Q299 WeakPolarHBondContact O-CG 3.36Å; L295-Q299 PolarHBondContact O-N 3.02Å; V297-Q299 VanDerWaalsContact C-N 3.31Å; V297-Q299 PolarHBondContact O-N 3.22Å; Q299-L301 HydrophobicContact CB-CD1 4.44Å; Q299-L301 HydrophobicContact CB-CG 4.05Å
300G95.9Very high97.4Very high46 Ų4618.5 Ų18.547%0.47411%0.108SC..THydrogen-bonded Turntrans73.723-175.300000114.2C296 V297 V298 V302C296-G300 PolarHBondContact O-N 3.41Å; V297-G300 PolarHBondContact O-N 2.77Å; V298-G300 PolarHBondContact O-N 3.29Å; G300-V302 VanDerWaalsContact C-N 3.32Å
301L95.8Very high97.2Very high63 Ų6319 Ų1933%0.3311%0.11SC..SBendtrans-70.4-34171.5-62.1177.7000111I174 C296 Q299I174-L301 HydrophobicContact CD1-CB 4.42Å; I174-L301 HydrophobicContact CG1-CB 4.09Å; I174-L301 HydrophobicContact CG1-CD1 4.25Å; C296-L301 HydrophobicContact CB-CB 4.39Å; C296-L301 WeakPolarHBondContact O-CB 3.38Å; C296-L301 PolarHBondContact O-N 2.97Å; Q299-L301 HydrophobicContact CB-CD1 4.44Å; Q299-L301 HydrophobicContact CB-CG 4.05Å
302V96.8Very high97.1Very high5 Ų519.3 Ų19.33%0.0311%0.111CC..  trans-129.6158.9172.4-63.70000111.4I174 S261 V263 F285 C296 V297 G300I174-V302 HydrophobicContact CD1-CG1 3.39Å; S261-V302 WeakPolarHBondContact OG-CA 3.38Å; V263-V302 HydrophobicContact CB-CG1 4.23Å; V263-V302 HydrophobicContact CB-CG2 4.03Å; V263-V302 HydrophobicContact CG1-CG2 3.82Å; F285-V302 HydrophobicContact CD2-CG1 3.84Å; F285-V302 HydrophobicContact CE2-CG1 4.26Å; C296-V302 HydrophobicContact CB-CG2 3.94Å; C296-V302 PolarHBondContact O-N 2.94Å; V297-V302 HydrophobicContact CG2-CG2 3.84Å; G300-V302 VanDerWaalsContact C-N 3.32Å
303D97.1Very high97.1Very high35 Ų3519.3 Ų19.319%0.18711%0.111CC..SBendtrans-77.7-39175-67.7-63.8000112.4F260 S261 R380F260-D303 WeakPolarHBondContact CA-OD2 3.47Å; F260-D303 HydrophobicContact CD1-CB 4.36Å; S261-D303 PolarHBondContact N-OD2 2.78Å; S261-D303 WeakPolarHBondContact O-CB 3.39Å; S261-D303 PolarHBondContact O-N 3.08Å; S261-D303 VanDerWaalsContact O-N 3.09Å; S261-D303 PolarHBondContact OG-N 3.03Å; D303-R380 IonicContact OD1-CZ 3.96Å; D303-R380 IonicContact OD1-NE 3.88Å; D303-R380 PolarHBondContact OD1-NE 3.44Å; D303-R380 IonicContact OD1-NH2 3.69Å; D303-R380 PolarHBondContact OD1-NH2 2.83Å; D303-R380 IonicContact OD2-CZ 2.7Å; D303-R380 IonicContact OD2-NH2 3.26Å; D303-R380 PolarHBondContact OD2-NH2 2.92Å
304I98.1Very high97.1Very high1 Ų119.5 Ų19.51%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-135.2137.6-168.4-60.6-64.2000110.5S261 A262 V263 I306 I373 L381 F384S261-I304 PolarHBondContact O-N 3.06Å; S261-I304 VanDerWaalsContact O-N 3.1Å; A262-I304 CarbonylContact C-O 3.52Å; A262-I304 VanDerWaalsContact CA-O 3.23Å; A262-I304 WeakPolarHBondContact CA-O 3.39Å; V263-I304 PolarHBondContact N-O 3.1Å; I304-I306 HydrophobicContact CG2-CB 4.3Å; I304-I373 HydrophobicContact CD1-CG2 4.26Å; I304-I373 HydrophobicContact CG2-CG2 3.72Å; I304-L381 HydrophobicContact CD1-CD1 4.15Å; I304-F384 HydrophobicContact CB-CZ 4.44Å; I304-F384 HydrophobicContact CD1-CD1 4.18Å; I304-F384 HydrophobicContact CD1-CG 4.27Å; I304-F384 HydrophobicContact CG1-CD1 4.09Å; I304-F384 HydrophobicContact CG1-CD2 4.02Å; I304-F384 HydrophobicContact CG1-CE1 4.26Å; I304-F384 HydrophobicContact CG1-CE2 4.19Å; I304-F384 HydrophobicContact CG1-CG 3.96Å; I304-F384 HydrophobicContact CG1-CZ 4.3Å; I304-F384 HydrophobicContact CG2-CD1 4.49Å; I304-F384 HydrophobicContact CG2-CE1 3.92Å; I304-F384 HydrophobicContact CG2-CZ 3.96Å
305Y98.6Very high97.1Very high3 Ų319.8 Ų19.81%0.01211%0.113CC..EExtended strand (participates in β ladder)trans-110.3123.8156.4163.3-146.5000107.4V263 K293 S294 F307 L372 I373 A374V263-Y305 HydrophobicContact CG1-CD2 4.06Å; V263-Y305 HydrophobicContact CG1-CG 4.05Å; V263-Y305 WeakPolarHBondContact O-CA 3.4Å; V263-Y305 WeakPolarHBondContact O-CD2 3.34Å; K293-Y305 HydrophobicContact CB-CD1 3.81Å; K293-Y305 HydrophobicContact CB-CD2 3.85Å; K293-Y305 HydrophobicContact CB-CE1 3.84Å; K293-Y305 HydrophobicContact CB-CE2 3.95Å; K293-Y305 HydrophobicContact CB-CG 3.83Å; K293-Y305 HydrophobicContact CD-CD2 3.89Å; K293-Y305 HydrophobicContact CD-CE2 3.57Å; K293-Y305 VanDerWaalsContact CE-CZ 3.45Å; K293-Y305 WeakPolarHBondContact CE-OH 3.32Å; K293-Y305 HydrophobicContact CG-CD2 4.43Å; K293-Y305 HydrophobicContact CG-CE2 4.39Å; S294-Y305 WeakPolarHBondContact OG-CD1 3.36Å; S294-Y305 WeakPolarHBondContact OG-CE1 3.12Å; Y305-F307 HydrophobicContact CE2-CB 3.81Å; Y305-L372 HydrophobicContact CD1-CD1 4Å; Y305-L372 HydrophobicContact CE1-CD1 3.69Å; Y305-I373 CarbonylContact O-C 3.57Å; Y305-I373 VanDerWaalsContact O-CA 3.28Å; Y305-I373 WeakPolarHBondContact O-CA 3.22Å; Y305-A374 HydrophobicContact CD1-CB 4.14Å; Y305-A374 PolarHBondContact N-O 3.08Å; Y305-A374 PolarHBondContact O-N 3.36Å
306I98Very high97.1Very high0 Ų020.5 Ų20.50%012%0.117CC..EExtended strand (participates in β ladder)trans-119.4140.3175.3-176169.8000110.2V263 I264 I272 L276 I304 L334 L372 I373 L388V263-I306 PolarHBondContact O-N 3.49Å; I264-I306 HydrophobicContact CG2-CG2 3.5Å; I272-I306 HydrophobicContact CG2-CD1 4.1Å; L276-I306 HydrophobicContact CD1-CG2 3.69Å; L276-I306 HydrophobicContact CD2-CG2 4.22Å; I304-I306 HydrophobicContact CG2-CB 4.3Å; I306-L334 HydrophobicContact CD1-CD1 3.8Å; I306-L334 HydrophobicContact CD1-CD2 4.21Å; I306-L334 HydrophobicContact CG1-CD1 4.27Å; I306-L334 HydrophobicContact CG1-CD2 4.13Å; I306-L372 WeakPolarHBondContact CA-O 3.47Å; I306-I373 HydrophobicContact CB-CG1 4.45Å; I306-I373 HydrophobicContact CD1-CG1 4.32Å; I306-I373 HydrophobicContact CG1-CG1 4.09Å; I306-L388 HydrophobicContact CD1-CD2 3.92Å
307F97.8Very high97.1Very high2 Ų220.5 Ų20.51%0.00912%0.117CC..EExtended strand (participates in β ladder)trans-142.1126173.8-171.7-108.3000109.5E268 Y305 E309 T311 T312 G371 L372E268-F307 WeakPolarHBondContact OE2-CA 3.33Å; Y305-F307 HydrophobicContact CE2-CB 3.81Å; F307-E309 VanDerWaalsContact CD1-O 3.24Å; F307-E309 WeakPolarHBondContact CD1-O 3.36Å; F307-E309 HydrophobicContact CE1-CB 3.74Å; F307-E309 WeakPolarHBondContact CE1-O 3.31Å; F307-E309 HydrophobicContact CZ-CB 3.81Å; F307-E309 HydrophobicContact CZ-CG 4.43Å; F307-T311 VanDerWaalsContact CZ-OG1 3.3Å; F307-T311 WeakPolarHBondContact CZ-OG1 3.49Å; F307-T312 HydrophobicContact CD1-CG2 3.57Å; F307-T312 HydrophobicContact CE1-CG2 3.64Å; F307-T312 HydrophobicContact CG-CG2 4.24Å; F307-T312 HydrophobicContact CZ-CG2 4.36Å; F307-G371 CarbonylContact O-C 3.58Å; F307-G371 WeakPolarHBondContact O-CA 3.47Å; F307-L372 HydrophobicContact CB-CD1 4.18Å; F307-L372 HydrophobicContact CB-CG 4.23Å; F307-L372 PolarHBondContact N-O 2.85Å; F307-L372 PolarHBondContact O-N 2.5Å
308S96Very high97.1Very high11 Ų1120.5 Ų20.58%0.07712%0.117CC..  trans-104.25.4-171.281.10000116.9E268 K269E268-S308 VanDerWaalsContact OE1-CB 3.24Å; E268-S308 WeakPolarHBondContact OE1-CB 3.49Å; E268-S308 PolarHBondContact OE1-OG 3.5Å; E268-S308 PolarHBondContact OE2-N 3.12Å; E268-S308 VanDerWaalsContact OE2-N 3.14Å; K269-S308 VanDerWaalsContact CD-OG 3.31Å; K269-S308 WeakPolarHBondContact CD-OG 3.03Å; K269-S308 PolarHBondContact NZ-O 3.25Å
309E94.8Very high97.2Very high68 Ų6820.5 Ų20.532%0.31812%0.117SC..SBendtrans-110.5164.1-179.4-57.8-70.4-165.700111.7K269 F307 T311K269-E309 WeakPolarHBondContact CE-OE1 3.31Å; K269-E309 WeakPolarHBondContact CE-OE2 3.29Å; K269-E309 IonicContact NZ-OE1 3.59Å; K269-E309 IonicContact NZ-OE2 2.84Å; K269-E309 PolarHBondContact NZ-OE2 3.2Å; F307-E309 VanDerWaalsContact CD1-O 3.24Å; F307-E309 WeakPolarHBondContact CD1-O 3.36Å; F307-E309 HydrophobicContact CE1-CB 3.74Å; F307-E309 WeakPolarHBondContact CE1-O 3.31Å; F307-E309 HydrophobicContact CZ-CB 3.81Å; F307-E309 HydrophobicContact CZ-CG 4.43Å; E309-T311 PolarHBondContact O-N 2.73Å
310D94.1Very high97.3Very high74 Ų7418 Ų1840%0.39611%0.105SC..SBendtrans-88.125.5-177.3-58.4-17.1000112.8K369 G370D310-K369 WeakPolarHBondContact OD1-CA 3.18Å; D310-G370 PolarHBondContact OD1-N 3.14Å
