A0A087XX06_POEFO Loading...

Thioredoxin-like 1

AlphaFold DB , UniProt , Accession A0A087XX06, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 289 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
1M44Very low86.2Confident215 Ų21570.9 Ų70.9100%1.05943%0.431SS*.  0122.40-119.4178.4174.300107.3G3 N49M1-G3 PolarHBondContact O-N 2.75Å; M1-N49 WeakPolarHBondContact CG-OD1 3.3Å
2V60.7Low86.8Confident68 Ų6871.1 Ų71.141%0.41243%0.428SS..  trans-80.795.1173.7-175.20000106.1S48 P52V2-S48 CarbonylContact O-C 3.45Å; V2-S48 WeakPolarHBondContact O-CB 3.33Å; V2-S48 PolarHBondContact O-OG 3.37Å; V2-P52 HydrophobicContact CG2-CB 4.18Å
3G86.1Confident87.4Confident44 Ų4465.7 Ų65.745%0.45440%0.395SS..PPolyproline II helixtrans-88.3167.4-178.300000112.1M1 K5M1-G3 PolarHBondContact O-N 2.75Å; G3-K5 PolarHBondContact O-N 3.42Å
4V95.5Very high87.4Confident26 Ų2665.2 Ų65.216%0.15839%0.387CS..PPolyproline II helixtrans-68.2124.1166.8179.20000108.7F44 N45 F56 E58V4-F44 HydrophobicContact CB-CD1 4.49Å; V4-F44 HydrophobicContact CB-CE1 4.47Å; V4-F44 HydrophobicContact CG1-CD1 4.01Å; V4-F44 HydrophobicContact CG1-CE1 3.7Å; V4-F44 HydrophobicContact CG2-CD1 3.63Å; V4-F44 HydrophobicContact CG2-CE1 3.88Å; V4-N45 WeakPolarHBondContact CG2-OD1 3.18Å; V4-F56 HydrophobicContact CG2-CB 4.03Å; V4-E58 HydrophobicContact CG1-CB 3.69Å
5K95.9Very high87.6Confident99 Ų9965.8 Ų65.843%0.4339%0.393SS..EExtended strand (participates in β ladder)trans-90.9123178-176.3170.5-175.3168.40110.5G3 E16 F56 L57 E58G3-K5 PolarHBondContact O-N 3.42Å; K5-E16 HydrophobicContact CD-CG 4.36Å; K5-E16 VanDerWaalsContact CD-OE2 3.31Å; K5-E16 WeakPolarHBondContact CD-OE2 3.49Å; K5-E16 WeakPolarHBondContact CE-OE1 3.29Å; K5-E16 WeakPolarHBondContact CE-OE2 3.07Å; K5-E16 IonicContact NZ-OE1 2.58Å; K5-E16 PolarHBondContact NZ-OE1 3.48Å; K5-E16 IonicContact NZ-OE2 2.67Å; K5-E16 PolarHBondContact NZ-OE2 3.45Å; K5-F56 PolarHBondContact N-O 2.91Å; K5-L57 HydrophobicContact CB-CD2 3.86Å; K5-L57 HydrophobicContact CD-CD2 4.45Å; K5-L57 HydrophobicContact CG-CD2 4.4Å; K5-L57 CarbonylContact O-C 3.48Å; K5-L57 VanDerWaalsContact O-CA 3.3Å; K5-L57 WeakPolarHBondContact O-CA 3.38Å; K5-E58 PolarHBondContact O-N 3.44Å
6V96.7Very high87.9Confident98 Ų9864.4 Ų64.459%0.59438%0.381SS*.EExtended strand (participates in β ladder)trans-82.4129.4176.7-177.90000109.7E58V6-E58 HydrophobicContact CG2-CB 4.49Å
7I97.1Very high88Confident4 Ų460.8 Ų60.82%0.02136%0.359CS..EExtended strand (participates in β ladder)trans-87.9111.9172.6-55.3-55.4000108.1S9 D12 F13 E16 L57 E58 V59I7-S9 WeakPolarHBondContact CG2-O 3.05Å; I7-D12 HydrophobicContact CG2-CB 4.1Å; I7-F13 HydrophobicContact CG1-CD2 4.41Å; I7-F13 HydrophobicContact CG2-CB 4.14Å; I7-E16 HydrophobicContact CD1-CB 3.89Å; I7-E16 HydrophobicContact CD1-CG 3.6Å; I7-L57 HydrophobicContact CD1-CD1 4.37Å; I7-L57 HydrophobicContact CD1-CD2 4.24Å; I7-L57 HydrophobicContact CG1-CB 4.41Å; I7-E58 PolarHBondContact N-O 2.83Å; I7-V59 HydrophobicContact CB-CG2 3.93Å; I7-V59 HydrophobicContact CG1-CG2 3.79Å
8G92.1Very high87.8Confident50 Ų5059.9 Ų59.952%0.51536%0.36SS..  trans-83.8-16.9-174.200000114.5V63G8-V63 WeakPolarHBondContact O-CG1 3.16Å
9S94.4Very high87.7Confident41 Ų4160.2 Ų60.229%0.28737%0.369SS..SBendtrans-158.2157.6-17973.50000112.5I7 P11 D12I7-S9 WeakPolarHBondContact CG2-O 3.05Å; S9-P11 VanDerWaalsContact C-CD 3.49Å; S9-P11 WeakPolarHBondContact OG-CD 3.48Å; S9-D12 PolarHBondContact N-OD2 2.9Å; S9-D12 WeakPolarHBondContact O-CB 3.44Å; S9-D12 PolarHBondContact O-N 3.42Å; S9-D12 PolarHBondContact OG-OD2 2.72Å
10D92.6Very high87.7Confident57 Ų5757.4 Ų57.431%0.30535%0.353SS..Hα-helixtrans-53-42.8178.2-74.9-52.9000114.3D12 F13 C64 G66 T67D10-D12 PolarHBondContact O-N 3.49Å; D10-F13 PolarHBondContact O-N 2.68Å; D10-C64 WeakPolarHBondContact OD1-CA 3.19Å; D10-C64 WeakPolarHBondContact OD1-CB 3.4Å; D10-G66 PolarHBondContact OD1-N 2.93Å; D10-G66 PolarHBondContact OD2-N 3.17Å; D10-T67 WeakPolarHBondContact OD1-CB 3.2Å; D10-T67 PolarHBondContact OD1-N 3.08Å; D10-T67 PolarHBondContact OD1-OG1 3.27Å
11P93.4Very high87.5Confident78 Ų7856.1 Ų56.151%0.50635%0.351SS..Hα-helixtrans-61.4-24.4177.1-25.535.2000115.1S9 P15S9-P11 VanDerWaalsContact C-CD 3.49Å; S9-P11 WeakPolarHBondContact OG-CD 3.48Å; P11-P15 WeakPolarHBondContact O-CD 3.4Å
12D93Very high89Confident73 Ų7346.8 Ų46.839%0.3931%0.307SS..Hα-helixtrans-80.7-19.4-175.9-58.6-33.9000112I7 S9 D10 P15 E16I7-D12 HydrophobicContact CG2-CB 4.1Å; S9-D12 PolarHBondContact N-OD2 2.9Å; S9-D12 WeakPolarHBondContact O-CB 3.44Å; S9-D12 PolarHBondContact O-N 3.42Å; S9-D12 PolarHBondContact OG-OD2 2.72Å; D10-D12 PolarHBondContact O-N 3.49Å; D12-P15 WeakPolarHBondContact O-CD 3.29Å; D12-E16 VanDerWaalsContact O-CG 3.27Å; D12-E16 WeakPolarHBondContact O-CG 3.31Å; D12-E16 PolarHBondContact O-N 3.31Å
13F94.2Very high90.2Very high1 Ų147 Ų470%0.00430%0.3CS..Hα-helixtrans-63.3-48.2-175.9-177.2-111.6000113.1I7 D10 E16 L17 V27 V59 T67 F82 M275I7-F13 HydrophobicContact CG1-CD2 4.41Å; I7-F13 HydrophobicContact CG2-CB 4.14Å; D10-F13 PolarHBondContact O-N 2.68Å; F13-E16 PolarHBondContact O-N 3.46Å; F13-L17 HydrophobicContact CE1-CD2 4.1Å; F13-L17 HydrophobicContact CZ-CD2 4.19Å; F13-L17 WeakPolarHBondContact O-CB 3.31Å; F13-L17 PolarHBondContact O-N 2.84Å; F13-V27 HydrophobicContact CE2-CG1 3.81Å; F13-V27 HydrophobicContact CE2-CG2 3.99Å; F13-V27 HydrophobicContact CZ-CG1 4.49Å; F13-V27 HydrophobicContact CZ-CG2 4.32Å; F13-V59 HydrophobicContact CD2-CG2 4.06Å; F13-V59 HydrophobicContact CE2-CG2 4.22Å; F13-T67 HydrophobicContact CB-CG2 3.98Å; F13-T67 HydrophobicContact CD1-CG2 3.47Å; F13-T67 VanDerWaalsContact CD1-CG2 3.47Å; F13-T67 HydrophobicContact CD2-CG2 3.85Å; F13-T67 HydrophobicContact CE1-CG2 3.86Å; F13-T67 HydrophobicContact CE2-CG2 4.21Å; F13-T67 HydrophobicContact CG-CG2 3.46Å; F13-T67 VanDerWaalsContact CG-CG2 3.46Å; F13-T67 HydrophobicContact CZ-CG2 4.22Å; F13-F82 HydrophobicContact CZ-CE2 4.24Å; F13-F82 HydrophobicContact CZ-CZ 4.24Å; F13-M275 HydrophobicContact CD1-CE 4.05Å; F13-M275 HydrophobicContact CE1-CE 3.91Å; F13-M275 HydrophobicContact CE1-SD 4.02Å
14Q88.4Confident90.4Very high59 Ų5944.9 Ų44.928%0.27628%0.279SS..Hα-helixtrans-65.7-45.8-177.2-69.1-57.8-48.800113.8E16 L17 A18 M275Q14-E16 VanDerWaalsContact C-N 3.31Å; Q14-E16 PolarHBondContact O-N 2.96Å; Q14-L17 PolarHBondContact O-N 3.27Å; Q14-A18 VanDerWaalsContact O-CB 3.32Å; Q14-A18 WeakPolarHBondContact O-CB 3.38Å; Q14-A18 PolarHBondContact O-N 2.95Å; Q14-M275 PolarHBondContact NE2-SD 3.46Å
15P89.9Confident90.4Very high74 Ų7443.7 Ų43.748%0.48127%0.272SS..Hα-helixtrans-57.2-42.2174.6-26.935000113.1P11 D12 A18 A19P11-P15 WeakPolarHBondContact O-CD 3.4Å; D12-P15 WeakPolarHBondContact O-CD 3.29Å; P15-A18 PolarHBondContact O-N 3.22Å; P15-A19 WeakPolarHBondContact O-CB 3.23Å; P15-A19 PolarHBondContact O-N 2.78Å
16E92.5Very high90.5Very high44 Ų4439 Ų3921%0.20625%0.251CS..Hα-helixtrans-67.9-41.1179.3-65.9-53.3149.700112.3K5 I7 D12 F13 Q14 A18 A19 A20 L57K5-E16 HydrophobicContact CD-CG 4.36Å; K5-E16 VanDerWaalsContact CD-OE2 3.31Å; K5-E16 WeakPolarHBondContact CD-OE2 3.49Å; K5-E16 WeakPolarHBondContact CE-OE1 3.29Å; K5-E16 WeakPolarHBondContact CE-OE2 3.07Å; K5-E16 IonicContact NZ-OE1 2.58Å; K5-E16 PolarHBondContact NZ-OE1 3.48Å; K5-E16 IonicContact NZ-OE2 2.67Å; K5-E16 PolarHBondContact NZ-OE2 3.45Å; I7-E16 HydrophobicContact CD1-CB 3.89Å; I7-E16 HydrophobicContact CD1-CG 3.6Å; D12-E16 VanDerWaalsContact O-CG 3.27Å; D12-E16 WeakPolarHBondContact O-CG 3.31Å; D12-E16 PolarHBondContact O-N 3.31Å; F13-E16 PolarHBondContact O-N 3.46Å; Q14-E16 VanDerWaalsContact C-N 3.31Å; Q14-E16 PolarHBondContact O-N 2.96Å; E16-A18 VanDerWaalsContact C-N 3.31Å; E16-A18 PolarHBondContact O-N 3.41Å; E16-A19 PolarHBondContact O-N 3.33Å; E16-A20 PolarHBondContact O-N 2.89Å; E16-A20 VanDerWaalsContact O-N 3.14Å; E16-L57 HydrophobicContact CB-CD1 4.06Å; E16-L57 HydrophobicContact CB-CD2 4.34Å
17L89.8Confident90.6Very high2 Ų234.3 Ų34.31%0.0122%0.223CC..Hα-helixtrans-65.2-36.8174.6-162.862.3000112F13 Q14 A20 A25 F82 R85F13-L17 HydrophobicContact CE1-CD2 4.1Å; F13-L17 HydrophobicContact CZ-CD2 4.19Å; F13-L17 WeakPolarHBondContact O-CB 3.31Å; F13-L17 PolarHBondContact O-N 2.84Å; Q14-L17 PolarHBondContact O-N 3.27Å; L17-A20 WeakPolarHBondContact O-CB 3.47Å; L17-A20 PolarHBondContact O-N 3.25Å; L17-A25 HydrophobicContact CD1-CB 3.81Å; L17-F82 HydrophobicContact CD1-CB 3.6Å; L17-F82 HydrophobicContact CD1-CD1 4.31Å; L17-F82 HydrophobicContact CD1-CD2 4.02Å; L17-F82 HydrophobicContact CD1-CG 3.75Å; L17-F82 HydrophobicContact CD2-CD1 3.85Å; L17-F82 HydrophobicContact CD2-CE1 4.14Å; L17-F82 HydrophobicContact CD2-CG 4.15Å; L17-F82 HydrophobicContact CG-CB 4.49Å; L17-R85 HydrophobicContact CD2-CB 4.15Å; L17-R85 HydrophobicContact CD2-CG 4.4Å; L17-R85 HydrophobicContact CG-CB 4.33Å; L17-R85 HydrophobicContact CG-CG 4.13Å
18A83.9Confident90.6Very high46 Ų4634.1 Ų34.138%0.3822%0.222SC..Hα-helixtrans-68.7-38174.700000112.3Q14 P15 E16 A20 G21Q14-A18 VanDerWaalsContact O-CB 3.32Å; Q14-A18 WeakPolarHBondContact O-CB 3.38Å; Q14-A18 PolarHBondContact O-N 2.95Å; P15-A18 PolarHBondContact O-N 3.22Å; E16-A18 VanDerWaalsContact C-N 3.31Å; E16-A18 PolarHBondContact O-N 3.41Å; A18-A20 PolarHBondContact O-N 2.96Å; A18-G21 PolarHBondContact O-N 3.37Å; A18-G21 VanDerWaalsContact O-N 3.11Å
19A86.6Confident90.9Very high64 Ų6431.7 Ų31.753%0.52920%0.197SC..Hα-helixtrans-68.7-19.5176.800000113.1P15 E16 G21 R23P15-A19 WeakPolarHBondContact O-CB 3.23Å; P15-A19 PolarHBondContact O-N 2.78Å; E16-A19 PolarHBondContact O-N 3.33Å; A19-G21 VanDerWaalsContact C-N 3.25Å; A19-G21 PolarHBondContact O-N 3Å; A19-R23 PolarHBondContact O-NH2 2.76Å
20A87.3Confident91.1Very high4 Ų430.3 Ų30.33%0.03319%0.187CC..Hα-helixtrans-62.7-34.8169.600000111.7E16 L17 A18 R23 A25 V55E16-A20 PolarHBondContact O-N 2.89Å; E16-A20 VanDerWaalsContact O-N 3.14Å; L17-A20 WeakPolarHBondContact O-CB 3.47Å; L17-A20 PolarHBondContact O-N 3.25Å; A18-A20 PolarHBondContact O-N 2.96Å; A20-R23 WeakPolarHBondContact O-CB 3.44Å; A20-R23 PolarHBondContact O-N 3.03Å; A20-R23 PolarHBondContact O-NE 2.69Å; A20-A25 HydrophobicContact CB-CB 3.91Å; A20-V55 HydrophobicContact CB-CB 4.17Å; A20-V55 HydrophobicContact CB-CG1 4.47Å; A20-V55 HydrophobicContact CB-CG2 3.86Å
21G82.6Confident91.2Very high32 Ų3231.2 Ų31.233%0.3319%0.19SC..THydrogen-bonded Turntrans65-130.1-177.900000111.7A18 A19 R23 N84A18-G21 PolarHBondContact O-N 3.37Å; A18-G21 VanDerWaalsContact O-N 3.11Å; A19-G21 VanDerWaalsContact C-N 3.25Å; A19-G21 PolarHBondContact O-N 3Å; G21-R23 VanDerWaalsContact C-N 3.32Å; G21-N84 WeakPolarHBondContact O-CA 3.18Å; G21-N84 PolarHBondContact O-N 2.95Å; G21-N84 PolarHBondContact O-OD1 2.57Å; G21-N84 VanDerWaalsContact O-OD1 3.11Å
22S76.8Confident91Very high18 Ų1830.9 Ų30.913%0.12619%0.194CC..THydrogen-bonded Turntrans-78.9-13.5176.359.10000113.8R83 N84 D116S22-R83 WeakPolarHBondContact O-CG 3.39Å; S22-R83 PolarHBondContact O-NE 3.42Å; S22-N84 VanDerWaalsContact CA-OD1 3.28Å; S22-N84 WeakPolarHBondContact CA-OD1 3.47Å; S22-N84 PolarHBondContact N-OD1 2.9Å; S22-D116 WeakPolarHBondContact CB-OD2 3.32Å
23R86.1Confident90.8Very high72 Ų7231 Ų3127%0.27221%0.212SC..SBendtrans-66.3147.1176.7-60.2176.5-67.6163.7-3.4110.5A19 A20 G21 A25 H53 N113A19-R23 PolarHBondContact O-NH2 2.76Å; A20-R23 WeakPolarHBondContact O-CB 3.44Å; A20-R23 PolarHBondContact O-N 3.03Å; A20-R23 PolarHBondContact O-NE 2.69Å; G21-R23 VanDerWaalsContact C-N 3.32Å; R23-A25 PolarHBondContact O-N 2.82Å; R23-H53 WeakPolarHBondContact CD-O 3.03Å; R23-N113 WeakPolarHBondContact CD-OD1 3.44Å; R23-N113 VanDerWaalsContact CG-OD1 3.25Å; R23-N113 WeakPolarHBondContact CG-OD1 3.48Å
24L90.5Very high90.8Very high0 Ų031.7 Ų31.70%022%0.217CC..  trans-60.1130.5169.3-175.867.6000110.2V26 V54 V55 F81 V88 H106 T107L24-V26 HydrophobicContact CD2-CG2 4.08Å; L24-V26 HydrophobicContact CG-CG2 4.14Å; L24-V54 HydrophobicContact CB-CG1 4.22Å; L24-V54 HydrophobicContact CB-CG2 4.2Å; L24-V54 HydrophobicContact CD2-CG1 4.14Å; L24-V54 HydrophobicContact CD2-CG2 4.16Å; L24-V54 HydrophobicContact CG-CG1 4.16Å; L24-V54 CarbonylContact O-C 3.52Å; L24-V54 WeakPolarHBondContact O-CA 3.48Å; L24-V54 WeakPolarHBondContact O-CG1 3.34Å; L24-V55 PolarHBondContact O-N 2.76Å; L24-F81 HydrophobicContact CD1-CB 4.24Å; L24-F81 HydrophobicContact CD1-CD1 4.25Å; L24-F81 HydrophobicContact CD2-CD1 4.3Å; L24-V88 HydrophobicContact CD1-CG2 4.28Å; L24-H106 HydrophobicContact CD1-CB 3.86Å; L24-H106 HydrophobicContact CD2-CB 3.62Å; L24-H106 HydrophobicContact CG-CB 4.37Å; L24-T107 HydrophobicContact CD2-CG2 4Å
25A95.5Very high91.1Very high1 Ų137.5 Ų37.51%0.00824%0.236CC..EExtended strand (participates in β ladder)trans-112.6121.6169.900000109.6L17 A20 R23 V55 F81 F82L17-A25 HydrophobicContact CD1-CB 3.81Å; A20-A25 HydrophobicContact CB-CB 3.91Å; R23-A25 PolarHBondContact O-N 2.82Å; A25-V55 CarbonylContact C-O 3.59Å; A25-V55 VanDerWaalsContact CA-O 3.27Å; A25-V55 WeakPolarHBondContact CA-O 3.37Å; A25-V55 HydrophobicContact CB-CB 4.21Å; A25-F81 CarbonylContact O-C 3.59Å; A25-F81 WeakPolarHBondContact O-CA 3.48Å; A25-F82 HydrophobicContact CB-CB 4.18Å; A25-F82 PolarHBondContact N-O 3.04Å; A25-F82 PolarHBondContact O-N 2.85Å
26V97.6Very high91.3Very high0 Ų036 Ų360%023%0.227CC..EExtended strand (participates in β ladder)trans-107.8115.4176.1-171.60000108.7L24 F44 V54 V55 F56 L57 F79 F81 I103L24-V26 HydrophobicContact CD2-CG2 4.08Å; L24-V26 HydrophobicContact CG-CG2 4.14Å; V26-F44 HydrophobicContact CB-CE2 4.42Å; V26-F44 HydrophobicContact CG1-CE2 3.81Å; V26-F44 HydrophobicContact CG1-CZ 4.26Å; V26-V54 HydrophobicContact CG2-CG1 3.7Å; V26-V55 PolarHBondContact N-O 2.87Å; V26-F56 HydrophobicContact CB-CD1 4.35Å; V26-F56 HydrophobicContact CB-CE1 4.4Å; V26-L57 PolarHBondContact O-N 2.78Å; V26-F79 HydrophobicContact CG1-CD1 4.45Å; V26-F81 HydrophobicContact CG1-CD1 4.42Å; V26-F81 HydrophobicContact CG1-CE1 4.14Å; V26-F81 HydrophobicContact CG1-CZ 4.28Å; V26-F81 HydrophobicContact CG2-CD1 3.79Å; V26-F81 HydrophobicContact CG2-CE1 3.86Å; V26-I103 HydrophobicContact CG2-CG1 4.29Å
27V98.1Very high91.5Very high0 Ų034 Ų340%022%0.218CC..EExtended strand (participates in β ladder)trans-107.1111-175.5-172.60000109.4F13 F29 L57 V59 F79 L80 F82F13-V27 HydrophobicContact CE2-CG1 3.81Å; F13-V27 HydrophobicContact CE2-CG2 3.99Å; F13-V27 HydrophobicContact CZ-CG1 4.49Å; F13-V27 HydrophobicContact CZ-CG2 4.32Å; V27-F29 HydrophobicContact CB-CE2 4.09Å; V27-F29 HydrophobicContact CG1-CD2 4.07Å; V27-F29 HydrophobicContact CG1-CE2 3.56Å; V27-F29 HydrophobicContact CG1-CZ 3.96Å; V27-L57 WeakPolarHBondContact CA-O 3.45Å; V27-L57 HydrophobicContact CB-CB 4.46Å; V27-L57 HydrophobicContact CG1-CB 4.26Å; V27-L57 HydrophobicContact CG2-CB 4.16Å; V27-L57 HydrophobicContact CG2-CD1 4.11Å; V27-L57 HydrophobicContact CG2-CG 4.49Å; V27-V59 HydrophobicContact CG1-CB 4.41Å; V27-V59 HydrophobicContact CG1-CG2 3.57Å; V27-F79 VanDerWaalsContact O-CA 3.3Å; V27-F79 WeakPolarHBondContact O-CA 3.45Å; V27-L80 PolarHBondContact N-O 2.98Å; V27-L80 PolarHBondContact O-N 2.69Å; V27-F82 HydrophobicContact CB-CE2 4.2Å; V27-F82 HydrophobicContact CG2-CD2 3.67Å; V27-F82 HydrophobicContact CG2-CE2 3.69Å
28K98.2Very high91.7Very high0 Ų038.7 Ų38.70%024%0.242CC..EExtended strand (participates in β ladder)trans-85.6111.3172.1-177.6-17773.4-176.60110.1S41 F44 L57 E58 V59 F79K28-S41 PolarHBondContact NZ-OG 2.64Å; K28-F44 HydrophobicContact CB-CD1 4.14Å; K28-F44 HydrophobicContact CB-CE1 3.6Å; K28-F44 HydrophobicContact CB-CE2 4.18Å; K28-F44 HydrophobicContact CB-CZ 3.62Å; K28-F44 HydrophobicContact CD-CD1 3.99Å; K28-F44 HydrophobicContact CD-CE1 4.33Å; K28-F44 HydrophobicContact CD-CG 4.21Å; K28-L57 PolarHBondContact N-O 2.69Å; K28-E58 WeakPolarHBondContact CE-OE2 3.44Å; K28-E58 IonicContact NZ-OE2 2.63Å; K28-E58 PolarHBondContact NZ-OE2 3.32Å; K28-E58 WeakPolarHBondContact O-CA 3.38Å; K28-V59 PolarHBondContact O-N 2.89Å; K28-F79 HydrophobicContact CB-CD1 3.81Å; K28-F79 HydrophobicContact CB-CE1 3.65Å; K28-F79 HydrophobicContact CD-CE1 3.68Å; K28-F79 HydrophobicContact CD-CZ 3.97Å; K28-F79 HydrophobicContact CG-CD1 3.99Å; K28-F79 HydrophobicContact CG-CE1 3.44Å; K28-F79 VanDerWaalsContact CG-CE1 3.44Å; K28-F79 HydrophobicContact CG-CZ 3.86Å
29F98.2Very high92.2Very high0 Ų044 Ų440%025%0.252CS..EExtended strand (participates in β ladder)trans-81.8122166.2-69.3-92.2000109.9V27 V59 V61 T67 A68 N71 I73 P77 T78 L80V27-F29 HydrophobicContact CB-CE2 4.09Å; V27-F29 HydrophobicContact CG1-CD2 4.07Å; V27-F29 HydrophobicContact CG1-CE2 3.56Å; V27-F29 HydrophobicContact CG1-CZ 3.96Å; F29-V59 CarbonylContact C-O 3.57Å; F29-V59 WeakPolarHBondContact CA-O 3.11Å; F29-V59 HydrophobicContact CD1-CB 3.87Å; F29-V59 HydrophobicContact CD1-CG1 3.87Å; F29-V59 HydrophobicContact CE1-CB 3.95Å; F29-V59 HydrophobicContact CE1-CG1 3.75Å; F29-V59 HydrophobicContact CE1-CG2 4.36Å; F29-V61 HydrophobicContact CB-CG1 4.1Å; F29-V61 HydrophobicContact CD1-CG1 4.18Å; F29-T67 HydrophobicContact CE1-CG2 4.09Å; F29-T67 HydrophobicContact CZ-CG2 4.28Å; F29-A68 HydrophobicContact CD1-CB 4.5Å; F29-N71 HydrophobicContact CZ-CB 3.95Å; F29-I73 HydrophobicContact CB-CD1 4.26Å; F29-I73 HydrophobicContact CB-CG1 4.25Å; F29-I73 HydrophobicContact CB-CG2 3.96Å; F29-I73 HydrophobicContact CD1-CD1 4.17Å; F29-I73 HydrophobicContact CD1-CG1 3.63Å; F29-I73 HydrophobicContact CD2-CD1 3.55Å; F29-I73 HydrophobicContact CD2-CG1 3.99Å; F29-I73 HydrophobicContact CE1-CD1 4.4Å; F29-I73 HydrophobicContact CE1-CG1 3.86Å; F29-I73 HydrophobicContact CE2-CD1 3.86Å; F29-I73 HydrophobicContact CE2-CG1 4.23Å; F29-I73 HydrophobicContact CG-CD1 3.71Å; F29-I73 HydrophobicContact CG-CG1 3.67Å; F29-I73 HydrophobicContact CG-CG2 4.31Å; F29-I73 HydrophobicContact CZ-CD1 4.26Å; F29-I73 HydrophobicContact CZ-CG1 4.16Å; F29-P77 WeakPolarHBondContact O-CA 3.49Å; F29-T78 PolarHBondContact N-O 3.37Å; F29-T78 PolarHBondContact O-N 2.82Å; F29-L80 HydrophobicContact CD2-CD1 4.36Å; F29-L80 HydrophobicContact CD2-CG 4.11Å; F29-L80 HydrophobicContact CE2-CB 4.2Å; F29-L80 HydrophobicContact CE2-CD1 3.65Å; F29-L80 HydrophobicContact CE2-CG 3.76Å; F29-L80 HydrophobicContact CZ-CD1 4.31Å
30T97.4Very high92.7Very high11 Ų1141.1 Ų41.17%0.06723%0.228CC..EExtended strand (participates in β ladder)trans-129.4172.5-173.5-169.60000111.1C37 E58 V59 D60 V61T30-C37 WeakPolarHBondContact OG1-CB 3.27Å; T30-E58 HydrophobicContact CG2-CG 3.72Å; T30-V59 PolarHBondContact N-O 2.88Å; T30-D60 HydrophobicContact CG2-CB 4.31Å; T30-D60 WeakPolarHBondContact O-CA 3.2Å; T30-V61 WeakPolarHBondContact O-CG2 3.39Å; T30-V61 PolarHBondContact O-N 3.09Å
31M95.4Very high93.1Very high77 Ų7742.2 Ų42.238%0.37924%0.235SC..  trans-145.5139176.4169.7177.8164.800109.7G33 C34 V61 H62 T76M31-G33 PolarHBondContact O-N 3.21Å; M31-C34 HydrophobicContact CB-CB 4.17Å; M31-C34 WeakPolarHBondContact O-CB 3.27Å; M31-C34 PolarHBondContact O-N 2.84Å; M31-C34 VanDerWaalsContact O-N 3.15Å; M31-V61 HydrophobicContact CB-CG2 4.01Å; M31-H62 WeakPolarHBondContact CE-CE1 3.22Å; M31-H62 WeakPolarHBondContact CG-CE1 3.48Å; M31-H62 PolarHBondContact SD-CE1 2.78Å; M31-T76 HydrophobicContact CB-CG2 4.17Å
32A90.1Very high93.8Very high71 Ų7144.8 Ų44.859%0.58725%0.246SC*.THydrogen-bonded Turntrans-52.1132.1169.800000112.6C34 D60A32-C34 VanDerWaalsContact C-N 3.25Å; A32-C34 PolarHBondContact O-N 2.81Å; A32-D60 PolarHBondContact N-OD2 2.79Å; A32-D60 VanDerWaalsContact N-OD2 3.12Å
33G88.9Confident94.7Very high75 Ų7544.8 Ų44.877%0.77325%0.247SC*.THydrogen-bonded Turntrans77.8-0.9179.900000115.5M31 R35M31-G33 PolarHBondContact O-N 3.21Å; G33-R35 PolarHBondContact O-N 2.92Å; G33-R35 VanDerWaalsContact O-N 3.12Å
34C92.4Very high95.2Very high15 Ų1541.3 Ų41.310%0.10123%0.234CC..  trans-70.3103.2175.1169.40000111.3M31 A32 C37 I38M31-C34 HydrophobicContact CB-CB 4.17Å; M31-C34 WeakPolarHBondContact O-CB 3.27Å; M31-C34 PolarHBondContact O-N 2.84Å; M31-C34 VanDerWaalsContact O-N 3.15Å; A32-C34 VanDerWaalsContact C-N 3.25Å; A32-C34 PolarHBondContact O-N 2.81Å; C34-C37 HydrophobicContact CB-CB 3.58Å; C34-C37 WeakPolarHBondContact CB-SG 3.46Å; C34-C37 WeakPolarHBondContact O-CB 3.4Å; C34-C37 PolarHBondContact O-N 2.78Å; C34-C37 VanDerWaalsContact O-N 3.1Å; C34-C37 WeakPolarHBondContact SG-CB 3.49Å; C34-C37 PolarHBondContact SG-N 2.91Å; C34-C37 CovalentContact SG-SG 2.05Å; C34-C37 PolarHBondContact SG-SG 3.4Å; C34-I38 WeakPolarHBondContact O-CG1 3.35Å; C34-I38 PolarHBondContact O-N 2.82Å
35R95.1Very high95.5Very high181 Ų18144.7 Ų44.768%0.68325%0.252SS*.Hα-helixtrans-56.4-44.4179.2-166.875.1174.8-169.31.5113.2G33 C37 I38 R39G33-R35 PolarHBondContact O-N 2.92Å; G33-R35 VanDerWaalsContact O-N 3.12Å; R35-C37 VanDerWaalsContact C-N 3.31Å; R35-C37 PolarHBondContact O-N 2.83Å; R35-I38 PolarHBondContact O-N 2.77Å; R35-R39 WeakPolarHBondContact O-CG 3.3Å; R35-R39 PolarHBondContact O-N 3Å; R35-R39 VanDerWaalsContact O-N 3.08Å