311T93.9Very high97.4Very high25 Ų2515.8 Ų15.815%0.1538%0.083CC..  trans-112.524.6-170.551.90000113.2N42 K44 F307 E309N42-T311 PolarHBondContact ND2-O 3.48Å; N42-T311 WeakPolarHBondContact OD1-CB 3.29Å; K44-T311 HydrophobicContact CB-CG2 3.88Å; F307-T311 VanDerWaalsContact CZ-OG1 3.3Å; F307-T311 WeakPolarHBondContact CZ-OG1 3.49Å; E309-T311 PolarHBondContact O-N 2.73Å
312T96.9Very high97.5Very high5 Ų512.8 Ų12.83%0.0317%0.067CC..  trans-112.8153161.156.80000109.1A290 F307 D316 A367 N368 L372A290-T312 HydrophobicContact CB-CG2 4.39Å; F307-T312 HydrophobicContact CD1-CG2 3.57Å; F307-T312 HydrophobicContact CE1-CG2 3.64Å; F307-T312 HydrophobicContact CG-CG2 4.24Å; F307-T312 HydrophobicContact CZ-CG2 4.36Å; T312-D316 WeakPolarHBondContact CA-OD2 3.43Å; T312-D316 WeakPolarHBondContact CB-OD2 3.46Å; T312-A367 CarbonylContact O-C 3.6Å; T312-A367 WeakPolarHBondContact O-CA 3.42Å; T312-N368 PolarHBondContact O-N 3.15Å; T312-N368 PolarHBondContact OG1-ND2 3.41Å; T312-L372 HydrophobicContact CG2-CD2 4.44Å; T312-L372 WeakPolarHBondContact OG1-CD2 3.38Å
313F97.9Very high97.6Very high4 Ų412.6 Ų12.62%0.0187%0.066CC..BIsolated β-bridgetrans-124.6178.7-173.7-58.5-89.2000112.3N42 W315 D316 S317 V363 W366 A367 N368N42-F313 HydrophobicContact CB-CE2 4.3Å; F313-W315 VanDerWaalsContact C-N 3.3Å; F313-W315 HydrophobicContact CB-CD2 3.66Å; F313-W315 HydrophobicContact CB-CE3 4.1Å; F313-W315 HydrophobicContact CB-CG 4.22Å; F313-W315 HydrophobicContact CB-CH2 3.93Å; F313-W315 HydrophobicContact CB-CZ2 3.45Å; F313-W315 VanDerWaalsContact CB-CZ2 3.45Å; F313-W315 HydrophobicContact CB-CZ3 4.23Å; F313-W315 AromaticContact CD1-CH2 3.87Å; F313-W315 HydrophobicContact CD1-CH2 3.87Å; F313-W315 AromaticContact CD1-CZ2 3.72Å; F313-W315 HydrophobicContact CD1-CZ2 3.72Å; F313-W315 AromaticContact CD2-CE2 3.97Å; F313-W315 AromaticContact CD2-CZ2 3.75Å; F313-W315 HydrophobicContact CD2-CZ2 3.75Å; F313-W315 AromaticContact CD2-NE1 3.94Å; F313-W315 HydrophobicContact CE1-CZ2 4.42Å; F313-W315 HydrophobicContact CE2-CZ2 4.43Å; F313-W315 HydrophobicContact CG-CD2 4.49Å; F313-W315 AromaticContact CG-CE2 3.67Å; F313-W315 AromaticContact CG-CH2 3.92Å; F313-W315 HydrophobicContact CG-CH2 3.92Å; F313-W315 AromaticContact CG-CZ2 3.35Å; F313-W315 HydrophobicContact CG-CZ2 3.35Å; F313-W315 PolarHBondContact O-N 2.85Å; F313-D316 PolarHBondContact N-OD2 3.06Å; F313-D316 PolarHBondContact O-N 3.21Å; F313-S317 PolarHBondContact O-OG 3.06Å; F313-V363 WeakPolarHBondContact CD1-O 3.48Å; F313-V363 HydrophobicContact CE1-CB 3.96Å; F313-V363 HydrophobicContact CE1-CG2 4.01Å; F313-V363 VanDerWaalsContact CE1-O 3.3Å; F313-V363 WeakPolarHBondContact CE1-O 3.49Å; F313-V363 HydrophobicContact CZ-CB 4.36Å; F313-V363 HydrophobicContact CZ-CG2 4.05Å; F313-W366 CarbonylContact C-O 3.55Å; F313-W366 VanDerWaalsContact CA-O 3.32Å; F313-W366 WeakPolarHBondContact CA-O 3.45Å; F313-A367 HydrophobicContact CD1-CB 3.99Å; F313-A367 HydrophobicContact CE1-CB 3.93Å; F313-N368 PolarHBondContact O-ND2 2.94Å
314K98.6Very high97.7Very high13 Ų1311 Ų116%0.0576%0.057CC..Hα-helixtrans-58.8-41.6178.1-63-40.5172.5-179.80112W151 S317 C318 V352 Y353 W366 N368W151-K314 HydrophobicContact CD2-CB 3.83Å; W151-K314 HydrophobicContact CE3-CB 4.47Å; W151-K314 HydrophobicContact CG-CB 4.04Å; W151-K314 HydrophobicContact CZ2-CB 4.1Å; W151-K314 HydrophobicContact CZ2-CG 4.3Å; K314-S317 PolarHBondContact O-N 3.03Å; K314-C318 VanDerWaalsContact O-CB 3.28Å; K314-C318 WeakPolarHBondContact O-CB 3.45Å; K314-C318 PolarHBondContact O-N 2.92Å; K314-V352 WeakPolarHBondContact CE-O 3.24Å; K314-V352 PolarHBondContact NZ-O 3.02Å; K314-Y353 HydrophobicContact CB-CD1 3.93Å; K314-Y353 HydrophobicContact CB-CE1 4.5Å; K314-Y353 HydrophobicContact CD-CD1 3.84Å; K314-Y353 HydrophobicContact CD-CE1 4.25Å; K314-Y353 HydrophobicContact CG-CD1 4.26Å; K314-W366 HydrophobicContact CG-CB 4.06Å; K314-W366 HydrophobicContact CG-CE3 4.27Å; K314-W366 WeakPolarHBondContact CG-O 3.1Å; K314-W366 PolarHBondContact N-O 3.05Å; K314-N368 PolarHBondContact NZ-OD1 2.78Å
315W98.5Very high97.7Very high7 Ų714.2 Ų14.23%0.0277%0.069CC..Hα-helixtrans-64.2-37.7178.449.285.1000113.5E79 W151 V152 D153 F313 S317 V363 W366E79-W315 HydrophobicContact CB-CD2 4.12Å; E79-W315 HydrophobicContact CB-CG 4.18Å; E79-W315 HydrophobicContact CB-CZ2 4.39Å; E79-W315 HydrophobicContact CG-CZ2 4.15Å; W151-W315 HydrophobicContact CB-CB 4.48Å; W151-W315 HydrophobicContact CE3-CB 4.41Å; W151-W315 AromaticContact CE3-CE3 3.71Å; W151-W315 HydrophobicContact CE3-CE3 3.71Å; W151-W315 HydrophobicContact CE3-CZ3 4.45Å; W151-W315 HydrophobicContact CH2-CE3 4.35Å; W151-W315 HydrophobicContact CH2-CZ3 4.34Å; W151-W315 AromaticContact CZ3-CE3 3.51Å; W151-W315 HydrophobicContact CZ3-CE3 3.51Å; W151-W315 AromaticContact CZ3-CZ3 3.8Å; W151-W315 HydrophobicContact CZ3-CZ3 3.8Å; V152-W315 WeakPolarHBondContact O-CB 3.42Å; D153-W315 HydrophobicContact CB-CB 4.08Å; F313-W315 VanDerWaalsContact C-N 3.3Å; F313-W315 HydrophobicContact CB-CD2 3.66Å; F313-W315 HydrophobicContact CB-CE3 4.1Å; F313-W315 HydrophobicContact CB-CG 4.22Å; F313-W315 HydrophobicContact CB-CH2 3.93Å; F313-W315 HydrophobicContact CB-CZ2 3.45Å; F313-W315 VanDerWaalsContact CB-CZ2 3.45Å; F313-W315 HydrophobicContact CB-CZ3 4.23Å; F313-W315 AromaticContact CD1-CH2 3.87Å; F313-W315 HydrophobicContact CD1-CH2 3.87Å; F313-W315 AromaticContact CD1-CZ2 3.72Å; F313-W315 HydrophobicContact CD1-CZ2 3.72Å; F313-W315 AromaticContact CD2-CE2 3.97Å; F313-W315 AromaticContact CD2-CZ2 3.75Å; F313-W315 HydrophobicContact CD2-CZ2 3.75Å; F313-W315 AromaticContact CD2-NE1 3.94Å; F313-W315 HydrophobicContact CE1-CZ2 4.42Å; F313-W315 HydrophobicContact CE2-CZ2 4.43Å; F313-W315 HydrophobicContact CG-CD2 4.49Å; F313-W315 AromaticContact CG-CE2 3.67Å; F313-W315 AromaticContact CG-CH2 3.92Å; F313-W315 HydrophobicContact CG-CH2 3.92Å; F313-W315 AromaticContact CG-CZ2 3.35Å; F313-W315 HydrophobicContact CG-CZ2 3.35Å; F313-W315 PolarHBondContact O-N 2.85Å; W315-S317 PolarHBondContact O-N 3.09Å; W315-V363 HydrophobicContact CH2-CB 4.12Å; W315-V363 HydrophobicContact CH2-CG1 4.21Å; W315-V363 HydrophobicContact CZ2-CB 4.46Å; W315-W366 HydrophobicContact CE3-CB 4.47Å; W315-W366 HydrophobicContact CH2-CB 4.17Å; W315-W366 HydrophobicContact CZ3-CB 3.69Å; W315-W366 AromaticContact CZ3-CD1 3.99Å; W315-W366 HydrophobicContact CZ3-CG 4.1Å
316D98.6Very high97.6Very high15 Ų1514.5 Ų14.58%0.087%0.072CC..Hα-helixtrans-63-26177.8-58.8-21.4000114.3L185 A290 T312 F313L185-D316 WeakPolarHBondContact CD1-O 3.47Å; A290-D316 HydrophobicContact CB-CB 3.89Å; T312-D316 WeakPolarHBondContact CA-OD2 3.43Å; T312-D316 WeakPolarHBondContact CB-OD2 3.46Å; F313-D316 PolarHBondContact N-OD2 3.06Å; F313-D316 PolarHBondContact O-N 3.21Å
317S98.8Very high97.5Very high1 Ų115.8 Ų15.81%0.0078%0.079CC..Hα-helixtrans-120.9-27.8-164.664.10000114.4F313 K314 W315 A319 A320 H321 Y353 N368F313-S317 PolarHBondContact O-OG 3.06Å; K314-S317 PolarHBondContact O-N 3.03Å; W315-S317 PolarHBondContact O-N 3.09Å; S317-A319 PolarHBondContact O-N 2.97Å; S317-A320 PolarHBondContact O-N 3.5Å; S317-H321 VanDerWaalsContact O-CB 3.23Å; S317-H321 WeakPolarHBondContact O-CB 3.44Å; S317-H321 PolarHBondContact O-N 3.2Å; S317-Y353 WeakPolarHBondContact OG-CE1 3.48Å; S317-Y353 PolarHBondContact OG-OH 2.86Å; S317-N368 PolarHBondContact OG-ND2 3.5Å
318C98.9Very high97.4Very high0 Ų018.2 Ų18.20%010%0.104CC..Hα-helixtrans-57.9-46.6-172-170.10000112.8W151 K314 H321 A322 Y353W151-C318 HydrophobicContact CB-CB 4.09Å; K314-C318 VanDerWaalsContact O-CB 3.28Å; K314-C318 WeakPolarHBondContact O-CB 3.45Å; K314-C318 PolarHBondContact O-N 2.92Å; C318-H321 PolarHBondContact O-N 2.81Å; C318-A322 PolarHBondContact O-N 3.17Å; C318-Y353 HydrophobicContact CB-CD1 3.57Å; C318-Y353 HydrophobicContact CB-CE1 3.48Å; C318-Y353 VanDerWaalsContact CB-CE1 3.48Å; C318-Y353 HydrophobicContact CB-CG 4.21Å
319A98.9Very high97.5Very high0 Ų018 Ų180%010%0.104CC..Hα-helixtrans-62.6-50.5-179.400000111.5L185 I186 I201 S317 H321 A322 I323L185-A319 HydrophobicContact CB-CB 3.93Å; I186-A319 WeakPolarHBondContact O-CB 3.47Å; I201-A319 HydrophobicContact CG1-CB 4.31Å; S317-A319 PolarHBondContact O-N 2.97Å; A319-H321 VanDerWaalsContact C-N 3.32Å; A319-H321 PolarHBondContact O-N 3.49Å; A319-A322 PolarHBondContact O-N 3.36Å; A319-I323 WeakPolarHBondContact O-CG1 3.16Å; A319-I323 PolarHBondContact O-N 3.37Å
320A98.8Very high97.7Very high0 Ų014.8 Ų14.80%09%0.089CC..Hα-helixtrans-65.3-37.4-179.800000112.2I201 S317 I323 L324 I331I201-A320 HydrophobicContact CD1-CB 3.82Å; S317-A320 PolarHBondContact O-N 3.5Å; A320-I323 PolarHBondContact O-N 2.85Å; A320-L324 WeakPolarHBondContact O-CB 3.44Å; A320-L324 VanDerWaalsContact O-CG 3.32Å; A320-L324 WeakPolarHBondContact O-CG 3.27Å; A320-L324 PolarHBondContact O-N 2.86Å; A320-I331 HydrophobicContact CB-CD1 4.42Å
321H98.9Very high97.9Very high0 Ų011.3 Ų11.30%07%0.07CC..Hα-helixtrans-62.1-45.7176.8-166.2172.8000111.3P196 S317 C318 A319 I323 L324 R325 I331 Q350 L351 Y353P196-H321 HydrophobicContact CG-CB 3.95Å; S317-H321 VanDerWaalsContact O-CB 3.23Å; S317-H321 WeakPolarHBondContact O-CB 3.44Å; S317-H321 PolarHBondContact O-N 3.2Å; C318-H321 PolarHBondContact O-N 2.81Å; A319-H321 VanDerWaalsContact C-N 3.32Å; A319-H321 PolarHBondContact O-N 3.49Å; H321-I323 VanDerWaalsContact C-N 3.31Å; H321-I323 PolarHBondContact O-N 3.19Å; H321-L324 PolarHBondContact O-N 3.47Å; H321-R325 WeakPolarHBondContact O-CG 3.14Å; H321-R325 PolarHBondContact O-N 3.21Å; H321-I331 HydrophobicContact CB-CB 4.25Å; H321-I331 HydrophobicContact CB-CD1 3.75Å; H321-I331 HydrophobicContact CB-CG1 3.78Å; H321-I331 PolarHBondContact CD2-N 3.3Å; H321-I331 PolarHBondContact CE1-O 3.2Å; H321-I331 PolarHBondContact NE2-N 3.18Å; H321-I331 VanDerWaalsContact NE2-N 3.15Å; H321-Q350 PolarHBondContact NE2-OE1 3.43Å; H321-L351 PolarHBondContact CE1-O 2.89Å; H321-Y353 HydrophobicContact CB-CE2 4.39Å; H321-Y353 VanDerWaalsContact CB-OH 3.3Å; H321-Y353 WeakPolarHBondContact CB-OH 3.27Å; H321-Y353 AromaticContact ND1-CE2 3.41Å; H321-Y353 WeakPolarHBondContact ND1-CE2 3.34Å; H321-Y353 AromaticContact ND1-CZ 3.61Å; H321-Y353 PolarHBondContact ND1-OH 3.41Å
322A98.6Very high98.1Very high0 Ų010.1 Ų10.10%06%0.063CC..Hα-helixtrans-57.6-43.3175.900000112.4P196 M198 C318 A319 R325 A326P196-A322 HydrophobicContact CB-CB 4.04Å; M198-A322 VanDerWaalsContact O-CB 3.22Å; M198-A322 WeakPolarHBondContact O-CB 3.35Å; C318-A322 PolarHBondContact O-N 3.17Å; A319-A322 PolarHBondContact O-N 3.36Å; A322-R325 PolarHBondContact O-N 2.6Å; A322-A326 PolarHBondContact O-N 3.42Å; A322-A326 VanDerWaalsContact O-N 3.17Å
323I98.6Very high98.2Very high1 Ų110.9 Ų10.91%0.0057%0.067CC..Hα-helixtrans-64.8-45.4177.7-58.1175000110.8I201 V298 A319 A320 H321 R325 A326 M327I201-I323 HydrophobicContact CB-CD1 4.35Å; I201-I323 HydrophobicContact CD1-CD1 3.86Å; I201-I323 HydrophobicContact CG1-CD1 3.74Å; V298-I323 HydrophobicContact CG1-CG2 3.65Å; V298-I323 HydrophobicContact CG2-CB 4.34Å; V298-I323 HydrophobicContact CG2-CG2 4.1Å; A319-I323 WeakPolarHBondContact O-CG1 3.16Å; A319-I323 PolarHBondContact O-N 3.37Å; A320-I323 PolarHBondContact O-N 2.85Å; H321-I323 VanDerWaalsContact C-N 3.31Å; H321-I323 PolarHBondContact O-N 3.19Å; I323-R325 VanDerWaalsContact C-N 3.31Å; I323-R325 PolarHBondContact O-N 3.03Å; I323-A326 WeakPolarHBondContact O-CB 3.24Å; I323-A326 PolarHBondContact O-N 3.04Å; I323-M327 WeakPolarHBondContact O-CG 3.5Å; I323-M327 PolarHBondContact O-N 3.1Å
324L98.6Very high98.1Very high0 Ų010.9 Ų10.90%07%0.067CC..Hα-helixtrans-62.5-37.6178.1-72.3169000112V297 V298 A320 H321 M327 G328 G329 I331 A374 R376V297-L324 HydrophobicContact CB-CD2 4.42Å; V297-L324 HydrophobicContact CG1-CD2 3.86Å; V298-L324 HydrophobicContact CB-CD2 4.45Å; V298-L324 HydrophobicContact CG2-CD1 4.46Å; V298-L324 HydrophobicContact CG2-CD2 3.66Å; V298-L324 HydrophobicContact CG2-CG 3.72Å; A320-L324 WeakPolarHBondContact O-CB 3.44Å; A320-L324 VanDerWaalsContact O-CG 3.32Å; A320-L324 WeakPolarHBondContact O-CG 3.27Å; A320-L324 PolarHBondContact O-N 2.86Å; H321-L324 PolarHBondContact O-N 3.47Å; L324-M327 CarbonylContact O-C 3.52Å; L324-M327 WeakPolarHBondContact O-CA 3.46Å; L324-M327 WeakPolarHBondContact O-CB 3.37Å; L324-M327 PolarHBondContact O-N 3.43Å; L324-G328 PolarHBondContact O-N 2.87Å; L324-G329 CarbonylContact O-C 3.6Å; L324-G329 VanDerWaalsContact O-CA 3.31Å; L324-G329 WeakPolarHBondContact O-CA 3.5Å; L324-G329 PolarHBondContact O-N 2.93Å; L324-I331 HydrophobicContact CD1-CD1 4.29Å; L324-I331 HydrophobicContact CD1-CG1 3.88Å; L324-A374 HydrophobicContact CD1-CB 3.85Å; L324-R376 HydrophobicContact CD2-CB 4.4Å
325R98Very high98Very high69 Ų6915.5 Ų15.526%0.269%0.087SC..Hα-helixtrans-61.6-43.8174.8-75.8173.165.571.87.5112.4V195 P196 H321 A322 I323 M327 G328V195-R325 VanDerWaalsContact CG1-CZ 3.48Å; V195-R325 VanDerWaalsContact CG1-NH2 3.35Å; P196-R325 WeakPolarHBondContact O-CD 3.47Å; P196-R325 PolarHBondContact O-NE 2.73Å; H321-R325 WeakPolarHBondContact O-CG 3.14Å; H321-R325 PolarHBondContact O-N 3.21Å; A322-R325 PolarHBondContact O-N 2.6Å; I323-R325 VanDerWaalsContact C-N 3.31Å; I323-R325 PolarHBondContact O-N 3.03Å; R325-M327 PolarHBondContact O-N 3.15Å; R325-M327 VanDerWaalsContact O-N 3.08Å; R325-G328 PolarHBondContact O-N 2.83Å
326A96.9Very high97.8Very high9 Ų920.3 Ų20.37%0.07411%0.11CC..Hα-helixtrans-60.4-19.4174.500000112.8L223 N229 M230 A322 I323L223-A326 WeakPolarHBondContact O-CB 3.4Å; N229-A326 WeakPolarHBondContact CB-O 3.43Å; M230-A326 VanDerWaalsContact O-CB 3.25Å; M230-A326 WeakPolarHBondContact O-CB 3.09Å; A322-A326 PolarHBondContact O-N 3.42Å; A322-A326 VanDerWaalsContact O-N 3.17Å; I323-A326 WeakPolarHBondContact O-CB 3.24Å; I323-A326 PolarHBondContact O-N 3.04Å
327M96.5Very high97.5Very high28 Ų2819.9 Ų19.914%0.13811%0.108CC..THydrogen-bonded Turntrans-95.50.8175.4-63.1-176.9142.600114.4H231 L233 V298 I323 L324 R325 R376H231-M327 VanDerWaalsContact CD2-CG 3.47Å; H231-M327 WeakPolarHBondContact CD2-CG 3.48Å; L233-M327 HydrophobicContact CB-CE 3.69Å; L233-M327 HydrophobicContact CD1-CE 3.68Å; L233-M327 HydrophobicContact CG-CE 4.31Å; V298-M327 HydrophobicContact CG1-SD 4.49Å; I323-M327 WeakPolarHBondContact O-CG 3.5Å; I323-M327 PolarHBondContact O-N 3.1Å; L324-M327 CarbonylContact O-C 3.52Å; L324-M327 WeakPolarHBondContact O-CA 3.46Å; L324-M327 WeakPolarHBondContact O-CB 3.37Å; L324-M327 PolarHBondContact O-N 3.43Å; R325-M327 PolarHBondContact O-N 3.15Å; R325-M327 VanDerWaalsContact O-N 3.08Å; M327-R376 HydrophobicContact CB-CG 4.03Å; M327-R376 HydrophobicContact SD-CG 4.18Å; M327-R376 PolarHBondContact SD-NE 3.26Å; M327-R376 VanDerWaalsContact SD-NE 3.4Å
328G95.6Very high97.2Very high53 Ų5322.7 Ų22.755%0.54612%0.123SC..THydrogen-bonded Turntrans83.211.8-17400000114.8L324 R325 R376L324-G328 PolarHBondContact O-N 2.87Å; R325-G328 PolarHBondContact O-N 2.83Å; G328-R376 CarbonylContact C-O 3.49Å
329G97.6Very high96.8Very high7 Ų729.2 Ų29.27%0.07215%0.153CC..  trans-102.9-155.5173.600000112.8L324 Y375 R376L324-G329 CarbonylContact O-C 3.6Å; L324-G329 VanDerWaalsContact O-CA 3.31Å; L324-G329 WeakPolarHBondContact O-CA 3.5Å; L324-G329 PolarHBondContact O-N 2.93Å; G329-Y375 CarbonylContact C-O 3.58Å; G329-Y375 VanDerWaalsContact CA-O 3.23Å; G329-Y375 WeakPolarHBondContact CA-O 3.17Å; G329-R376 WeakPolarHBondContact CA-O 3.34Å; G329-R376 PolarHBondContact N-O 2.9Å
330G98.4Very high96.1Very high0 Ų031.5 Ų31.50%016%0.161CC..EExtended strand (participates in β ladder)trans176.5-169.8176.800000112.9Y375G330-Y375 VanDerWaalsContact C-CE1 3.47Å; G330-Y375 PolarHBondContact N-O 3.03Å; G330-Y375 WeakPolarHBondContact O-CD1 3.19Å; G330-Y375 WeakPolarHBondContact O-CE1 3.39Å; G330-Y375 PolarHBondContact O-N 2.73Å