36P95.1Very high95.5Very high44 Ų4449.7 Ų49.729%0.28628%0.276SS..Hα-helixtrans-61.4-37.6175.1-2334.9000113R39 I40 A94P36-R39 PolarHBondContact O-N 2.83Å; P36-I40 PolarHBondContact O-N 3.32Å; P36-I40 VanDerWaalsContact O-N 3.17Å; P36-A94 HydrophobicContact CB-CB 3.68Å; P36-A94 VanDerWaalsContact O-CB 3.31Å; P36-A94 WeakPolarHBondContact O-CB 3.42Å
37C95.5Very high95.4Very high2 Ų249.8 Ų49.81%0.01428%0.276CS..Hα-helixtrans-63.6-44176.9-52.20000111.3T30 C34 R35 R39 I40 S41T30-C37 WeakPolarHBondContact OG1-CB 3.27Å; C34-C37 HydrophobicContact CB-CB 3.58Å; C34-C37 WeakPolarHBondContact CB-SG 3.46Å; C34-C37 WeakPolarHBondContact O-CB 3.4Å; C34-C37 PolarHBondContact O-N 2.78Å; C34-C37 VanDerWaalsContact O-N 3.1Å; C34-C37 WeakPolarHBondContact SG-CB 3.49Å; C34-C37 PolarHBondContact SG-N 2.91Å; C34-C37 CovalentContact SG-SG 2.05Å; C34-C37 PolarHBondContact SG-SG 3.4Å; R35-C37 VanDerWaalsContact C-N 3.31Å; R35-C37 PolarHBondContact O-N 2.83Å; C37-R39 VanDerWaalsContact C-N 3.29Å; C37-R39 PolarHBondContact O-N 2.88Å; C37-I40 WeakPolarHBondContact O-CG2 3.46Å; C37-I40 PolarHBondContact O-N 2.88Å; C37-S41 PolarHBondContact O-N 2.86Å; C37-S41 VanDerWaalsContact O-N 3.08Å; C37-S41 PolarHBondContact O-OG 2.86Å
38I94.4Very high95.3Very high99 Ų9949.8 Ų49.851%0.50828%0.277SS..Hα-helixtrans-59.8-40.7174.9-64.6167000111C34 R35 P42C34-I38 WeakPolarHBondContact O-CG1 3.35Å; C34-I38 PolarHBondContact O-N 2.82Å; R35-I38 PolarHBondContact O-N 2.77Å; I38-P42 WeakPolarHBondContact O-CD 3.31Å
39R95.4Very high95.1Very high159 Ų15953.2 Ų53.260%0.630%0.295SS*.Hα-helixtrans-64.6-39.7179.9-72.6-166.7-56.5-115.61.5113.3R35 P36 C37 P42R35-R39 WeakPolarHBondContact O-CG 3.3Å; R35-R39 PolarHBondContact O-N 3Å; R35-R39 VanDerWaalsContact O-N 3.08Å; P36-R39 PolarHBondContact O-N 2.83Å; C37-R39 VanDerWaalsContact C-N 3.29Å; C37-R39 PolarHBondContact O-N 2.88Å; R39-P42 WeakPolarHBondContact O-CD 3.46Å
40I97Very high94.8Very high3 Ų358.3 Ų58.32%0.01532%0.317CS..Hα-helixtrans-86.4-19.5-176.4-165.4152.8000113.5P36 C37 A43 F44 P77 F79 A94 L99P36-I40 PolarHBondContact O-N 3.32Å; P36-I40 VanDerWaalsContact O-N 3.17Å; C37-I40 WeakPolarHBondContact O-CG2 3.46Å; C37-I40 PolarHBondContact O-N 2.88Å; I40-A43 PolarHBondContact O-N 2.84Å; I40-A43 VanDerWaalsContact O-N 3.1Å; I40-F44 PolarHBondContact O-N 3.28Å; I40-P77 HydrophobicContact CG2-CB 4.21Å; I40-P77 HydrophobicContact CG2-CG 3.96Å; I40-F79 HydrophobicContact CD1-CE2 3.88Å; I40-F79 HydrophobicContact CD1-CZ 3.65Å; I40-F79 HydrophobicContact CG1-CZ 3.98Å; I40-F79 HydrophobicContact CG2-CZ 3.88Å; I40-A94 HydrophobicContact CB-CB 4.18Å; I40-A94 HydrophobicContact CG2-CB 4.43Å; I40-L99 HydrophobicContact CD1-CD2 3.9Å; I40-L99 HydrophobicContact CG1-CD2 4.37Å
41S95.1Very high94.6Very high26 Ų2658.7 Ų58.718%0.18232%0.318CS..Hα-helixtrans-52.9-42.8-179.6-74.20000115.2K28 C37 A43 F44 N45K28-S41 PolarHBondContact NZ-OG 2.64Å; C37-S41 PolarHBondContact O-N 2.86Å; C37-S41 VanDerWaalsContact O-N 3.08Å; C37-S41 PolarHBondContact O-OG 2.86Å; S41-A43 PolarHBondContact O-N 2.79Å; S41-F44 PolarHBondContact O-N 2.74Å; S41-N45 PolarHBondContact O-N 2.86Å; S41-N45 PolarHBondContact O-ND2 2.72Å
42P96.1Very high94.3Very high87 Ų8758.5 Ų58.557%0.56532%0.322SS*.Hα-helixtrans-61.5-42.1175.8-2434.6000113.1I38 R39 N45 M46I38-P42 WeakPolarHBondContact O-CD 3.31Å; R39-P42 WeakPolarHBondContact O-CD 3.46Å; P42-N45 PolarHBondContact O-N 3.4Å; P42-M46 WeakPolarHBondContact O-CB 3.3Å; P42-M46 PolarHBondContact O-N 3.07Å
43A96.6Very high94.2Very high17 Ų1759 Ų5914%0.1431%0.312CS..Hα-helixtrans-65.5-43.2176.800000111.2I40 S41 N45 M46 F47 A96I40-A43 PolarHBondContact O-N 2.84Å; I40-A43 VanDerWaalsContact O-N 3.1Å; S41-A43 PolarHBondContact O-N 2.79Å; A43-N45 PolarHBondContact O-N 2.87Å; A43-M46 CarbonylContact O-C 3.55Å; A43-M46 WeakPolarHBondContact O-CA 3.44Å; A43-M46 WeakPolarHBondContact O-CB 3.43Å; A43-M46 PolarHBondContact O-N 2.83Å; A43-M46 VanDerWaalsContact O-N 3.08Å; A43-F47 HydrophobicContact CB-CE2 4.16Å; A43-F47 HydrophobicContact CB-CZ 4.19Å; A43-F47 VanDerWaalsContact O-CD2 3.31Å; A43-F47 WeakPolarHBondContact O-CD2 3.39Å; A43-F47 WeakPolarHBondContact O-CG 3.37Å; A43-F47 PolarHBondContact O-N 2.99Å; A43-A96 HydrophobicContact CB-CB 3.67Å
44F97.3Very high94.4Very high0 Ų055.5 Ų55.50%028%0.276CS..Hα-helixtrans-61-41.7177.2-165.4-115.9000112.7V4 V26 K28 I40 S41 F47 S48 F56 F79 L99V4-F44 HydrophobicContact CB-CD1 4.49Å; V4-F44 HydrophobicContact CB-CE1 4.47Å; V4-F44 HydrophobicContact CG1-CD1 4.01Å; V4-F44 HydrophobicContact CG1-CE1 3.7Å; V4-F44 HydrophobicContact CG2-CD1 3.63Å; V4-F44 HydrophobicContact CG2-CE1 3.88Å; V26-F44 HydrophobicContact CB-CE2 4.42Å; V26-F44 HydrophobicContact CG1-CE2 3.81Å; V26-F44 HydrophobicContact CG1-CZ 4.26Å; K28-F44 HydrophobicContact CB-CD1 4.14Å; K28-F44 HydrophobicContact CB-CE1 3.6Å; K28-F44 HydrophobicContact CB-CE2 4.18Å; K28-F44 HydrophobicContact CB-CZ 3.62Å; K28-F44 HydrophobicContact CD-CD1 3.99Å; K28-F44 HydrophobicContact CD-CE1 4.33Å; K28-F44 HydrophobicContact CD-CG 4.21Å; I40-F44 PolarHBondContact O-N 3.28Å; S41-F44 PolarHBondContact O-N 2.74Å; F44-F47 PolarHBondContact O-N 2.85Å; F44-S48 PolarHBondContact O-N 3.29Å; F44-S48 VanDerWaalsContact O-N 3.08Å; F44-F56 AromaticContact CD2-CD1 3.99Å; F44-F56 HydrophobicContact CD2-CD1 3.99Å; F44-F56 HydrophobicContact CD2-CE1 4.26Å; F44-F56 HydrophobicContact CE1-CB 4.26Å; F44-F56 HydrophobicContact CE1-CD1 4.1Å; F44-F56 AromaticContact CE2-CD1 3.49Å; F44-F56 HydrophobicContact CE2-CD1 3.49Å; F44-F56 VanDerWaalsContact CE2-CD1 3.49Å; F44-F56 AromaticContact CE2-CE1 3.95Å; F44-F56 HydrophobicContact CE2-CE1 3.95Å; F44-F56 HydrophobicContact CZ-CB 4.22Å; F44-F56 AromaticContact CZ-CD1 3.56Å; F44-F56 HydrophobicContact CZ-CD1 3.56Å; F44-F56 HydrophobicContact CZ-CE1 4.44Å; F44-F56 HydrophobicContact CZ-CG 4.37Å; F44-F79 HydrophobicContact CD2-CD1 4.08Å; F44-F79 AromaticContact CD2-CE1 3.6Å; F44-F79 HydrophobicContact CD2-CE1 3.6Å; F44-F79 AromaticContact CE2-CD1 3.74Å; F44-F79 HydrophobicContact CE2-CD1 3.74Å; F44-F79 AromaticContact CE2-CE1 3.72Å; F44-F79 HydrophobicContact CE2-CE1 3.72Å; F44-F79 HydrophobicContact CG-CE1 4.22Å; F44-F79 HydrophobicContact CZ-CD1 4.42Å; F44-F79 HydrophobicContact CZ-CE1 4.44Å; F44-L99 HydrophobicContact CD2-CD2 4.07Å
45N95.6Very high94.5Very high71 Ų7155.8 Ų55.838%0.3828%0.277SS..Hα-helixtrans-65.4-36.9172.3-77.6-43.2000112.3V4 S41 P42 A43 F47 S48 N49V4-N45 WeakPolarHBondContact CG2-OD1 3.18Å; S41-N45 PolarHBondContact O-N 2.86Å; S41-N45 PolarHBondContact O-ND2 2.72Å; P42-N45 PolarHBondContact O-N 3.4Å; A43-N45 PolarHBondContact O-N 2.87Å; N45-F47 VanDerWaalsContact C-N 3.33Å; N45-S48 PolarHBondContact O-N 3.19Å; N45-S48 PolarHBondContact O-OG 2.9Å; N45-N49 PolarHBondContact O-N 3.08Å; N45-N49 PolarHBondContact O-ND2 2.89Å
46M95.8Very high94.6Very high105 Ų10547.3 Ų47.352%0.51725%0.245SC..Hα-helixtrans-63.9-41.3174-175.4-175.768.900110.9P42 A43 S48 N49 K50P42-M46 WeakPolarHBondContact O-CB 3.3Å; P42-M46 PolarHBondContact O-N 3.07Å; A43-M46 CarbonylContact O-C 3.55Å; A43-M46 WeakPolarHBondContact O-CA 3.44Å; A43-M46 WeakPolarHBondContact O-CB 3.43Å; A43-M46 PolarHBondContact O-N 2.83Å; A43-M46 VanDerWaalsContact O-N 3.08Å; M46-S48 VanDerWaalsContact C-N 3.35Å; M46-S48 PolarHBondContact O-N 3.25Å; M46-N49 PolarHBondContact O-N 2.78Å; M46-K50 PolarHBondContact O-N 3Å
47F96.6Very high94.8Very high2 Ų245.2 Ų45.21%0.00923%0.232CC..Hα-helixtrans-63.7-37.1177-58.8-30.2000112.5A43 F44 N45 N49 K50 Y51 F56 A96 L99 E100 I103A43-F47 HydrophobicContact CB-CE2 4.16Å; A43-F47 HydrophobicContact CB-CZ 4.19Å; A43-F47 VanDerWaalsContact O-CD2 3.31Å; A43-F47 WeakPolarHBondContact O-CD2 3.39Å; A43-F47 WeakPolarHBondContact O-CG 3.37Å; A43-F47 PolarHBondContact O-N 2.99Å; F44-F47 PolarHBondContact O-N 2.85Å; N45-F47 VanDerWaalsContact C-N 3.33Å; F47-N49 PolarHBondContact O-N 2.88Å; F47-K50 PolarHBondContact O-N 2.88Å; F47-K50 VanDerWaalsContact O-N 3.08Å; F47-Y51 HydrophobicContact CB-CD2 4.15Å; F47-Y51 HydrophobicContact CB-CE2 4.44Å; F47-Y51 HydrophobicContact CD1-CE2 4.32Å; F47-Y51 WeakPolarHBondContact O-CD2 3.09Å; F47-Y51 PolarHBondContact O-N 3.41Å; F47-F56 HydrophobicContact CB-CE1 3.74Å; F47-F56 HydrophobicContact CB-CZ 3.85Å; F47-A96 HydrophobicContact CZ-CB 4.32Å; F47-A96 WeakPolarHBondContact CZ-O 3.49Å; F47-L99 HydrophobicContact CD2-CD2 4.32Å; F47-L99 HydrophobicContact CE2-CD2 4.15Å; F47-L99 HydrophobicContact CE2-CG 4.34Å; F47-E100 HydrophobicContact CD1-CG 4.25Å; F47-E100 HydrophobicContact CE1-CB 3.9Å; F47-E100 HydrophobicContact CE1-CG 3.75Å; F47-E100 WeakPolarHBondContact CE1-OE2 3.13Å; F47-E100 HydrophobicContact CE2-CB 4.21Å; F47-E100 HydrophobicContact CZ-CB 3.63Å; F47-E100 HydrophobicContact CZ-CG 4.04Å; F47-I103 HydrophobicContact CB-CD1 4.2Å; F47-I103 HydrophobicContact CD2-CD1 3.85Å; F47-I103 HydrophobicContact CG-CD1 4.2Å
48S95.6Very high94.9Very high1 Ų147.2 Ų47.21%0.00724%0.24CC..Hα-helixtrans-60.9-29.9175.3860000113.5V2 F44 N45 M46 F56V2-S48 CarbonylContact O-C 3.45Å; V2-S48 WeakPolarHBondContact O-CB 3.33Å; V2-S48 PolarHBondContact O-OG 3.37Å; F44-S48 PolarHBondContact O-N 3.29Å; F44-S48 VanDerWaalsContact O-N 3.08Å; N45-S48 PolarHBondContact O-N 3.19Å; N45-S48 PolarHBondContact O-OG 2.9Å; M46-S48 VanDerWaalsContact C-N 3.35Å; M46-S48 PolarHBondContact O-N 3.25Å; S48-F56 VanDerWaalsContact CA-CD2 3.43Å; S48-F56 VanDerWaalsContact CA-CE2 3.44Å
49N92.9Very high95.1Very high72 Ų7242.5 Ų42.539%0.38522%0.216SC..Hα-helixtrans-82.5-34.8174.5-66.4-67.7000112.5M1 N45 M46 F47M1-N49 WeakPolarHBondContact CG-OD1 3.3Å; N45-N49 PolarHBondContact O-N 3.08Å; N45-N49 PolarHBondContact O-ND2 2.89Å; M46-N49 PolarHBondContact O-N 2.78Å; F47-N49 PolarHBondContact O-N 2.88Å
50K93.4Very high95.2Very high107 Ų10736.4 Ų36.447%0.46520%0.196SC..Hα-helixtrans-72.1-33.7179.9-172.6174.3-179.3177.20112.8M46 F47 P52 E100M46-K50 PolarHBondContact O-N 3Å; F47-K50 PolarHBondContact O-N 2.88Å; F47-K50 VanDerWaalsContact O-N 3.08Å; K50-P52 VanDerWaalsContact C-CD 3.42Å; K50-P52 VanDerWaalsContact O-CD 3.24Å; K50-P52 WeakPolarHBondContact O-CD 3.31Å; K50-E100 IonicContact NZ-OE1 3.91Å; K50-E100 PolarHBondContact NZ-OE1 3.12Å; K50-E100 IonicContact NZ-OE2 3.21Å
51Y92.8Very high95.2Very high19 Ų1937.4 Ų37.48%0.07520%0.202CC..  trans-11870.4-178.2-57.6-83.1000110.5F47 H53 V54 F56 E100 I103 K104 T107F47-Y51 HydrophobicContact CB-CD2 4.15Å; F47-Y51 HydrophobicContact CB-CE2 4.44Å; F47-Y51 HydrophobicContact CD1-CE2 4.32Å; F47-Y51 WeakPolarHBondContact O-CD2 3.09Å; F47-Y51 PolarHBondContact O-N 3.41Å; Y51-H53 PolarHBondContact O-N 3.16Å; Y51-H53 VanDerWaalsContact O-N 3.1Å; Y51-V54 PolarHBondContact O-N 2.85Å; Y51-F56 HydrophobicContact CD2-CZ 4.41Å; Y51-E100 HydrophobicContact CE2-CG 4.27Å; Y51-E100 PolarHBondContact OH-OE1 2.82Å; Y51-I103 HydrophobicContact CD1-CG2 4.11Å; Y51-I103 HydrophobicContact CD2-CG2 3.83Å; Y51-I103 HydrophobicContact CE1-CG2 4.19Å; Y51-I103 HydrophobicContact CE2-CG2 3.93Å; Y51-I103 HydrophobicContact CG-CG2 3.95Å; Y51-K104 HydrophobicContact CE1-CG 4.4Å; Y51-K104 VanDerWaalsContact OH-CE 3.24Å; Y51-K104 WeakPolarHBondContact OH-CE 3.25Å; Y51-K104 VanDerWaalsContact OH-CG 3.31Å; Y51-K104 WeakPolarHBondContact OH-CG 3.39Å; Y51-T107 HydrophobicContact CD1-CG2 4.26Å
52P89.6Confident95.1Very high73 Ų7340.9 Ų40.947%0.47422%0.215SC..THydrogen-bonded Turntrans-67.2-13.9-173.428.4-36.8000114.2V2 K50V2-P52 HydrophobicContact CG2-CB 4.18Å; K50-P52 VanDerWaalsContact C-CD 3.42Å; K50-P52 VanDerWaalsContact O-CD 3.24Å; K50-P52 WeakPolarHBondContact O-CD 3.31Å
53H86.4Confident95.1Very high81 Ų8140.9 Ų40.938%0.37521%0.213SC..THydrogen-bonded Turntrans-83.1-14.3173.954.1-83.7000112.8R23 Y51 T107 D110R23-H53 WeakPolarHBondContact CD-O 3.03Å; Y51-H53 PolarHBondContact O-N 3.16Å; Y51-H53 VanDerWaalsContact O-N 3.1Å; H53-T107 WeakPolarHBondContact NE2-CG2 3.33Å; H53-D110 IonicContact CD2-OD2 3.97Å
54V93.3Very high95.1Very high1 Ų140 Ų401%0.00621%0.206CC..SBendtrans-94.2139.8177.5177.70000109.9L24 V26 Y51 F56 T107L24-V54 HydrophobicContact CB-CG1 4.22Å; L24-V54 HydrophobicContact CB-CG2 4.2Å; L24-V54 HydrophobicContact CD2-CG1 4.14Å; L24-V54 HydrophobicContact CD2-CG2 4.16Å; L24-V54 HydrophobicContact CG-CG1 4.16Å; L24-V54 CarbonylContact O-C 3.52Å; L24-V54 WeakPolarHBondContact O-CA 3.48Å; L24-V54 WeakPolarHBondContact O-CG1 3.34Å; V26-V54 HydrophobicContact CG2-CG1 3.7Å; Y51-V54 PolarHBondContact O-N 2.85Å; V54-F56 HydrophobicContact CB-CD2 4.21Å; V54-F56 HydrophobicContact CB-CE2 3.54Å; V54-F56 HydrophobicContact CB-CZ 4.16Å; V54-F56 HydrophobicContact CG1-CD2 3.98Å; V54-F56 HydrophobicContact CG1-CE2 3.5Å; V54-F56 VanDerWaalsContact CG1-CE2 3.5Å; V54-F56 HydrophobicContact CG1-CZ 3.82Å; V54-F56 WeakPolarHBondContact O-CD2 3.28Å; V54-T107 HydrophobicContact CG2-CG2 3.34Å
55V95.5Very high95Very high22 Ų2246.4 Ų46.413%0.13324%0.236CC..EExtended strand (participates in β ladder)trans-89.1120.6175.1178.80000109.3A20 L24 A25 V26 L57A20-V55 HydrophobicContact CB-CB 4.17Å; A20-V55 HydrophobicContact CB-CG1 4.47Å; A20-V55 HydrophobicContact CB-CG2 3.86Å; L24-V55 PolarHBondContact O-N 2.76Å; A25-V55 CarbonylContact C-O 3.59Å; A25-V55 VanDerWaalsContact CA-O 3.27Å; A25-V55 WeakPolarHBondContact CA-O 3.37Å; A25-V55 HydrophobicContact CB-CB 4.21Å; V26-V55 PolarHBondContact N-O 2.87Å; V55-L57 HydrophobicContact CG1-CD2 3.79Å; V55-L57 HydrophobicContact CG1-CG 4.07Å
56F97.6Very high94.8Very high3 Ų345.1 Ų45.11%0.01324%0.24CC..EExtended strand (participates in β ladder)trans-105.5119.2178.3-70.6-101.5000110.3V4 K5 V26 F44 F47 S48 Y51 V54 I103V4-F56 HydrophobicContact CG2-CB 4.03Å; K5-F56 PolarHBondContact N-O 2.91Å; V26-F56 HydrophobicContact CB-CD1 4.35Å; V26-F56 HydrophobicContact CB-CE1 4.4Å; F44-F56 AromaticContact CD2-CD1 3.99Å; F44-F56 HydrophobicContact CD2-CD1 3.99Å; F44-F56 HydrophobicContact CD2-CE1 4.26Å; F44-F56 HydrophobicContact CE1-CB 4.26Å; F44-F56 HydrophobicContact CE1-CD1 4.1Å; F44-F56 AromaticContact CE2-CD1 3.49Å; F44-F56 HydrophobicContact CE2-CD1 3.49Å; F44-F56 VanDerWaalsContact CE2-CD1 3.49Å; F44-F56 AromaticContact CE2-CE1 3.95Å; F44-F56 HydrophobicContact CE2-CE1 3.95Å; F44-F56 HydrophobicContact CZ-CB 4.22Å; F44-F56 AromaticContact CZ-CD1 3.56Å; F44-F56 HydrophobicContact CZ-CD1 3.56Å; F44-F56 HydrophobicContact CZ-CE1 4.44Å; F44-F56 HydrophobicContact CZ-CG 4.37Å; F47-F56 HydrophobicContact CB-CE1 3.74Å; F47-F56 HydrophobicContact CB-CZ 3.85Å; S48-F56 VanDerWaalsContact CA-CD2 3.43Å; S48-F56 VanDerWaalsContact CA-CE2 3.44Å; Y51-F56 HydrophobicContact CD2-CZ 4.41Å; V54-F56 HydrophobicContact CB-CD2 4.21Å; V54-F56 HydrophobicContact CB-CE2 3.54Å; V54-F56 HydrophobicContact CB-CZ 4.16Å; V54-F56 HydrophobicContact CG1-CD2 3.98Å; V54-F56 HydrophobicContact CG1-CE2 3.5Å; V54-F56 VanDerWaalsContact CG1-CE2 3.5Å; V54-F56 HydrophobicContact CG1-CZ 3.82Å; V54-F56 WeakPolarHBondContact O-CD2 3.28Å; F56-I103 HydrophobicContact CE1-CD1 3.97Å; F56-I103 HydrophobicContact CZ-CD1 4.25Å
57L98Very high94.7Very high0 Ų040.5 Ų40.50%022%0.217CC..EExtended strand (participates in β ladder)trans-115.6148.3178.6-54.1-177.5000110.6K5 I7 E16 V26 V27 K28 V55K5-L57 HydrophobicContact CB-CD2 3.86Å; K5-L57 HydrophobicContact CD-CD2 4.45Å; K5-L57 HydrophobicContact CG-CD2 4.4Å; K5-L57 CarbonylContact O-C 3.48Å; K5-L57 VanDerWaalsContact O-CA 3.3Å; K5-L57 WeakPolarHBondContact O-CA 3.38Å; I7-L57 HydrophobicContact CD1-CD1 4.37Å; I7-L57 HydrophobicContact CD1-CD2 4.24Å; I7-L57 HydrophobicContact CG1-CB 4.41Å; E16-L57 HydrophobicContact CB-CD1 4.06Å; E16-L57 HydrophobicContact CB-CD2 4.34Å; V26-L57 PolarHBondContact O-N 2.78Å; V27-L57 WeakPolarHBondContact CA-O 3.45Å; V27-L57 HydrophobicContact CB-CB 4.46Å; V27-L57 HydrophobicContact CG1-CB 4.26Å; V27-L57 HydrophobicContact CG2-CB 4.16Å; V27-L57 HydrophobicContact CG2-CD1 4.11Å; V27-L57 HydrophobicContact CG2-CG 4.49Å; K28-L57 PolarHBondContact N-O 2.69Å; V55-L57 HydrophobicContact CG1-CD2 3.79Å; V55-L57 HydrophobicContact CG1-CG 4.07Å
58E97.9Very high94.5Very high43 Ų4340.8 Ų40.820%0.20122%0.22CC..EExtended strand (participates in β ladder)trans-124130.9171.6-178.7172.4131.500110V4 K5 V6 I7 K28 T30V4-E58 HydrophobicContact CG1-CB 3.69Å; K5-E58 PolarHBondContact O-N 3.44Å; V6-E58 HydrophobicContact CG2-CB 4.49Å; I7-E58 PolarHBondContact N-O 2.83Å; K28-E58 WeakPolarHBondContact CE-OE2 3.44Å; K28-E58 IonicContact NZ-OE2 2.63Å; K28-E58 PolarHBondContact NZ-OE2 3.32Å; K28-E58 WeakPolarHBondContact O-CA 3.38Å; T30-E58 HydrophobicContact CG2-CG 3.72Å
59V97.9Very high94.3Very high0 Ų043.1 Ų43.10%024%0.244CC..EExtended strand (participates in β ladder)trans-128.4118.3-178.2-178.90000108.4I7 F13 V27 K28 F29 T30 C64 T67I7-V59 HydrophobicContact CB-CG2 3.93Å; I7-V59 HydrophobicContact CG1-CG2 3.79Å; F13-V59 HydrophobicContact CD2-CG2 4.06Å; F13-V59 HydrophobicContact CE2-CG2 4.22Å; V27-V59 HydrophobicContact CG1-CB 4.41Å; V27-V59 HydrophobicContact CG1-CG2 3.57Å; K28-V59 PolarHBondContact O-N 2.89Å; F29-V59 CarbonylContact C-O 3.57Å; F29-V59 WeakPolarHBondContact CA-O 3.11Å; F29-V59 HydrophobicContact CD1-CB 3.87Å; F29-V59 HydrophobicContact CD1-CG1 3.87Å; F29-V59 HydrophobicContact CE1-CB 3.95Å; F29-V59 HydrophobicContact CE1-CG1 3.75Å; F29-V59 HydrophobicContact CE1-CG2 4.36Å; T30-V59 PolarHBondContact N-O 2.88Å; V59-C64 HydrophobicContact CG1-CB 3.58Å; V59-T67 HydrophobicContact CG1-CG2 4.43Å
60D97.4Very high93.9Very high32 Ų3241.9 Ų41.917%0.17124%0.244CC..EExtended strand (participates in β ladder)trans-80.8125.6169.8-174.2-67.5000109.9T30 A32 H62 V63 C64T30-D60 HydrophobicContact CG2-CB 4.31Å; T30-D60 WeakPolarHBondContact O-CA 3.2Å; A32-D60 PolarHBondContact N-OD2 2.79Å; A32-D60 VanDerWaalsContact N-OD2 3.12Å; D60-H62 PolarHBondContact O-N 3.25Å; D60-H62 WeakPolarHBondContact OD1-CA 3.43Å; D60-H62 WeakPolarHBondContact OD1-CB 3.38Å; D60-H62 IonicContact OD1-CG 2.77Å; D60-H62 PolarHBondContact OD1-N 2.85Å; D60-H62 IonicContact OD1-ND1 2.6Å; D60-V63 HydrophobicContact CB-CB 4.1Å; D60-V63 HydrophobicContact CB-CG2 3.87Å; D60-V63 PolarHBondContact O-N 3.4Å; D60-V63 PolarHBondContact OD1-N 3.47Å; D60-C64 PolarHBondContact O-N 3.17Å
61V96.9Very high93.8Very high24 Ų2436.9 Ų36.915%0.14522%0.222CC..THydrogen-bonded Turntrans-67.2-20.7-174.2-61.20000113.9F29 T30 M31 Q65 A68 I73 T76F29-V61 HydrophobicContact CB-CG1 4.1Å; F29-V61 HydrophobicContact CD1-CG1 4.18Å; T30-V61 WeakPolarHBondContact O-CG2 3.39Å; T30-V61 PolarHBondContact O-N 3.09Å; M31-V61 HydrophobicContact CB-CG2 4.01Å; V61-Q65 WeakPolarHBondContact O-CG 3.45Å; V61-A68 HydrophobicContact CB-CB 3.92Å; V61-A68 HydrophobicContact CG1-CB 3.94Å; V61-I73 HydrophobicContact CG1-CG2 3.94Å; V61-T76 HydrophobicContact CG1-CG2 3.82Å; V61-T76 HydrophobicContact CG2-CG2 4.19Å
62H94.6Very high93.7Very high99 Ų9941.4 Ų41.446%0.45825%0.248SC..THydrogen-bonded Turntrans-88-26.1175-60.7129.9000113M31 D60 Q65M31-H62 WeakPolarHBondContact CE-CE1 3.22Å; M31-H62 WeakPolarHBondContact CG-CE1 3.48Å; M31-H62 PolarHBondContact SD-CE1 2.78Å; D60-H62 PolarHBondContact O-N 3.25Å; D60-H62 WeakPolarHBondContact OD1-CA 3.43Å; D60-H62 WeakPolarHBondContact OD1-CB 3.38Å; D60-H62 IonicContact OD1-CG 2.77Å; D60-H62 PolarHBondContact OD1-N 2.85Å; D60-H62 IonicContact OD1-ND1 2.6Å; H62-Q65 WeakPolarHBondContact O-CG 3.39Å; H62-Q65 PolarHBondContact O-NE2 3.39Å; H62-Q65 VanDerWaalsContact O-NE2 3.08Å
63V96.1Very high93.9Very high86 Ų8639.3 Ų39.352%0.52123%0.233SC..THydrogen-bonded Turntrans-80.1-44.1176.1179.30000110.5G8 D60G8-V63 WeakPolarHBondContact O-CG1 3.16Å; D60-V63 HydrophobicContact CB-CB 4.1Å; D60-V63 HydrophobicContact CB-CG2 3.87Å; D60-V63 PolarHBondContact O-N 3.4Å; D60-V63 PolarHBondContact OD1-N 3.47Å
64C95.4Very high94.1Very high0 Ų040.6 Ų40.60%025%0.251CS..SBendtrans-112.762.2-178-59.30000110.9D10 V59 D60 G66 T67 A68D10-C64 WeakPolarHBondContact OD1-CA 3.19Å; D10-C64 WeakPolarHBondContact OD1-CB 3.4Å; V59-C64 HydrophobicContact CG1-CB 3.58Å; D60-C64 PolarHBondContact O-N 3.17Å; C64-G66 VanDerWaalsContact C-N 3.31Å; C64-G66 PolarHBondContact O-N 3.35Å; C64-T67 PolarHBondContact O-N 2.79Å; C64-A68 WeakPolarHBondContact O-CB 3.49Å; C64-A68 PolarHBondContact O-N 3.02Å
65Q95.2Very high94.1Very high134 Ų13442.2 Ų42.263%0.62626%0.264SS*.Hα-helixtrans-63.2-37.2-174.5-66.1177.325.100112.2V61 H62 A68 G69V61-Q65 WeakPolarHBondContact O-CG 3.45Å; H62-Q65 WeakPolarHBondContact O-CG 3.39Å; H62-Q65 PolarHBondContact O-NE2 3.39Å; H62-Q65 VanDerWaalsContact O-NE2 3.08Å; Q65-A68 PolarHBondContact O-N 2.76Å; Q65-G69 PolarHBondContact O-N 3.22Å
66G91.4Very high94.2Very high44 Ų4442.7 Ų42.745%0.45427%0.267SS..Hα-helixtrans-64.2-42.7177.900000111.8D10 C64 A70D10-G66 PolarHBondContact OD1-N 2.93Å; D10-G66 PolarHBondContact OD2-N 3.17Å; C64-G66 VanDerWaalsContact C-N 3.31Å; C64-G66 PolarHBondContact O-N 3.35Å; G66-A70 VanDerWaalsContact O-CB 3.23Å; G66-A70 WeakPolarHBondContact O-CB 3.46Å; G66-A70 PolarHBondContact O-N 3.34Å
67T93.9Very high94.1Very high7 Ų742.7 Ų42.74%0.04327%0.267CS..Hα-helixtrans-67.5-44.6177.8-57.90000111D10 F13 F29 V59 C64 A70 N71D10-T67 WeakPolarHBondContact OD1-CB 3.2Å; D10-T67 PolarHBondContact OD1-N 3.08Å; D10-T67 PolarHBondContact OD1-OG1 3.27Å; F13-T67 HydrophobicContact CB-CG2 3.98Å; F13-T67 HydrophobicContact CD1-CG2 3.47Å; F13-T67 VanDerWaalsContact CD1-CG2 3.47Å; F13-T67 HydrophobicContact CD2-CG2 3.85Å; F13-T67 HydrophobicContact CE1-CG2 3.86Å; F13-T67 HydrophobicContact CE2-CG2 4.21Å; F13-T67 HydrophobicContact CG-CG2 3.46Å; F13-T67 VanDerWaalsContact CG-CG2 3.46Å; F13-T67 HydrophobicContact CZ-CG2 4.22Å; F29-T67 HydrophobicContact CE1-CG2 4.09Å; F29-T67 HydrophobicContact CZ-CG2 4.28Å; V59-T67 HydrophobicContact CG1-CG2 4.43Å; C64-T67 PolarHBondContact O-N 2.79Å; T67-A70 PolarHBondContact O-N 3.43Å; T67-N71 WeakPolarHBondContact O-CB 3.24Å; T67-N71 PolarHBondContact O-N 3.4Å; T67-N71 PolarHBondContact O-ND2 2.88Å
68A92.9Very high94.2Very high9 Ų942.8 Ų42.87%0.07427%0.268CS..Hα-helixtrans-62.5-45176.800000111.5F29 V61 C64 Q65 N71 N72 I73F29-A68 HydrophobicContact CD1-CB 4.5Å; V61-A68 HydrophobicContact CB-CB 3.92Å; V61-A68 HydrophobicContact CG1-CB 3.94Å; C64-A68 WeakPolarHBondContact O-CB 3.49Å; C64-A68 PolarHBondContact O-N 3.02Å; Q65-A68 PolarHBondContact O-N 2.76Å; A68-N71 PolarHBondContact O-N 3.2Å; A68-N72 PolarHBondContact O-N 3.39Å; A68-I73 HydrophobicContact CB-CB 4.37Å; A68-I73 WeakPolarHBondContact O-CG1 3.4Å; A68-I73 PolarHBondContact O-N 3.34Å
69G91.1Very high94.2Very high49 Ų4940.7 Ų40.751%0.50526%0.258SS..Hα-helixtrans-62-47.9175.300000112.6Q65 N71 N72Q65-G69 PolarHBondContact O-N 3.22Å; G69-N71 PolarHBondContact O-N 3.03Å; G69-N72 PolarHBondContact O-N 2.75Å
70A85.2Confident94.1Very high47 Ų4740.7 Ų40.739%0.38826%0.258SS..Hα-helixtrans-62.1-28.3178.700000113.4G66 T67 M275G66-A70 VanDerWaalsContact O-CB 3.23Å; G66-A70 WeakPolarHBondContact O-CB 3.46Å; G66-A70 PolarHBondContact O-N 3.34Å; T67-A70 PolarHBondContact O-N 3.43Å; A70-M275 HydrophobicContact CB-CE 4.04Å
71N89.6Confident94Very high1 Ų139.2 Ų39.21%0.00525%0.25CC..THydrogen-bonded Turntrans-93.78.2177.3-76.5-74.9000113.7F29 T67 A68 G69 I73 L80 F82F29-N71 HydrophobicContact CZ-CB 3.95Å; T67-N71 WeakPolarHBondContact O-CB 3.24Å; T67-N71 PolarHBondContact O-N 3.4Å; T67-N71 PolarHBondContact O-ND2 2.88Å; A68-N71 PolarHBondContact O-N 3.2Å; G69-N71 PolarHBondContact O-N 3.03Å; N71-I73 VanDerWaalsContact C-N 3.27Å; N71-I73 HydrophobicContact CB-CD1 4.15Å; N71-I73 HydrophobicContact CB-CG1 4Å; N71-I73 PolarHBondContact O-N 3.46Å; N71-L80 HydrophobicContact CB-CD1 3.68Å; N71-F82 WeakPolarHBondContact OD1-CZ 3.22Å
72N90.9Very high93.8Very high115 Ų11538.2 Ų38.262%0.61524%0.244SC*.THydrogen-bonded Turntrans53.440.6179.6-58.7-66.3000113.4A68 G69 S74A68-N72 PolarHBondContact O-N 3.39Å; G69-N72 PolarHBondContact O-N 2.75Å; N72-S74 PolarHBondContact O-N 2.75Å
73I94.5Very high93.2Very high29 Ų2934.2 Ų34.215%0.14923%0.225CC..  trans-76.4112.5-179.7-55-60.4000109.7F29 V61 A68 N71 T78 L80F29-I73 HydrophobicContact CB-CD1 4.26Å; F29-I73 HydrophobicContact CB-CG1 4.25Å; F29-I73 HydrophobicContact CB-CG2 3.96Å; F29-I73 HydrophobicContact CD1-CD1 4.17Å; F29-I73 HydrophobicContact CD1-CG1 3.63Å; F29-I73 HydrophobicContact CD2-CD1 3.55Å; F29-I73 HydrophobicContact CD2-CG1 3.99Å; F29-I73 HydrophobicContact CE1-CD1 4.4Å; F29-I73 HydrophobicContact CE1-CG1 3.86Å; F29-I73 HydrophobicContact CE2-CD1 3.86Å; F29-I73 HydrophobicContact CE2-CG1 4.23Å; F29-I73 HydrophobicContact CG-CD1 3.71Å; F29-I73 HydrophobicContact CG-CG1 3.67Å; F29-I73 HydrophobicContact CG-CG2 4.31Å; F29-I73 HydrophobicContact CZ-CD1 4.26Å; F29-I73 HydrophobicContact CZ-CG1 4.16Å; V61-I73 HydrophobicContact CG1-CG2 3.94Å; A68-I73 HydrophobicContact CB-CB 4.37Å; A68-I73 WeakPolarHBondContact O-CG1 3.4Å; A68-I73 PolarHBondContact O-N 3.34Å; N71-I73 VanDerWaalsContact C-N 3.27Å; N71-I73 HydrophobicContact CB-CD1 4.15Å; N71-I73 HydrophobicContact CB-CG1 4Å; N71-I73 PolarHBondContact O-N 3.46Å; I73-T78 HydrophobicContact CD1-CG2 3.87Å; I73-L80 HydrophobicContact CD1-CD1 3.9Å; I73-L80 HydrophobicContact CD1-CD2 4.42Å; I73-L80 HydrophobicContact CD1-CG 4.13Å
74S90.3Very high92.5Very high108 Ų10831.9 Ų31.976%0.75521%0.209SC*.  trans-105.9-12.6-179.558.10000113.9N72N72-S74 PolarHBondContact O-N 2.75Å
75A94.3Very high91.9Very high34 Ų3437 Ų3728%0.28123%0.229SC..SBendtrans-154155.7-17900000111.5T78A75-T78 WeakPolarHBondContact O-CB 3.31Å; A75-T78 PolarHBondContact O-OG1 2.88Å
76T96.1Very high91.2Very high33 Ų3331.5 Ų31.520%0.20220%0.204CC..SBendtrans-126.5142.1176.759.80000111.1M31 V61M31-T76 HydrophobicContact CB-CG2 4.17Å; V61-T76 HydrophobicContact CG1-CG2 3.82Å; V61-T76 HydrophobicContact CG2-CG2 4.19Å
77P97.4Very high91Very high3 Ų333 Ų332%0.01920%0.196CC..SBendcis-78.3138.3-1.632-34.5000111.8F29 I40 F79 G93 A94F29-P77 WeakPolarHBondContact O-CA 3.49Å; I40-P77 HydrophobicContact CG2-CB 4.21Å; I40-P77 HydrophobicContact CG2-CG 3.96Å; P77-F79 HydrophobicContact CB-CE2 3.8Å; P77-F79 HydrophobicContact CB-CZ 4.07Å; P77-F79 HydrophobicContact CG-CE2 4.16Å; P77-G93 WeakPolarHBondContact CG-O 2.97Å; P77-G93 PolarHBondContact O-N 3.32Å; P77-A94 HydrophobicContact CG-CB 4.09Å
78T98.1Very high90.6Very high1 Ų133.3 Ų33.31%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-122.7136.1168.1-68.20000108F29 I73 A75 L80 Q90F29-T78 PolarHBondContact N-O 3.37Å; F29-T78 PolarHBondContact O-N 2.82Å; I73-T78 HydrophobicContact CD1-CG2 3.87Å; A75-T78 WeakPolarHBondContact O-CB 3.31Å; A75-T78 PolarHBondContact O-OG1 2.88Å; T78-L80 HydrophobicContact CG2-CD2 3.91Å; T78-L80 HydrophobicContact CG2-CG 4.47Å; T78-Q90 HydrophobicContact CG2-CG 4.1Å
79F98.2Very high90.4Very high0 Ų034.5 Ų34.50%020%0.203CC..EExtended strand (participates in β ladder)trans-113.4121.7-179.7-58.4-95.9000107.9V26 V27 K28 I40 F44 P77 F81 Q90 Y91 G93 L99V26-F79 HydrophobicContact CG1-CD1 4.45Å; V27-F79 VanDerWaalsContact O-CA 3.3Å; V27-F79 WeakPolarHBondContact O-CA 3.45Å; K28-F79 HydrophobicContact CB-CD1 3.81Å; K28-F79 HydrophobicContact CB-CE1 3.65Å; K28-F79 HydrophobicContact CD-CE1 3.68Å; K28-F79 HydrophobicContact CD-CZ 3.97Å; K28-F79 HydrophobicContact CG-CD1 3.99Å; K28-F79 HydrophobicContact CG-CE1 3.44Å; K28-F79 VanDerWaalsContact CG-CE1 3.44Å; K28-F79 HydrophobicContact CG-CZ 3.86Å; I40-F79 HydrophobicContact CD1-CE2 3.88Å; I40-F79 HydrophobicContact CD1-CZ 3.65Å; I40-F79 HydrophobicContact CG1-CZ 3.98Å; I40-F79 HydrophobicContact CG2-CZ 3.88Å; F44-F79 HydrophobicContact CD2-CD1 4.08Å; F44-F79 AromaticContact CD2-CE1 3.6Å; F44-F79 HydrophobicContact CD2-CE1 3.6Å; F44-F79 AromaticContact CE2-CD1 3.74Å; F44-F79 HydrophobicContact CE2-CD1 3.74Å; F44-F79 AromaticContact CE2-CE1 3.72Å; F44-F79 HydrophobicContact CE2-CE1 3.72Å; F44-F79 HydrophobicContact CG-CE1 4.22Å; F44-F79 HydrophobicContact CZ-CD1 4.42Å; F44-F79 HydrophobicContact CZ-CE1 4.44Å; P77-F79 HydrophobicContact CB-CE2 3.8Å; P77-F79 HydrophobicContact CB-CZ 4.07Å; P77-F79 HydrophobicContact CG-CE2 4.16Å; F79-F81 HydrophobicContact CB-CE2 4.22Å; F79-Q90 CarbonylContact O-C 3.57Å; F79-Q90 WeakPolarHBondContact O-CA 2.96Å; F79-Y91 AromaticContact CD2-CD1 3.85Å; F79-Y91 HydrophobicContact CD2-CD1 3.85Å; F79-Y91 HydrophobicContact CE2-CD1 4.41Å; F79-Y91 PolarHBondContact N-O 3.03Å; F79-Y91 PolarHBondContact O-N 3.28Å; F79-G93 WeakPolarHBondContact CE2-O 3.49Å; F79-L99 HydrophobicContact CB-CD1 3.87Å; F79-L99 HydrophobicContact CD1-CD1 3.82Å; F79-L99 HydrophobicContact CD1-CD2 3.73Å; F79-L99 HydrophobicContact CD1-CG 4.47Å; F79-L99 HydrophobicContact CD2-CD1 4.03Å; F79-L99 HydrophobicContact CD2-CD2 4.32Å; F79-L99 HydrophobicContact CE1-CD1 4.35Å; F79-L99 HydrophobicContact CE1-CD2 3.41Å; F79-L99 VanDerWaalsContact CE1-CD2 3.41Å; F79-L99 HydrophobicContact CE2-CD2 4.05Å; F79-L99 HydrophobicContact CG-CD1 3.62Å; F79-L99 HydrophobicContact CG-CD2 4.16Å; F79-L99 HydrophobicContact CZ-CD2 3.59Å
80L97.2Very high90.6Very high0 Ų035.6 Ų35.60%020%0.195CC..EExtended strand (participates in β ladder)trans-107.3134.8173.5-61.8-166.1000109.3V27 F29 N71 I73 T78 F82 Q90V27-L80 PolarHBondContact N-O 2.98Å; V27-L80 PolarHBondContact O-N 2.69Å; F29-L80 HydrophobicContact CD2-CD1 4.36Å; F29-L80 HydrophobicContact CD2-CG 4.11Å; F29-L80 HydrophobicContact CE2-CB 4.2Å; F29-L80 HydrophobicContact CE2-CD1 3.65Å; F29-L80 HydrophobicContact CE2-CG 3.76Å; F29-L80 HydrophobicContact CZ-CD1 4.31Å; N71-L80 HydrophobicContact CB-CD1 3.68Å; I73-L80 HydrophobicContact CD1-CD1 3.9Å; I73-L80 HydrophobicContact CD1-CD2 4.42Å; I73-L80 HydrophobicContact CD1-CG 4.13Å; T78-L80 HydrophobicContact CG2-CD2 3.91Å; T78-L80 HydrophobicContact CG2-CG 4.47Å; L80-F82 HydrophobicContact CB-CD2 4.15Å; L80-F82 HydrophobicContact CB-CE2 3.4Å; L80-F82 HydrophobicContact CB-CZ 3.97Å; L80-F82 HydrophobicContact CD1-CE2 4.19Å; L80-F82 HydrophobicContact CD1-CZ 3.97Å; L80-F82 HydrophobicContact CG-CE2 4.44Å; L80-Q90 HydrophobicContact CD2-CB 3.75Å; L80-Q90 HydrophobicContact CD2-CG 3.57Å
81F95.2Very high91Very high0 Ų035.2 Ų35.20%018%0.184CC..EExtended strand (participates in β ladder)trans-103.3129.3179-63.7-106.2000108.1L24 A25 V26 F79 R87 V88 D89 L99 K102 I103L24-F81 HydrophobicContact CD1-CB 4.24Å; L24-F81 HydrophobicContact CD1-CD1 4.25Å; L24-F81 HydrophobicContact CD2-CD1 4.3Å; A25-F81 CarbonylContact O-C 3.59Å; A25-F81 WeakPolarHBondContact O-CA 3.48Å; V26-F81 HydrophobicContact CG1-CD1 4.42Å; V26-F81 HydrophobicContact CG1-CE1 4.14Å; V26-F81 HydrophobicContact CG1-CZ 4.28Å; V26-F81 HydrophobicContact CG2-CD1 3.79Å; V26-F81 HydrophobicContact CG2-CE1 3.86Å; F79-F81 HydrophobicContact CB-CE2 4.22Å; F81-R87 CarbonylContact O-C 3.48Å; F81-R87 VanDerWaalsContact O-CA 3.31Å; F81-R87 WeakPolarHBondContact O-CA 3.5Å; F81-V88 HydrophobicContact CB-CG2 3.69Å; F81-V88 PolarHBondContact O-N 3.13Å; F81-D89 HydrophobicContact CB-CB 3.86Å; F81-D89 HydrophobicContact CD2-CB 3.86Å; F81-D89 HydrophobicContact CG-CB 3.98Å; F81-D89 PolarHBondContact N-O 3.06Å; F81-D89 PolarHBondContact O-N 3.46Å; F81-L99 HydrophobicContact CE2-CD1 4.42Å; F81-L99 HydrophobicContact CZ-CD1 3.85Å; F81-K102 HydrophobicContact CE1-CB 4.1Å; F81-K102 HydrophobicContact CE2-CB 4.23Å; F81-K102 HydrophobicContact CZ-CB 3.58Å; F81-I103 HydrophobicContact CE1-CG1 3.8Å; F81-I103 HydrophobicContact CZ-CG1 4.29Å
82F91.1Very high91.3Very high4 Ų440.3 Ų40.32%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-127.5142.8-179.5-65.9-93.3000111.2F13 L17 A25 V27 N71 L80 V86 R87F13-F82 HydrophobicContact CZ-CE2 4.24Å; F13-F82 HydrophobicContact CZ-CZ 4.24Å; L17-F82 HydrophobicContact CD1-CB 3.6Å; L17-F82 HydrophobicContact CD1-CD1 4.31Å; L17-F82 HydrophobicContact CD1-CD2 4.02Å; L17-F82 HydrophobicContact CD1-CG 3.75Å; L17-F82 HydrophobicContact CD2-CD1 3.85Å; L17-F82 HydrophobicContact CD2-CE1 4.14Å; L17-F82 HydrophobicContact CD2-CG 4.15Å; L17-F82 HydrophobicContact CG-CB 4.49Å; A25-F82 HydrophobicContact CB-CB 4.18Å; A25-F82 PolarHBondContact N-O 3.04Å; A25-F82 PolarHBondContact O-N 2.85Å; V27-F82 HydrophobicContact CB-CE2 4.2Å; V27-F82 HydrophobicContact CG2-CD2 3.67Å; V27-F82 HydrophobicContact CG2-CE2 3.69Å; N71-F82 WeakPolarHBondContact OD1-CZ 3.22Å; L80-F82 HydrophobicContact CB-CD2 4.15Å; L80-F82 HydrophobicContact CB-CE2 3.4Å; L80-F82 HydrophobicContact CB-CZ 3.97Å; L80-F82 HydrophobicContact CD1-CE2 4.19Å; L80-F82 HydrophobicContact CD1-CZ 3.97Å; L80-F82 HydrophobicContact CG-CE2 4.44Å; F82-V86 CarbonylContact C-O 3.54Å; F82-V86 WeakPolarHBondContact CA-O 3.35Å; F82-R87 HydrophobicContact CD1-CB 4.06Å; F82-R87 HydrophobicContact CE1-CB 3.81Å; F82-R87 HydrophobicContact CE1-CG 4.47Å; F82-R87 HydrophobicContact CZ-CB 4.43Å
83R83.7Confident91.5Very high14 Ų1436 Ų365%0.05319%0.191CC..EExtended strand (participates in β ladder)trans-137.8134.8166.6-177.8171.6-79.2159.74.9108.1S22 R85 V86 V88 H106 N109 D110 M124S22-R83 WeakPolarHBondContact O-CG 3.39Å; S22-R83 PolarHBondContact O-NE 3.42Å; R83-R85 PolarHBondContact O-N 3.01Å; R83-R85 VanDerWaalsContact O-N 3.08Å; R83-V86 PolarHBondContact N-O 2.83Å; R83-V86 WeakPolarHBondContact O-CB 3.37Å; R83-V86 PolarHBondContact O-N 2.77Å; R83-V88 HydrophobicContact CB-CG1 3.95Å; R83-H106 PolarHBondContact NH2-O 2.87Å; R83-N109 PolarHBondContact NH1-O 2.77Å; R83-D110 IonicContact CZ-OD1 3.34Å; R83-D110 VanDerWaalsContact CZ-OD1 3.25Å; R83-D110 IonicContact NE-OD1 3.03Å; R83-D110 PolarHBondContact NE-OD1 3.13Å; R83-D110 IonicContact NH2-OD1 2.63Å; R83-D110 PolarHBondContact NH2-OD1 3.13Å; R83-D110 IonicContact NH2-OD2 2.73Å; R83-M124 HydrophobicContact CB-CE 3.87Å; R83-M124 HydrophobicContact CG-CE 4.01Å
84N80.2Confident91.5Very high38 Ų3836.2 Ų36.220%0.20320%0.196CC..THydrogen-bonded Turntrans51.335-175.7-72.2-33.9000113.6G21 S22 V86 D116 M124G21-N84 WeakPolarHBondContact O-CA 3.18Å; G21-N84 PolarHBondContact O-N 2.95Å; G21-N84 PolarHBondContact O-OD1 2.57Å; G21-N84 VanDerWaalsContact O-OD1 3.11Å; S22-N84 VanDerWaalsContact CA-OD1 3.28Å; S22-N84 WeakPolarHBondContact CA-OD1 3.47Å; S22-N84 PolarHBondContact N-OD1 2.9Å; N84-V86 PolarHBondContact O-N 3.42Å; N84-D116 PolarHBondContact ND2-OD2 2.54Å; N84-M124 HydrophobicContact CB-CB 4.15Å
85R84.1Confident91.8Very high107 Ų10735 Ų3540%0.40418%0.181SC..THydrogen-bonded Turntrans66.28.9-175.7-52.3171.3-71.4-170.4-3.3115.5L17 R83L17-R85 HydrophobicContact CD2-CB 4.15Å; L17-R85 HydrophobicContact CD2-CG 4.4Å; L17-R85 HydrophobicContact CG-CB 4.33Å; L17-R85 HydrophobicContact CG-CG 4.13Å; R83-R85 PolarHBondContact O-N 3.01Å; R83-R85 VanDerWaalsContact O-N 3.08Å
86V80.2Confident91.9Very high18 Ų1834.9 Ų34.911%0.10918%0.181CC..EExtended strand (participates in β ladder)trans-99133.4175.3178.90000108.9F82 R83 N84 V88 M124 F129 P269 A272F82-V86 CarbonylContact C-O 3.54Å; F82-V86 WeakPolarHBondContact CA-O 3.35Å; R83-V86 PolarHBondContact N-O 2.83Å; R83-V86 WeakPolarHBondContact O-CB 3.37Å; R83-V86 PolarHBondContact O-N 2.77Å; N84-V86 PolarHBondContact O-N 3.42Å; V86-V88 PolarHBondContact O-N 2.81Å; V86-M124 HydrophobicContact CB-SD 3.73Å; V86-M124 HydrophobicContact CG1-SD 4.01Å; V86-M124 HydrophobicContact CG2-SD 3.84Å; V86-F129 HydrophobicContact CG1-CZ 4.35Å; V86-P269 HydrophobicContact CG1-CG 3.38Å; V86-A272 HydrophobicContact CG1-CB 4.39Å
87R87.8Confident91.9Very high75 Ų7536.5 Ų36.528%0.28320%0.198SC..EExtended strand (participates in β ladder)trans-69.5116.9173.4-174.8177.766.5173.83.6109.3F81 F82F81-R87 CarbonylContact O-C 3.48Å; F81-R87 VanDerWaalsContact O-CA 3.31Å; F81-R87 WeakPolarHBondContact O-CA 3.5Å; F82-R87 HydrophobicContact CD1-CB 4.06Å; F82-R87 HydrophobicContact CE1-CB 3.81Å; F82-R87 HydrophobicContact CE1-CG 4.47Å; F82-R87 HydrophobicContact CZ-CB 4.43Å
88V84.5Confident91.8Very high14 Ų1436.9 Ų36.99%0.08520%0.202CC..EExtended strand (participates in β ladder)trans-100-25.1-179.2-60.20000112.8L24 F81 R83 V86 M124 F129L24-V88 HydrophobicContact CD1-CG2 4.28Å; F81-V88 HydrophobicContact CB-CG2 3.69Å; F81-V88 PolarHBondContact O-N 3.13Å; R83-V88 HydrophobicContact CB-CG1 3.95Å; V86-V88 PolarHBondContact O-N 2.81Å; V88-M124 HydrophobicContact CG1-CE 3.9Å; V88-F129 HydrophobicContact CB-CE1 4.47Å; V88-F129 HydrophobicContact CB-CZ 4.36Å; V88-F129 HydrophobicContact CG1-CE1 4.43Å; V88-F129 HydrophobicContact CG1-CE2 4.47Å; V88-F129 HydrophobicContact CG1-CZ 3.84Å
89D89.1Confident91.7Very high34 Ų3436.9 Ų36.918%0.18220%0.202CC..EExtended strand (participates in β ladder)trans-159.7168.6179.1-151.2-18.5000111.5F81 K102 H106F81-D89 HydrophobicContact CB-CB 3.86Å; F81-D89 HydrophobicContact CD2-CB 3.86Å; F81-D89 HydrophobicContact CG-CB 3.98Å; F81-D89 PolarHBondContact N-O 3.06Å; F81-D89 PolarHBondContact O-N 3.46Å; D89-K102 IonicContact OD1-NZ 3.95Å; D89-K102 WeakPolarHBondContact OD2-CD 3.24Å; D89-K102 WeakPolarHBondContact OD2-CE 3.32Å; D89-K102 IonicContact OD2-NZ 3.9Å; D89-K102 PolarHBondContact OD2-NZ 2.86Å; D89-H106 VanDerWaalsContact CB-NE2 3.28Å; D89-H106 WeakPolarHBondContact CB-NE2 3.38Å; D89-H106 IonicContact OD2-CD2 3.25Å; D89-H106 IonicContact OD2-CE1 3.47Å; D89-H106 IonicContact OD2-NE2 2.74Å; D89-H106 PolarHBondContact OD2-NE2 3.24Å
90Q94.1Very high91.6Very high73 Ų7338.4 Ų38.434%0.34121%0.209SC..EExtended strand (participates in β ladder)trans-143.2138.5175171.6170.4-11.700110.3T78 F79 L80T78-Q90 HydrophobicContact CG2-CG 4.1Å; F79-Q90 CarbonylContact O-C 3.57Å; F79-Q90 WeakPolarHBondContact O-CA 2.96Å; L80-Q90 HydrophobicContact CD2-CB 3.75Å; L80-Q90 HydrophobicContact CD2-CG 3.57Å
91Y95.4Very high91.4Very high38 Ų3845 Ų4515%0.14924%0.24CC..EExtended strand (participates in β ladder)trans-131.6136172.6-178.5-94.1000109.8F79 D95 L99 K102F79-Y91 AromaticContact CD2-CD1 3.85Å; F79-Y91 HydrophobicContact CD2-CD1 3.85Å; F79-Y91 HydrophobicContact CE2-CD1 4.41Å; F79-Y91 PolarHBondContact N-O 3.03Å; F79-Y91 PolarHBondContact O-N 3.28Å; Y91-D95 VanDerWaalsContact OH-CB 3.26Å; Y91-D95 WeakPolarHBondContact OH-CB 3.33Å; Y91-D95 PolarHBondContact OH-O 2.77Å; Y91-D95 VanDerWaalsContact OH-O 3.13Å; Y91-D95 PolarHBondContact OH-OD2 3.29Å; Y91-L99 HydrophobicContact CD1-CB 4.1Å; Y91-L99 HydrophobicContact CD1-CD1 3.97Å; Y91-L99 HydrophobicContact CE1-CB 3.94Å; Y91-L99 HydrophobicContact CG-CD1 4.39Å; Y91-K102 HydrophobicContact CD2-CG 4.15Å
92Q96Very high91.2Very high109 Ų10947.6 Ų47.651%0.50925%0.251SS..EExtended strand (participates in β ladder)trans-125.1134.9-178.4-177.3-177-17.600110.2
93G94.1Very high91.3Very high25 Ų2547.4 Ų47.426%0.25825%0.25SS..SBendtrans114.5174.2178.300000113.6P77 F79P77-G93 WeakPolarHBondContact CG-O 2.97Å; P77-G93 PolarHBondContact O-N 3.32Å; F79-G93 WeakPolarHBondContact CE2-O 3.49Å
94A95Very high91.5Very high32 Ų3250.7 Ų50.726%0.26427%0.265SS..SBendtrans-109.335.5-171.400000112.9P36 I40 P77P36-A94 HydrophobicContact CB-CB 3.68Å; P36-A94 VanDerWaalsContact O-CB 3.31Å; P36-A94 WeakPolarHBondContact O-CB 3.42Å; I40-A94 HydrophobicContact CB-CB 4.18Å; I40-A94 HydrophobicContact CG2-CB 4.43Å; P77-A94 HydrophobicContact CG-CB 4.09Å
95D95.6Very high91.6Very high82 Ų8253.2 Ų53.244%0.43928%0.276SS..  trans-95118170.1163.844.8000110Y91 A97 G98 L99Y91-D95 VanDerWaalsContact OH-CB 3.26Å; Y91-D95 WeakPolarHBondContact OH-CB 3.33Å; Y91-D95 PolarHBondContact OH-O 2.77Å; Y91-D95 VanDerWaalsContact OH-O 3.13Å; Y91-D95 PolarHBondContact OH-OD2 3.29Å; D95-A97 PolarHBondContact OD1-N 3.13Å; D95-A97 VanDerWaalsContact OD1-N 3.12Å; D95-G98 WeakPolarHBondContact OD2-CA 3.19Å; D95-G98 PolarHBondContact OD2-N 2.83Å; D95-L99 WeakPolarHBondContact O-CB 3.17Å; D95-L99 PolarHBondContact O-N 3.08Å
96A96.1Very high91.6Very high33 Ų3348.4 Ų48.427%0.27326%0.258SS..Hα-helixtrans-75-31.1-175.800000112.2A43 F47 E100A43-A96 HydrophobicContact CB-CB 3.67Å; F47-A96 HydrophobicContact CZ-CB 4.32Å; F47-A96 WeakPolarHBondContact CZ-O 3.49Å; A96-E100 WeakPolarHBondContact O-CB 3.42Å; A96-E100 PolarHBondContact O-N 3.21Å
97A96.1Very high91.6Very high67 Ų6748.6 Ų48.655%0.55426%0.259SS*.Hα-helixtrans-69.6-50.3-177.600000110.7D95 L99 E100 E101D95-A97 PolarHBondContact OD1-N 3.13Å; D95-A97 VanDerWaalsContact OD1-N 3.12Å; A97-L99 VanDerWaalsContact C-N 3.3Å; A97-L99 PolarHBondContact O-N 3.03Å; A97-E100 PolarHBondContact O-N 2.85Å; A97-E101 PolarHBondContact O-N 3.09Å
98G95.3Very high90.7Very high11 Ų1152.2 Ų52.211%0.11328%0.279CS..Hα-helixtrans-63.2-34.9175.800000113.1D95 E101 K102D95-G98 WeakPolarHBondContact OD2-CA 3.19Å; D95-G98 PolarHBondContact OD2-N 2.83Å; G98-E101 PolarHBondContact O-N 2.77Å; G98-K102 WeakPolarHBondContact O-CG 3.25Å; G98-K102 PolarHBondContact O-N 2.77Å; G98-K102 VanDerWaalsContact O-N 3.13Å