331I98.8Very high94.9Very high0 Ų035.2 Ų35.20%018%0.181CC..EExtended strand (participates in β ladder)trans-128.6121.6168.9-52.9-171.3000107.6A320 H321 L324 Q350 L351 L372 I373 A374A320-I331 HydrophobicContact CB-CD1 4.42Å; H321-I331 HydrophobicContact CB-CB 4.25Å; H321-I331 HydrophobicContact CB-CD1 3.75Å; H321-I331 HydrophobicContact CB-CG1 3.78Å; H321-I331 PolarHBondContact CD2-N 3.3Å; H321-I331 PolarHBondContact CE1-O 3.2Å; H321-I331 PolarHBondContact NE2-N 3.18Å; H321-I331 VanDerWaalsContact NE2-N 3.15Å; L324-I331 HydrophobicContact CD1-CD1 4.29Å; L324-I331 HydrophobicContact CD1-CG1 3.88Å; I331-Q350 PolarHBondContact O-OE1 2.82Å; I331-L351 HydrophobicContact CB-CD1 4.2Å; I331-L351 HydrophobicContact CB-CG 4.48Å; I331-L351 HydrophobicContact CG2-CD1 3.5Å; I331-L351 HydrophobicContact CG2-CG 4.05Å; I331-L351 PolarHBondContact O-N 3.25Å; I331-L372 HydrophobicContact CG2-CB 3.82Å; I331-L372 HydrophobicContact CG2-CD1 4.23Å; I331-L372 HydrophobicContact CG2-CD2 4.28Å; I331-L372 HydrophobicContact CG2-CG 4.33Å; I331-I373 WeakPolarHBondContact CA-O 3.42Å; I331-A374 HydrophobicContact CD1-CB 3.99Å; I331-A374 HydrophobicContact CG1-CB 3.74Å; I331-A374 HydrophobicContact CG2-CB 4.39Å
332V98.3Very high93.4Very high0 Ų040.5 Ų40.50%022%0.216CC..EExtended strand (participates in β ladder)trans-111.5153.6-177.2-67.70000111.3L334 C337 L348 P349 L372 I373 Y375 L381V332-L334 PolarHBondContact O-N 3.41Å; V332-C337 VanDerWaalsContact CG2-SG 3.55Å; V332-L348 HydrophobicContact CG1-CB 3.79Å; V332-L348 HydrophobicContact CG1-CD2 4.48Å; V332-P349 CarbonylContact C-O 3.53Å; V332-P349 WeakPolarHBondContact CA-O 3.49Å; V332-P349 WeakPolarHBondContact CB-O 3.31Å; V332-L372 CarbonylContact O-C 3.57Å; V332-L372 VanDerWaalsContact O-CA 3.27Å; V332-L372 WeakPolarHBondContact O-CA 3.28Å; V332-I373 HydrophobicContact CG2-CB 3.85Å; V332-I373 WeakPolarHBondContact CG2-O 3.47Å; V332-I373 PolarHBondContact N-O 3.4Å; V332-I373 PolarHBondContact O-N 3.2Å; V332-Y375 HydrophobicContact CG1-CE1 3.71Å; V332-Y375 HydrophobicContact CG2-CD1 4.47Å; V332-Y375 HydrophobicContact CG2-CE1 4.21Å; V332-L381 HydrophobicContact CG2-CD2 3.95Å
333D97.8Very high91.6Very high22 Ų2249 Ų4912%0.11826%0.256CS..EExtended strand (participates in β ladder)trans-65.8122.8170.3-174.6-57.8000109.7K335 E336 C337 P349 L351D333-K335 WeakPolarHBondContact OD1-CA 3.3Å; D333-K335 WeakPolarHBondContact OD1-CB 3.47Å; D333-K335 PolarHBondContact OD1-N 3.34Å; D333-E336 HydrophobicContact CB-CB 4.03Å; D333-E336 HydrophobicContact CB-CG 4.15Å; D333-E336 PolarHBondContact OD1-N 2.78Å; D333-C337 WeakPolarHBondContact O-CB 3.35Å; D333-C337 PolarHBondContact O-N 2.81Å; D333-C337 VanDerWaalsContact O-N 3.13Å; D333-C337 PolarHBondContact O-SG 3.24Å; D333-P349 HydrophobicContact CB-CB 4.43Å; D333-P349 PolarHBondContact N-O 3.31Å; D333-L351 HydrophobicContact CB-CD2 4.2Å
334L96.9Very high89.8Confident4 Ų454.3 Ų54.32%0.02129%0.288CS..Hα-helixtrans-66.2-47.2-177.9167.466.9000111.1I306 V332 C337 L338 G370 G371 I373I306-L334 HydrophobicContact CD1-CD1 3.8Å; I306-L334 HydrophobicContact CD1-CD2 4.21Å; I306-L334 HydrophobicContact CG1-CD1 4.27Å; I306-L334 HydrophobicContact CG1-CD2 4.13Å; V332-L334 PolarHBondContact O-N 3.41Å; L334-C337 WeakPolarHBondContact O-CB 3.22Å; L334-C337 PolarHBondContact O-N 3.09Å; L334-L338 HydrophobicContact CD1-CD1 3.93Å; L334-L338 HydrophobicContact CD1-CG 4.06Å; L334-L338 HydrophobicContact CG-CD1 4.1Å; L334-L338 WeakPolarHBondContact O-CG 3.33Å; L334-L338 PolarHBondContact O-N 3.03Å; L334-G370 WeakPolarHBondContact CB-O 3.31Å; L334-G371 PolarHBondContact N-O 3.33Å; L334-G371 VanDerWaalsContact N-O 3.15Å; L334-I373 HydrophobicContact CB-CG1 4.23Å; L334-I373 HydrophobicContact CD1-CD1 3.51Å; L334-I373 HydrophobicContact CD1-CG1 3.77Å
335K95.4Very high88Confident110 Ų11055.6 Ų55.648%0.47830%0.301SS..Hα-helixtrans-64.3-48.2-175.5-179-177.2173.2-173.10110.7D333 C337 L338 E339 G370D333-K335 WeakPolarHBondContact OD1-CA 3.3Å; D333-K335 WeakPolarHBondContact OD1-CB 3.47Å; D333-K335 PolarHBondContact OD1-N 3.34Å; K335-C337 VanDerWaalsContact C-N 3.25Å; K335-C337 PolarHBondContact O-N 2.98Å; K335-L338 PolarHBondContact O-N 3.32Å; K335-L338 VanDerWaalsContact O-N 3.07Å; K335-E339 WeakPolarHBondContact CE-OE1 3.41Å; K335-E339 IonicContact NZ-OE1 3.93Å; K335-E339 WeakPolarHBondContact O-CG 3.45Å; K335-E339 PolarHBondContact O-N 3.41Å; K335-G370 PolarHBondContact N-O 3.37Å
336E94.4Very high86.4Confident108 Ų10859.7 Ų59.751%0.50533%0.327SS..Hα-helixtrans-60.7-37.3176.5-68.2-171-157.600111.3D333 L338 E339 R340 P349D333-E336 HydrophobicContact CB-CB 4.03Å; D333-E336 HydrophobicContact CB-CG 4.15Å; D333-E336 PolarHBondContact OD1-N 2.78Å; E336-L338 VanDerWaalsContact C-N 3.33Å; E336-L338 PolarHBondContact O-N 2.99Å; E336-E339 PolarHBondContact O-N 2.99Å; E336-R340 VanDerWaalsContact O-CB 3.25Å; E336-R340 WeakPolarHBondContact O-CB 3.45Å; E336-R340 PolarHBondContact O-N 2.99Å; E336-P349 HydrophobicContact CB-CB 3.77Å; E336-P349 HydrophobicContact CB-CG 3.7Å; E336-P349 HydrophobicContact CG-CB 4.49Å; E336-P349 WeakPolarHBondContact OE2-CB 3.45Å
337C93.7Very high85.7Confident6 Ų665.1 Ų65.14%0.04136%0.355CS..Hα-helixtrans-62.6-37.6174.4-76.40000113.2V332 D333 L334 K335 P349 L385V332-C337 VanDerWaalsContact CG2-SG 3.55Å; D333-C337 WeakPolarHBondContact O-CB 3.35Å; D333-C337 PolarHBondContact O-N 2.81Å; D333-C337 VanDerWaalsContact O-N 3.13Å; D333-C337 PolarHBondContact O-SG 3.24Å; L334-C337 WeakPolarHBondContact O-CB 3.22Å; L334-C337 PolarHBondContact O-N 3.09Å; K335-C337 VanDerWaalsContact C-N 3.25Å; K335-C337 PolarHBondContact O-N 2.98Å; C337-P349 VanDerWaalsContact SG-CG 3.51Å; C337-L385 HydrophobicContact CB-CD1 4.13Å; C337-L385 HydrophobicContact CB-CD2 3.98Å
338L91.6Very high85.4Confident60 Ų6064.3 Ų64.331%0.31435%0.351SS..Hα-helixtrans-74.8-30.7179.4-66.6175.8000112.4L334 K335 E336 L388 V389 L392L334-L338 HydrophobicContact CD1-CD1 3.93Å; L334-L338 HydrophobicContact CD1-CG 4.06Å; L334-L338 HydrophobicContact CG-CD1 4.1Å; L334-L338 WeakPolarHBondContact O-CG 3.33Å; L334-L338 PolarHBondContact O-N 3.03Å; K335-L338 PolarHBondContact O-N 3.32Å; K335-L338 VanDerWaalsContact O-N 3.07Å; E336-L338 VanDerWaalsContact C-N 3.33Å; E336-L338 PolarHBondContact O-N 2.99Å; L338-L388 HydrophobicContact CD2-CD2 4.37Å; L338-V389 HydrophobicContact CD2-CG2 3.76Å; L338-L392 HydrophobicContact CD1-CD1 4.22Å; L338-L392 HydrophobicContact CD2-CD1 3.84Å
339E90Very high85.4Confident136 Ų13662.8 Ų62.864%0.63633%0.332SS*.Hα-helixtrans-87.2-14.6178.5-67.3174.3175.200112.9K335 E336K335-E339 WeakPolarHBondContact CE-OE1 3.41Å; K335-E339 IonicContact NZ-OE1 3.93Å; K335-E339 WeakPolarHBondContact O-CG 3.45Å; K335-E339 PolarHBondContact O-N 3.41Å; E336-E339 PolarHBondContact O-N 2.99Å
340R85.1Confident85.4Confident48 Ų4865.2 Ų65.218%0.18134%0.341CS..  trans-65.2132-177.2-177.5-178.963.1155.14.6112.1E336 P342 E382E336-R340 VanDerWaalsContact O-CB 3.25Å; E336-R340 WeakPolarHBondContact O-CB 3.45Å; E336-R340 PolarHBondContact O-N 2.99Å; R340-P342 WeakPolarHBondContact O-CD 3.37Å; R340-E382 IonicContact CZ-OE1 3.04Å; R340-E382 IonicContact CZ-OE2 3.79Å; R340-E382 IonicContact NH1-OE1 3.85Å; R340-E382 PolarHBondContact NH1-OE1 3.2Å; R340-E382 IonicContact NH1-OE2 3.42Å; R340-E382 IonicContact NH2-OE1 3.41Å; R340-E382 PolarHBondContact NH2-OE1 2.87Å; R340-E382 IonicContact NH2-OE2 3.7Å; R340-E382 PolarHBondContact NH2-OE2 3.38Å
341N73.4Confident85.4Confident78 Ų7865.8 Ų65.842%0.41734%0.344SS..  trans-79.7119165.5-175.8-16.1000110.5E343 T344 G345N341-E343 PolarHBondContact O-N 3.4Å; N341-E343 VanDerWaalsContact O-N 3.15Å; N341-E343 WeakPolarHBondContact OD1-CB 3.23Å; N341-E343 PolarHBondContact OD1-N 2.85Å; N341-T344 PolarHBondContact O-N 2.92Å; N341-G345 PolarHBondContact O-N 2.87Å
342P66.5Low85.4Confident111 Ų11168.1 Ų68.172%0.72136%0.358SS*.THydrogen-bonded Turntrans-59.9-22.2179.3-22.433.3000114.7R340R340-P342 WeakPolarHBondContact O-CD 3.37Å
343E62.2Low85.4Confident180 Ų18068.1 Ų68.184%0.84136%0.358SS*.THydrogen-bonded Turntrans-85.6-20.8-176.2-60.8-170.2164.200113.7N341N341-E343 PolarHBondContact O-N 3.4Å; N341-E343 VanDerWaalsContact O-N 3.15Å; N341-E343 WeakPolarHBondContact OD1-CB 3.23Å; N341-E343 PolarHBondContact OD1-N 2.85Å
344T60.4Low85.4Confident112 Ų11270.4 Ų70.469%0.68737%0.368SS*.THydrogen-bonded Turntrans-117.6-19-174.458.50000114.1N341N341-T344 PolarHBondContact O-N 2.92Å