99L97.3Very high89.3Confident0 Ų053.9 Ų53.90%029%0.287CS..Hα-helixtrans-64.3-43.9173.1179.963.1000111.9I40 F44 F47 F79 F81 Y91 D95 A97 K102 I103I40-L99 HydrophobicContact CD1-CD2 3.9Å; I40-L99 HydrophobicContact CG1-CD2 4.37Å; F44-L99 HydrophobicContact CD2-CD2 4.07Å; F47-L99 HydrophobicContact CD2-CD2 4.32Å; F47-L99 HydrophobicContact CE2-CD2 4.15Å; F47-L99 HydrophobicContact CE2-CG 4.34Å; F79-L99 HydrophobicContact CB-CD1 3.87Å; F79-L99 HydrophobicContact CD1-CD1 3.82Å; F79-L99 HydrophobicContact CD1-CD2 3.73Å; F79-L99 HydrophobicContact CD1-CG 4.47Å; F79-L99 HydrophobicContact CD2-CD1 4.03Å; F79-L99 HydrophobicContact CD2-CD2 4.32Å; F79-L99 HydrophobicContact CE1-CD1 4.35Å; F79-L99 HydrophobicContact CE1-CD2 3.41Å; F79-L99 VanDerWaalsContact CE1-CD2 3.41Å; F79-L99 HydrophobicContact CE2-CD2 4.05Å; F79-L99 HydrophobicContact CG-CD1 3.62Å; F79-L99 HydrophobicContact CG-CD2 4.16Å; F79-L99 HydrophobicContact CZ-CD2 3.59Å; F81-L99 HydrophobicContact CE2-CD1 4.42Å; F81-L99 HydrophobicContact CZ-CD1 3.85Å; Y91-L99 HydrophobicContact CD1-CB 4.1Å; Y91-L99 HydrophobicContact CD1-CD1 3.97Å; Y91-L99 HydrophobicContact CE1-CB 3.94Å; Y91-L99 HydrophobicContact CG-CD1 4.39Å; D95-L99 WeakPolarHBondContact O-CB 3.17Å; D95-L99 PolarHBondContact O-N 3.08Å; A97-L99 VanDerWaalsContact C-N 3.3Å; A97-L99 PolarHBondContact O-N 3.03Å; L99-K102 PolarHBondContact O-N 3.02Å; L99-I103 HydrophobicContact CG-CD1 4.16Å; L99-I103 WeakPolarHBondContact O-CG1 3.29Å; L99-I103 PolarHBondContact O-N 3.37Å
100E96.1Very high87.4Confident33 Ų3353.7 Ų53.715%0.15429%0.286CS..Hα-helixtrans-64.8-40178.3-164.9-174.7151.100111.8F47 K50 Y51 A96 A97 K102 I103 K104F47-E100 HydrophobicContact CD1-CG 4.25Å; F47-E100 HydrophobicContact CE1-CB 3.9Å; F47-E100 HydrophobicContact CE1-CG 3.75Å; F47-E100 WeakPolarHBondContact CE1-OE2 3.13Å; F47-E100 HydrophobicContact CE2-CB 4.21Å; F47-E100 HydrophobicContact CZ-CB 3.63Å; F47-E100 HydrophobicContact CZ-CG 4.04Å; K50-E100 IonicContact NZ-OE1 3.91Å; K50-E100 PolarHBondContact NZ-OE1 3.12Å; K50-E100 IonicContact NZ-OE2 3.21Å; Y51-E100 HydrophobicContact CE2-CG 4.27Å; Y51-E100 PolarHBondContact OH-OE1 2.82Å; A96-E100 WeakPolarHBondContact O-CB 3.42Å; A96-E100 PolarHBondContact O-N 3.21Å; A97-E100 PolarHBondContact O-N 2.85Å; E100-K102 VanDerWaalsContact C-N 3.33Å; E100-K102 PolarHBondContact O-N 2.71Å; E100-I103 PolarHBondContact O-N 3.04Å; E100-K104 WeakPolarHBondContact O-CG 3.47Å; E100-K104 PolarHBondContact O-N 3.47Å; E100-K104 WeakPolarHBondContact OE1-CE 3.3Å; E100-K104 IonicContact OE1-NZ 3.93Å; E100-K104 PolarHBondContact OE1-NZ 3.06Å
101E92Very high85.2Confident137 Ų13752.3 Ų52.364%0.6428%0.284SS*.Hα-helixtrans-58.6-44.9175.3-175.7175.1-15700111.4A97 G98 I103 K104 Q105A97-E101 PolarHBondContact O-N 3.09Å; G98-E101 PolarHBondContact O-N 2.77Å; E101-I103 PolarHBondContact O-N 2.6Å; E101-K104 PolarHBondContact O-N 3.33Å; E101-Q105 WeakPolarHBondContact O-CB 3.45Å; E101-Q105 PolarHBondContact O-N 2.9Å
102K90.9Very high82.8Confident56 Ų5652.2 Ų52.224%0.24329%0.294CS..Hα-helixtrans-61.9-42.5173.2-73.8-62.3-163.5167.80112.6F81 D89 Y91 G98 L99 E100 K104 Q105 H106F81-K102 HydrophobicContact CE1-CB 4.1Å; F81-K102 HydrophobicContact CE2-CB 4.23Å; F81-K102 HydrophobicContact CZ-CB 3.58Å; D89-K102 IonicContact OD1-NZ 3.95Å; D89-K102 WeakPolarHBondContact OD2-CD 3.24Å; D89-K102 WeakPolarHBondContact OD2-CE 3.32Å; D89-K102 IonicContact OD2-NZ 3.9Å; D89-K102 PolarHBondContact OD2-NZ 2.86Å; Y91-K102 HydrophobicContact CD2-CG 4.15Å; G98-K102 WeakPolarHBondContact O-CG 3.25Å; G98-K102 PolarHBondContact O-N 2.77Å; G98-K102 VanDerWaalsContact O-N 3.13Å; L99-K102 PolarHBondContact O-N 3.02Å; E100-K102 VanDerWaalsContact C-N 3.33Å; E100-K102 PolarHBondContact O-N 2.71Å; K102-K104 PolarHBondContact O-N 3.22Å; K102-Q105 PolarHBondContact O-N 2.83Å; K102-H106 PolarHBondContact O-CD2 2.86Å; K102-H106 PolarHBondContact O-N 3.17Å; K102-H106 VanDerWaalsContact O-N 3.17Å
103I93.7Very high80.2Confident0 Ų052.4 Ų52.40%030%0.299CS..Hα-helixtrans-59.4-48.9175.1-67166.7000109.9V26 F47 Y51 F56 F81 L99 E100 E101 Q105 H106 T107V26-I103 HydrophobicContact CG2-CG1 4.29Å; F47-I103 HydrophobicContact CB-CD1 4.2Å; F47-I103 HydrophobicContact CD2-CD1 3.85Å; F47-I103 HydrophobicContact CG-CD1 4.2Å; Y51-I103 HydrophobicContact CD1-CG2 4.11Å; Y51-I103 HydrophobicContact CD2-CG2 3.83Å; Y51-I103 HydrophobicContact CE1-CG2 4.19Å; Y51-I103 HydrophobicContact CE2-CG2 3.93Å; Y51-I103 HydrophobicContact CG-CG2 3.95Å; F56-I103 HydrophobicContact CE1-CD1 3.97Å; F56-I103 HydrophobicContact CZ-CD1 4.25Å; F81-I103 HydrophobicContact CE1-CG1 3.8Å; F81-I103 HydrophobicContact CZ-CG1 4.29Å; L99-I103 HydrophobicContact CG-CD1 4.16Å; L99-I103 WeakPolarHBondContact O-CG1 3.29Å; L99-I103 PolarHBondContact O-N 3.37Å; E100-I103 PolarHBondContact O-N 3.04Å; E101-I103 PolarHBondContact O-N 2.6Å; I103-Q105 PolarHBondContact O-N 2.92Å; I103-H106 PolarHBondContact O-N 3.46Å; I103-H106 VanDerWaalsContact O-N 3.16Å; I103-T107 HydrophobicContact CG2-CG2 4.07Å; I103-T107 WeakPolarHBondContact O-CG2 3.46Å; I103-T107 PolarHBondContact O-N 3.13Å; I103-T107 PolarHBondContact O-OG1 3.11Å; I103-T107 VanDerWaalsContact O-OG1 3.06Å
104K88.8Confident77.7Confident82 Ų8258.4 Ų58.436%0.35733%0.325SS..Hα-helixtrans-56.3-49.8177.7-73.2176.9-175.8168.90112.1Y51 E100 E101 K102 H106 T107 E108Y51-K104 HydrophobicContact CE1-CG 4.4Å; Y51-K104 VanDerWaalsContact OH-CE 3.24Å; Y51-K104 WeakPolarHBondContact OH-CE 3.25Å; Y51-K104 VanDerWaalsContact OH-CG 3.31Å; Y51-K104 WeakPolarHBondContact OH-CG 3.39Å; E100-K104 WeakPolarHBondContact O-CG 3.47Å; E100-K104 PolarHBondContact O-N 3.47Å; E100-K104 WeakPolarHBondContact OE1-CE 3.3Å; E100-K104 IonicContact OE1-NZ 3.93Å; E100-K104 PolarHBondContact OE1-NZ 3.06Å; E101-K104 PolarHBondContact O-N 3.33Å; K102-K104 PolarHBondContact O-N 3.22Å; K104-H106 PolarHBondContact O-N 2.83Å; K104-T107 VanDerWaalsContact CA-OG1 3.28Å; K104-T107 WeakPolarHBondContact CA-OG1 3.25Å; K104-T107 PolarHBondContact O-N 3.26Å; K104-T107 PolarHBondContact O-OG1 3.13Å; K104-E108 WeakPolarHBondContact O-CB 3.18Å; K104-E108 WeakPolarHBondContact O-CG 3.49Å; K104-E108 PolarHBondContact O-N 2.77Å
105Q82.4Confident75.5Confident92 Ų9260 Ų6043%0.4333%0.327SS..Hα-helixtrans-52.7-40.3178.3-175.5-179.214.200112.1E101 K102 I103 N109E101-Q105 WeakPolarHBondContact O-CB 3.45Å; E101-Q105 PolarHBondContact O-N 2.9Å; K102-Q105 PolarHBondContact O-N 2.83Å; I103-Q105 PolarHBondContact O-N 2.92Å; Q105-N109 PolarHBondContact O-ND2 3.04Å
106H82.4Confident73.4Confident6 Ų657.7 Ų57.73%0.02831%0.314CS..Hα-helixtrans-89-16.2-179-71-69.9000114L24 R83 D89 K102 I103 K104L24-H106 HydrophobicContact CD1-CB 3.86Å; L24-H106 HydrophobicContact CD2-CB 3.62Å; L24-H106 HydrophobicContact CG-CB 4.37Å; R83-H106 PolarHBondContact NH2-O 2.87Å; D89-H106 VanDerWaalsContact CB-NE2 3.28Å; D89-H106 WeakPolarHBondContact CB-NE2 3.38Å; D89-H106 IonicContact OD2-CD2 3.25Å; D89-H106 IonicContact OD2-CE1 3.47Å; D89-H106 IonicContact OD2-NE2 2.74Å; D89-H106 PolarHBondContact OD2-NE2 3.24Å; K102-H106 PolarHBondContact O-CD2 2.86Å; K102-H106 PolarHBondContact O-N 3.17Å; K102-H106 VanDerWaalsContact O-N 3.17Å; I103-H106 PolarHBondContact O-N 3.46Å; I103-H106 VanDerWaalsContact O-N 3.16Å; K104-H106 PolarHBondContact O-N 2.83Å
107T82Confident71.5Confident21 Ų2160.7 Ų60.713%0.12933%0.334CS..Hα-helixtrans-87.7-32.2173.153.50000113.8L24 Y51 H53 V54 I103 K104 N109 D110L24-T107 HydrophobicContact CD2-CG2 4Å; Y51-T107 HydrophobicContact CD1-CG2 4.26Å; H53-T107 WeakPolarHBondContact NE2-CG2 3.33Å; V54-T107 HydrophobicContact CG2-CG2 3.34Å; I103-T107 HydrophobicContact CG2-CG2 4.07Å; I103-T107 WeakPolarHBondContact O-CG2 3.46Å; I103-T107 PolarHBondContact O-N 3.13Å; I103-T107 PolarHBondContact O-OG1 3.11Å; I103-T107 VanDerWaalsContact O-OG1 3.06Å; K104-T107 VanDerWaalsContact CA-OG1 3.28Å; K104-T107 WeakPolarHBondContact CA-OG1 3.25Å; K104-T107 PolarHBondContact O-N 3.26Å; K104-T107 PolarHBondContact O-OG1 3.13Å; T107-N109 PolarHBondContact O-N 2.87Å; T107-D110 WeakPolarHBondContact O-CB 3.45Å; T107-D110 PolarHBondContact O-N 2.79Å
108E67.4Low70Confident151 Ų15160.2 Ų60.271%0.70632%0.322SS*.Hα-helixtrans-67.6-24.9176.3-72.7170.518000111.5K104K104-E108 WeakPolarHBondContact O-CB 3.18Å; K104-E108 WeakPolarHBondContact O-CG 3.49Å; K104-E108 PolarHBondContact O-N 2.77Å
109N55.3Low69.2Low50 Ų5060.7 Ų60.727%0.26732%0.322SS..THydrogen-bonded Turntrans-96.221.2172-61-60.6000112.5R83 Q105 T107R83-N109 PolarHBondContact NH1-O 2.77Å; Q105-N109 PolarHBondContact O-ND2 3.04Å; T107-N109 PolarHBondContact O-N 2.87Å
110D50.5Low68.1Low29 Ų2963.2 Ų63.216%0.15534%0.338CS..  trans-95.5112179.1-156.324000109.9H53 R83 T107 G112H53-D110 IonicContact CD2-OD2 3.97Å; R83-D110 IonicContact CZ-OD1 3.34Å; R83-D110 VanDerWaalsContact CZ-OD1 3.25Å; R83-D110 IonicContact NE-OD1 3.03Å; R83-D110 PolarHBondContact NE-OD1 3.13Å; R83-D110 IonicContact NH2-OD1 2.63Å; R83-D110 PolarHBondContact NH2-OD1 3.13Å; R83-D110 IonicContact NH2-OD2 2.73Å; T107-D110 WeakPolarHBondContact O-CB 3.45Å; T107-D110 PolarHBondContact O-N 2.79Å; D110-G112 PolarHBondContact O-N 2.78Å
111P47.8Very low67Low44 Ų4471.8 Ų71.829%0.28637%0.374SS..  trans-71.511.5-17623.4-25.2000114.2E115P111-E115 HydrophobicContact CB-CB 4.21Å; P111-E115 WeakPolarHBondContact O-CG 3.3Å
112G43.2Very low66.1Low36 Ų3667.8 Ų67.837%0.37137%0.37SS..  trans69.9158.6-177.500000112.3D110 N114D110-G112 PolarHBondContact O-N 2.78Å; G112-N114 PolarHBondContact O-N 2.75Å
113N41.3Very low65.7Low113 Ų11367.9 Ų67.960%0.60437%0.369SS*.THydrogen-bonded Turntrans-65.111.1-166.6-132.915000115.8R23R23-N113 WeakPolarHBondContact CD-OD1 3.44Å; R23-N113 VanDerWaalsContact CG-OD1 3.25Å; R23-N113 WeakPolarHBondContact CG-OD1 3.48Å
114N42.8Very low65.3Low151 Ų15167.9 Ų67.981%0.80737%0.369SS*.THydrogen-bonded Turntrans-122.6-5.6-170.2-91.8-16.1000115.6G112G112-N114 PolarHBondContact O-N 2.75Å
115E48.1Very low65.3Low66 Ų6665 Ų6531%0.30836%0.358SS..SBendtrans-109.2-5.7-168.8-55.8-155.3149.900115.7P111 K152P111-E115 HydrophobicContact CB-CB 4.21Å; P111-E115 WeakPolarHBondContact O-CG 3.3Å; E115-K152 IonicContact OE1-NZ 3.43Å; E115-K152 PolarHBondContact OE1-NZ 3.06Å; E115-K152 WeakPolarHBondContact OE2-CD 3.41Å; E115-K152 IonicContact OE2-NZ 3.4Å; E115-K152 PolarHBondContact OE2-NZ 2.81Å
116D52.5Low65.7Low33 Ų3360.6 Ų60.618%0.17634%0.337CS..THydrogen-bonded Turntrans-91.36.5-179.5-110.422.7000113.1S22 N84 D118 I119S22-D116 WeakPolarHBondContact CB-OD2 3.32Å; N84-D116 PolarHBondContact ND2-OD2 2.54Å; D116-D118 PolarHBondContact O-N 2.8Å; D116-I119 PolarHBondContact O-N 2.81Å; D116-I119 WeakPolarHBondContact OD1-CD1 3.38Å
117S55.3Low66.1Low97 Ų9761.1 Ų61.168%0.67834%0.34SS*.THydrogen-bonded Turntrans-60.6-31.2173.3510000112.3
118D65.9Low66.3Low57 Ų5760.7 Ų60.731%0.30534%0.338SS..SBendtrans-90-14.2-171.3-49.5-18.4000111.2D116 P120 K181 L230D116-D118 PolarHBondContact O-N 2.8Å; D118-P120 WeakPolarHBondContact O-CD 3.33Å; D118-K181 IonicContact OD2-NZ 3.86Å; D118-L230 WeakPolarHBondContact O-CD1 3.38Å
119I76.9Confident67.3Low21 Ų2153.5 Ų53.511%0.10830%0.304CS..SBendtrans-81.3122.5175.7-59.7-166.1000109.8D116 K121 Y123 D125 I266D116-I119 PolarHBondContact O-N 2.81Å; D116-I119 WeakPolarHBondContact OD1-CD1 3.38Å; I119-K121 PolarHBondContact O-N 2.97Å; I119-Y123 WeakPolarHBondContact CG2-O 3.49Å; I119-D125 HydrophobicContact CD1-CB 4.18Å; I119-I266 HydrophobicContact CD1-CD1 3.67Å; I119-I266 HydrophobicContact CD1-CG1 4.44Å; I119-I266 HydrophobicContact CD1-CG2 4.23Å; I119-I266 HydrophobicContact CG1-CD1 4.28Å; I119-I266 HydrophobicContact CG1-CG2 4.37Å; I119-I266 HydrophobicContact CG2-CG2 3.69Å
120P75.5Confident69Low52 Ų5252.1 Ų52.134%0.33830%0.297SS..PPolyproline II helixtrans-62.1140.5177.7-20.631.8000111.9D118 G122 Y123 F178 L230D118-P120 WeakPolarHBondContact O-CD 3.33Å; P120-G122 PolarHBondContact O-N 2.98Å; P120-Y123 HydrophobicContact CB-CD2 4.04Å; P120-Y123 HydrophobicContact CB-CE2 4.47Å; P120-Y123 PolarHBondContact O-N 3.41Å; P120-Y123 VanDerWaalsContact O-N 3.08Å; P120-F178 HydrophobicContact CG-CE1 4.03Å; P120-L230 HydrophobicContact CG-CD1 4.39Å
121K72.9Confident71Confident213 Ų21354 Ų5493%0.92631%0.308SS*.THydrogen-bonded Turntrans-51.2125.6-178.8-70.5-177.6-179.6176.40111.6I119I119-K121 PolarHBondContact O-N 2.97Å
122G72.6Confident73Confident53 Ų5356.4 Ų56.455%0.54631%0.313SS..THydrogen-bonded Turntrans102-817900000114.1P120 T268P120-G122 PolarHBondContact O-N 2.98Å; G122-T268 WeakPolarHBondContact O-CG2 3.24Å
123Y83.5Confident75.2Confident58 Ų5859.4 Ų59.423%0.22734%0.335CS..  trans-107.9168.7167.6-55-75000110.6I119 P120 F178 Y235 G267 T268I119-Y123 WeakPolarHBondContact CG2-O 3.49Å; P120-Y123 HydrophobicContact CB-CD2 4.04Å; P120-Y123 HydrophobicContact CB-CE2 4.47Å; P120-Y123 PolarHBondContact O-N 3.41Å; P120-Y123 VanDerWaalsContact O-N 3.08Å; Y123-F178 HydrophobicContact CD1-CB 3.67Å; Y123-F178 HydrophobicContact CD1-CD1 4.45Å; Y123-F178 HydrophobicContact CD1-CD2 4.49Å; Y123-F178 AromaticContact CD1-CG 3.96Å; Y123-F178 HydrophobicContact CD1-CG 3.96Å; Y123-F178 AromaticContact CD2-CD1 3.97Å; Y123-F178 HydrophobicContact CD2-CD1 3.97Å; Y123-F178 HydrophobicContact CD2-CE1 4.26Å; Y123-F178 HydrophobicContact CD2-CG 4.11Å; Y123-F178 HydrophobicContact CE1-CB 3.59Å; Y123-F178 HydrophobicContact CE1-CD1 4.47Å; Y123-F178 AromaticContact CE1-CD2 3.76Å; Y123-F178 HydrophobicContact CE1-CD2 3.76Å; Y123-F178 AromaticContact CE1-CG 3.67Å; Y123-F178 HydrophobicContact CE1-CG 3.67Å; Y123-F178 AromaticContact CE2-CD1 3.98Å; Y123-F178 HydrophobicContact CE2-CD1 3.98Å; Y123-F178 AromaticContact CE2-CD2 3.77Å; Y123-F178 HydrophobicContact CE2-CD2 3.77Å; Y123-F178 HydrophobicContact CE2-CE1 4.08Å; Y123-F178 AromaticContact CE2-CE2 3.87Å; Y123-F178 HydrophobicContact CE2-CE2 3.87Å; Y123-F178 AromaticContact CE2-CG 3.83Å; Y123-F178 HydrophobicContact CE2-CG 3.83Å; Y123-F178 HydrophobicContact CE2-CZ 4.02Å; Y123-F178 HydrophobicContact CG-CB 4.22Å; Y123-F178 HydrophobicContact CG-CD1 4.21Å; Y123-F178 HydrophobicContact CG-CG 4.16Å; Y123-F178 AromaticContact CZ-CD2 3.34Å; Y123-F178 AromaticContact CZ-CE2 3.78Å; Y123-F178 AromaticContact CZ-CG 3.59Å; Y123-F178 VanDerWaalsContact OH-CD2 3.3Å; Y123-F178 WeakPolarHBondContact OH-CD2 3.4Å; Y123-Y235 HydrophobicContact CE1-CE2 4.45Å; Y123-G267 WeakPolarHBondContact CA-O 3.39Å; Y123-T268 HydrophobicContact CD1-CG2 4.1Å
124M85.2Confident77.5Confident1 Ų155.7 Ų55.71%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-148.1161.3177.364.9-171.4-59.600110.3R83 N84 V86 V88 L126 F129 I266 G267R83-M124 HydrophobicContact CB-CE 3.87Å; R83-M124 HydrophobicContact CG-CE 4.01Å; N84-M124 HydrophobicContact CB-CB 4.15Å; V86-M124 HydrophobicContact CB-SD 3.73Å; V86-M124 HydrophobicContact CG1-SD 4.01Å; V86-M124 HydrophobicContact CG2-SD 3.84Å; V88-M124 HydrophobicContact CG1-CE 3.9Å; M124-L126 HydrophobicContact CG-CD2 4.31Å; M124-L126 PolarHBondContact O-N 3.09Å; M124-F129 HydrophobicContact CE-CE2 4.04Å; M124-F129 HydrophobicContact CE-CZ 4.47Å; M124-F129 HydrophobicContact SD-CE2 3.91Å; M124-F129 HydrophobicContact SD-CZ 4.34Å; M124-I266 WeakPolarHBondContact O-CA 3.45Å; M124-G267 PolarHBondContact N-O 3.12Å; M124-G267 PolarHBondContact O-N 3.33Å
125D88.4Confident80Confident20 Ų2049.7 Ų49.711%0.10729%0.293CS..EExtended strand (participates in β ladder)trans-61.3128.9164.9-167.1-49.8000109.9I119 M127 P128 Y262 T264 I266I119-D125 HydrophobicContact CD1-CB 4.18Å; D125-M127 WeakPolarHBondContact OD1-CA 3.37Å; D125-M127 WeakPolarHBondContact OD1-CB 3.24Å; D125-M127 PolarHBondContact OD1-N 3.07Å; D125-P128 WeakPolarHBondContact O-CD 3.19Å; D125-Y262 PolarHBondContact OD2-OH 3.3Å; D125-Y262 VanDerWaalsContact OD2-OH 3.13Å; D125-T264 PolarHBondContact OD1-OG1 2.84Å; D125-T264 WeakPolarHBondContact OD2-CG2 3.11Å; D125-T264 PolarHBondContact OD2-OG1 2.86Å; D125-I266 HydrophobicContact CB-CD1 4.28Å
126L90.6Very high82.2Confident1 Ų150.5 Ų50.51%0.00530%0.297CS..  trans-92.61.1-176.9-63.8178.7000113.9M124 P128 F129 F171 V175 L177 F265M124-L126 HydrophobicContact CG-CD2 4.31Å; M124-L126 PolarHBondContact O-N 3.09Å; L126-P128 VanDerWaalsContact C-N 3.27Å; L126-F129 HydrophobicContact CB-CD2 4.4Å; L126-F129 HydrophobicContact CD2-CD2 3.72Å; L126-F129 HydrophobicContact CD2-CE2 4.01Å; L126-F129 WeakPolarHBondContact O-CA 3.38Å; L126-F129 WeakPolarHBondContact O-CB 3.36Å; L126-F129 PolarHBondContact O-N 2.91Å; L126-F171 HydrophobicContact CB-CE1 4.15Å; L126-V175 HydrophobicContact CD1-CB 4.04Å; L126-V175 HydrophobicContact CD1-CG1 4.44Å; L126-V175 HydrophobicContact CD1-CG2 4.03Å; L126-V175 HydrophobicContact CD2-CG1 4.25Å; L126-L177 HydrophobicContact CD1-CD2 3.43Å; L126-L177 VanDerWaalsContact CD1-CD2 3.43Å; L126-F265 HydrophobicContact CB-CB 4.34Å; L126-F265 VanDerWaalsContact CB-O 3.28Å; L126-F265 WeakPolarHBondContact CB-O 3.45Å; L126-F265 HydrophobicContact CD1-CB 4.11Å; L126-F265 WeakPolarHBondContact CG-O 3.31Å; L126-F265 PolarHBondContact N-O 2.67Å
127M89.9Confident84.3Confident16 Ų1649.6 Ų49.68%0.07929%0.292CS..G310 helixtrans-50.1-39.2175.5-172.557.8-166.600113.5D125 F129 V130 L150D125-M127 WeakPolarHBondContact OD1-CA 3.37Å; D125-M127 WeakPolarHBondContact OD1-CB 3.24Å; D125-M127 PolarHBondContact OD1-N 3.07Å; M127-F129 PolarHBondContact O-N 3.07Å; M127-F129 VanDerWaalsContact O-N 3.11Å; M127-V130 WeakPolarHBondContact O-CB 3.3Å; M127-V130 PolarHBondContact O-N 3.08Å; M127-V130 HydrophobicContact SD-CB 4.21Å; M127-V130 HydrophobicContact SD-CG2 4.03Å; M127-L150 HydrophobicContact CE-CB 3.64Å; M127-L150 HydrophobicContact CE-CD1 4.08Å; M127-L150 HydrophobicContact CE-CD2 4.49Å; M127-L150 HydrophobicContact CE-CG 4.31Å; M127-L150 HydrophobicContact SD-CB 4.26Å; M127-L150 HydrophobicContact SD-CD2 4.21Å
128P85.9Confident86.2Confident13 Ų1347.3 Ų47.38%0.08427%0.272CS..G310 helixtrans-62.7-18.3174.8-2435.9000115.1D125 L126D125-P128 WeakPolarHBondContact O-CD 3.19Å; L126-P128 VanDerWaalsContact C-N 3.27Å
129F88.8Confident87.7Confident0 Ų046.3 Ų46.30%027%0.267CS..G310 helixtrans-95.7-3.5177.2-56.6-75.1000112.7V86 V88 M124 L126 M127 N131 F171 N172 Q173 V175 P269V86-F129 HydrophobicContact CG1-CZ 4.35Å; V88-F129 HydrophobicContact CB-CE1 4.47Å; V88-F129 HydrophobicContact CB-CZ 4.36Å; V88-F129 HydrophobicContact CG1-CE1 4.43Å; V88-F129 HydrophobicContact CG1-CE2 4.47Å; V88-F129 HydrophobicContact CG1-CZ 3.84Å; M124-F129 HydrophobicContact CE-CE2 4.04Å; M124-F129 HydrophobicContact CE-CZ 4.47Å; M124-F129 HydrophobicContact SD-CE2 3.91Å; M124-F129 HydrophobicContact SD-CZ 4.34Å; L126-F129 HydrophobicContact CB-CD2 4.4Å; L126-F129 HydrophobicContact CD2-CD2 3.72Å; L126-F129 HydrophobicContact CD2-CE2 4.01Å; L126-F129 WeakPolarHBondContact O-CA 3.38Å; L126-F129 WeakPolarHBondContact O-CB 3.36Å; L126-F129 PolarHBondContact O-N 2.91Å; M127-F129 PolarHBondContact O-N 3.07Å; M127-F129 VanDerWaalsContact O-N 3.11Å; F129-N131 PolarHBondContact O-N 3.4Å; F129-F171 HydrophobicContact CB-CD1 4.15Å; F129-F171 CarbonylContact O-C 3.58Å; F129-F171 WeakPolarHBondContact O-CA 3.49Å; F129-N172 WeakPolarHBondContact CA-OD1 3.44Å; F129-N172 VanDerWaalsContact O-CG 3.3Å; F129-N172 PolarHBondContact O-N 3.35Å; F129-N172 PolarHBondContact O-OD1 3.4Å; F129-N172 VanDerWaalsContact O-OD1 3.13Å; F129-Q173 HydrophobicContact CD1-CG 3.92Å; F129-Q173 VanDerWaalsContact CD1-NE2 3.26Å; F129-Q173 HydrophobicContact CE1-CG 4.49Å; F129-V175 HydrophobicContact CB-CG1 4.25Å; F129-V175 HydrophobicContact CG-CG1 4.43Å; F129-P269 HydrophobicContact CE1-CB 4.45Å; F129-P269 HydrophobicContact CE1-CG 4.44Å; F129-P269 HydrophobicContact CZ-CB 4.37Å; F129-P269 HydrophobicContact CZ-CG 3.98Å
130V91.7Very high88.6Confident21 Ų2148.9 Ų48.913%0.12728%0.278CS..BIsolated β-bridgetrans-72127.5179173.70000110.1M127 I169 F171M127-V130 WeakPolarHBondContact O-CB 3.3Å; M127-V130 PolarHBondContact O-N 3.08Å; M127-V130 HydrophobicContact SD-CB 4.21Å; M127-V130 HydrophobicContact SD-CG2 4.03Å; V130-I169 HydrophobicContact CG1-CG2 3.98Å; V130-I169 HydrophobicContact CG2-CG2 3.86Å; V130-F171 HydrophobicContact CG2-CD1 4.21Å; V130-F171 HydrophobicContact CG2-CE1 3.92Å
131N92Very high89.5Confident69 Ų6947.1 Ų47.137%0.36927%0.268SS..  trans-93.491.7171.7176.118.9000109.6F129 A133 G134 C135 A170 N172F129-N131 PolarHBondContact O-N 3.4Å; N131-A133 PolarHBondContact O-N 3.22Å; N131-A133 PolarHBondContact OD1-N 3.32Å; N131-G134 PolarHBondContact O-N 3.23Å; N131-C135 PolarHBondContact O-N 3.02Å; N131-C135 PolarHBondContact O-SG 3.23Å; N131-C135 VanDerWaalsContact O-SG 3.35Å; N131-A170 HydrophobicContact CB-CB 4.38Å; N131-A170 PolarHBondContact N-O 3.13Å; N131-N172 HydrophobicContact CB-CB 4.47Å
132K89.4Confident90.3Very high93 Ų9344.8 Ų44.840%0.40427%0.265SS..G310 helixtrans-53.4-37.5-178.7-64.2-167.5177-164.90113.6G134 C135K132-G134 PolarHBondContact O-N 3.29Å; K132-C135 WeakPolarHBondContact O-CB 3.46Å; K132-C135 PolarHBondContact O-N 2.88Å; K132-C135 VanDerWaalsContact O-N 3.08Å
133A89.6Confident91Very high100 Ų10049.2 Ų49.283%0.82628%0.276SS*.G310 helixtrans-68.4-16.2179.900000113.8N131N131-A133 PolarHBondContact O-N 3.22Å; N131-A133 PolarHBondContact OD1-N 3.32Å
134G90.4Very high91.2Very high35 Ų3547.6 Ų47.636%0.36127%0.273SS..G310 helixtrans-105.65.5174.200000113.6N131 K132 A170N131-G134 PolarHBondContact O-N 3.23Å; K132-G134 PolarHBondContact O-N 3.29Å; G134-A170 WeakPolarHBondContact O-CB 3.11Å
135C94.4Very high91.5Very high24 Ų2448.4 Ų48.416%0.16228%0.282CS..  trans-84.5151.2172.9-62.60000110.4N131 K132 F146 T168N131-C135 PolarHBondContact O-N 3.02Å; N131-C135 PolarHBondContact O-SG 3.23Å; N131-C135 VanDerWaalsContact O-SG 3.35Å; K132-C135 WeakPolarHBondContact O-CB 3.46Å; K132-C135 PolarHBondContact O-N 2.88Å; K132-C135 VanDerWaalsContact O-N 3.08Å; C135-F146 HydrophobicContact CB-CD1 4.3Å; C135-F146 HydrophobicContact CB-CE1 3.39Å; C135-F146 HydrophobicContact CB-CZ 3.82Å; C135-T168 CarbonylContact C-O 3.32Å; C135-T168 WeakPolarHBondContact CA-O 3.28Å; C135-T168 WeakPolarHBondContact CB-O 3.11Å
136E94.8Very high91.6Very high84 Ų8448.1 Ų48.139%0.39328%0.28SS..EExtended strand (participates in β ladder)trans-146.7142.1179.2179.1177.9-148.300108.3L138 T168E136-L138 HydrophobicContact CG-CD2 4.23Å; E136-T168 PolarHBondContact N-O 3.08Å; E136-T168 PolarHBondContact O-N 3.36Å
137C96Very high91.5Very high13 Ų1352.3 Ų52.39%0.08830%0.302CS..EExtended strand (participates in β ladder)trans-131.3130.9172.6-168.70000109.3E140 F146 L166C137-E140 HydrophobicContact CB-CB 4.37Å; C137-E140 HydrophobicContact CB-CG 4.44Å; C137-E140 WeakPolarHBondContact CB-OE2 3.35Å; C137-F146 HydrophobicContact CB-CB 3.5Å; C137-F146 VanDerWaalsContact CB-CB 3.5Å; C137-F146 HydrophobicContact CB-CD2 4.2Å; C137-F146 HydrophobicContact CB-CG 3.95Å; C137-L166 CarbonylContact C-O 3.58Å; C137-L166 VanDerWaalsContact CA-O 3.3Å; C137-L166 WeakPolarHBondContact CA-O 3.42Å
138L96.6Very high91.5Very high49 Ų4953.8 Ų53.826%0.25731%0.311SS..EExtended strand (participates in β ladder)trans-106.2143.8174.2-51.6179.5000109.9E136 E140 L166 F206E136-L138 HydrophobicContact CG-CD2 4.23Å; L138-E140 VanDerWaalsContact C-N 3.29Å; L138-L166 HydrophobicContact CB-CB 4.06Å; L138-L166 HydrophobicContact CD1-CB 4.3Å; L138-L166 HydrophobicContact CD1-CD1 4.44Å; L138-L166 HydrophobicContact CD1-CD2 4.17Å; L138-L166 HydrophobicContact CG-CB 4.35Å; L138-L166 HydrophobicContact CG-CD2 4.43Å; L138-L166 PolarHBondContact N-O 3.28Å; L138-L166 PolarHBondContact O-N 2.85Å; L138-F206 HydrophobicContact CB-CE2 3.84Å; L138-F206 HydrophobicContact CB-CZ 3.84Å; L138-F206 HydrophobicContact CD1-CE2 4.39Å
139N96.4Very high91.7Very high36 Ų3653.2 Ų53.219%0.19331%0.307CS..SBendtrans63.728.7-174.5-162.135.2000113.7S159 D160 C161 D162 Q164 L165 F206N139-S159 CarbonylContact O-C 3.44Å; N139-S159 WeakPolarHBondContact O-CA 3.43Å; N139-D160 PolarHBondContact O-N 3.05Å; N139-C161 WeakPolarHBondContact OD1-CB 3.31Å; N139-C161 PolarHBondContact OD1-N 2.68Å; N139-D162 PolarHBondContact ND2-O 3.41Å; N139-D162 PolarHBondContact ND2-OD1 3.18Å; N139-Q164 PolarHBondContact ND2-O 2.85Å; N139-L165 HydrophobicContact CB-CD2 4.47Å; N139-L165 VanDerWaalsContact O-CD2 3.31Å; N139-L165 WeakPolarHBondContact O-CD2 3.35Å; N139-F206 HydrophobicContact CB-CE2 4.36Å; N139-F206 HydrophobicContact CB-CZ 3.73Å
140E95.7Very high91.7Very high75 Ų7553.4 Ų53.435%0.3531%0.308SS..BIsolated β-bridgetrans-76.9143.8169.566.1-176.9173.300111.5C137 L138 F146 L157C137-E140 HydrophobicContact CB-CB 4.37Å; C137-E140 HydrophobicContact CB-CG 4.44Å; C137-E140 WeakPolarHBondContact CB-OE2 3.35Å; L138-E140 VanDerWaalsContact C-N 3.29Å; E140-F146 WeakPolarHBondContact OE2-CB 3.47Å; E140-F146 PolarHBondContact OE2-N 3.27Å; E140-L157 HydrophobicContact CB-CD1 3.69Å
141S95.1Very high91.3Very high16 Ų1656.3 Ų56.311%0.11232%0.322CS..  trans-73.1144.5173.8176.20000111.8D143 C144 G145 E158S141-D143 PolarHBondContact O-N 3.5Å; S141-D143 PolarHBondContact OG-N 2.96Å; S141-C144 CarbonylContact O-C 3.57Å; S141-C144 VanDerWaalsContact O-C 3.32Å; S141-C144 PolarHBondContact O-N 3.29Å; S141-G145 PolarHBondContact O-N 2.8Å; S141-E158 WeakPolarHBondContact CB-O 3.42Å; S141-E158 PolarHBondContact N-O 3.41Å
142D88.7Confident90.6Very high163 Ų16357 Ų5787%0.87232%0.322SS*.SBendtrans-57.8-32.7175.1-73.4-24.2000113
143D87.5Confident90.1Very high146 Ų14656.6 Ų56.678%0.78132%0.324SS*.SBendtrans-85.9-24.3-178.5-70.1-38.3000112.6S141S141-D143 PolarHBondContact O-N 3.5Å; S141-D143 PolarHBondContact OG-N 2.96Å
144C88.6Confident89.5Confident25 Ų2557.6 Ų57.617%0.16932%0.324CS..SBendtrans-138.466.8-167.7-77.80000110.3S141 C156 L157 E158S141-C144 CarbonylContact O-C 3.57Å; S141-C144 VanDerWaalsContact O-C 3.32Å; S141-C144 PolarHBondContact O-N 3.29Å; C144-C156 CarbonylContact C-O 3.5Å; C144-C156 WeakPolarHBondContact CA-O 3.42Å; C144-C156 WeakPolarHBondContact CB-O 3.17Å; C144-C156 VanDerWaalsContact SG-SG 3.68Å; C144-L157 VanDerWaalsContact O-CA 3.32Å; C144-L157 WeakPolarHBondContact O-CA 3.48Å; C144-L157 WeakPolarHBondContact O-CD1 3.39Å; C144-E158 HydrophobicContact CB-CB 3.76Å; C144-E158 PolarHBondContact O-N 3.17Å
145G90.6Very high89.4Confident18 Ų1857.1 Ų57.119%0.18632%0.316CS..  trans-78.2174.8-177.600000115S141 D147 N148S141-G145 PolarHBondContact O-N 2.8Å; G145-D147 PolarHBondContact O-N 3.44Å; G145-N148 PolarHBondContact N-ND2 2.68Å; G145-N148 VanDerWaalsContact O-CB 3.24Å; G145-N148 WeakPolarHBondContact O-CB 3.43Å; G145-N148 PolarHBondContact O-N 2.74Å
146F91.1Very high89.3Confident13 Ų1356.9 Ų56.96%0.05731%0.314CS..G310 helixtrans-60.1-38.4-173.4164.4-102.7000114.6C135 C137 E140 N148 C149 L150 I167 I169C135-F146 HydrophobicContact CB-CD1 4.3Å; C135-F146 HydrophobicContact CB-CE1 3.39Å; C135-F146 HydrophobicContact CB-CZ 3.82Å; C137-F146 HydrophobicContact CB-CB 3.5Å; C137-F146 VanDerWaalsContact CB-CB 3.5Å; C137-F146 HydrophobicContact CB-CD2 4.2Å; C137-F146 HydrophobicContact CB-CG 3.95Å; E140-F146 WeakPolarHBondContact OE2-CB 3.47Å; E140-F146 PolarHBondContact OE2-N 3.27Å; F146-N148 PolarHBondContact O-N 2.74Å; F146-C149 PolarHBondContact O-N 2.85Å; F146-C149 PolarHBondContact O-SG 2.94Å; F146-L150 HydrophobicContact CD1-CD1 4.28Å; F146-L150 HydrophobicContact CE1-CD1 3.48Å; F146-L150 VanDerWaalsContact CE1-CD1 3.48Å; F146-L150 HydrophobicContact CE1-CG 4.11Å; F146-L150 HydrophobicContact CE2-CD1 4.45Å; F146-L150 HydrophobicContact CE2-CD2 4.08Å; F146-L150 HydrophobicContact CE2-CG 4.26Å; F146-L150 HydrophobicContact CZ-CD1 3.59Å; F146-L150 HydrophobicContact CZ-CD2 3.8Å; F146-L150 HydrophobicContact CZ-CG 3.86Å; F146-I167 HydrophobicContact CD2-CG2 3.66Å; F146-I167 HydrophobicContact CE2-CG2 3.33Å; F146-I167 HydrophobicContact CZ-CG2 4.37Å; F146-I169 HydrophobicContact CE2-CD1 4.32Å; F146-I169 HydrophobicContact CE2-CG1 4.08Å; F146-I169 HydrophobicContact CZ-CD1 4.39Å; F146-I169 HydrophobicContact CZ-CG1 3.83Å
147D88.6Confident89.4Confident90 Ų9052.9 Ų52.948%0.48130%0.295SS..G310 helixtrans-58-26.5-178.9-80.8-42.2000112.6G145 L150G145-D147 PolarHBondContact O-N 3.44Å; D147-L150 PolarHBondContact O-N 3.17Å
148N90.5Very high89.4Confident47 Ų4754 Ų5425%0.25130%0.299SS..G310 helixtrans-65.6-37178-66.1-14.8000112.2G145 F146 L150 S155 C156G145-N148 PolarHBondContact N-ND2 2.68Å; G145-N148 VanDerWaalsContact O-CB 3.24Å; G145-N148 WeakPolarHBondContact O-CB 3.43Å; G145-N148 PolarHBondContact O-N 2.74Å; F146-N148 PolarHBondContact O-N 2.74Å; N148-L150 PolarHBondContact O-N 2.84Å; N148-S155 WeakPolarHBondContact CA-OG 3.28Å; N148-S155 VanDerWaalsContact CB-OG 3.24Å; N148-S155 WeakPolarHBondContact CB-OG 3.47Å; N148-S155 PolarHBondContact O-OG 2.64Å; N148-S155 VanDerWaalsContact O-OG 3.12Å; N148-C156 VanDerWaalsContact CB-O 3.31Å; N148-C156 WeakPolarHBondContact CB-O 3.44Å; N148-C156 PolarHBondContact ND2-O 3.5Å; N148-C156 VanDerWaalsContact ND2-O 3.09Å
149C90.1Very high89.4Confident0 Ų051.7 Ų51.70%029%0.287CS..G310 helixtrans-79.5-2.9-179.1770000113.7F146 L157 I260 Y262 L263F146-C149 PolarHBondContact O-N 2.85Å; F146-C149 PolarHBondContact O-SG 2.94Å; C149-L157 HydrophobicContact CB-CB 3.72Å; C149-I260 HydrophobicContact CB-CB 4.36Å; C149-I260 HydrophobicContact CB-CG2 4.02Å; C149-Y262 CarbonylContact O-C 3.57Å; C149-Y262 WeakPolarHBondContact O-CA 3.49Å; C149-L263 PolarHBondContact O-N 2.86Å
150L87.9Confident89.3Confident5 Ų554.8 Ų54.83%0.02630%0.304CS..G310 helixtrans-92.9-9.2177.9-65.7-175.3000113.6M127 F146 D147 N148M127-L150 HydrophobicContact CE-CB 3.64Å; M127-L150 HydrophobicContact CE-CD1 4.08Å; M127-L150 HydrophobicContact CE-CD2 4.49Å; M127-L150 HydrophobicContact CE-CG 4.31Å; M127-L150 HydrophobicContact SD-CB 4.26Å; M127-L150 HydrophobicContact SD-CD2 4.21Å; F146-L150 HydrophobicContact CD1-CD1 4.28Å; F146-L150 HydrophobicContact CE1-CD1 3.48Å; F146-L150 VanDerWaalsContact CE1-CD1 3.48Å; F146-L150 HydrophobicContact CE1-CG 4.11Å; F146-L150 HydrophobicContact CE2-CD1 4.45Å; F146-L150 HydrophobicContact CE2-CD2 4.08Å; F146-L150 HydrophobicContact CE2-CG 4.26Å; F146-L150 HydrophobicContact CZ-CD1 3.59Å; F146-L150 HydrophobicContact CZ-CD2 3.8Å; F146-L150 HydrophobicContact CZ-CG 3.86Å; D147-L150 PolarHBondContact O-N 3.17Å; N148-L150 PolarHBondContact O-N 2.84Å
151I82.3Confident89.1Confident81 Ų8156.2 Ų56.242%0.41532%0.321SS..SBendtrans-117.1136-179.2-57.9171.7000107.3D153I151-D153 HydrophobicContact CG2-CB 4.24Å; I151-D153 PolarHBondContact O-N 2.99Å
152K78.3Confident89.1Confident85 Ų8558.3 Ų58.337%0.3733%0.331SS..SBendtrans-8372.3178.7-159.5-175.3-172-171.60110.6E115 Y262E115-K152 IonicContact OE1-NZ 3.43Å; E115-K152 PolarHBondContact OE1-NZ 3.06Å; E115-K152 WeakPolarHBondContact OE2-CD 3.41Å; E115-K152 IonicContact OE2-NZ 3.4Å; E115-K152 PolarHBondContact OE2-NZ 2.81Å; K152-Y262 HydrophobicContact CB-CD2 3.98Å; K152-Y262 HydrophobicContact CB-CE2 4Å; K152-Y262 HydrophobicContact CB-CG 4.42Å; K152-Y262 HydrophobicContact CG-CD1 4.5Å; K152-Y262 HydrophobicContact CG-CD2 4.35Å; K152-Y262 HydrophobicContact CG-CG 4.29Å
153D78.5Confident89.4Confident84 Ų8453.6 Ų53.645%0.44930%0.304SS..SBendtrans-128.2-161.617671.59.6000111.6I151 S155I151-D153 HydrophobicContact CG2-CB 4.24Å; I151-D153 PolarHBondContact O-N 2.99Å; D153-S155 VanDerWaalsContact C-N 3.29Å; D153-S155 WeakPolarHBondContact OD1-CA 3.02Å; D153-S155 WeakPolarHBondContact OD1-CB 3.36Å; D153-S155 PolarHBondContact OD1-N 3Å; D153-S155 PolarHBondContact OD1-OG 3.18Å
154S77.9Confident89.9Confident120 Ų12048.1 Ų48.184%0.83927%0.273SS*.SBendtrans-83.6-0.2179.656.60000114.2
155S88.4Confident90.4Very high26 Ų2646.9 Ų46.918%0.18227%0.265CS..  trans-78.1169.1179.272.70000111.4N148 D153 N261N148-S155 WeakPolarHBondContact CA-OG 3.28Å; N148-S155 VanDerWaalsContact CB-OG 3.24Å; N148-S155 WeakPolarHBondContact CB-OG 3.47Å; N148-S155 PolarHBondContact O-OG 2.64Å; N148-S155 VanDerWaalsContact O-OG 3.12Å; D153-S155 VanDerWaalsContact C-N 3.29Å; D153-S155 WeakPolarHBondContact OD1-CA 3.02Å; D153-S155 WeakPolarHBondContact OD1-CB 3.36Å; D153-S155 PolarHBondContact OD1-N 3Å; D153-S155 PolarHBondContact OD1-OG 3.18Å; S155-N261 PolarHBondContact O-ND2 2.91Å
156C92Very high90.7Very high18 Ų1846.1 Ų46.112%0.12226%0.257CS..  trans-146.5155.9174.4590000111.9C144 N148 I260C144-C156 CarbonylContact C-O 3.5Å; C144-C156 WeakPolarHBondContact CA-O 3.42Å; C144-C156 WeakPolarHBondContact CB-O 3.17Å; C144-C156 VanDerWaalsContact SG-SG 3.68Å; N148-C156 VanDerWaalsContact CB-O 3.31Å; N148-C156 WeakPolarHBondContact CB-O 3.44Å; N148-C156 PolarHBondContact ND2-O 3.5Å; N148-C156 VanDerWaalsContact ND2-O 3.09Å; C156-I260 WeakPolarHBondContact CA-O 3.4Å
157L95.6Very high91Very high0 Ų045.5 Ų45.50%025%0.254CS..EExtended strand (participates in β ladder)trans-85129.8155.8168.463.6000108E140 C144 C149 L165 I167 K259 I260E140-L157 HydrophobicContact CB-CD1 3.69Å; C144-L157 VanDerWaalsContact O-CA 3.32Å; C144-L157 WeakPolarHBondContact O-CA 3.48Å; C144-L157 WeakPolarHBondContact O-CD1 3.39Å; C149-L157 HydrophobicContact CB-CB 3.72Å; L157-L165 HydrophobicContact CD1-CD2 4.48Å; L157-L165 HydrophobicContact CD2-CD1 4.15Å; L157-L165 HydrophobicContact CG-CD1 4.21Å; L157-I167 HydrophobicContact CD2-CD1 3.65Å; L157-I167 HydrophobicContact CD2-CG1 4.09Å; L157-K259 CarbonylContact O-C 3.46Å; L157-K259 WeakPolarHBondContact O-CA 3.27Å; L157-I260 HydrophobicContact CB-CB 4.43Å; L157-I260 HydrophobicContact CD2-CD1 4.45Å; L157-I260 PolarHBondContact N-O 3.06Å; L157-I260 PolarHBondContact O-N 3.23Å
158E96.7Very high91.4Very high36 Ų3642.1 Ų42.117%0.16824%0.237CC..EExtended strand (participates in β ladder)trans-126143.6172.2176.2161.6-15100109.5S141 C144 R189 T257 T258 K259S141-E158 WeakPolarHBondContact CB-O 3.42Å; S141-E158 PolarHBondContact N-O 3.41Å; C144-E158 HydrophobicContact CB-CB 3.76Å; C144-E158 PolarHBondContact O-N 3.17Å; E158-R189 IonicContact OE1-NH1 3.67Å; E158-R189 PolarHBondContact OE1-NH1 3.5Å; E158-T257 PolarHBondContact OE1-OG1 3.42Å; E158-T258 WeakPolarHBondContact CA-O 3.35Å; E158-K259 HydrophobicContact CB-CG 4.29Å; E158-K259 HydrophobicContact CG-CG 4.26Å; E158-K259 WeakPolarHBondContact OE1-CE 3.34Å; E158-K259 IonicContact OE1-NZ 2.75Å; E158-K259 PolarHBondContact OE1-NZ 3.18Å; E158-K259 WeakPolarHBondContact OE2-CE 3.37Å; E158-K259 IonicContact OE2-NZ 2.76Å; E158-K259 PolarHBondContact OE2-NZ 3.08Å
159S96.9Very high91.7Very high2 Ų240.1 Ų40.11%0.01423%0.226CC..BIsolated β-bridgetrans-77.7145.8172.665.60000112.3N139 D162 T257 T258N139-S159 CarbonylContact O-C 3.44Å; N139-S159 WeakPolarHBondContact O-CA 3.43Å; S159-D162 WeakPolarHBondContact CB-O 3.46Å; S159-D162 PolarHBondContact OG-O 2.9Å; S159-T257 WeakPolarHBondContact O-CG2 3.48Å; S159-T257 WeakPolarHBondContact OG-CA 3.08Å; S159-T257 WeakPolarHBondContact OG-CB 3.22Å; S159-T258 PolarHBondContact N-O 2.85Å; S159-T258 PolarHBondContact OG-N 3.08Å
160D94.4Very high91.9Very high100 Ų10040.9 Ų40.954%0.53523%0.232SC..SBendtrans-88.6-55.9-172.3-168.643.9000113.3N139N139-D160 PolarHBondContact O-N 3.05Å
161C91.3Very high92.3Very high106 Ų10641.3 Ų41.372%0.71623%0.234SC*.SBendtrans-96.3-36.6-169.7-167.80000114.5N139N139-C161 WeakPolarHBondContact OD1-CB 3.31Å; N139-C161 PolarHBondContact OD1-N 2.68Å
162D95.1Very high92.7Very high59 Ų5942 Ų4232%0.31624%0.238SC..SBendtrans-152.9-176.9-175.564.430.3000109.7N139 S159 Q164 E256N139-D162 PolarHBondContact ND2-O 3.41Å; N139-D162 PolarHBondContact ND2-OD1 3.18Å; S159-D162 WeakPolarHBondContact CB-O 3.46Å; S159-D162 PolarHBondContact OG-O 2.9Å; D162-Q164 PolarHBondContact O-N 2.91Å; D162-Q164 WeakPolarHBondContact OD1-CA 3.13Å; D162-Q164 VanDerWaalsContact OD1-CB 3.29Å; D162-Q164 WeakPolarHBondContact OD1-CB 3.2Å; D162-Q164 PolarHBondContact OD1-N 2.96Å; D162-E256 CarbonylContact C-O 3.42Å; D162-E256 VanDerWaalsContact CA-O 3.31Å; D162-E256 WeakPolarHBondContact CA-O 3.48Å
163E96Very high93.2Very high65 Ų6541.2 Ų41.230%0.30424%0.236SC..SBendtrans-75.3-6.2-175.472.5-85.8-156.900114.2N251 E256 T258E163-N251 WeakPolarHBondContact CB-ND2 3.36Å; E163-E256 PolarHBondContact N-O 3.16Å; E163-T258 WeakPolarHBondContact O-CB 3.04Å; E163-T258 PolarHBondContact O-OG1 3.44Å
164Q97.7Very high94Very high30 Ų3039 Ų3914%0.1423%0.226CC..  trans-83.8138.5-174.9-57.6-166.1-9.600111.4N139 D162 F206 F247 V248N139-Q164 PolarHBondContact ND2-O 2.85Å; D162-Q164 PolarHBondContact O-N 2.91Å; D162-Q164 WeakPolarHBondContact OD1-CA 3.13Å; D162-Q164 VanDerWaalsContact OD1-CB 3.29Å; D162-Q164 WeakPolarHBondContact OD1-CB 3.2Å; D162-Q164 PolarHBondContact OD1-N 2.96Å; Q164-F206 HydrophobicContact CB-CD1 3.99Å; Q164-F206 HydrophobicContact CB-CE1 3.76Å; Q164-F247 HydrophobicContact CB-CE2 4.17Å; Q164-F247 HydrophobicContact CG-CE2 4.32Å; Q164-V248 VanDerWaalsContact CA-O 3.29Å; Q164-V248 WeakPolarHBondContact CA-O 3.31Å
165L97.6Very high94.8Very high0 Ų033.3 Ų33.30%019%0.186CC..EExtended strand (participates in β ladder)trans-134.5142.7173.2-75.1167.6000109.1N139 L157 I167 F247 V248 T258 I260N139-L165 HydrophobicContact CB-CD2 4.47Å; N139-L165 VanDerWaalsContact O-CD2 3.31Å; N139-L165 WeakPolarHBondContact O-CD2 3.35Å; L157-L165 HydrophobicContact CD1-CD2 4.48Å; L157-L165 HydrophobicContact CD2-CD1 4.15Å; L157-L165 HydrophobicContact CG-CD1 4.21Å; L165-I167 HydrophobicContact CB-CD1 4.46Å; L165-I167 HydrophobicContact CB-CG1 4.38Å; L165-F247 CarbonylContact O-C 3.53Å; L165-F247 WeakPolarHBondContact O-CA 3.45Å; L165-V248 HydrophobicContact CB-CB 4.08Å; L165-V248 HydrophobicContact CB-CG2 4.01Å; L165-V248 PolarHBondContact N-O 3.08Å; L165-V248 PolarHBondContact O-N 2.85Å; L165-T258 HydrophobicContact CD1-CG2 3.95Å; L165-I260 HydrophobicContact CD1-CD1 4.43Å
166L97.4Very high95.1Very high1 Ų134.5 Ų34.51%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-123.3105.9172.9-162.4150.4000109.1C137 L138 M204 F206 A209 T245 L246C137-L166 CarbonylContact C-O 3.58Å; C137-L166 VanDerWaalsContact CA-O 3.3Å; C137-L166 WeakPolarHBondContact CA-O 3.42Å; L138-L166 HydrophobicContact CB-CB 4.06Å; L138-L166 HydrophobicContact CD1-CB 4.3Å; L138-L166 HydrophobicContact CD1-CD1 4.44Å; L138-L166 HydrophobicContact CD1-CD2 4.17Å; L138-L166 HydrophobicContact CG-CB 4.35Å; L138-L166 HydrophobicContact CG-CD2 4.43Å; L138-L166 PolarHBondContact N-O 3.28Å; L138-L166 PolarHBondContact O-N 2.85Å; L166-M204 HydrophobicContact CD1-CB 4.42Å; L166-M204 HydrophobicContact CD1-CG 4.14Å; L166-M204 VanDerWaalsContact CD1-O 3.23Å; L166-M204 WeakPolarHBondContact CD1-O 3.43Å; L166-M204 WeakPolarHBondContact CD2-O 3.3Å; L166-F206 HydrophobicContact CB-CE1 3.97Å; L166-F206 HydrophobicContact CB-CZ 4.08Å; L166-A209 HydrophobicContact CD1-CB 4.21Å; L166-T245 HydrophobicContact CD2-CG2 3.55Å; L166-T245 HydrophobicContact CG-CG2 4.01Å; L166-L246 WeakPolarHBondContact CA-O 3.36Å
167I97.4Very high95.3Very high1 Ų133.7 Ų33.71%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-111.9115-172.1-57.1164000108.6F146 L157 L165 I169 T245 L246 I260 L263F146-I167 HydrophobicContact CD2-CG2 3.66Å; F146-I167 HydrophobicContact CE2-CG2 3.33Å; F146-I167 HydrophobicContact CZ-CG2 4.37Å; L157-I167 HydrophobicContact CD2-CD1 3.65Å; L157-I167 HydrophobicContact CD2-CG1 4.09Å; L165-I167 HydrophobicContact CB-CD1 4.46Å; L165-I167 HydrophobicContact CB-CG1 4.38Å; I167-I169 HydrophobicContact CG2-CD1 4.28Å; I167-I169 HydrophobicContact CG2-CG1 4.26Å; I167-T245 CarbonylContact O-C 3.59Å; I167-T245 VanDerWaalsContact O-CA 3.3Å; I167-T245 WeakPolarHBondContact O-CA 2.99Å; I167-L246 HydrophobicContact CB-CB 4.35Å; I167-L246 PolarHBondContact N-O 3.21Å; I167-L246 PolarHBondContact O-N 3.39Å; I167-I260 HydrophobicContact CD1-CD1 3.79Å; I167-L263 HydrophobicContact CD1-CD2 4.4Å; I167-L263 HydrophobicContact CG2-CD2 4.12Å
168T97Very high95.2Very high19 Ų1936.6 Ų36.612%0.11720%0.195CC..EExtended strand (participates in β ladder)trans-106122.5175.2-63.70000110.1C135 E136 V244 T245C135-T168 CarbonylContact C-O 3.32Å; C135-T168 WeakPolarHBondContact CA-O 3.28Å; C135-T168 WeakPolarHBondContact CB-O 3.11Å; E136-T168 PolarHBondContact N-O 3.08Å; E136-T168 PolarHBondContact O-N 3.36Å; T168-V244 WeakPolarHBondContact CA-O 3.43Å; T168-T245 WeakPolarHBondContact OG1-CG2 3.08Å; T168-T245 PolarHBondContact OG1-OG1 3.34Å
169I96.4Very high95.1Very high4 Ų434.9 Ų34.92%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-113.9119.6176-68.8164.8000108.8V130 F146 I167 F171 S243 V244 L263 F265V130-I169 HydrophobicContact CG1-CG2 3.98Å; V130-I169 HydrophobicContact CG2-CG2 3.86Å; F146-I169 HydrophobicContact CE2-CD1 4.32Å; F146-I169 HydrophobicContact CE2-CG1 4.08Å; F146-I169 HydrophobicContact CZ-CD1 4.39Å; F146-I169 HydrophobicContact CZ-CG1 3.83Å; I167-I169 HydrophobicContact CG2-CD1 4.28Å; I167-I169 HydrophobicContact CG2-CG1 4.26Å; I169-F171 HydrophobicContact CG2-CE1 4.26Å; I169-F171 HydrophobicContact CG2-CE2 4.39Å; I169-F171 HydrophobicContact CG2-CZ 4.05Å; I169-S243 CarbonylContact O-C 3.58Å; I169-S243 VanDerWaalsContact O-CA 3.3Å; I169-S243 WeakPolarHBondContact O-CA 3.47Å; I169-V244 HydrophobicContact CB-CG1 3.86Å; I169-V244 HydrophobicContact CG2-CG1 4.37Å; I169-V244 PolarHBondContact N-O 2.97Å; I169-V244 PolarHBondContact O-N 3.44Å; I169-L263 HydrophobicContact CD1-CD2 3.69Å; I169-L263 HydrophobicContact CD1-CG 4.22Å; I169-F265 HydrophobicContact CD1-CD2 4.39Å; I169-F265 HydrophobicContact CD1-CE2 3.8Å
170A95.6Very high95Very high16 Ų1634.8 Ų34.813%0.13219%0.187CC..EExtended strand (participates in β ladder)trans-94.6144.9172.300000110.8N131 G134N131-A170 HydrophobicContact CB-CB 4.38Å; N131-A170 PolarHBondContact N-O 3.13Å; G134-A170 WeakPolarHBondContact O-CB 3.11Å