345G60Low85.3Confident27 Ų2773.4 Ų73.428%0.27839%0.387SS..  trans-9796.7-18000000112.7N341N341-G345 PolarHBondContact O-N 2.87Å
346L64.6Low85.3Confident154 Ų15471.9 Ų71.981%0.80638%0.381SS*.  trans-70.7-28.4178.4-87152.3000113.4R378L346-R378 PolarHBondContact O-NH2 3.23Å
347D83.3Confident85.4Confident123 Ų12368.1 Ų68.166%0.65837%0.365SS*.SBendtrans-114.5146-177.2-72.8-38.2000112.7R378D347-R378 IonicContact OD1-NH1 2.6Å
348L90.4Very high85.3Confident11 Ų1176.5 Ų76.56%0.05840%0.403CS..  trans-75.7139.9174.8-79163.6000109.5V332 Q350 Y375 R378 L381 L385V332-L348 HydrophobicContact CG1-CB 3.79Å; V332-L348 HydrophobicContact CG1-CD2 4.48Å; L348-Q350 VanDerWaalsContact C-N 3.29Å; L348-Q350 PolarHBondContact O-N 3.35Å; L348-Y375 WeakPolarHBondContact CD1-OH 2.88Å; L348-R378 HydrophobicContact CD1-CG 3.77Å; L348-L381 HydrophobicContact CD1-CD2 3.78Å; L348-L381 HydrophobicContact CD2-CD2 3.87Å; L348-L381 HydrophobicContact CG-CD2 4.49Å; L348-L385 HydrophobicContact CD2-CD1 4.35Å
349P94.8Very high85.2Confident21 Ų2178 Ų7814%0.13643%0.433CS..  trans-74.281-17931.4-35.1000110.5V332 D333 E336 C337V332-P349 CarbonylContact C-O 3.53Å; V332-P349 WeakPolarHBondContact CA-O 3.49Å; V332-P349 WeakPolarHBondContact CB-O 3.31Å; D333-P349 HydrophobicContact CB-CB 4.43Å; D333-P349 PolarHBondContact N-O 3.31Å; E336-P349 HydrophobicContact CB-CB 3.77Å; E336-P349 HydrophobicContact CB-CG 3.7Å; E336-P349 HydrophobicContact CG-CB 4.49Å; E336-P349 WeakPolarHBondContact OE2-CB 3.45Å; C337-P349 VanDerWaalsContact SG-CG 3.51Å
350Q97.3Very high85.3Confident59 Ų5972.6 Ų72.628%0.27641%0.412SS..BIsolated β-bridgetrans-67.7142.3179.2-61.7-73.7-15.600110.5H321 I331 L348 V352 Y375H321-Q350 PolarHBondContact NE2-OE1 3.43Å; I331-Q350 PolarHBondContact O-OE1 2.82Å; L348-Q350 VanDerWaalsContact C-N 3.29Å; L348-Q350 PolarHBondContact O-N 3.35Å; Q350-V352 PolarHBondContact O-N 2.81Å; Q350-Y375 PolarHBondContact NE2-OH 3.3Å
351L98.4Very high85.5Confident11 Ų1173.9 Ų73.96%0.05843%0.433CS..  trans-62.1138.6171.5-62.7-174.6000111H321 I331 D333 Y353 N368 L372H321-L351 PolarHBondContact CE1-O 2.89Å; I331-L351 HydrophobicContact CB-CD1 4.2Å; I331-L351 HydrophobicContact CB-CG 4.48Å; I331-L351 HydrophobicContact CG2-CD1 3.5Å; I331-L351 HydrophobicContact CG2-CG 4.05Å; I331-L351 PolarHBondContact O-N 3.25Å; D333-L351 HydrophobicContact CB-CD2 4.2Å; L351-Y353 HydrophobicContact CB-CE2 4.33Å; L351-Y353 WeakPolarHBondContact O-CE2 3.47Å; L351-N368 HydrophobicContact CD1-CB 4.38Å; L351-L372 HydrophobicContact CD1-CB 4.22Å; L351-L372 HydrophobicContact CD1-CD2 4.3Å
352V98.3Very high86.2Confident49 Ų4972.1 Ų72.130%0.29743%0.433SS..  trans-115.2153.8172.6-67.10000111.1G194 K314 Q350 V355G194-V352 WeakPolarHBondContact O-CA 3.42Å; K314-V352 WeakPolarHBondContact CE-O 3.24Å; K314-V352 PolarHBondContact NZ-O 3.02Å; Q350-V352 PolarHBondContact O-N 2.81Å; V352-V355 HydrophobicContact CG2-CG2 3.58Å
353Y98.5Very high87.3Confident0 Ų067.8 Ų67.80%041%0.405CS..SBendtrans-119.1-4.3-166.4-63-83.2000115.3W151 G194 P196 K314 S317 C318 H321 L351W151-Y353 PolarHBondContact NE1-O 3.12Å; W151-Y353 VanDerWaalsContact NE1-O 3.12Å; G194-Y353 WeakPolarHBondContact O-CD2 3.46Å; G194-Y353 PolarHBondContact O-N 3.45Å; P196-Y353 HydrophobicContact CB-CD2 4.07Å; P196-Y353 HydrophobicContact CB-CE2 3.95Å; P196-Y353 HydrophobicContact CG-CD2 4.01Å; P196-Y353 HydrophobicContact CG-CE2 3.58Å; K314-Y353 HydrophobicContact CB-CD1 3.93Å; K314-Y353 HydrophobicContact CB-CE1 4.5Å; K314-Y353 HydrophobicContact CD-CD1 3.84Å; K314-Y353 HydrophobicContact CD-CE1 4.25Å; K314-Y353 HydrophobicContact CG-CD1 4.26Å; S317-Y353 WeakPolarHBondContact OG-CE1 3.48Å; S317-Y353 PolarHBondContact OG-OH 2.86Å; C318-Y353 HydrophobicContact CB-CD1 3.57Å; C318-Y353 HydrophobicContact CB-CE1 3.48Å; C318-Y353 VanDerWaalsContact CB-CE1 3.48Å; C318-Y353 HydrophobicContact CB-CG 4.21Å; H321-Y353 HydrophobicContact CB-CE2 4.39Å; H321-Y353 VanDerWaalsContact CB-OH 3.3Å; H321-Y353 WeakPolarHBondContact CB-OH 3.27Å; H321-Y353 AromaticContact ND1-CE2 3.41Å; H321-Y353 WeakPolarHBondContact ND1-CE2 3.34Å; H321-Y353 AromaticContact ND1-CZ 3.61Å; H321-Y353 PolarHBondContact ND1-OH 3.41Å; L351-Y353 HydrophobicContact CB-CE2 4.33Å; L351-Y353 WeakPolarHBondContact O-CE2 3.47Å
354H97.4Very high88.7Confident70 Ų7060.8 Ų60.832%0.32437%0.373SS..SBendtrans-93.5-14.1-178.969-39.6000115.6Y189 G194Y189-H354 HydrophobicContact CD2-CB 4.41Å; Y189-H354 HydrophobicContact CE2-CB 3.89Å; G194-H354 VanDerWaalsContact CA-CG 3.45Å; G194-H354 VanDerWaalsContact CA-ND1 3.26Å; G194-H354 WeakPolarHBondContact CA-ND1 3.47Å
355V96Very high90.4Very high68 Ų6860 Ų6041%0.41236%0.357SS..  trans-112.1137.5-173.9-71.50000110.9V352V352-V355 HydrophobicContact CG2-CG2 3.58Å
356E95.7Very high92.2Very high77 Ų7761.6 Ų61.636%0.3636%0.355SS..  trans-87.5158.117064.9-174.9-130.700111.6E358 R365 W366E356-E358 PolarHBondContact O-N 3.15Å; E356-R365 CarbonylContact C-O 3.43Å; E356-R365 WeakPolarHBondContact CA-O 3.42Å; E356-R365 HydrophobicContact CB-CB 4.22Å; E356-R365 WeakPolarHBondContact CB-O 3.48Å; E356-R365 IonicContact OE1-CZ 2.85Å; E356-R365 IonicContact OE1-NE 2.78Å; E356-R365 PolarHBondContact OE1-NE 2.94Å; E356-R365 IonicContact OE1-NH2 3.87Å; E356-R365 PolarHBondContact OE1-NH2 2.86Å; E356-R365 IonicContact OE2-CZ 3.82Å; E356-R365 IonicContact OE2-NE 3.88Å; E356-R365 PolarHBondContact OE2-NE 2.99Å; E356-R365 IonicContact OE2-NH2 3.11Å; E356-R365 PolarHBondContact OE2-NH2 2.88Å; E356-W366 HydrophobicContact CB-CE3 4.14Å; E356-W366 HydrophobicContact CB-CH2 3.91Å; E356-W366 HydrophobicContact CB-CZ2 4.36Å; E356-W366 HydrophobicContact CB-CZ3 3.78Å
357N94.8Very high93.7Very high30 Ų3054.3 Ų54.316%0.1632%0.317CS..  trans-73.5112.5171.7-66.9-47.5000110.3G359 A360 D364 R365 A367 K369N357-G359 PolarHBondContact O-N 3.38Å; N357-A360 HydrophobicContact CB-CB 3.93Å; N357-A360 WeakPolarHBondContact O-CB 3.25Å; N357-A360 PolarHBondContact O-N 2.99Å; N357-D364 PolarHBondContact ND2-O 2.95Å; N357-R365 PolarHBondContact N-O 3.32Å; N357-A367 PolarHBondContact ND2-N 3.32Å; N357-A367 PolarHBondContact ND2-O 3.34Å; N357-K369 HydrophobicContact CB-CD 4.16Å
358E92.4Very high94.4Very high181 Ų18148.6 Ų48.685%0.84629%0.286SS*.THydrogen-bonded Turntrans-54.5135.8176.6-66.7-172.6173.100111.8E356 A360E356-E358 PolarHBondContact O-N 3.15Å; E358-A360 PolarHBondContact O-N 2.93Å
359G90.5Very high94.6Very high91 Ų9152.2 Ų52.294%0.93830%0.302SS*.THydrogen-bonded Turntrans72.8-0.5178.700000115.7N357N357-G359 PolarHBondContact O-N 3.38Å
360A91.9Very high94.6Very high23 Ų2352 Ų5219%0.1930%0.303CS..  trans-81.7155.5171.100000111.4N357 E358 D364 R365N357-A360 HydrophobicContact CB-CB 3.93Å; N357-A360 WeakPolarHBondContact O-CB 3.25Å; N357-A360 PolarHBondContact O-N 2.99Å; E358-A360 PolarHBondContact O-N 2.93Å; A360-D364 HydrophobicContact CB-CB 4.06Å; A360-R365 HydrophobicContact CB-CG 4.28Å; A360-R365 VanDerWaalsContact O-CG 3.28Å; A360-R365 WeakPolarHBondContact O-CG 3.33Å
361A88.9Confident94.5Very high75 Ų7549.1 Ų49.162%0.6229%0.29SS*.  trans-122.9158.3178.800000110.7D364A361-D364 PolarHBondContact O-N 3.33Å
362G88.8Confident94.5Very high41 Ų4148.8 Ų48.842%0.42329%0.288SS..G310 helixtrans58-141.1-179.800000112.8D364 R365G362-D364 VanDerWaalsContact C-N 3.25Å; G362-D364 PolarHBondContact O-N 3.13Å; G362-R365 WeakPolarHBondContact O-CB 3.25Å; G362-R365 WeakPolarHBondContact O-CG 3.42Å; G362-R365 PolarHBondContact O-N 3.07Å
363V88.8Confident94.6Very high21 Ų2146.4 Ų46.413%0.12727%0.274CS..G310 helixtrans-63.8-26179.6-66.80000113.7E39 F313 W315 R365 W366E39-V363 PolarHBondContact O-N 3.24Å; F313-V363 WeakPolarHBondContact CD1-O 3.48Å; F313-V363 HydrophobicContact CE1-CB 3.96Å; F313-V363 HydrophobicContact CE1-CG2 4.01Å; F313-V363 VanDerWaalsContact CE1-O 3.3Å; F313-V363 WeakPolarHBondContact CE1-O 3.49Å; F313-V363 HydrophobicContact CZ-CB 4.36Å; F313-V363 HydrophobicContact CZ-CG2 4.05Å; W315-V363 HydrophobicContact CH2-CB 4.12Å; W315-V363 HydrophobicContact CH2-CG1 4.21Å; W315-V363 HydrophobicContact CZ2-CB 4.46Å; V363-R365 PolarHBondContact O-N 2.72Å; V363-W366 PolarHBondContact O-N 3.04Å