171F95.3Very high95Very high15 Ų1530.8 Ų30.87%0.06617%0.165CC..EExtended strand (participates in β ladder)trans-107.4144.1173.7-60.8-79.7000110.6L126 F129 V130 I169 Q173 V175 L177 V241 Q242 V244 F265L126-F171 HydrophobicContact CB-CE1 4.15Å; F129-F171 HydrophobicContact CB-CD1 4.15Å; F129-F171 CarbonylContact O-C 3.58Å; F129-F171 WeakPolarHBondContact O-CA 3.49Å; V130-F171 HydrophobicContact CG2-CD1 4.21Å; V130-F171 HydrophobicContact CG2-CE1 3.92Å; I169-F171 HydrophobicContact CG2-CE1 4.26Å; I169-F171 HydrophobicContact CG2-CE2 4.39Å; I169-F171 HydrophobicContact CG2-CZ 4.05Å; F171-Q173 VanDerWaalsContact CB-O 3.25Å; F171-Q173 WeakPolarHBondContact CB-O 3.38Å; F171-Q173 PolarHBondContact O-N 3.19Å; F171-V175 HydrophobicContact CB-CG1 4.48Å; F171-V175 HydrophobicContact CB-CG2 4.5Å; F171-V175 HydrophobicContact CD1-CG1 4.26Å; F171-V175 HydrophobicContact CD1-CG2 4.04Å; F171-V175 HydrophobicContact CD2-CG2 3.65Å; F171-V175 HydrophobicContact CE1-CG2 4.14Å; F171-V175 HydrophobicContact CE2-CG2 3.76Å; F171-V175 HydrophobicContact CG-CG1 4.33Å; F171-V175 HydrophobicContact CG-CG2 3.79Å; F171-V175 HydrophobicContact CZ-CG2 4.01Å; F171-L177 HydrophobicContact CE2-CD2 4.31Å; F171-L177 HydrophobicContact CZ-CD2 4.08Å; F171-V241 HydrophobicContact CD2-CG1 4.4Å; F171-V241 HydrophobicContact CE2-CG1 4.18Å; F171-Q242 PolarHBondContact N-O 3.19Å; F171-V244 HydrophobicContact CE2-CG1 3.83Å; F171-V244 HydrophobicContact CZ-CG1 4.2Å; F171-F265 HydrophobicContact CZ-CD2 4.12Å
172N91.1Very high95.1Very high95 Ų9525.9 Ų25.951%0.50813%0.131SC..EExtended strand (participates in β ladder)trans-70.5-15.5177.1638.2000113.2F129 N131F129-N172 WeakPolarHBondContact CA-OD1 3.44Å; F129-N172 VanDerWaalsContact O-CG 3.3Å; F129-N172 PolarHBondContact O-N 3.35Å; F129-N172 PolarHBondContact O-OD1 3.4Å; F129-N172 VanDerWaalsContact O-OD1 3.13Å; N131-N172 HydrophobicContact CB-CB 4.47Å
173Q89.3Confident95Very high68 Ų6824.1 Ų24.132%0.31812%0.121SC..EExtended strand (participates in β ladder)trans-150.9160.217366.6-175.219.200110.1F129 F171 V175F129-Q173 HydrophobicContact CD1-CG 3.92Å; F129-Q173 VanDerWaalsContact CD1-NE2 3.26Å; F129-Q173 HydrophobicContact CE1-CG 4.49Å; F171-Q173 VanDerWaalsContact CB-O 3.25Å; F171-Q173 WeakPolarHBondContact CB-O 3.38Å; F171-Q173 PolarHBondContact O-N 3.19Å; Q173-V175 PolarHBondContact O-N 3.13Å
174P94.1Very high94.8Very high38 Ų3821.6 Ų21.625%0.24711%0.111CC..EExtended strand (participates in β ladder)trans-64.8134.3179-17.328.9000112.6N240 V241 Q242 V270P174-N240 WeakPolarHBondContact CB-OD1 3.33Å; P174-V241 WeakPolarHBondContact CA-O 3.34Å; P174-Q242 HydrophobicContact CB-CG 4.21Å; P174-Q242 HydrophobicContact CG-CG 4.02Å; P174-V270 HydrophobicContact CB-CB 4.23Å; P174-V270 HydrophobicContact CB-CG2 3.85Å; P174-V270 WeakPolarHBondContact O-CB 3.36Å; P174-V270 WeakPolarHBondContact O-CG2 3.49Å; P174-V270 PolarHBondContact O-N 2.63Å
175V95.2Very high94.5Very high0 Ų025 Ų250%014%0.138CC..EExtended strand (participates in β ladder)trans-121.8164.9179.8-610000112.4L126 F129 F171 Q173 L177 V241 T268L126-V175 HydrophobicContact CD1-CB 4.04Å; L126-V175 HydrophobicContact CD1-CG1 4.44Å; L126-V175 HydrophobicContact CD1-CG2 4.03Å; L126-V175 HydrophobicContact CD2-CG1 4.25Å; F129-V175 HydrophobicContact CB-CG1 4.25Å; F129-V175 HydrophobicContact CG-CG1 4.43Å; F171-V175 HydrophobicContact CB-CG1 4.48Å; F171-V175 HydrophobicContact CB-CG2 4.5Å; F171-V175 HydrophobicContact CD1-CG1 4.26Å; F171-V175 HydrophobicContact CD1-CG2 4.04Å; F171-V175 HydrophobicContact CD2-CG2 3.65Å; F171-V175 HydrophobicContact CE1-CG2 4.14Å; F171-V175 HydrophobicContact CE2-CG2 3.76Å; F171-V175 HydrophobicContact CG-CG1 4.33Å; F171-V175 HydrophobicContact CG-CG2 3.79Å; F171-V175 HydrophobicContact CZ-CG2 4.01Å; Q173-V175 PolarHBondContact O-N 3.13Å; V175-L177 HydrophobicContact CG2-CD2 3.61Å; V175-L177 HydrophobicContact CG2-CG 4.49Å; V175-V241 HydrophobicContact CG2-CB 4.2Å; V175-V241 WeakPolarHBondContact CG2-O 3.42Å; V175-V241 PolarHBondContact N-O 2.05Å; V175-V241 PolarHBondContact O-N 3.32Å; V175-T268 CarbonylContact C-O 3.57Å; V175-T268 WeakPolarHBondContact CA-O 3.48Å
176K94.9Very high94.3Very high52 Ų5227.2 Ų27.223%0.22615%0.15CC..EExtended strand (participates in β ladder)trans-110.4120170.4-53.7-172.6179.9178.90108.2Y235 F238 Q239 G267 T268 V270K176-Y235 HydrophobicContact CB-CE2 3.88Å; K176-Y235 HydrophobicContact CD-CE2 4.31Å; K176-Y235 WeakPolarHBondContact CD-OH 3.27Å; K176-F238 CarbonylContact C-O 3.51Å; K176-F238 WeakPolarHBondContact CA-O 3.26Å; K176-Q239 WeakPolarHBondContact CG-O 3.13Å; K176-G267 WeakPolarHBondContact O-CA 3.47Å; K176-T268 PolarHBondContact N-O 3.5Å; K176-T268 PolarHBondContact O-N 2.96Å; K176-V270 HydrophobicContact CG-CG2 3.92Å
177L95.8Very high94.1Very high0 Ų030.3 Ų30.30%017%0.166CC..EExtended strand (participates in β ladder)trans-93125.3-180-48.3-178.1000109.7L126 F171 V175 L233 Y235 F238 V241 V244 F265L126-L177 HydrophobicContact CD1-CD2 3.43Å; L126-L177 VanDerWaalsContact CD1-CD2 3.43Å; F171-L177 HydrophobicContact CE2-CD2 4.31Å; F171-L177 HydrophobicContact CZ-CD2 4.08Å; V175-L177 HydrophobicContact CG2-CD2 3.61Å; V175-L177 HydrophobicContact CG2-CG 4.49Å; L177-L233 HydrophobicContact CB-CD1 3.8Å; L177-L233 HydrophobicContact CD1-CD1 4.32Å; L177-Y235 WeakPolarHBondContact O-CD2 3.32Å; L177-F238 HydrophobicContact CB-CB 3.79Å; L177-F238 HydrophobicContact CB-CG 4.3Å; L177-F238 HydrophobicContact CD1-CD1 4.11Å; L177-F238 HydrophobicContact CG-CB 4.28Å; L177-F238 PolarHBondContact N-O 2.97Å; L177-V241 HydrophobicContact CD1-CB 4.36Å; L177-V241 HydrophobicContact CD1-CG1 4.06Å; L177-V241 HydrophobicContact CD1-CG2 4.12Å; L177-V241 HydrophobicContact CG-CB 4.24Å; L177-V241 HydrophobicContact CG-CG1 4.44Å; L177-V241 HydrophobicContact CG-CG2 3.98Å; L177-V244 HydrophobicContact CD1-CB 4.32Å; L177-V244 HydrophobicContact CD1-CG2 4.25Å; L177-F265 HydrophobicContact CD1-CD1 3.92Å; L177-F265 HydrophobicContact CD1-CE1 4.07Å; L177-F265 HydrophobicContact CD1-CG 4.48Å; L177-F265 HydrophobicContact CD2-CB 4.01Å; L177-F265 HydrophobicContact CD2-CD1 4.27Å; L177-F265 HydrophobicContact CD2-CG 4.21Å
178F93.1Very high94Very high61 Ų6132 Ų3227%0.26818%0.18SC..EExtended strand (participates in β ladder)trans-101-49.4178173.4-101.3000111.2P120 Y123 L233 Y235 I266P120-F178 HydrophobicContact CG-CE1 4.03Å; Y123-F178 HydrophobicContact CD1-CB 3.67Å; Y123-F178 HydrophobicContact CD1-CD1 4.45Å; Y123-F178 HydrophobicContact CD1-CD2 4.49Å; Y123-F178 AromaticContact CD1-CG 3.96Å; Y123-F178 HydrophobicContact CD1-CG 3.96Å; Y123-F178 AromaticContact CD2-CD1 3.97Å; Y123-F178 HydrophobicContact CD2-CD1 3.97Å; Y123-F178 HydrophobicContact CD2-CE1 4.26Å; Y123-F178 HydrophobicContact CD2-CG 4.11Å; Y123-F178 HydrophobicContact CE1-CB 3.59Å; Y123-F178 HydrophobicContact CE1-CD1 4.47Å; Y123-F178 AromaticContact CE1-CD2 3.76Å; Y123-F178 HydrophobicContact CE1-CD2 3.76Å; Y123-F178 AromaticContact CE1-CG 3.67Å; Y123-F178 HydrophobicContact CE1-CG 3.67Å; Y123-F178 AromaticContact CE2-CD1 3.98Å; Y123-F178 HydrophobicContact CE2-CD1 3.98Å; Y123-F178 AromaticContact CE2-CD2 3.77Å; Y123-F178 HydrophobicContact CE2-CD2 3.77Å; Y123-F178 HydrophobicContact CE2-CE1 4.08Å; Y123-F178 AromaticContact CE2-CE2 3.87Å; Y123-F178 HydrophobicContact CE2-CE2 3.87Å; Y123-F178 AromaticContact CE2-CG 3.83Å; Y123-F178 HydrophobicContact CE2-CG 3.83Å; Y123-F178 HydrophobicContact CE2-CZ 4.02Å; Y123-F178 HydrophobicContact CG-CB 4.22Å; Y123-F178 HydrophobicContact CG-CD1 4.21Å; Y123-F178 HydrophobicContact CG-CG 4.16Å; Y123-F178 AromaticContact CZ-CD2 3.34Å; Y123-F178 AromaticContact CZ-CE2 3.78Å; Y123-F178 AromaticContact CZ-CG 3.59Å; Y123-F178 VanDerWaalsContact OH-CD2 3.3Å; Y123-F178 WeakPolarHBondContact OH-CD2 3.4Å; F178-L233 WeakPolarHBondContact O-CB 3.48Å; F178-L233 PolarHBondContact O-N 2.89Å; F178-Y235 HydrophobicContact CB-CD2 4.35Å; F178-Y235 HydrophobicContact CD2-CD2 4.41Å; F178-I266 WeakPolarHBondContact CB-O 3.23Å; F178-I266 PolarHBondContact N-O 3.46Å
179S95.1Very high94Very high1 Ų134.4 Ų34.41%0.00719%0.187CC..EExtended strand (participates in β ladder)trans-145.8171.6175.1540000109.8I231 I266S179-I231 CarbonylContact C-O 3.6Å; S179-I231 VanDerWaalsContact CA-O 3.25Å; S179-I231 WeakPolarHBondContact CA-O 3.49Å; S179-I231 WeakPolarHBondContact CB-O 3.38Å; S179-I266 PolarHBondContact N-O 2.97Å; S179-I266 VanDerWaalsContact N-O 3.13Å; S179-I266 PolarHBondContact O-N 3.18Å; S179-I266 VanDerWaalsContact O-O 3.12Å; S179-I266 WeakPolarHBondContact OG-CB 3.46Å
180M95.4Very high94Very high0 Ų034.2 Ų34.20%019%0.186CC..EExtended strand (participates in β ladder)trans-124.1159.5165.970.8-174.5-16500109.3L182 L194 L218 L220 I231 L233 L246 T264 F265M180-L182 HydrophobicContact CE-CD1 3.78Å; M180-L182 HydrophobicContact CE-CG 4.38Å; M180-L194 HydrophobicContact CE-CD1 3.91Å; M180-L218 HydrophobicContact CE-CD1 3.5Å; M180-L218 VanDerWaalsContact CE-CD1 3.5Å; M180-L218 HydrophobicContact SD-CD1 4.26Å; M180-L220 HydrophobicContact CE-CD1 4.49Å; M180-I231 HydrophobicContact CE-CB 4.18Å; M180-I231 HydrophobicContact CE-CD1 3.68Å; M180-I231 HydrophobicContact CE-CG2 3.89Å; M180-I231 HydrophobicContact CG-CB 3.86Å; M180-I231 HydrophobicContact CG-CD1 4.27Å; M180-I231 HydrophobicContact CG-CG2 4.29Å; M180-I231 PolarHBondContact N-O 2.86Å; M180-I231 PolarHBondContact O-N 2.92Å; M180-L233 HydrophobicContact CB-CD1 4.41Å; M180-L233 HydrophobicContact SD-CD2 4.41Å; M180-L246 HydrophobicContact SD-CD2 4.39Å; M180-T264 WeakPolarHBondContact CA-O 3.36Å; M180-F265 HydrophobicContact CB-CD1 3.63Å; M180-F265 HydrophobicContact CB-CE1 3.71Å; M180-F265 HydrophobicContact CB-CG 4.48Å; M180-F265 HydrophobicContact SD-CE1 4.25Å
181K93.7Very high94.1Very high16 Ų1633.5 Ų33.57%0.0718%0.18CC..EExtended strand (participates in β ladder)trans-123.1130.4174.6-175.5167.8-171.9166.80108.1D118 D227 L230 L263 T264D118-K181 IonicContact OD2-NZ 3.86Å; K181-D227 WeakPolarHBondContact CE-O 3.21Å; K181-D227 PolarHBondContact NZ-O 3.43Å; K181-L230 HydrophobicContact CB-CD2 4.06Å; K181-L230 HydrophobicContact CD-CD2 4.28Å; K181-L230 HydrophobicContact CG-CD2 4.48Å; K181-L263 WeakPolarHBondContact O-CA 2.97Å; K181-T264 HydrophobicContact CB-CG2 3.83Å; K181-T264 PolarHBondContact N-O 3.12Å; K181-T264 PolarHBondContact O-N 2.98Å
182L93.9Very high94.2Very high2 Ų235.8 Ų35.81%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-123.8134.9174.2-76.1175.1000108.1M180 L194 L220 Y225 I231 I260 Y262 L263M180-L182 HydrophobicContact CE-CD1 3.78Å; M180-L182 HydrophobicContact CE-CG 4.38Å; L182-L194 HydrophobicContact CD1-CD1 3.74Å; L182-L220 HydrophobicContact CD1-CD1 3.82Å; L182-Y225 HydrophobicContact CB-CD1 4.39Å; L182-Y225 HydrophobicContact CB-CE1 3.84Å; L182-I231 HydrophobicContact CB-CD1 4.03Å; L182-I231 HydrophobicContact CD1-CD1 3.93Å; L182-I231 HydrophobicContact CG-CD1 4.12Å; L182-I260 HydrophobicContact CD2-CD1 4.46Å; L182-I260 HydrophobicContact CD2-CG2 3.89Å; L182-Y262 CarbonylContact C-O 3.58Å; L182-Y262 VanDerWaalsContact CA-O 3.3Å; L182-Y262 WeakPolarHBondContact CA-O 3.31Å; L182-L263 HydrophobicContact CD2-CB 3.91Å; L182-L263 HydrophobicContact CD2-CD1 3.54Å; L182-L263 HydrophobicContact CD2-CG 4.21Å; L182-L263 HydrophobicContact CG-CD1 4.34Å
183Q92.9Very high94.5Very high22 Ų2232.9 Ų32.910%0.10318%0.175CC..EExtended strand (participates in β ladder)trans-123.3140.7170.7-54-173.6-62.700109.5D227 N261 Y262Q183-D227 PolarHBondContact NE2-OD1 3.27Å; Q183-N261 WeakPolarHBondContact O-CB 3.47Å; Q183-N261 PolarHBondContact O-N 3.33Å; Q183-Y262 HydrophobicContact CG-CD1 4.26Å; Q183-Y262 PolarHBondContact N-O 3.33Å; Q183-Y262 PolarHBondContact O-N 3.41Å
184C92.4Very high94.9Very high13 Ų1329.7 Ų29.79%0.08816%0.161CC..  trans-146.1130.8173.1-166.50000108.9D186 A190 Y225 K259 N261C184-D186 PolarHBondContact SG-O 2.96Å; C184-A190 HydrophobicContact CB-CB 3.69Å; C184-Y225 HydrophobicContact CB-CD1 4.04Å; C184-Y225 HydrophobicContact CB-CE1 4.26Å; C184-K259 PolarHBondContact SG-O 3.49Å; C184-N261 WeakPolarHBondContact CA-OD1 3.3Å
185S89.9Confident95.1Very high101 Ų10129.2 Ų29.271%0.70616%0.155SC*.SBendtrans-76.6-29.8175.550.90000112.4N261S185-N261 WeakPolarHBondContact CB-OD1 3.2Å; S185-N261 PolarHBondContact N-OD1 3.33Å; S185-N261 PolarHBondContact OG-OD1 3.18Å
186D93.3Very high95.2Very high46 Ų4629.2 Ų29.225%0.24616%0.155CC..  trans-104.195.2175-172.6-14.5000109.4C184 A188 R189 A190C184-D186 PolarHBondContact SG-O 2.96Å; D186-A188 PolarHBondContact O-N 2.88Å; D186-A188 PolarHBondContact OD1-N 2.95Å; D186-R189 HydrophobicContact CB-CB 4.4Å; D186-R189 CarbonylContact O-C 3.53Å; D186-R189 PolarHBondContact O-N 3.46Å; D186-R189 VanDerWaalsContact O-N 3.17Å; D186-R189 IonicContact OD2-CZ 2.75Å; D186-R189 IonicContact OD2-NE 3.51Å; D186-R189 PolarHBondContact OD2-NE 3.36Å; D186-R189 IonicContact OD2-NH2 3.78Å; D186-R189 PolarHBondContact OD2-NH2 3.29Å; D186-A190 PolarHBondContact O-N 3.05Å; D186-A190 VanDerWaalsContact O-N 3.09Å
187L94.1Very high95.4Very high67 Ų6727.1 Ų27.135%0.35115%0.145SC..SBendtrans-62.4-29.6-176.1-67.6179.5000112.9R189 A190 Y225 Q252L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 2.89Å; L187-A190 WeakPolarHBondContact O-CB 3.12Å; L187-A190 PolarHBondContact O-N 3.46Å; L187-Y225 HydrophobicContact CD2-CG 4.13Å; L187-Q252 VanDerWaalsContact O-CB 3.24Å; L187-Q252 WeakPolarHBondContact O-CB 3.48Å; L187-Q252 WeakPolarHBondContact O-CG 3.31Å
188A95.3Very high95.5Very high35 Ų3528.9 Ų28.929%0.28915%0.154SC..THydrogen-bonded Turntrans-67-36.3178.200000111.4D186 Q252 G253 E255D186-A188 PolarHBondContact O-N 2.88Å; D186-A188 PolarHBondContact OD1-N 2.95Å; A188-Q252 PolarHBondContact O-N 3.23Å; A188-G253 WeakPolarHBondContact O-CA 3.32Å; A188-G253 PolarHBondContact O-N 3.17Å; A188-E255 HydrophobicContact CB-CG 4Å
189R96.2Very high95.6Very high71 Ų7129.2 Ų29.227%0.26816%0.159SC..THydrogen-bonded Turntrans-89.61.7175.9-70.3-168.3-92.5-161.9-16.5114.1E158 D186 L187 E255 T257 T258 K259E158-R189 IonicContact OE1-NH1 3.67Å; E158-R189 PolarHBondContact OE1-NH1 3.5Å; D186-R189 HydrophobicContact CB-CB 4.4Å; D186-R189 CarbonylContact O-C 3.53Å; D186-R189 PolarHBondContact O-N 3.46Å; D186-R189 VanDerWaalsContact O-N 3.17Å; D186-R189 IonicContact OD2-CZ 2.75Å; D186-R189 IonicContact OD2-NE 3.51Å; D186-R189 PolarHBondContact OD2-NE 3.36Å; D186-R189 IonicContact OD2-NH2 3.78Å; D186-R189 PolarHBondContact OD2-NH2 3.29Å; L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 2.89Å; R189-E255 HydrophobicContact CG-CB 3.65Å; R189-E255 HydrophobicContact CG-CG 3.73Å; R189-T257 WeakPolarHBondContact CD-O 3.19Å; R189-T257 VanDerWaalsContact CG-O 3.28Å; R189-T257 WeakPolarHBondContact CG-O 3.39Å; R189-T258 CarbonylContact O-C 3.58Å; R189-T258 VanDerWaalsContact O-CA 3.31Å; R189-T258 WeakPolarHBondContact O-CA 3.49Å; R189-K259 HydrophobicContact CB-CB 4.12Å; R189-K259 HydrophobicContact CB-CG 4.12Å; R189-K259 PolarHBondContact O-N 3.02Å
190A96.6Very high95.5Very high0 Ų031.4 Ų31.40%017%0.17CC..SBendtrans-69.6147.1176.700000110.8C184 D186 L187 Y225 N251 Q252C184-A190 HydrophobicContact CB-CB 3.69Å; D186-A190 PolarHBondContact O-N 3.05Å; D186-A190 VanDerWaalsContact O-N 3.09Å; L187-A190 WeakPolarHBondContact O-CB 3.12Å; L187-A190 PolarHBondContact O-N 3.46Å; A190-Y225 HydrophobicContact CB-CD1 4.09Å; A190-Y225 HydrophobicContact CB-CD2 4.18Å; A190-Y225 HydrophobicContact CB-CE1 3.75Å; A190-Y225 HydrophobicContact CB-CE2 3.86Å; A190-Y225 HydrophobicContact CB-CG 4.3Å; A190-N251 CarbonylContact O-C 3.54Å; A190-N251 WeakPolarHBondContact O-CA 3.35Å; A190-N251 WeakPolarHBondContact O-CB 3.48Å; A190-Q252 HydrophobicContact CB-CG 4.21Å; A190-Q252 WeakPolarHBondContact O-CG 3.18Å; A190-Q252 PolarHBondContact O-N 3.48Å
191P97.8Very high95.1Very high1 Ų137.7 Ų37.71%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-53.6148.6175.2-25.430.4000113.6L194 Y225 V248 Q252 T258 I260P191-L194 HydrophobicContact CB-CD1 3.91Å; P191-L194 HydrophobicContact CB-CG 4.24Å; P191-Y225 WeakPolarHBondContact CA-OH 3.4Å; P191-Y225 VanDerWaalsContact CB-OH 3.3Å; P191-Y225 WeakPolarHBondContact CB-OH 3.21Å; P191-Y225 VanDerWaalsContact CD-OH 3.25Å; P191-Y225 WeakPolarHBondContact CD-OH 3.34Å; P191-Y225 WeakPolarHBondContact O-CE2 3.28Å; P191-Y225 PolarHBondContact O-OH 2.93Å; P191-V248 HydrophobicContact CB-CG1 3.94Å; P191-V248 HydrophobicContact CB-CG2 4.33Å; P191-V248 HydrophobicContact CG-CG1 4.32Å; P191-V248 HydrophobicContact CG-CG2 4.23Å; P191-Q252 PolarHBondContact O-NE2 3.08Å; P191-T258 HydrophobicContact CG-CG2 3.83Å; P191-I260 HydrophobicContact CG-CD1 3.92Å; P191-I260 HydrophobicContact CG-CG1 3.89Å
192K97.8Very high94.8Very high62 Ų6245 Ų4527%0.2724%0.238SC..EExtended strand (participates in β ladder)trans-122.6-59.9175-177.4-178.6-171.5167.90111E219 L220 S250 N251 Q252K192-E219 CarbonylContact O-C 3.52Å; K192-E219 WeakPolarHBondContact O-CA 3.42Å; K192-L220 PolarHBondContact O-N 2.87Å; K192-S250 PolarHBondContact N-O 2.85Å; K192-N251 VanDerWaalsContact CB-C 3.47Å; K192-N251 VanDerWaalsContact CB-O 3.31Å; K192-N251 WeakPolarHBondContact CB-O 3.47Å; K192-Q252 HydrophobicContact CB-CG 4.44Å
193V98Very high94.4Very high34 Ų3448.9 Ų48.921%0.20627%0.266CS..EExtended strand (participates in β ladder)trans-103.2118.7179.5-178.30000109.1L218 K249 S250V193-L218 WeakPolarHBondContact CA-O 3.45Å; V193-K249 HydrophobicContact CB-CB 4.2Å; V193-K249 HydrophobicContact CG1-CB 4.16Å; V193-K249 HydrophobicContact CG1-CD 4.33Å; V193-K249 PolarHBondContact O-N 3.11Å; V193-S250 PolarHBondContact N-O 3.2Å
194L97.4Very high94.3Very high2 Ų248.6 Ų48.61%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-122.6134.9-179.1-86.3154.7000110.6M180 L182 P191 T217 L218 L220 L246 F247 V248M180-L194 HydrophobicContact CE-CD1 3.91Å; L182-L194 HydrophobicContact CD1-CD1 3.74Å; P191-L194 HydrophobicContact CB-CD1 3.91Å; P191-L194 HydrophobicContact CB-CG 4.24Å; L194-T217 CarbonylContact O-C 3.55Å; L194-T217 WeakPolarHBondContact O-CA 3.47Å; L194-L218 HydrophobicContact CB-CB 4.18Å; L194-L218 PolarHBondContact N-O 3.36Å; L194-L218 PolarHBondContact O-N 2.82Å; L194-L220 HydrophobicContact CD1-CD1 3.39Å; L194-L220 HydrophobicContact CD1-CG 4.1Å; L194-L246 HydrophobicContact CD2-CB 4.27Å; L194-F247 WeakPolarHBondContact CA-O 3.47Å; L194-V248 HydrophobicContact CD2-CB 4.26Å; L194-V248 HydrophobicContact CD2-CG2 3.54Å; L194-V248 HydrophobicContact CG-CG2 4.43Å
195K98.3Very high94.4Very high28 Ų2851.4 Ų51.412%0.12228%0.279CS..EExtended strand (participates in β ladder)trans-108130.3166-68.1-167.9-172.9-179.70109.7F197 A209 E210 S212 A214 T217 L246 F247K195-F197 HydrophobicContact CB-CD2 4.38Å; K195-F197 HydrophobicContact CB-CE2 3.56Å; K195-F197 HydrophobicContact CB-CZ 3.99Å; K195-F197 HydrophobicContact CD-CE2 4.25Å; K195-F197 HydrophobicContact CD-CZ 3.92Å; K195-A209 WeakPolarHBondContact CD-O 3.5Å; K195-A209 PolarHBondContact NZ-O 3.31Å; K195-E210 PolarHBondContact NZ-O 3.3Å; K195-S212 PolarHBondContact NZ-O 2.99Å; K195-A214 HydrophobicContact CB-CB 3.84Å; K195-A214 HydrophobicContact CD-CB 4.23Å; K195-A214 HydrophobicContact CG-CB 4.19Å; K195-T217 HydrophobicContact CG-CG2 4.28Å; K195-L246 WeakPolarHBondContact O-CA 3.47Å; K195-F247 HydrophobicContact CB-CB 4.27Å; K195-F247 HydrophobicContact CB-CD1 4.22Å; K195-F247 HydrophobicContact CD-CD1 4.11Å; K195-F247 HydrophobicContact CG-CD1 4.29Å; K195-F247 PolarHBondContact N-O 3.08Å; K195-F247 PolarHBondContact O-N 3.37Å
196V98.2Very high94.7Very high0 Ų049.2 Ų49.20%026%0.257CS..EExtended strand (participates in β ladder)trans-108.7120.2179.6-170.50000109A215 Q216 L218 L233 F238 V244 L246V196-A215 WeakPolarHBondContact O-CA 3.31Å; V196-A215 WeakPolarHBondContact O-CB 3.47Å; V196-A215 PolarHBondContact O-N 3.21Å; V196-Q216 HydrophobicContact CB-CB 4.44Å; V196-Q216 PolarHBondContact N-O 3.3Å; V196-Q216 PolarHBondContact O-N 3.4Å; V196-L218 HydrophobicContact CG2-CD1 3.94Å; V196-L233 HydrophobicContact CG2-CD2 4.47Å; V196-F238 HydrophobicContact CB-CZ 4.43Å; V196-F238 HydrophobicContact CG1-CE1 3.73Å; V196-F238 HydrophobicContact CG1-CZ 4.03Å; V196-V244 HydrophobicContact CG1-CG2 3.71Å; V196-L246 HydrophobicContact CB-CD2 4.24Å; V196-L246 HydrophobicContact CG1-CD2 3.94Å; V196-L246 HydrophobicContact CG2-CD2 3.77Å
197F98.1Very high94.8Very high7 Ų751.9 Ų51.93%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-114.1156.1174.3-56-92.9000109.7K195 L200 M204 A209 A214 V244 T245 F247K195-F197 HydrophobicContact CB-CD2 4.38Å; K195-F197 HydrophobicContact CB-CE2 3.56Å; K195-F197 HydrophobicContact CB-CZ 3.99Å; K195-F197 HydrophobicContact CD-CE2 4.25Å; K195-F197 HydrophobicContact CD-CZ 3.92Å; F197-L200 HydrophobicContact CB-CD1 3.8Å; F197-L200 HydrophobicContact CB-CD2 4.2Å; F197-L200 HydrophobicContact CB-CG 4.09Å; F197-L200 HydrophobicContact CG-CD1 4.39Å; F197-M204 HydrophobicContact CD1-CE 4.12Å; F197-M204 HydrophobicContact CD1-SD 4.15Å; F197-M204 HydrophobicContact CD2-SD 3.86Å; F197-M204 HydrophobicContact CE1-CE 4.15Å; F197-M204 HydrophobicContact CE1-SD 4.15Å; F197-M204 HydrophobicContact CE2-SD 3.86Å; F197-M204 HydrophobicContact CG-CE 4.48Å; F197-M204 HydrophobicContact CG-SD 4Å; F197-M204 HydrophobicContact CZ-SD 4.01Å; F197-A209 HydrophobicContact CE2-CB 4.33Å; F197-A214 HydrophobicContact CD1-CB 4.3Å; F197-A214 VanDerWaalsContact CE1-CA 3.5Å; F197-A214 HydrophobicContact CE1-CB 3.91Å; F197-A214 HydrophobicContact CE2-CB 4.39Å; F197-A214 HydrophobicContact CZ-CB 3.97Å; F197-V244 CarbonylContact O-C 3.57Å; F197-V244 WeakPolarHBondContact O-CA 3.32Å; F197-V244 WeakPolarHBondContact O-CG2 3.46Å; F197-T245 PolarHBondContact N-O 3.08Å; F197-T245 PolarHBondContact O-N 2.79Å; F197-F247 HydrophobicContact CE2-CB 4.16Å
198I97.4Very high94.8Very high37 Ų3750.5 Ų50.519%0.1926%0.264CS..EExtended strand (participates in β ladder)trans-139.3148.8178.255.1174.3000111.4L200 A215 K237 F238 V241 S243 V244I198-L200 PolarHBondContact O-N 3.47Å; I198-A215 HydrophobicContact CG1-CB 4.19Å; I198-K237 WeakPolarHBondContact CD1-O 3.25Å; I198-F238 HydrophobicContact CD1-CD1 4.1Å; I198-F238 HydrophobicContact CD1-CE1 4.43Å; I198-F238 HydrophobicContact CG2-CD1 3.64Å; I198-F238 HydrophobicContact CG2-CE1 3.66Å; I198-V241 HydrophobicContact CB-CG1 4.2Å; I198-V241 HydrophobicContact CD1-CG2 4.23Å; I198-V241 HydrophobicContact CG2-CG1 3.75Å; I198-V241 HydrophobicContact CG2-CG2 4.03Å; I198-S243 CarbonylContact C-O 3.02Å; I198-S243 VanDerWaalsContact CA-O 3.27Å; I198-S243 WeakPolarHBondContact CA-O 3.37Å; I198-V244 HydrophobicContact CG2-CB 4.29Å; I198-V244 HydrophobicContact CG2-CG2 4.17Å
199N95.8Very high94.8Very high68 Ų6848.9 Ų48.936%0.36425%0.25SS..SBendtrans51.642.1171.5-54.5-30.1000113.1N240 Q242 S243N199-N240 PolarHBondContact ND2-O 2.79Å; N199-Q242 PolarHBondContact OD1-N 3.36Å; N199-S243 PolarHBondContact N-O 3.1Å; N199-S243 PolarHBondContact OD1-N 3.3Å
200L93.9Very high94.7Very high47 Ų4749.7 Ų49.725%0.24626%0.257CS..  trans-67.1135178.5-65176.5000109.6F197 I198 R202 M204 T245F197-L200 HydrophobicContact CB-CD1 3.8Å; F197-L200 HydrophobicContact CB-CD2 4.2Å; F197-L200 HydrophobicContact CB-CG 4.09Å; F197-L200 HydrophobicContact CG-CD1 4.39Å; I198-L200 PolarHBondContact O-N 3.47Å; L200-R202 VanDerWaalsContact C-N 3.26Å; L200-R202 PolarHBondContact O-N 3.29Å; L200-M204 HydrophobicContact CD1-CB 3.8Å; L200-M204 HydrophobicContact CD1-CE 3.75Å; L200-M204 HydrophobicContact CD1-CG 4.4Å; L200-M204 HydrophobicContact CD1-SD 3.75Å; L200-M204 HydrophobicContact CD2-CE 4.05Å; L200-T245 HydrophobicContact CD1-CG2 4.48Å
201P85.8Confident94.5Very high133 Ų13359.4 Ų59.486%0.86429%0.294SS*.SBendtrans-76.6-14.6-175.831.1-36.3000113.4
202R87.5Confident94.3Very high168 Ų16861.4 Ų61.463%0.63431%0.308SS*.SBendtrans-143.1160.4178.661.2-179.8-176.31229108.5L200 D208L200-R202 VanDerWaalsContact C-N 3.26Å; L200-R202 PolarHBondContact O-N 3.29Å; R202-D208 IonicContact CZ-OD2 3.59Å; R202-D208 IonicContact NH1-OD2 2.75Å; R202-D208 IonicContact NH2-OD1 2.78Å; R202-D208 IonicContact NH2-OD2 3.36Å; R202-D208 PolarHBondContact NH2-OD2 2.77Å
203S84.9Confident94.1Very high84 Ų8466.2 Ų66.259%0.58734%0.337SS*.  trans-56.6146.4169.950.80000110.1
204M91.8Very high94.1Very high16 Ų1665.6 Ų65.68%0.07934%0.335CS..  trans-109136.2-179.1178.1164.7-85.400108.6L166 F197 L200 D208 A209L166-M204 HydrophobicContact CD1-CB 4.42Å; L166-M204 HydrophobicContact CD1-CG 4.14Å; L166-M204 VanDerWaalsContact CD1-O 3.23Å; L166-M204 WeakPolarHBondContact CD1-O 3.43Å; L166-M204 WeakPolarHBondContact CD2-O 3.3Å; F197-M204 HydrophobicContact CD1-CE 4.12Å; F197-M204 HydrophobicContact CD1-SD 4.15Å; F197-M204 HydrophobicContact CD2-SD 3.86Å; F197-M204 HydrophobicContact CE1-CE 4.15Å; F197-M204 HydrophobicContact CE1-SD 4.15Å; F197-M204 HydrophobicContact CE2-SD 3.86Å; F197-M204 HydrophobicContact CG-CE 4.48Å; F197-M204 HydrophobicContact CG-SD 4Å; F197-M204 HydrophobicContact CZ-SD 4.01Å; L200-M204 HydrophobicContact CD1-CB 3.8Å; L200-M204 HydrophobicContact CD1-CE 3.75Å; L200-M204 HydrophobicContact CD1-CG 4.4Å; L200-M204 HydrophobicContact CD1-SD 3.75Å; L200-M204 HydrophobicContact CD2-CE 4.05Å; M204-D208 HydrophobicContact CE-CB 4.38Å; M204-D208 HydrophobicContact CG-CB 4.01Å; M204-A209 HydrophobicContact CG-CB 3.98Å; M204-A209 HydrophobicContact SD-CB 3.83Å
205D94.7Very high94Very high72 Ų7266.6 Ų66.639%0.38534%0.343SS..  trans-101.3176.8171.360.834000110.8D207 D208 A209D205-D207 PolarHBondContact OD1-N 2.77Å; D205-D208 PolarHBondContact O-N 2.83Å; D205-D208 WeakPolarHBondContact OD1-CB 3.15Å; D205-D208 PolarHBondContact OD1-N 3.24Å; D205-A209 VanDerWaalsContact O-CB 3.31Å; D205-A209 WeakPolarHBondContact O-CB 3.41Å; D205-A209 PolarHBondContact O-N 2.9Å
206F95.9Very high94Very high56 Ų5666.8 Ų66.825%0.24635%0.345CS..Hα-helixtrans-63.4-41.7-177.5-65-79.5000112.5L138 N139 Q164 L166 A209 E210 F247L138-F206 HydrophobicContact CB-CE2 3.84Å; L138-F206 HydrophobicContact CB-CZ 3.84Å; L138-F206 HydrophobicContact CD1-CE2 4.39Å; N139-F206 HydrophobicContact CB-CE2 4.36Å; N139-F206 HydrophobicContact CB-CZ 3.73Å; Q164-F206 HydrophobicContact CB-CD1 3.99Å; Q164-F206 HydrophobicContact CB-CE1 3.76Å; L166-F206 HydrophobicContact CB-CE1 3.97Å; L166-F206 HydrophobicContact CB-CZ 4.08Å; F206-A209 PolarHBondContact O-N 3.36Å; F206-E210 WeakPolarHBondContact O-CG 3.34Å; F206-E210 PolarHBondContact O-N 3.06Å; F206-F247 HydrophobicContact CD1-CD2 4.23Å; F206-F247 AromaticContact CD1-CE2 3.79Å; F206-F247 HydrophobicContact CD1-CE2 3.79Å; F206-F247 HydrophobicContact CE1-CE2 4.36Å
207D94.8Very high93.9Very high101 Ų10170.9 Ų70.954%0.5437%0.37SS..Hα-helixtrans-63.3-45.4178.3-85.2-43.3000112D205 A209 E210 R211D205-D207 PolarHBondContact OD1-N 2.77Å; D207-A209 VanDerWaalsContact C-N 3.35Å; D207-E210 PolarHBondContact O-N 2.98Å; D207-R211 WeakPolarHBondContact O-CG 3.28Å; D207-R211 PolarHBondContact O-N 2.63Å
208D94.3Very high93.9Very high39 Ų3971.3 Ų71.321%0.20937%0.372CS..Hα-helixtrans-62.5-43175.4-81.8-24.4000110.3R202 M204 D205 E210 R211 S212R202-D208 IonicContact CZ-OD2 3.59Å; R202-D208 IonicContact NH1-OD2 2.75Å; R202-D208 IonicContact NH2-OD1 2.78Å; R202-D208 IonicContact NH2-OD2 3.36Å; R202-D208 PolarHBondContact NH2-OD2 2.77Å; M204-D208 HydrophobicContact CE-CB 4.38Å; M204-D208 HydrophobicContact CG-CB 4.01Å; D205-D208 PolarHBondContact O-N 2.83Å; D205-D208 WeakPolarHBondContact OD1-CB 3.15Å; D205-D208 PolarHBondContact OD1-N 3.24Å; D208-E210 PolarHBondContact O-N 2.94Å; D208-R211 PolarHBondContact O-N 2.73Å; D208-S212 WeakPolarHBondContact O-CB 3.33Å; D208-S212 PolarHBondContact O-N 3.21Å; D208-S212 PolarHBondContact O-OG 2.93Å
209A94.6Very high93.8Very high0 Ų076.9 Ų76.90%040%0.398CS..Hα-helixtrans-66.1-35.3-179.900000113L166 K195 F197 M204 D205 F206 D207 F247L166-A209 HydrophobicContact CD1-CB 4.21Å; K195-A209 WeakPolarHBondContact CD-O 3.5Å; K195-A209 PolarHBondContact NZ-O 3.31Å; F197-A209 HydrophobicContact CE2-CB 4.33Å; M204-A209 HydrophobicContact CG-CB 3.98Å; M204-A209 HydrophobicContact SD-CB 3.83Å; D205-A209 VanDerWaalsContact O-CB 3.31Å; D205-A209 WeakPolarHBondContact O-CB 3.41Å; D205-A209 PolarHBondContact O-N 2.9Å; F206-A209 PolarHBondContact O-N 3.36Å; D207-A209 VanDerWaalsContact C-N 3.35Å; A209-F247 HydrophobicContact CB-CB 3.95Å; A209-F247 HydrophobicContact CB-CD1 3.64Å; A209-F247 HydrophobicContact CB-CD2 4.12Å; A209-F247 HydrophobicContact CB-CE1 4.12Å; A209-F247 HydrophobicContact CB-CG 3.63Å
210E94.3Very high93.9Very high89 Ų8974 Ų7442%0.41638%0.382SS..Hα-helixtrans-66.5-42.4176.5-76.7-153.2150.400112.5K195 F206 D207 D208 F247K195-E210 PolarHBondContact NZ-O 3.3Å; F206-E210 WeakPolarHBondContact O-CG 3.34Å; F206-E210 PolarHBondContact O-N 3.06Å; D207-E210 PolarHBondContact O-N 2.98Å; D208-E210 PolarHBondContact O-N 2.94Å; E210-F247 HydrophobicContact CG-CE1 4.05Å; E210-F247 HydrophobicContact CG-CZ 3.99Å
211R93.4Very high93.9Very high203 Ų20374.3 Ų74.377%0.76639%0.388SS*.Hα-helixtrans-87.2-28.1-173.2-62.1171.7-171.1-130.82.4113.3D207 D208D207-R211 WeakPolarHBondContact O-CG 3.28Å; D207-R211 PolarHBondContact O-N 2.63Å; D208-R211 PolarHBondContact O-N 2.73Å
212S93.6Very high94.1Very high44 Ų4473.6 Ų73.631%0.30837%0.374SS..SBendtrans-75.2149.8-174.9-64.80000112.8K195 D208 A214K195-S212 PolarHBondContact NZ-O 2.99Å; D208-S212 WeakPolarHBondContact O-CB 3.33Å; D208-S212 PolarHBondContact O-N 3.21Å; D208-S212 PolarHBondContact O-OG 2.93Å; S212-A214 PolarHBondContact O-N 2.85Å
213N93.7Very high94.2Very high163 Ų16371.2 Ų71.287%0.87237%0.37SS*.  trans-79.2115.7173-71.6-40.5000110
214A96.9Very high94.6Very high21 Ų2168.9 Ų68.917%0.17435%0.351CS..  trans-71.3153.6177.100000112K195 F197 S212 Q216K195-A214 HydrophobicContact CB-CB 3.84Å; K195-A214 HydrophobicContact CD-CB 4.23Å; K195-A214 HydrophobicContact CG-CB 4.19Å; F197-A214 HydrophobicContact CD1-CB 4.3Å; F197-A214 VanDerWaalsContact CE1-CA 3.5Å; F197-A214 HydrophobicContact CE1-CB 3.91Å; F197-A214 HydrophobicContact CE2-CB 4.39Å; F197-A214 HydrophobicContact CZ-CB 3.97Å; S212-A214 PolarHBondContact O-N 2.85Å; A214-Q216 WeakPolarHBondContact CB-O 3.44Å; A214-Q216 PolarHBondContact O-N 3.16Å
215A96.1Very high94.5Very high22 Ų2268.8 Ų68.818%0.18235%0.349CS..SBendtrans-61.7-38.5167.700000109.9V196 I198 K237 F238V196-A215 WeakPolarHBondContact O-CA 3.31Å; V196-A215 WeakPolarHBondContact O-CB 3.47Å; V196-A215 PolarHBondContact O-N 3.21Å; I198-A215 HydrophobicContact CG1-CB 4.19Å; A215-K237 WeakPolarHBondContact O-CD 3.38Å; A215-K237 WeakPolarHBondContact O-CE 3.34Å; A215-K237 PolarHBondContact O-NZ 2.79Å; A215-F238 HydrophobicContact CB-CE1 4.01Å; A215-F238 HydrophobicContact CB-CZ 3.91Å
216Q97.5Very high94.1Very high32 Ų3269.8 Ų69.815%0.1535%0.35CS..EExtended strand (participates in β ladder)trans-148.2142.5170.8-177168.9-18.300110.3V196 A214 L218 P232 F238V196-Q216 HydrophobicContact CB-CB 4.44Å; V196-Q216 PolarHBondContact N-O 3.3Å; V196-Q216 PolarHBondContact O-N 3.4Å; A214-Q216 WeakPolarHBondContact CB-O 3.44Å; A214-Q216 PolarHBondContact O-N 3.16Å; Q216-L218 HydrophobicContact CG-CD2 4.24Å; Q216-L218 HydrophobicContact CG-CG 4.24Å; Q216-P232 PolarHBondContact NE2-O 3.42Å; Q216-P232 VanDerWaalsContact NE2-O 3.16Å; Q216-F238 HydrophobicContact CB-CE2 4.11Å; Q216-F238 HydrophobicContact CB-CZ 3.82Å; Q216-F238 VanDerWaalsContact OE1-CE2 3.31Å
217T97.8Very high93.2Very high86 Ų8673.1 Ų73.153%0.52837%0.371SS..EExtended strand (participates in β ladder)trans-111.2135.3167.3-57.90000107.6L194 K195L194-T217 CarbonylContact O-C 3.55Å; L194-T217 WeakPolarHBondContact O-CA 3.47Å; K195-T217 HydrophobicContact CG-CG2 4.28Å
218L96.7Very high92.3Very high16 Ų1673.4 Ų73.48%0.08437%0.372CS..EExtended strand (participates in β ladder)trans-120138.7-177.1-68.7167.6000108.6M180 V193 L194 V196 Q216 L220 I231 L233M180-L218 HydrophobicContact CE-CD1 3.5Å; M180-L218 VanDerWaalsContact CE-CD1 3.5Å; M180-L218 HydrophobicContact SD-CD1 4.26Å; V193-L218 WeakPolarHBondContact CA-O 3.45Å; L194-L218 HydrophobicContact CB-CB 4.18Å; L194-L218 PolarHBondContact N-O 3.36Å; L194-L218 PolarHBondContact O-N 2.82Å; V196-L218 HydrophobicContact CG2-CD1 3.94Å; Q216-L218 HydrophobicContact CG-CD2 4.24Å; Q216-L218 HydrophobicContact CG-CG 4.24Å; L218-L220 HydrophobicContact CB-CD2 4.05Å; L218-I231 HydrophobicContact CD1-CG2 3.9Å; L218-I231 HydrophobicContact CD2-CG2 4.1Å; L218-L233 HydrophobicContact CD1-CD2 4.06Å
219E96.8Very high91.7Very high155 Ų15572 Ų7272%0.72437%0.367SS*.EExtended strand (participates in β ladder)trans-119.3103.8167.6-173170.5-174.900106.3K192K192-E219 CarbonylContact O-C 3.52Å; K192-E219 WeakPolarHBondContact O-CA 3.42Å
220L96.6Very high91.5Very high7 Ų774 Ų744%0.03738%0.377CS..  trans-86151.6-175-54.7-172.7000110.7M180 L182 K192 L194 L218 D224 Y225 I231 Q252M180-L220 HydrophobicContact CE-CD1 4.49Å; L182-L220 HydrophobicContact CD1-CD1 3.82Å; K192-L220 PolarHBondContact O-N 2.87Å; L194-L220 HydrophobicContact CD1-CD1 3.39Å; L194-L220 HydrophobicContact CD1-CG 4.1Å; L218-L220 HydrophobicContact CB-CD2 4.05Å; L220-D224 HydrophobicContact CB-CB 4.48Å; L220-Y225 HydrophobicContact CB-CE2 4.19Å; L220-Y225 HydrophobicContact CD1-CE2 4.3Å; L220-Y225 WeakPolarHBondContact CD1-OH 3.24Å; L220-I231 HydrophobicContact CD1-CD1 3.69Å; L220-I231 HydrophobicContact CD2-CD1 3.87Å; L220-I231 HydrophobicContact CD2-CG1 4.07Å; L220-I231 HydrophobicContact CD2-CG2 3.64Å; L220-I231 HydrophobicContact CG-CD1 4.44Å; L220-Q252 PolarHBondContact O-NE2 3.08Å
221S94.1Very high91.5Very high53 Ų5369.9 Ų69.937%0.37136%0.358SS..  trans-118.8168.6175.165.70000110.2E223 D224 Y225S221-E223 PolarHBondContact O-N 3.29Å; S221-E223 VanDerWaalsContact O-N 3.13Å; S221-D224 PolarHBondContact N-OD2 3.36Å; S221-D224 WeakPolarHBondContact O-CB 3.32Å; S221-D224 PolarHBondContact O-N 3.11Å; S221-D224 PolarHBondContact OG-OD2 3.42Å; S221-Y225 WeakPolarHBondContact O-CD2 3.42Å
222E90Very high91.5Very high119 Ų11964.3 Ų64.356%0.55635%0.348SS*.G310 helixtrans-58-26.5175.5-65.7178.9-165.400113.1D224 Y225E222-D224 PolarHBondContact O-N 3.48Å; E222-Y225 PolarHBondContact O-N 3.14Å
223E89.5Confident91.6Very high118 Ų11862.8 Ų62.855%0.55134%0.337SS*.G310 helixtrans-65.4-29.2177.6-65.2-71.912900112.5S221 Y225 K226S221-E223 PolarHBondContact O-N 3.29Å; S221-E223 VanDerWaalsContact O-N 3.13Å; E223-Y225 PolarHBondContact O-N 2.63Å; E223-K226 PolarHBondContact O-N 2.71Å; E223-K226 VanDerWaalsContact OE1-CE 3.31Å; E223-K226 WeakPolarHBondContact OE1-CE 3.11Å; E223-K226 IonicContact OE1-NZ 2.68Å; E223-K226 PolarHBondContact OE1-NZ 3.02Å; E223-K226 WeakPolarHBondContact OE2-CE 3.31Å; E223-K226 IonicContact OE2-NZ 3.56Å; E223-K226 PolarHBondContact OE2-NZ 3.42Å
224D92.8Very high91.4Very high35 Ų3562.3 Ų62.319%0.18732%0.323CS..G310 helixtrans-71.9-16179.9-64-68.5000112.8L220 S221 E222 I231L220-D224 HydrophobicContact CB-CB 4.48Å; S221-D224 PolarHBondContact N-OD2 3.36Å; S221-D224 WeakPolarHBondContact O-CB 3.32Å; S221-D224 PolarHBondContact O-N 3.11Å; S221-D224 PolarHBondContact OG-OD2 3.42Å; E222-D224 PolarHBondContact O-N 3.48Å; D224-I231 HydrophobicContact CB-CD1 4.28Å; D224-I231 HydrophobicContact CB-CG1 3.88Å
225Y90.8Very high90.8Very high13 Ų1364.7 Ų64.75%0.05133%0.328CS..G310 helixtrans-972.1-178.2-69.7-79.1000114.1L182 C184 L187 A190 P191 L220 S221 E222 E223L182-Y225 HydrophobicContact CB-CD1 4.39Å; L182-Y225 HydrophobicContact CB-CE1 3.84Å; C184-Y225 HydrophobicContact CB-CD1 4.04Å; C184-Y225 HydrophobicContact CB-CE1 4.26Å; L187-Y225 HydrophobicContact CD2-CG 4.13Å; A190-Y225 HydrophobicContact CB-CD1 4.09Å; A190-Y225 HydrophobicContact CB-CD2 4.18Å; A190-Y225 HydrophobicContact CB-CE1 3.75Å; A190-Y225 HydrophobicContact CB-CE2 3.86Å; A190-Y225 HydrophobicContact CB-CG 4.3Å; P191-Y225 WeakPolarHBondContact CA-OH 3.4Å; P191-Y225 VanDerWaalsContact CB-OH 3.3Å; P191-Y225 WeakPolarHBondContact CB-OH 3.21Å; P191-Y225 VanDerWaalsContact CD-OH 3.25Å; P191-Y225 WeakPolarHBondContact CD-OH 3.34Å; P191-Y225 WeakPolarHBondContact O-CE2 3.28Å; P191-Y225 PolarHBondContact O-OH 2.93Å; L220-Y225 HydrophobicContact CB-CE2 4.19Å; L220-Y225 HydrophobicContact CD1-CE2 4.3Å; L220-Y225 WeakPolarHBondContact CD1-OH 3.24Å; S221-Y225 WeakPolarHBondContact O-CD2 3.42Å; E222-Y225 PolarHBondContact O-N 3.14Å; E223-Y225 PolarHBondContact O-N 2.63Å
226K86Confident90.2Very high94 Ų9469.1 Ų69.141%0.40935%0.352SS..SBendtrans-63.5157.8172.9-68.8-179177.2175.10110.6E223 D228 G229E223-K226 PolarHBondContact O-N 2.71Å; E223-K226 VanDerWaalsContact OE1-CE 3.31Å; E223-K226 WeakPolarHBondContact OE1-CE 3.11Å; E223-K226 IonicContact OE1-NZ 2.68Å; E223-K226 PolarHBondContact OE1-NZ 3.02Å; E223-K226 WeakPolarHBondContact OE2-CE 3.31Å; E223-K226 IonicContact OE2-NZ 3.56Å; E223-K226 PolarHBondContact OE2-NZ 3.42Å; K226-D228 PolarHBondContact O-N 3.47Å; K226-D228 VanDerWaalsContact O-N 3.13Å; K226-G229 WeakPolarHBondContact O-CA 3.43Å; K226-G229 PolarHBondContact O-N 3.32Å
227D76.1Confident89.8Confident126 Ų12672.3 Ų72.367%0.67437%0.366SS*.THydrogen-bonded Turntrans-57.9-31-175.6-80.4-28.8000113.7K181 Q183K181-D227 WeakPolarHBondContact CE-O 3.21Å; K181-D227 PolarHBondContact NZ-O 3.43Å; Q183-D227 PolarHBondContact NE2-OD1 3.27Å
228D76.2Confident89.7Confident107 Ų10768.2 Ų68.257%0.57234%0.341SS*.THydrogen-bonded Turntrans-95.72.9176.163.5-27.3000113.6K226 L230K226-D228 PolarHBondContact O-N 3.47Å; K226-D228 VanDerWaalsContact O-N 3.13Å; D228-L230 PolarHBondContact O-N 2.82Å
229G82.6Confident89.5Confident10 Ų1070.5 Ų70.510%0.10335%0.351CS..  trans-63.3112.4-177.800000112.3K226K226-G229 WeakPolarHBondContact O-CA 3.43Å; K226-G229 PolarHBondContact O-N 3.32Å
230L90.3Very high89.4Confident41 Ų4167.4 Ų67.422%0.21534%0.339CS..  trans-111.8116.2169.1-71.5-175.9000109.8D118 P120 K181 D228 P232 I266D118-L230 WeakPolarHBondContact O-CD1 3.38Å; P120-L230 HydrophobicContact CG-CD1 4.39Å; K181-L230 HydrophobicContact CB-CD2 4.06Å; K181-L230 HydrophobicContact CD-CD2 4.28Å; K181-L230 HydrophobicContact CG-CD2 4.48Å; D228-L230 PolarHBondContact O-N 2.82Å; L230-P232 VanDerWaalsContact O-CD 3.29Å; L230-P232 WeakPolarHBondContact O-CD 3.34Å; L230-I266 HydrophobicContact CD2-CG1 3.87Å
231I95.1Very high89.4Confident2 Ų267.1 Ų67.11%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-81.7113.2179.9-59.6160.4000108.6S179 M180 L182 L218 L220 D224 L233S179-I231 CarbonylContact C-O 3.6Å; S179-I231 VanDerWaalsContact CA-O 3.25Å; S179-I231 WeakPolarHBondContact CA-O 3.49Å; S179-I231 WeakPolarHBondContact CB-O 3.38Å; M180-I231 HydrophobicContact CE-CB 4.18Å; M180-I231 HydrophobicContact CE-CD1 3.68Å; M180-I231 HydrophobicContact CE-CG2 3.89Å; M180-I231 HydrophobicContact CG-CB 3.86Å; M180-I231 HydrophobicContact CG-CD1 4.27Å; M180-I231 HydrophobicContact CG-CG2 4.29Å; M180-I231 PolarHBondContact N-O 2.86Å; M180-I231 PolarHBondContact O-N 2.92Å; L182-I231 HydrophobicContact CB-CD1 4.03Å; L182-I231 HydrophobicContact CD1-CD1 3.93Å; L182-I231 HydrophobicContact CG-CD1 4.12Å; L218-I231 HydrophobicContact CD1-CG2 3.9Å; L218-I231 HydrophobicContact CD2-CG2 4.1Å; L220-I231 HydrophobicContact CD1-CD1 3.69Å; L220-I231 HydrophobicContact CD2-CD1 3.87Å; L220-I231 HydrophobicContact CD2-CG1 4.07Å; L220-I231 HydrophobicContact CD2-CG2 3.64Å; L220-I231 HydrophobicContact CG-CD1 4.44Å; D224-I231 HydrophobicContact CB-CD1 4.28Å; D224-I231 HydrophobicContact CB-CG1 3.88Å; I231-L233 PolarHBondContact O-N 3.04Å
232P92.5Very high89.5Confident86 Ų8670 Ų7056%0.55835%0.345SS*.EExtended strand (participates in β ladder)trans-72129.5-172.828.4-34000111.7Q216 L230Q216-P232 PolarHBondContact NE2-O 3.42Å; Q216-P232 VanDerWaalsContact NE2-O 3.16Å; L230-P232 VanDerWaalsContact O-CD 3.29Å; L230-P232 WeakPolarHBondContact O-CD 3.34Å
233L94.6Very high89.8Confident13 Ų1365.5 Ų65.57%0.06833%0.327CS..  trans-96.6152169.4-60.3175.3000109.6L177 F178 M180 V196 L218 I231 Y235 F238 F265L177-L233 HydrophobicContact CB-CD1 3.8Å; L177-L233 HydrophobicContact CD1-CD1 4.32Å; F178-L233 WeakPolarHBondContact O-CB 3.48Å; F178-L233 PolarHBondContact O-N 2.89Å; M180-L233 HydrophobicContact CB-CD1 4.41Å; M180-L233 HydrophobicContact SD-CD2 4.41Å; V196-L233 HydrophobicContact CG2-CD2 4.47Å; L218-L233 HydrophobicContact CD1-CD2 4.06Å; I231-L233 PolarHBondContact O-N 3.04Å; L233-Y235 PolarHBondContact O-N 3.15Å; L233-F238 HydrophobicContact CB-CD2 4.06Å; L233-F238 HydrophobicContact CB-CE2 4.14Å; L233-F265 HydrophobicContact CD1-CD1 4Å; L233-F265 HydrophobicContact CD1-CE1 4.02Å
234R90.4Very high90.2Very high152 Ų15259.9 Ų59.957%0.57430%0.301SS*.  trans-75.677.8177.1-176.7178.8-83.9-167.92.4108.6V236 K237 F238R234-V236 HydrophobicContact CG-CG2 3.6Å; R234-V236 PolarHBondContact O-N 3.39Å; R234-K237 HydrophobicContact CG-CD 4.46Å; R234-K237 HydrophobicContact CG-CG 4.17Å; R234-K237 WeakPolarHBondContact O-CB 3.45Å; R234-K237 PolarHBondContact O-N 2.83Å; R234-F238 HydrophobicContact CB-CE2 4.37Å; R234-F238 WeakPolarHBondContact O-CD2 3.48Å
235Y84.6Confident90.5Very high72 Ų7258.4 Ų58.428%0.28229%0.293SS..G310 helixtrans-37.3-43.5-174.6178.3-107.1000114.2Y123 K176 L177 F178 L233 K237 F238 Q239Y123-Y235 HydrophobicContact CE1-CE2 4.45Å; K176-Y235 HydrophobicContact CB-CE2 3.88Å; K176-Y235 HydrophobicContact CD-CE2 4.31Å; K176-Y235 WeakPolarHBondContact CD-OH 3.27Å; L177-Y235 WeakPolarHBondContact O-CD2 3.32Å; F178-Y235 HydrophobicContact CB-CD2 4.35Å; F178-Y235 HydrophobicContact CD2-CD2 4.41Å; L233-Y235 PolarHBondContact O-N 3.15Å; Y235-K237 PolarHBondContact O-N 2.9Å; Y235-K237 VanDerWaalsContact O-N 3.08Å; Y235-F238 CarbonylContact O-C 3.59Å; Y235-F238 PolarHBondContact O-N 2.83Å; Y235-Q239 VanDerWaalsContact CD2-NE2 3.32Å; Y235-Q239 VanDerWaalsContact CG-NE2 3.34Å; Y235-Q239 PolarHBondContact O-NE2 3.12Å; Y235-Q239 PolarHBondContact OH-OE1 3.01Å
236V82.8Confident90.8Very high115 Ų11558 Ų5870%0.69729%0.291SS*.G310 helixtrans-56.3-25.5177.9-62.60000115.1R234R234-V236 HydrophobicContact CG-CG2 3.6Å; R234-V236 PolarHBondContact O-N 3.39Å