364D92.3Very high94.6Very high33 Ų3346.4 Ų46.418%0.17627%0.274CS..G310 helixtrans-64.4-16.9-178.7-65.8-31.9000113.5K43 N357 A360 A361 G362 W366 A367K43-D364 WeakPolarHBondContact CE-OD2 3.4Å; K43-D364 IonicContact NZ-OD2 2.73Å; K43-D364 PolarHBondContact NZ-OD2 3.44Å; N357-D364 PolarHBondContact ND2-O 2.95Å; A360-D364 HydrophobicContact CB-CB 4.06Å; A361-D364 PolarHBondContact O-N 3.33Å; G362-D364 VanDerWaalsContact C-N 3.25Å; G362-D364 PolarHBondContact O-N 3.13Å; D364-W366 PolarHBondContact O-N 3.27Å; D364-A367 WeakPolarHBondContact O-CB 3.24Å; D364-A367 PolarHBondContact O-N 3.18Å
365R95.2Very high94.6Very high94 Ų9443.3 Ų43.336%0.35526%0.259SS..G310 helixtrans-54.8-29.5169.1-68.8177.475.8-170.57.6111.7E356 N357 A360 G362 V363E356-R365 CarbonylContact C-O 3.43Å; E356-R365 WeakPolarHBondContact CA-O 3.42Å; E356-R365 HydrophobicContact CB-CB 4.22Å; E356-R365 WeakPolarHBondContact CB-O 3.48Å; E356-R365 IonicContact OE1-CZ 2.85Å; E356-R365 IonicContact OE1-NE 2.78Å; E356-R365 PolarHBondContact OE1-NE 2.94Å; E356-R365 IonicContact OE1-NH2 3.87Å; E356-R365 PolarHBondContact OE1-NH2 2.86Å; E356-R365 IonicContact OE2-CZ 3.82Å; E356-R365 IonicContact OE2-NE 3.88Å; E356-R365 PolarHBondContact OE2-NE 2.99Å; E356-R365 IonicContact OE2-NH2 3.11Å; E356-R365 PolarHBondContact OE2-NH2 2.88Å; N357-R365 PolarHBondContact N-O 3.32Å; A360-R365 HydrophobicContact CB-CG 4.28Å; A360-R365 VanDerWaalsContact O-CG 3.28Å; A360-R365 WeakPolarHBondContact O-CG 3.33Å; G362-R365 WeakPolarHBondContact O-CB 3.25Å; G362-R365 WeakPolarHBondContact O-CG 3.42Å; G362-R365 PolarHBondContact O-N 3.07Å; V363-R365 PolarHBondContact O-N 2.72Å
366W96.9Very high94.6Very high61 Ų6143.6 Ų43.623%0.23125%0.253CS..G310 helixtrans-11110-175.4-54.8116.8000113.3W151 F313 K314 W315 E356 V363 D364W151-W366 HydrophobicContact CH2-CB 4.39Å; W151-W366 AromaticContact CH2-CD1 3.98Å; W151-W366 AromaticContact CH2-CD2 3.62Å; W151-W366 HydrophobicContact CH2-CD2 3.62Å; W151-W366 AromaticContact CH2-CE2 3.81Å; W151-W366 HydrophobicContact CH2-CE3 4.07Å; W151-W366 AromaticContact CH2-CG 3.75Å; W151-W366 HydrophobicContact CH2-CG 3.75Å; W151-W366 HydrophobicContact CH2-CZ2 4.39Å; W151-W366 AromaticContact CH2-NE1 3.99Å; W151-W366 AromaticContact CZ2-CD2 3.76Å; W151-W366 HydrophobicContact CZ2-CD2 3.76Å; W151-W366 AromaticContact CZ2-CE3 3.69Å; W151-W366 HydrophobicContact CZ2-CE3 3.69Å; W151-W366 HydrophobicContact CZ2-CG 4.23Å; W151-W366 HydrophobicContact CZ2-CH2 4.46Å; W151-W366 HydrophobicContact CZ2-CZ3 4.06Å; F313-W366 CarbonylContact C-O 3.55Å; F313-W366 VanDerWaalsContact CA-O 3.32Å; F313-W366 WeakPolarHBondContact CA-O 3.45Å; K314-W366 HydrophobicContact CG-CB 4.06Å; K314-W366 HydrophobicContact CG-CE3 4.27Å; K314-W366 WeakPolarHBondContact CG-O 3.1Å; K314-W366 PolarHBondContact N-O 3.05Å; W315-W366 HydrophobicContact CE3-CB 4.47Å; W315-W366 HydrophobicContact CH2-CB 4.17Å; W315-W366 HydrophobicContact CZ3-CB 3.69Å; W315-W366 AromaticContact CZ3-CD1 3.99Å; W315-W366 HydrophobicContact CZ3-CG 4.1Å; E356-W366 HydrophobicContact CB-CE3 4.14Å; E356-W366 HydrophobicContact CB-CH2 3.91Å; E356-W366 HydrophobicContact CB-CZ2 4.36Å; E356-W366 HydrophobicContact CB-CZ3 3.78Å; V363-W366 PolarHBondContact O-N 3.04Å; D364-W366 PolarHBondContact O-N 3.27Å
367A97.4Very high94.5Very high2 Ų242.2 Ų42.22%0.01725%0.252CS..BIsolated β-bridgetrans-67.2145.9177.600000112.3T312 F313 N357 D364 K369T312-A367 CarbonylContact O-C 3.6Å; T312-A367 WeakPolarHBondContact O-CA 3.42Å; F313-A367 HydrophobicContact CD1-CB 3.99Å; F313-A367 HydrophobicContact CE1-CB 3.93Å; N357-A367 PolarHBondContact ND2-N 3.32Å; N357-A367 PolarHBondContact ND2-O 3.34Å; D364-A367 WeakPolarHBondContact O-CB 3.24Å; D364-A367 PolarHBondContact O-N 3.18Å; A367-K369 VanDerWaalsContact C-N 3.33Å; A367-K369 PolarHBondContact O-N 2.86Å; A367-K369 VanDerWaalsContact O-N 3.16Å
368N97.4Very high94.5Very high2 Ų246.1 Ų46.11%0.01126%0.264CS..  trans-82.683.1165.2-53.9-48.3000108T312 F313 K314 S317 L351 G371T312-N368 PolarHBondContact O-N 3.15Å; T312-N368 PolarHBondContact OG1-ND2 3.41Å; F313-N368 PolarHBondContact O-ND2 2.94Å; K314-N368 PolarHBondContact NZ-OD1 2.78Å; S317-N368 PolarHBondContact OG-ND2 3.5Å; L351-N368 HydrophobicContact CD1-CB 4.38Å; N368-G371 PolarHBondContact O-N 2.84Å
369K95.4Very high94.4Very high87 Ų8745.6 Ų45.638%0.37826%0.259SS..THydrogen-bonded Turntrans-60.4147175.9-71.5-174.9175.7-179.30110.4D310 N357 A367 G371D310-K369 WeakPolarHBondContact OD1-CA 3.18Å; N357-K369 HydrophobicContact CB-CD 4.16Å; A367-K369 VanDerWaalsContact C-N 3.33Å; A367-K369 PolarHBondContact O-N 2.86Å; A367-K369 VanDerWaalsContact O-N 3.16Å; K369-G371 PolarHBondContact O-N 3.2Å
370G93.6Very high94.5Very high16 Ų1645.6 Ų45.617%0.16523%0.231CC..THydrogen-bonded Turntrans81.2-5.4-178.300000114.4D310 L334 K335D310-G370 PolarHBondContact OD1-N 3.14Å; L334-G370 WeakPolarHBondContact CB-O 3.31Å; K335-G370 PolarHBondContact N-O 3.37Å
371G96.9Very high94.7Very high0 Ų044.5 Ų44.50%022%0.222CC..  trans76.4-173.3-175.300000113F307 L334 N368 K369F307-G371 CarbonylContact O-C 3.58Å; F307-G371 WeakPolarHBondContact O-CA 3.47Å; L334-G371 PolarHBondContact N-O 3.33Å; L334-G371 VanDerWaalsContact N-O 3.15Å; N368-G371 PolarHBondContact O-N 2.84Å; K369-G371 PolarHBondContact O-N 3.2Å
372L98.4Very high94.8Very high3 Ų343.5 Ų43.52%0.01620%0.204CC..EExtended strand (participates in β ladder)trans-144.4157.6-173.660.779.8000113.8Y305 I306 F307 T312 I331 V332 L351Y305-L372 HydrophobicContact CD1-CD1 4Å; Y305-L372 HydrophobicContact CE1-CD1 3.69Å; I306-L372 WeakPolarHBondContact CA-O 3.47Å; F307-L372 HydrophobicContact CB-CD1 4.18Å; F307-L372 HydrophobicContact CB-CG 4.23Å; F307-L372 PolarHBondContact N-O 2.85Å; F307-L372 PolarHBondContact O-N 2.5Å; T312-L372 HydrophobicContact CG2-CD2 4.44Å; T312-L372 WeakPolarHBondContact OG1-CD2 3.38Å; I331-L372 HydrophobicContact CG2-CB 3.82Å; I331-L372 HydrophobicContact CG2-CD1 4.23Å; I331-L372 HydrophobicContact CG2-CD2 4.28Å; I331-L372 HydrophobicContact CG2-CG 4.33Å; V332-L372 CarbonylContact O-C 3.57Å; V332-L372 VanDerWaalsContact O-CA 3.27Å; V332-L372 WeakPolarHBondContact O-CA 3.28Å; L351-L372 HydrophobicContact CD1-CB 4.22Å; L351-L372 HydrophobicContact CD1-CD2 4.3Å
373I98.6Very high95Very high0 Ų044.3 Ų44.30%020%0.201CC..EExtended strand (participates in β ladder)trans-126.7117.3164.4-58.3167.3000109.2I304 Y305 I306 I331 V332 L334 L381 L385I304-I373 HydrophobicContact CD1-CG2 4.26Å; I304-I373 HydrophobicContact CG2-CG2 3.72Å; Y305-I373 CarbonylContact O-C 3.57Å; Y305-I373 VanDerWaalsContact O-CA 3.28Å; Y305-I373 WeakPolarHBondContact O-CA 3.22Å; I306-I373 HydrophobicContact CB-CG1 4.45Å; I306-I373 HydrophobicContact CD1-CG1 4.32Å; I306-I373 HydrophobicContact CG1-CG1 4.09Å; I331-I373 WeakPolarHBondContact CA-O 3.42Å; V332-I373 HydrophobicContact CG2-CB 3.85Å; V332-I373 WeakPolarHBondContact CG2-O 3.47Å; V332-I373 PolarHBondContact N-O 3.4Å; V332-I373 PolarHBondContact O-N 3.2Å; L334-I373 HydrophobicContact CB-CG1 4.23Å; L334-I373 HydrophobicContact CD1-CD1 3.51Å; L334-I373 HydrophobicContact CD1-CG1 3.77Å; I373-L381 HydrophobicContact CB-CD1 4.47Å; I373-L381 HydrophobicContact CD1-CD1 4.44Å; I373-L381 HydrophobicContact CG2-CD1 3.66Å; I373-L385 HydrophobicContact CD1-CD2 3.57Å
374A98.8Very high95.3Very high0 Ų043.3 Ų43.30%020%0.195CC..EExtended strand (participates in β ladder)trans-95135.8169.500000110.8V297 Y305 L324 I331V297-A374 HydrophobicContact CG2-CB 4.47Å; Y305-A374 HydrophobicContact CD1-CB 4.14Å; Y305-A374 PolarHBondContact N-O 3.08Å; Y305-A374 PolarHBondContact O-N 3.36Å; L324-A374 HydrophobicContact CD1-CB 3.85Å; I331-A374 HydrophobicContact CD1-CB 3.99Å; I331-A374 HydrophobicContact CG1-CB 3.74Å; I331-A374 HydrophobicContact CG2-CB 4.39Å
375Y98.5Very high95.4Very high4 Ų442 Ų422%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-150.9154.1-173.868.3-78.2000111.5G329 G330 V332 L348 Q350 R378 L381G329-Y375 CarbonylContact C-O 3.58Å; G329-Y375 VanDerWaalsContact CA-O 3.23Å; G329-Y375 WeakPolarHBondContact CA-O 3.17Å; G330-Y375 VanDerWaalsContact C-CE1 3.47Å; G330-Y375 PolarHBondContact N-O 3.03Å; G330-Y375 WeakPolarHBondContact O-CD1 3.19Å; G330-Y375 WeakPolarHBondContact O-CE1 3.39Å; G330-Y375 PolarHBondContact O-N 2.73Å; V332-Y375 HydrophobicContact CG1-CE1 3.71Å; V332-Y375 HydrophobicContact CG2-CD1 4.47Å; V332-Y375 HydrophobicContact CG2-CE1 4.21Å; L348-Y375 WeakPolarHBondContact CD1-OH 2.88Å; Q350-Y375 PolarHBondContact NE2-OH 3.3Å; Y375-R378 HydrophobicContact CE2-CB 4.24Å; Y375-L381 HydrophobicContact CD1-CD1 4.45Å; Y375-L381 HydrophobicContact CD1-CD2 3.57Å; Y375-L381 HydrophobicContact CD1-CG 4.39Å; Y375-L381 HydrophobicContact CD2-CB 3.83Å; Y375-L381 HydrophobicContact CD2-CD2 4.05Å; Y375-L381 HydrophobicContact CE1-CD2 3.51Å; Y375-L381 HydrophobicContact CE2-CB 4.33Å; Y375-L381 HydrophobicContact CE2-CD2 4.01Å; Y375-L381 HydrophobicContact CG-CB 3.94Å; Y375-L381 HydrophobicContact CG-CD1 4.41Å; Y375-L381 HydrophobicContact CG-CD2 3.82Å; Y375-L381 HydrophobicContact CG-CG 4.27Å
376R96.1Very high95.2Very high75 Ų7540.8 Ų40.828%0.28319%0.194SC..SBendtrans-99.5-22.7178-166.7174.8174.2-176.80.7114.3V297 L324 M327 G328 G329V297-R376 HydrophobicContact CG1-CB 4.4Å; L324-R376 HydrophobicContact CD2-CB 4.4Å; M327-R376 HydrophobicContact CB-CG 4.03Å; M327-R376 HydrophobicContact SD-CG 4.18Å; M327-R376 PolarHBondContact SD-NE 3.26Å; M327-R376 VanDerWaalsContact SD-NE 3.4Å; G328-R376 CarbonylContact C-O 3.49Å; G329-R376 WeakPolarHBondContact CA-O 3.34Å; G329-R376 PolarHBondContact N-O 2.9Å
377S93.8Very high95.1Very high48 Ų4840.5 Ų40.534%0.33620%0.196SC..  trans-133.5117.3-176.8176.10000111.6K379 R380 L381S377-K379 VanDerWaalsContact C-N 3.28Å; S377-K379 PolarHBondContact O-N 2.9Å; S377-R380 PolarHBondContact O-N 3.03Å; S377-R380 VanDerWaalsContact O-N 3.08Å; S377-L381 PolarHBondContact O-N 2.79Å
378R93.1Very high94.9Very high111 Ų11140.4 Ų40.442%0.41920%0.196SC..Hα-helixtrans-52.3-44.7176.9-179.8169-179171.50.4112.6L346 D347 L348 Y375 R380 L381 E382L346-R378 PolarHBondContact O-NH2 3.23Å; D347-R378 IonicContact OD1-NH1 2.6Å; L348-R378 HydrophobicContact CD1-CG 3.77Å; Y375-R378 HydrophobicContact CE2-CB 4.24Å; R378-R380 VanDerWaalsContact C-N 3.35Å; R378-R380 PolarHBondContact O-N 3.2Å; R378-L381 PolarHBondContact O-N 3.43Å; R378-E382 WeakPolarHBondContact O-CG 3.39Å; R378-E382 PolarHBondContact O-N 3.13Å
379K91.3Very high94.6Very high170 Ų17043.3 Ų43.374%0.73921%0.213SC*.Hα-helixtrans-61.1-41.8178.6-176.3177.9178.7179.10112.4S377 T383S377-K379 VanDerWaalsContact C-N 3.28Å; S377-K379 PolarHBondContact O-N 2.9Å; K379-T383 PolarHBondContact O-N 3.31Å; K379-T383 PolarHBondContact O-OG1 3.46Å
380R92.9Very high94.3Very high92 Ų9245 Ų4535%0.34722%0.222SC..Hα-helixtrans-67.5-41.2177-70.5-174.272.982.40.4110.9F260 D303 S377 R378 T383 F384F260-R380 HydrophobicContact CE1-CB 4.29Å; F260-R380 WeakPolarHBondContact CE1-O 3.27Å; D303-R380 IonicContact OD1-CZ 3.96Å; D303-R380 IonicContact OD1-NE 3.88Å; D303-R380 PolarHBondContact OD1-NE 3.44Å; D303-R380 IonicContact OD1-NH2 3.69Å; D303-R380 PolarHBondContact OD1-NH2 2.83Å; D303-R380 IonicContact OD2-CZ 2.7Å; D303-R380 IonicContact OD2-NH2 3.26Å; D303-R380 PolarHBondContact OD2-NH2 2.92Å; S377-R380 PolarHBondContact O-N 3.03Å; S377-R380 VanDerWaalsContact O-N 3.08Å; R378-R380 VanDerWaalsContact C-N 3.35Å; R378-R380 PolarHBondContact O-N 3.2Å; R380-T383 PolarHBondContact O-N 3.27Å; R380-F384 WeakPolarHBondContact O-CB 3.41Å; R380-F384 PolarHBondContact O-N 3.32Å
381L95.1Very high94.1Very high0 Ų045.6 Ų45.60%022%0.222CC..Hα-helixtrans-59.3-49176.9176.667.4000112I304 V332 L348 I373 Y375 S377 R378 T383 F384 L385I304-L381 HydrophobicContact CD1-CD1 4.15Å; V332-L381 HydrophobicContact CG2-CD2 3.95Å; L348-L381 HydrophobicContact CD1-CD2 3.78Å; L348-L381 HydrophobicContact CD2-CD2 3.87Å; L348-L381 HydrophobicContact CG-CD2 4.49Å; I373-L381 HydrophobicContact CB-CD1 4.47Å; I373-L381 HydrophobicContact CD1-CD1 4.44Å; I373-L381 HydrophobicContact CG2-CD1 3.66Å; Y375-L381 HydrophobicContact CD1-CD1 4.45Å; Y375-L381 HydrophobicContact CD1-CD2 3.57Å; Y375-L381 HydrophobicContact CD1-CG 4.39Å; Y375-L381 HydrophobicContact CD2-CB 3.83Å; Y375-L381 HydrophobicContact CD2-CD2 4.05Å; Y375-L381 HydrophobicContact CE1-CD2 3.51Å; Y375-L381 HydrophobicContact CE2-CB 4.33Å; Y375-L381 HydrophobicContact CE2-CD2 4.01Å; Y375-L381 HydrophobicContact CG-CB 3.94Å; Y375-L381 HydrophobicContact CG-CD1 4.41Å; Y375-L381 HydrophobicContact CG-CD2 3.82Å; Y375-L381 HydrophobicContact CG-CG 4.27Å; S377-L381 PolarHBondContact O-N 2.79Å; R378-L381 PolarHBondContact O-N 3.43Å; L381-T383 VanDerWaalsContact C-N 3.27Å; L381-T383 PolarHBondContact O-N 3.16Å; L381-F384 HydrophobicContact CD1-CD1 4.43Å; L381-F384 CarbonylContact O-C 3.53Å; L381-F384 WeakPolarHBondContact O-CB 2.91Å; L381-F384 PolarHBondContact O-N 3.14Å; L381-F384 VanDerWaalsContact O-N 3.09Å; L381-L385 HydrophobicContact CD1-CD1 4.07Å; L381-L385 HydrophobicContact CD1-CD2 4.5Å; L381-L385 HydrophobicContact CD1-CG 3.93Å; L381-L385 HydrophobicContact CD2-CD1 4.29Å; L381-L385 HydrophobicContact CG-CD1 3.86Å; L381-L385 HydrophobicContact CG-CG 4.16Å; L381-L385 WeakPolarHBondContact O-CG 3.46Å; L381-L385 PolarHBondContact O-N 2.78Å
382E92.6Very high93.7Very high54 Ų5446.8 Ų46.825%0.25223%0.228SC..Hα-helixtrans-61-38.7-178.6-67.5-69.3-178.800112R340 R378 S386R340-E382 IonicContact CZ-OE1 3.04Å; R340-E382 IonicContact CZ-OE2 3.79Å; R340-E382 IonicContact NH1-OE1 3.85Å; R340-E382 PolarHBondContact NH1-OE1 3.2Å; R340-E382 IonicContact NH1-OE2 3.42Å; R340-E382 IonicContact NH2-OE1 3.41Å; R340-E382 PolarHBondContact NH2-OE1 2.87Å; R340-E382 IonicContact NH2-OE2 3.7Å; R340-E382 PolarHBondContact NH2-OE2 3.38Å; R378-E382 WeakPolarHBondContact O-CG 3.39Å; R378-E382 PolarHBondContact O-N 3.13Å; E382-S386 PolarHBondContact O-N 3.31Å; E382-S386 VanDerWaalsContact O-N 3.15Å; E382-S386 PolarHBondContact O-OG 3.33Å
383T93.2Very high92.7Very high57 Ų5749.3 Ų49.335%0.3525%0.249SC..Hα-helixtrans-66.1-42.9174.6-52.20000111P258 F260 K379 R380 L381 L387P258-T383 HydrophobicContact CG-CG2 4.27Å; F260-T383 HydrophobicContact CE2-CG2 4.17Å; F260-T383 HydrophobicContact CZ-CG2 3.79Å; K379-T383 PolarHBondContact O-N 3.31Å; K379-T383 PolarHBondContact O-OG1 3.46Å; R380-T383 PolarHBondContact O-N 3.27Å; L381-T383 VanDerWaalsContact C-N 3.27Å; L381-T383 PolarHBondContact O-N 3.16Å; T383-L387 WeakPolarHBondContact O-CG 3.17Å; T383-L387 PolarHBondContact O-N 2.82Å
384F94.9Very high91.4Very high0 Ų051.8 Ų51.80%027%0.267CS..Hα-helixtrans-63.1-47.2177.4172.8-96.2000112.3F260 L276 V279 I304 R380 L381 S386 L387 L388F260-F384 HydrophobicContact CB-CD2 4.21Å; F260-F384 HydrophobicContact CD1-CB 4.06Å; F260-F384 HydrophobicContact CD1-CD2 4.04Å; F260-F384 HydrophobicContact CD1-CG 4.49Å; F260-F384 HydrophobicContact CD2-CD2 4.35Å; F260-F384 HydrophobicContact CE1-CB 3.76Å; F260-F384 HydrophobicContact CE2-CB 4.49Å; F260-F384 AromaticContact CG-CD2 3.93Å; F260-F384 HydrophobicContact CG-CD2 3.93Å; F260-F384 HydrophobicContact CZ-CB 4Å; L276-F384 HydrophobicContact CD2-CE2 3.92Å; L276-F384 HydrophobicContact CD2-CZ 3.56Å; V279-F384 HydrophobicContact CG1-CD2 3.87Å; V279-F384 HydrophobicContact CG1-CE2 3.97Å; I304-F384 HydrophobicContact CB-CZ 4.44Å; I304-F384 HydrophobicContact CD1-CD1 4.18Å; I304-F384 HydrophobicContact CD1-CG 4.27Å; I304-F384 HydrophobicContact CG1-CD1 4.09Å; I304-F384 HydrophobicContact CG1-CD2 4.02Å; I304-F384 HydrophobicContact CG1-CE1 4.26Å; I304-F384 HydrophobicContact CG1-CE2 4.19Å; I304-F384 HydrophobicContact CG1-CG 3.96Å; I304-F384 HydrophobicContact CG1-CZ 4.3Å; I304-F384 HydrophobicContact CG2-CD1 4.49Å; I304-F384 HydrophobicContact CG2-CE1 3.92Å; I304-F384 HydrophobicContact CG2-CZ 3.96Å; R380-F384 WeakPolarHBondContact O-CB 3.41Å; R380-F384 PolarHBondContact O-N 3.32Å; L381-F384 HydrophobicContact CD1-CD1 4.43Å; L381-F384 CarbonylContact O-C 3.53Å; L381-F384 WeakPolarHBondContact O-CB 2.91Å; L381-F384 PolarHBondContact O-N 3.14Å; L381-F384 VanDerWaalsContact O-N 3.09Å; F384-S386 VanDerWaalsContact C-N 3.32Å; F384-S386 PolarHBondContact O-N 3.15Å; F384-L387 PolarHBondContact O-N 3.38Å; F384-L388 HydrophobicContact CE1-CB 4.43Å; F384-L388 HydrophobicContact CE1-CD2 3.89Å; F384-L388 HydrophobicContact CZ-CD2 4.29Å; F384-L388 WeakPolarHBondContact O-CB 3.22Å; F384-L388 PolarHBondContact O-N 3.08Å
385L93.9Very high89.6Confident6 Ų652.7 Ų52.73%0.03127%0.274CS..Hα-helixtrans-59.1-43.5178.4-76.5173.7000111.6C337 L348 I373 L381 L387 L388 V389C337-L385 HydrophobicContact CB-CD1 4.13Å; C337-L385 HydrophobicContact CB-CD2 3.98Å; L348-L385 HydrophobicContact CD2-CD1 4.35Å; I373-L385 HydrophobicContact CD1-CD2 3.57Å; L381-L385 HydrophobicContact CD1-CD1 4.07Å; L381-L385 HydrophobicContact CD1-CD2 4.5Å; L381-L385 HydrophobicContact CD1-CG 3.93Å; L381-L385 HydrophobicContact CD2-CD1 4.29Å; L381-L385 HydrophobicContact CG-CD1 3.86Å; L381-L385 HydrophobicContact CG-CG 4.16Å; L381-L385 WeakPolarHBondContact O-CG 3.46Å; L381-L385 PolarHBondContact O-N 2.78Å; L385-L387 VanDerWaalsContact C-N 3.28Å; L385-L387 PolarHBondContact O-N 3.07Å; L385-L388 PolarHBondContact O-N 3.42Å; L385-V389 WeakPolarHBondContact O-CG2 3.44Å; L385-V389 PolarHBondContact O-N 2.96Å
386S91.5Very high87.8Confident68 Ų6859.6 Ų59.648%0.47631%0.307SS..Hα-helixtrans-57.5-42.5177.4-59.40000111.9E382 F384 Q390E382-S386 PolarHBondContact O-N 3.31Å; E382-S386 VanDerWaalsContact O-N 3.15Å; E382-S386 PolarHBondContact O-OG 3.33Å; F384-S386 VanDerWaalsContact C-N 3.32Å; F384-S386 PolarHBondContact O-N 3.15Å; S386-Q390 VanDerWaalsContact O-CG 3.27Å; S386-Q390 WeakPolarHBondContact O-CG 3.44Å; S386-Q390 PolarHBondContact O-N 3.46Å
387L93Very high85.9Confident55 Ų5561.6 Ų61.629%0.28833%0.328SS..Hα-helixtrans-73.3-39.1177.1-64.8172.3000112.1F260 V279 T383 F384 L385 N391F260-L387 HydrophobicContact CD2-CD1 4.16Å; F260-L387 HydrophobicContact CE2-CD1 3.67Å; V279-L387 HydrophobicContact CG1-CB 4.06Å; V279-L387 HydrophobicContact CG1-CD1 4.2Å; V279-L387 HydrophobicContact CG2-CB 3.93Å; T383-L387 WeakPolarHBondContact O-CG 3.17Å; T383-L387 PolarHBondContact O-N 2.82Å; F384-L387 PolarHBondContact O-N 3.38Å; L385-L387 VanDerWaalsContact C-N 3.28Å; L385-L387 PolarHBondContact O-N 3.07Å; L387-N391 PolarHBondContact O-N 2.73Å; L387-N391 PolarHBondContact O-ND2 3.31Å
388L93.1Very high83.7Confident0 Ų066.3 Ų66.30%034%0.344CS..Hα-helixtrans-62.5-48.1-180-176.366.6000111.2A275 L276 I306 L338 F384 L385 Q390 N391 L392A275-L388 HydrophobicContact CB-CD1 3.93Å; L276-L388 HydrophobicContact CD2-CD1 4.21Å; I306-L388 HydrophobicContact CD1-CD2 3.92Å; L338-L388 HydrophobicContact CD2-CD2 4.37Å; F384-L388 HydrophobicContact CE1-CB 4.43Å; F384-L388 HydrophobicContact CE1-CD2 3.89Å; F384-L388 HydrophobicContact CZ-CD2 4.29Å; F384-L388 WeakPolarHBondContact O-CB 3.22Å; F384-L388 PolarHBondContact O-N 3.08Å; L385-L388 PolarHBondContact O-N 3.42Å; L388-Q390 PolarHBondContact O-N 3.32Å; L388-N391 PolarHBondContact O-N 3.29Å; L388-N391 VanDerWaalsContact O-N 3.14Å; L388-L392 HydrophobicContact CD1-CD1 4.36Å; L388-L392 HydrophobicContact CD1-CG 4.47Å; L388-L392 HydrophobicContact CD2-CD1 4.47Å; L388-L392 HydrophobicContact CG-CD1 3.92Å; L388-L392 HydrophobicContact CG-CG 4.43Å; L388-L392 WeakPolarHBondContact O-CG 3.44Å; L388-L392 PolarHBondContact O-N 2.89Å
389V91.4Very high81.3Confident64 Ų6469.3 Ų69.339%0.38838%0.375SS..Hα-helixtrans-60.1-44.8179.8171.10000111.6L338 L385 N391 L392 A393L338-V389 HydrophobicContact CD2-CG2 3.76Å; L385-V389 WeakPolarHBondContact O-CG2 3.44Å; L385-V389 PolarHBondContact O-N 2.96Å; V389-N391 VanDerWaalsContact C-N 3.26Å; V389-N391 PolarHBondContact O-N 3.24Å; V389-L392 PolarHBondContact O-N 2.82Å; V389-A393 PolarHBondContact O-N 2.99Å; V389-A393 VanDerWaalsContact O-N 3.11Å
390Q90.1Very high80.8Confident121 Ų12164.3 Ų64.357%0.56536%0.357SS*.Hα-helixtrans-58-39.9176.3-72.71724.100112.3S386 L388 S394S386-Q390 VanDerWaalsContact O-CG 3.27Å; S386-Q390 WeakPolarHBondContact O-CG 3.44Å; S386-Q390 PolarHBondContact O-N 3.46Å; L388-Q390 PolarHBondContact O-N 3.32Å; Q390-S394 PolarHBondContact O-N 2.87Å; Q390-S394 PolarHBondContact O-OG 3.27Å
391N89.1Confident80.1Confident29 Ų2962.8 Ų62.816%0.15536%0.357CS..Hα-helixtrans-80-27.9-177.7-77.5-74.8000113.4A275 R278 L387 L388 V389 A395A275-N391 HydrophobicContact CB-CB 4.13Å; R278-N391 HydrophobicContact CB-CB 4.36Å; R278-N391 WeakPolarHBondContact CB-OD1 3.03Å; R278-N391 WeakPolarHBondContact CD-OD1 3.2Å; L387-N391 PolarHBondContact O-N 2.73Å; L387-N391 PolarHBondContact O-ND2 3.31Å; L388-N391 PolarHBondContact O-N 3.29Å; L388-N391 VanDerWaalsContact O-N 3.14Å; V389-N391 VanDerWaalsContact C-N 3.26Å; V389-N391 PolarHBondContact O-N 3.24Å; N391-A395 PolarHBondContact O-N 3.11Å
392L88.1Confident79.3Confident26 Ų2666.3 Ų66.314%0.13638%0.377CS..Hα-helixtrans-69-46.9172.6-73.3168.7000111.5I272 A275 L338 L388 V389 S394 A395 E396I272-L392 HydrophobicContact CD1-CD2 4.16Å; A275-L392 HydrophobicContact CB-CD2 3.63Å; A275-L392 HydrophobicContact CB-CG 3.86Å; L338-L392 HydrophobicContact CD1-CD1 4.22Å; L338-L392 HydrophobicContact CD2-CD1 3.84Å; L388-L392 HydrophobicContact CD1-CD1 4.36Å; L388-L392 HydrophobicContact CD1-CG 4.47Å; L388-L392 HydrophobicContact CD2-CD1 4.47Å; L388-L392 HydrophobicContact CG-CD1 3.92Å; L388-L392 HydrophobicContact CG-CG 4.43Å; L388-L392 WeakPolarHBondContact O-CG 3.44Å; L388-L392 PolarHBondContact O-N 2.89Å; V389-L392 PolarHBondContact O-N 2.82Å; L392-S394 PolarHBondContact O-N 3.5Å; L392-A395 WeakPolarHBondContact O-CB 3.3Å; L392-A395 PolarHBondContact O-N 3.32Å; L392-E396 PolarHBondContact O-N 3.24Å
393A78.3Confident78.5Confident55 Ų5567 Ų6746%0.45538%0.384SS..Hα-helixtrans-61.3-33.7176.800000112.8V389 A395 T397V389-A393 PolarHBondContact O-N 2.99Å; V389-A393 VanDerWaalsContact O-N 3.11Å; A393-A395 VanDerWaalsContact C-N 3.27Å; A393-A395 PolarHBondContact O-N 3.34Å; A393-T397 PolarHBondContact O-N 2.84Å; A393-T397 PolarHBondContact O-OG1 3.21Å
394S70.1Confident77.6Confident52 Ų5267.6 Ų67.636%0.36439%0.387SS..Hα-helixtrans-73.2-17.2176.3-59.50000113.6Q390 L392 T397 Q398Q390-S394 PolarHBondContact O-N 2.87Å; Q390-S394 PolarHBondContact O-OG 3.27Å; L392-S394 PolarHBondContact O-N 3.5Å; S394-T397 WeakPolarHBondContact CA-OG1 3.49Å; S394-T397 PolarHBondContact O-OG1 3.21Å; S394-Q398 WeakPolarHBondContact O-CG 3.49Å
395A61.9Low76.4Confident20 Ų2072.1 Ų72.117%0.16541%0.412CS..Hα-helixtrans-86.7-37.8176.100000111.2N391 L392 A393 T397 Q398N391-A395 PolarHBondContact O-N 3.11Å; L392-A395 WeakPolarHBondContact O-CB 3.3Å; L392-A395 PolarHBondContact O-N 3.32Å; A393-A395 VanDerWaalsContact C-N 3.27Å; A393-A395 PolarHBondContact O-N 3.34Å; A395-T397 VanDerWaalsContact C-N 3.28Å; A395-T397 PolarHBondContact O-N 3.39Å; A395-Q398 PolarHBondContact O-N 3.45Å
396E60.2Low75.2Confident149 Ų14976.9 Ų76.970%0.69644%0.44SS*.Hα-helixtrans-67.3-25.7177-68-179.2172.200113.4L392 Q398 T399L392-E396 PolarHBondContact O-N 3.24Å; E396-Q398 VanDerWaalsContact C-N 3.32Å; E396-T399 PolarHBondContact O-OG1 3.43Å
397T56.4Low73.9Confident117 Ų11777.5 Ų77.572%0.71844%0.437SS*.THydrogen-bonded Turntrans-81.7-8.3176.230.30000113.9A393 S394 A395A393-T397 PolarHBondContact O-N 2.84Å; A393-T397 PolarHBondContact O-OG1 3.21Å; S394-T397 WeakPolarHBondContact CA-OG1 3.49Å; S394-T397 PolarHBondContact O-OG1 3.21Å; A395-T397 VanDerWaalsContact C-N 3.28Å; A395-T397 PolarHBondContact O-N 3.39Å
398Q47.8Very low72.4Confident146 Ų14679.4 Ų79.468%0.68245%0.449SS*.  trans-104.3-6.4-179.8-70.1-178.1-1600113.6S394 A395 E396S394-Q398 WeakPolarHBondContact O-CG 3.49Å; A395-Q398 PolarHBondContact O-N 3.45Å; E396-Q398 VanDerWaalsContact C-N 3.32Å
399T41.9Very low70.5Confident174 Ų17486.6 Ų86.6100%1.06749%0.49SS*.  trans-103.20171.448.90000110.4E396E396-T399 PolarHBondContact O-OG1 3.43Å

Retrieved 399 of 399 residues in 1888 ms (Link to these results)

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