237K90.3Very high91.4Very high99 Ų9953.5 Ų53.543%0.4327%0.272SS..G310 helixtrans-87.4-22.3174.9-67.4-169.4176.1-171.20113.1I198 A215 R234 Y235I198-K237 WeakPolarHBondContact CD1-O 3.25Å; A215-K237 WeakPolarHBondContact O-CD 3.38Å; A215-K237 WeakPolarHBondContact O-CE 3.34Å; A215-K237 PolarHBondContact O-NZ 2.79Å; R234-K237 HydrophobicContact CG-CD 4.46Å; R234-K237 HydrophobicContact CG-CG 4.17Å; R234-K237 WeakPolarHBondContact O-CB 3.45Å; R234-K237 PolarHBondContact O-N 2.83Å; Y235-K237 PolarHBondContact O-N 2.9Å; Y235-K237 VanDerWaalsContact O-N 3.08Å
238F95.7Very high92.4Very high0 Ų047.5 Ų47.50%024%0.24CC..  trans-111.646.7-172.3-56.6-86.4000111.3K176 L177 V196 I198 A215 Q216 L233 R234 Y235 V241K176-F238 CarbonylContact C-O 3.51Å; K176-F238 WeakPolarHBondContact CA-O 3.26Å; L177-F238 HydrophobicContact CB-CB 3.79Å; L177-F238 HydrophobicContact CB-CG 4.3Å; L177-F238 HydrophobicContact CD1-CD1 4.11Å; L177-F238 HydrophobicContact CG-CB 4.28Å; L177-F238 PolarHBondContact N-O 2.97Å; V196-F238 HydrophobicContact CB-CZ 4.43Å; V196-F238 HydrophobicContact CG1-CE1 3.73Å; V196-F238 HydrophobicContact CG1-CZ 4.03Å; I198-F238 HydrophobicContact CD1-CD1 4.1Å; I198-F238 HydrophobicContact CD1-CE1 4.43Å; I198-F238 HydrophobicContact CG2-CD1 3.64Å; I198-F238 HydrophobicContact CG2-CE1 3.66Å; A215-F238 HydrophobicContact CB-CE1 4.01Å; A215-F238 HydrophobicContact CB-CZ 3.91Å; Q216-F238 HydrophobicContact CB-CE2 4.11Å; Q216-F238 HydrophobicContact CB-CZ 3.82Å; Q216-F238 VanDerWaalsContact OE1-CE2 3.31Å; L233-F238 HydrophobicContact CB-CD2 4.06Å; L233-F238 HydrophobicContact CB-CE2 4.14Å; R234-F238 HydrophobicContact CB-CE2 4.37Å; R234-F238 WeakPolarHBondContact O-CD2 3.48Å; Y235-F238 CarbonylContact O-C 3.59Å; Y235-F238 PolarHBondContact O-N 2.83Å; F238-V241 HydrophobicContact CB-CG2 3.95Å; F238-V241 HydrophobicContact CD1-CG2 4.19Å
239Q91.4Very high93.4Very high64 Ų6446.7 Ų46.730%0.29923%0.231SC..SBendtrans-87.8-12.9-178.4-70.1-57.6-76.900114.7K176 Y235 V270K176-Q239 WeakPolarHBondContact CG-O 3.13Å; Y235-Q239 VanDerWaalsContact CD2-NE2 3.32Å; Y235-Q239 VanDerWaalsContact CG-NE2 3.34Å; Y235-Q239 PolarHBondContact O-NE2 3.12Å; Y235-Q239 PolarHBondContact OH-OE1 3.01Å; Q239-V270 WeakPolarHBondContact O-CG2 3.21Å
240N94.2Very high94.1Very high90 Ų9047.2 Ų47.248%0.48123%0.234SC..SBendtrans-155.279.9-176.5-17324.2000109.2P174 N199P174-N240 WeakPolarHBondContact CB-OD1 3.33Å; N199-N240 PolarHBondContact ND2-O 2.79Å
241V97.5Very high94.5Very high0 Ų045.3 Ų45.30%022%0.224CC..EExtended strand (participates in β ladder)trans-109.3119-174.4-174.10000109F171 P174 V175 L177 I198 F238 S243 V244F171-V241 HydrophobicContact CD2-CG1 4.4Å; F171-V241 HydrophobicContact CE2-CG1 4.18Å; P174-V241 WeakPolarHBondContact CA-O 3.34Å; V175-V241 HydrophobicContact CG2-CB 4.2Å; V175-V241 WeakPolarHBondContact CG2-O 3.42Å; V175-V241 PolarHBondContact N-O 2.05Å; V175-V241 PolarHBondContact O-N 3.32Å; L177-V241 HydrophobicContact CD1-CB 4.36Å; L177-V241 HydrophobicContact CD1-CG1 4.06Å; L177-V241 HydrophobicContact CD1-CG2 4.12Å; L177-V241 HydrophobicContact CG-CB 4.24Å; L177-V241 HydrophobicContact CG-CG1 4.44Å; L177-V241 HydrophobicContact CG-CG2 3.98Å; I198-V241 HydrophobicContact CB-CG1 4.2Å; I198-V241 HydrophobicContact CD1-CG2 4.23Å; I198-V241 HydrophobicContact CG2-CG1 3.75Å; I198-V241 HydrophobicContact CG2-CG2 4.03Å; F238-V241 HydrophobicContact CB-CG2 3.95Å; F238-V241 HydrophobicContact CD1-CG2 4.19Å; V241-S243 VanDerWaalsContact CG1-O 3.27Å; V241-S243 WeakPolarHBondContact CG1-O 3.39Å; V241-V244 HydrophobicContact CG1-CB 4.22Å
242Q95.8Very high94.5Very high114 Ų11446.7 Ų46.753%0.53323%0.23SC..EExtended strand (participates in β ladder)trans-99.1-32171.2-69.7-177.2-13.700111.4F171 P174 N199F171-Q242 PolarHBondContact N-O 3.19Å; P174-Q242 HydrophobicContact CB-CG 4.21Å; P174-Q242 HydrophobicContact CG-CG 4.02Å; N199-Q242 PolarHBondContact OD1-N 3.36Å
243S96.9Very high94.6Very high24 Ų2444.1 Ų44.117%0.16822%0.22CC..EExtended strand (participates in β ladder)trans-142147.1171.659.80000110.4I169 I198 N199 V241I169-S243 CarbonylContact O-C 3.58Å; I169-S243 VanDerWaalsContact O-CA 3.3Å; I169-S243 WeakPolarHBondContact O-CA 3.47Å; I198-S243 CarbonylContact C-O 3.02Å; I198-S243 VanDerWaalsContact CA-O 3.27Å; I198-S243 WeakPolarHBondContact CA-O 3.37Å; N199-S243 PolarHBondContact N-O 3.1Å; N199-S243 PolarHBondContact OD1-N 3.3Å; V241-S243 VanDerWaalsContact CG1-O 3.27Å; V241-S243 WeakPolarHBondContact CG1-O 3.39Å
244V97.8Very high94.5Very high1 Ų150 Ų501%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-126.9134.1174.260.60000108.7T168 I169 F171 L177 V196 F197 I198 V241 L246 F265T168-V244 WeakPolarHBondContact CA-O 3.43Å; I169-V244 HydrophobicContact CB-CG1 3.86Å; I169-V244 HydrophobicContact CG2-CG1 4.37Å; I169-V244 PolarHBondContact N-O 2.97Å; I169-V244 PolarHBondContact O-N 3.44Å; F171-V244 HydrophobicContact CE2-CG1 3.83Å; F171-V244 HydrophobicContact CZ-CG1 4.2Å; L177-V244 HydrophobicContact CD1-CB 4.32Å; L177-V244 HydrophobicContact CD1-CG2 4.25Å; V196-V244 HydrophobicContact CG1-CG2 3.71Å; F197-V244 CarbonylContact O-C 3.57Å; F197-V244 WeakPolarHBondContact O-CA 3.32Å; F197-V244 WeakPolarHBondContact O-CG2 3.46Å; I198-V244 HydrophobicContact CG2-CB 4.29Å; I198-V244 HydrophobicContact CG2-CG2 4.17Å; V241-V244 HydrophobicContact CG1-CB 4.22Å; V244-L246 HydrophobicContact CG2-CD2 4.36Å; V244-F265 HydrophobicContact CB-CZ 4.33Å; V244-F265 HydrophobicContact CG1-CD2 4.18Å; V244-F265 HydrophobicContact CG1-CE1 4.45Å; V244-F265 HydrophobicContact CG1-CE2 3.43Å; V244-F265 VanDerWaalsContact CG1-CE2 3.43Å; V244-F265 HydrophobicContact CG1-CZ 3.59Å; V244-F265 HydrophobicContact CG2-CE1 4.26Å; V244-F265 HydrophobicContact CG2-CE2 4.5Å; V244-F265 HydrophobicContact CG2-CZ 3.79Å
245T97.9Very high94.8Very high4 Ų447 Ų473%0.02524%0.243CC..EExtended strand (participates in β ladder)trans-118.4122.3175.6-59.10000108.5L166 I167 T168 F197 L200L166-T245 HydrophobicContact CD2-CG2 3.55Å; L166-T245 HydrophobicContact CG-CG2 4.01Å; I167-T245 CarbonylContact O-C 3.59Å; I167-T245 VanDerWaalsContact O-CA 3.3Å; I167-T245 WeakPolarHBondContact O-CA 2.99Å; T168-T245 WeakPolarHBondContact OG1-CG2 3.08Å; T168-T245 PolarHBondContact OG1-OG1 3.34Å; F197-T245 PolarHBondContact N-O 3.08Å; F197-T245 PolarHBondContact O-N 2.79Å; L200-T245 HydrophobicContact CD1-CG2 4.48Å
246L98Very high95.3Very high3 Ų351.3 Ų51.32%0.01627%0.266CS..EExtended strand (participates in β ladder)trans-100.4122.2174.5-58.9179.3000108.4L166 I167 M180 L194 K195 V196 V244 L263 F265L166-L246 WeakPolarHBondContact CA-O 3.36Å; I167-L246 HydrophobicContact CB-CB 4.35Å; I167-L246 PolarHBondContact N-O 3.21Å; I167-L246 PolarHBondContact O-N 3.39Å; M180-L246 HydrophobicContact SD-CD2 4.39Å; L194-L246 HydrophobicContact CD2-CB 4.27Å; K195-L246 WeakPolarHBondContact O-CA 3.47Å; V196-L246 HydrophobicContact CB-CD2 4.24Å; V196-L246 HydrophobicContact CG1-CD2 3.94Å; V196-L246 HydrophobicContact CG2-CD2 3.77Å; V244-L246 HydrophobicContact CG2-CD2 4.36Å; L246-L263 HydrophobicContact CD1-CD1 3.85Å; L246-L263 HydrophobicContact CD1-CD2 3.81Å; L246-F265 HydrophobicContact CD1-CZ 4.02Å; L246-F265 HydrophobicContact CD2-CZ 4.12Å; L246-F265 HydrophobicContact CG-CZ 4.24Å
247F98.4Very high96Very high0 Ų047 Ų470%024%0.24CC..EExtended strand (participates in β ladder)trans-105.1109.4168.5168.6-129.4000108.6Q164 L165 L194 K195 F197 F206 A209 E210 K249Q164-F247 HydrophobicContact CB-CE2 4.17Å; Q164-F247 HydrophobicContact CG-CE2 4.32Å; L165-F247 CarbonylContact O-C 3.53Å; L165-F247 WeakPolarHBondContact O-CA 3.45Å; L194-F247 WeakPolarHBondContact CA-O 3.47Å; K195-F247 HydrophobicContact CB-CB 4.27Å; K195-F247 HydrophobicContact CB-CD1 4.22Å; K195-F247 HydrophobicContact CD-CD1 4.11Å; K195-F247 HydrophobicContact CG-CD1 4.29Å; K195-F247 PolarHBondContact N-O 3.08Å; K195-F247 PolarHBondContact O-N 3.37Å; F197-F247 HydrophobicContact CE2-CB 4.16Å; F206-F247 HydrophobicContact CD1-CD2 4.23Å; F206-F247 AromaticContact CD1-CE2 3.79Å; F206-F247 HydrophobicContact CD1-CE2 3.79Å; F206-F247 HydrophobicContact CE1-CE2 4.36Å; A209-F247 HydrophobicContact CB-CB 3.95Å; A209-F247 HydrophobicContact CB-CD1 3.64Å; A209-F247 HydrophobicContact CB-CD2 4.12Å; A209-F247 HydrophobicContact CB-CE1 4.12Å; A209-F247 HydrophobicContact CB-CG 3.63Å; E210-F247 HydrophobicContact CG-CE1 4.05Å; E210-F247 HydrophobicContact CG-CZ 3.99Å; F247-K249 HydrophobicContact CE1-CB 3.95Å; F247-K249 HydrophobicContact CE1-CG 4.3Å; F247-K249 HydrophobicContact CZ-CB 4.08Å; F247-K249 HydrophobicContact CZ-CG 4.31Å
248V98.1Very high96.3Very high0 Ų042.3 Ų42.30%022%0.22CC..EExtended strand (participates in β ladder)trans-79118168.8-176.70000107.4Q164 L165 P191 L194 T258 I260Q164-V248 VanDerWaalsContact CA-O 3.29Å; Q164-V248 WeakPolarHBondContact CA-O 3.31Å; L165-V248 HydrophobicContact CB-CB 4.08Å; L165-V248 HydrophobicContact CB-CG2 4.01Å; L165-V248 PolarHBondContact N-O 3.08Å; L165-V248 PolarHBondContact O-N 2.85Å; P191-V248 HydrophobicContact CB-CG1 3.94Å; P191-V248 HydrophobicContact CB-CG2 4.33Å; P191-V248 HydrophobicContact CG-CG1 4.32Å; P191-V248 HydrophobicContact CG-CG2 4.23Å; L194-V248 HydrophobicContact CD2-CB 4.26Å; L194-V248 HydrophobicContact CD2-CG2 3.54Å; L194-V248 HydrophobicContact CG-CG2 4.43Å; V248-T258 HydrophobicContact CG1-CG2 4.07Å; V248-I260 HydrophobicContact CG2-CD1 4.46Å
249K97.2Very high96.4Very high90 Ų9044 Ų4439%0.39123%0.227SC..EExtended strand (participates in β ladder)trans-94.9-33.7-179.8-180174.1-179.3177.70112.8V193 F247V193-K249 HydrophobicContact CB-CB 4.2Å; V193-K249 HydrophobicContact CG1-CB 4.16Å; V193-K249 HydrophobicContact CG1-CD 4.33Å; V193-K249 PolarHBondContact O-N 3.11Å; F247-K249 HydrophobicContact CE1-CB 3.95Å; F247-K249 HydrophobicContact CE1-CG 4.3Å; F247-K249 HydrophobicContact CZ-CB 4.08Å; F247-K249 HydrophobicContact CZ-CG 4.31Å
250S97.3Very high96.6Very high22 Ų2241.2 Ų41.215%0.15421%0.214CC..EExtended strand (participates in β ladder)trans-155.8162.3-179.173.70000110.9K192 V193K192-S250 PolarHBondContact N-O 2.85Å; V193-S250 PolarHBondContact N-O 3.2Å
251N97.2Very high96.6Very high1 Ų138 Ų381%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-104.3176.8171.658.542.9000112.2E163 A190 K192 N254 E255 T257E163-N251 WeakPolarHBondContact CB-ND2 3.36Å; A190-N251 CarbonylContact O-C 3.54Å; A190-N251 WeakPolarHBondContact O-CA 3.35Å; A190-N251 WeakPolarHBondContact O-CB 3.48Å; K192-N251 VanDerWaalsContact CB-C 3.47Å; K192-N251 VanDerWaalsContact CB-O 3.31Å; K192-N251 WeakPolarHBondContact CB-O 3.47Å; N251-N254 WeakPolarHBondContact OD1-CA 3.44Å; N251-N254 PolarHBondContact OD1-N 2.95Å; N251-E255 PolarHBondContact ND2-O 3.3Å; N251-E255 PolarHBondContact OD1-N 3.1Å; N251-T257 PolarHBondContact ND2-O 3.1Å; N251-T257 VanDerWaalsContact ND2-O 3.07Å
252Q95.9Very high96.4Very high30 Ų3038.9 Ų38.914%0.1420%0.2CC..SBendtrans-69.9-41.8-175-65-65.6-21.800113L187 A188 A190 P191 K192 L220L187-Q252 VanDerWaalsContact O-CB 3.24Å; L187-Q252 WeakPolarHBondContact O-CB 3.48Å; L187-Q252 WeakPolarHBondContact O-CG 3.31Å; A188-Q252 PolarHBondContact O-N 3.23Å; A190-Q252 HydrophobicContact CB-CG 4.21Å; A190-Q252 WeakPolarHBondContact O-CG 3.18Å; A190-Q252 PolarHBondContact O-N 3.48Å; P191-Q252 PolarHBondContact O-NE2 3.08Å; K192-Q252 HydrophobicContact CB-CG 4.44Å; L220-Q252 PolarHBondContact O-NE2 3.08Å
253G94.1Very high96.3Very high33 Ų3333.5 Ų33.534%0.3418%0.175SC..SBendtrans-88-8.8-173.200000115.2A188A188-G253 WeakPolarHBondContact O-CA 3.32Å; A188-G253 PolarHBondContact O-N 3.17Å
254N93.9Very high96.2Very high135 Ų13532.6 Ų32.672%0.72217%0.169SC*.  trans57.840.2-163-39.2-78.2000111.7N251N251-N254 WeakPolarHBondContact OD1-CA 3.44Å; N251-N254 PolarHBondContact OD1-N 2.95Å
255E96.6Very high96Very high89 Ų8932.7 Ų32.742%0.41617%0.169SC..  trans-74.5160.1173.2-63.9-65151.800110.3A188 R189 N251 T257A188-E255 HydrophobicContact CB-CG 4Å; R189-E255 HydrophobicContact CG-CB 3.65Å; R189-E255 HydrophobicContact CG-CG 3.73Å; N251-E255 PolarHBondContact ND2-O 3.3Å; N251-E255 PolarHBondContact OD1-N 3.1Å; E255-T257 VanDerWaalsContact C-N 3.29Å; E255-T257 PolarHBondContact O-N 3.35Å
256E95.1Very high95.8Very high164 Ų16432.6 Ų32.677%0.76617%0.168SC*.SBendtrans-69-27.2-179-64.3-176.4165.400113D162 E163D162-E256 CarbonylContact C-O 3.42Å; D162-E256 VanDerWaalsContact CA-O 3.31Å; D162-E256 WeakPolarHBondContact CA-O 3.48Å; E163-E256 PolarHBondContact N-O 3.16Å
257T96.6Very high95.5Very high24 Ų2432.5 Ų32.515%0.14717%0.168CC..SBendtrans-126.7155.3-179.967.30000112.1E158 S159 R189 N251 E255E158-T257 PolarHBondContact OE1-OG1 3.42Å; S159-T257 WeakPolarHBondContact O-CG2 3.48Å; S159-T257 WeakPolarHBondContact OG-CA 3.08Å; S159-T257 WeakPolarHBondContact OG-CB 3.22Å; R189-T257 WeakPolarHBondContact CD-O 3.19Å; R189-T257 VanDerWaalsContact CG-O 3.28Å; R189-T257 WeakPolarHBondContact CG-O 3.39Å; N251-T257 PolarHBondContact ND2-O 3.1Å; N251-T257 VanDerWaalsContact ND2-O 3.07Å; E255-T257 VanDerWaalsContact C-N 3.29Å; E255-T257 PolarHBondContact O-N 3.35Å
258T97.4Very high95.1Very high0 Ų033.5 Ų33.50%017%0.174CC..  trans-106.2141.4175-69.70000109.9E158 S159 E163 L165 R189 P191 V248 I260E158-T258 WeakPolarHBondContact CA-O 3.35Å; S159-T258 PolarHBondContact N-O 2.85Å; S159-T258 PolarHBondContact OG-N 3.08Å; E163-T258 WeakPolarHBondContact O-CB 3.04Å; E163-T258 PolarHBondContact O-OG1 3.44Å; L165-T258 HydrophobicContact CD1-CG2 3.95Å; R189-T258 CarbonylContact O-C 3.58Å; R189-T258 VanDerWaalsContact O-CA 3.31Å; R189-T258 WeakPolarHBondContact O-CA 3.49Å; P191-T258 HydrophobicContact CG-CG2 3.83Å; V248-T258 HydrophobicContact CG1-CG2 4.07Å; T258-I260 HydrophobicContact CG2-CG1 4.43Å
259K96.4Very high94.7Very high37 Ų3733.6 Ų33.616%0.16118%0.175CC..EExtended strand (participates in β ladder)trans-120.3142174.3-69.4-168.8175.2-152.40112.4L157 E158 C184 R189L157-K259 CarbonylContact O-C 3.46Å; L157-K259 WeakPolarHBondContact O-CA 3.27Å; E158-K259 HydrophobicContact CB-CG 4.29Å; E158-K259 HydrophobicContact CG-CG 4.26Å; E158-K259 WeakPolarHBondContact OE1-CE 3.34Å; E158-K259 IonicContact OE1-NZ 2.75Å; E158-K259 PolarHBondContact OE1-NZ 3.18Å; E158-K259 WeakPolarHBondContact OE2-CE 3.37Å; E158-K259 IonicContact OE2-NZ 2.76Å; E158-K259 PolarHBondContact OE2-NZ 3.08Å; C184-K259 PolarHBondContact SG-O 3.49Å; R189-K259 HydrophobicContact CB-CB 4.12Å; R189-K259 HydrophobicContact CB-CG 4.12Å; R189-K259 PolarHBondContact O-N 3.02Å
260I96.2Very high94.1Very high4 Ų431.8 Ų31.82%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-136.7117172.3-54.2-179000108.3C149 C156 L157 L165 I167 L182 P191 V248 T258 L263C149-I260 HydrophobicContact CB-CB 4.36Å; C149-I260 HydrophobicContact CB-CG2 4.02Å; C156-I260 WeakPolarHBondContact CA-O 3.4Å; L157-I260 HydrophobicContact CB-CB 4.43Å; L157-I260 HydrophobicContact CD2-CD1 4.45Å; L157-I260 PolarHBondContact N-O 3.06Å; L157-I260 PolarHBondContact O-N 3.23Å; L165-I260 HydrophobicContact CD1-CD1 4.43Å; I167-I260 HydrophobicContact CD1-CD1 3.79Å; L182-I260 HydrophobicContact CD2-CD1 4.46Å; L182-I260 HydrophobicContact CD2-CG2 3.89Å; P191-I260 HydrophobicContact CG-CD1 3.92Å; P191-I260 HydrophobicContact CG-CG1 3.89Å; V248-I260 HydrophobicContact CG2-CD1 4.46Å; T258-I260 HydrophobicContact CG2-CG1 4.43Å; I260-L263 HydrophobicContact CG2-CB 4.21Å
261N93.7Very high92.8Very high23 Ų2338.6 Ų38.612%0.12320%0.2CC..SBendtrans-84.3-37.8176.1-73.7105.6000112.1S155 Q183 C184 S185S155-N261 PolarHBondContact O-ND2 2.91Å; Q183-N261 WeakPolarHBondContact O-CB 3.47Å; Q183-N261 PolarHBondContact O-N 3.33Å; C184-N261 WeakPolarHBondContact CA-OD1 3.3Å; S185-N261 WeakPolarHBondContact CB-OD1 3.2Å; S185-N261 PolarHBondContact N-OD1 3.33Å; S185-N261 PolarHBondContact OG-OD1 3.18Å
262Y93.3Very high90.8Very high18 Ų1840.1 Ų40.17%0.07121%0.213CC..EExtended strand (participates in β ladder)trans-146.7137.1178.8-174.8-119.6000111.1D125 C149 K152 L182 Q183 T264D125-Y262 PolarHBondContact OD2-OH 3.3Å; D125-Y262 VanDerWaalsContact OD2-OH 3.13Å; C149-Y262 CarbonylContact O-C 3.57Å; C149-Y262 WeakPolarHBondContact O-CA 3.49Å; K152-Y262 HydrophobicContact CB-CD2 3.98Å; K152-Y262 HydrophobicContact CB-CE2 4Å; K152-Y262 HydrophobicContact CB-CG 4.42Å; K152-Y262 HydrophobicContact CG-CD1 4.5Å; K152-Y262 HydrophobicContact CG-CD2 4.35Å; K152-Y262 HydrophobicContact CG-CG 4.29Å; L182-Y262 CarbonylContact C-O 3.58Å; L182-Y262 VanDerWaalsContact CA-O 3.3Å; L182-Y262 WeakPolarHBondContact CA-O 3.31Å; Q183-Y262 HydrophobicContact CG-CD1 4.26Å; Q183-Y262 PolarHBondContact N-O 3.33Å; Q183-Y262 PolarHBondContact O-N 3.41Å; Y262-T264 HydrophobicContact CD1-CG2 4.34Å; Y262-T264 HydrophobicContact CE1-CG2 3.41Å; Y262-T264 VanDerWaalsContact CE1-CG2 3.41Å
263L94.6Very high88.5Confident1 Ų140.9 Ų40.91%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-135.1123.2175166.760.9000109C149 I167 I169 K181 L182 L246 I260 F265C149-L263 PolarHBondContact O-N 2.86Å; I167-L263 HydrophobicContact CD1-CD2 4.4Å; I167-L263 HydrophobicContact CG2-CD2 4.12Å; I169-L263 HydrophobicContact CD1-CD2 3.69Å; I169-L263 HydrophobicContact CD1-CG 4.22Å; K181-L263 WeakPolarHBondContact O-CA 2.97Å; L182-L263 HydrophobicContact CD2-CB 3.91Å; L182-L263 HydrophobicContact CD2-CD1 3.54Å; L182-L263 HydrophobicContact CD2-CG 4.21Å; L182-L263 HydrophobicContact CG-CD1 4.34Å; L246-L263 HydrophobicContact CD1-CD1 3.85Å; L246-L263 HydrophobicContact CD1-CD2 3.81Å; I260-L263 HydrophobicContact CG2-CB 4.21Å; L263-F265 HydrophobicContact CD1-CE2 4.46Å
264T93.8Very high86.1Confident5 Ų543 Ų433%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-143.2161.7168.5-173.60000111.5D125 M180 K181 Y262 I266D125-T264 PolarHBondContact OD1-OG1 2.84Å; D125-T264 WeakPolarHBondContact OD2-CG2 3.11Å; D125-T264 PolarHBondContact OD2-OG1 2.86Å; M180-T264 WeakPolarHBondContact CA-O 3.36Å; K181-T264 HydrophobicContact CB-CG2 3.83Å; K181-T264 PolarHBondContact N-O 3.12Å; K181-T264 PolarHBondContact O-N 2.98Å; Y262-T264 HydrophobicContact CD1-CG2 4.34Å; Y262-T264 HydrophobicContact CE1-CG2 3.41Å; Y262-T264 VanDerWaalsContact CE1-CG2 3.41Å; T264-I266 HydrophobicContact CG2-CD1 4.02Å
265F95.5Very high83.8Confident4 Ų438.7 Ų38.72%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-109.7139.4171.5-72.1-81.1000110.9L126 I169 F171 L177 M180 L233 V244 L246 L263L126-F265 HydrophobicContact CB-CB 4.34Å; L126-F265 VanDerWaalsContact CB-O 3.28Å; L126-F265 WeakPolarHBondContact CB-O 3.45Å; L126-F265 HydrophobicContact CD1-CB 4.11Å; L126-F265 WeakPolarHBondContact CG-O 3.31Å; L126-F265 PolarHBondContact N-O 2.67Å; I169-F265 HydrophobicContact CD1-CD2 4.39Å; I169-F265 HydrophobicContact CD1-CE2 3.8Å; F171-F265 HydrophobicContact CZ-CD2 4.12Å; L177-F265 HydrophobicContact CD1-CD1 3.92Å; L177-F265 HydrophobicContact CD1-CE1 4.07Å; L177-F265 HydrophobicContact CD1-CG 4.48Å; L177-F265 HydrophobicContact CD2-CB 4.01Å; L177-F265 HydrophobicContact CD2-CD1 4.27Å; L177-F265 HydrophobicContact CD2-CG 4.21Å; M180-F265 HydrophobicContact CB-CD1 3.63Å; M180-F265 HydrophobicContact CB-CE1 3.71Å; M180-F265 HydrophobicContact CB-CG 4.48Å; M180-F265 HydrophobicContact SD-CE1 4.25Å; L233-F265 HydrophobicContact CD1-CD1 4Å; L233-F265 HydrophobicContact CD1-CE1 4.02Å; V244-F265 HydrophobicContact CB-CZ 4.33Å; V244-F265 HydrophobicContact CG1-CD2 4.18Å; V244-F265 HydrophobicContact CG1-CE1 4.45Å; V244-F265 HydrophobicContact CG1-CE2 3.43Å; V244-F265 VanDerWaalsContact CG1-CE2 3.43Å; V244-F265 HydrophobicContact CG1-CZ 3.59Å; V244-F265 HydrophobicContact CG2-CE1 4.26Å; V244-F265 HydrophobicContact CG2-CE2 4.5Å; V244-F265 HydrophobicContact CG2-CZ 3.79Å; L246-F265 HydrophobicContact CD1-CZ 4.02Å; L246-F265 HydrophobicContact CD2-CZ 4.12Å; L246-F265 HydrophobicContact CG-CZ 4.24Å; L263-F265 HydrophobicContact CD1-CE2 4.46Å
266I93.2Very high81.2Confident2 Ų239.8 Ų39.81%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-108.5131.1176.8-51.2-47.6000108.6I119 M124 D125 F178 S179 L230 T264I119-I266 HydrophobicContact CD1-CD1 3.67Å; I119-I266 HydrophobicContact CD1-CG1 4.44Å; I119-I266 HydrophobicContact CD1-CG2 4.23Å; I119-I266 HydrophobicContact CG1-CD1 4.28Å; I119-I266 HydrophobicContact CG1-CG2 4.37Å; I119-I266 HydrophobicContact CG2-CG2 3.69Å; M124-I266 WeakPolarHBondContact O-CA 3.45Å; D125-I266 HydrophobicContact CB-CD1 4.28Å; F178-I266 WeakPolarHBondContact CB-O 3.23Å; F178-I266 PolarHBondContact N-O 3.46Å; S179-I266 PolarHBondContact N-O 2.97Å; S179-I266 VanDerWaalsContact N-O 3.13Å; S179-I266 PolarHBondContact O-N 3.18Å; S179-I266 VanDerWaalsContact O-O 3.12Å; S179-I266 WeakPolarHBondContact OG-CB 3.46Å; L230-I266 HydrophobicContact CD2-CG1 3.87Å; T264-I266 HydrophobicContact CG2-CD1 4.02Å
267G92Very high78.6Confident0 Ų037.7 Ų37.70%020%0.202CC..EExtended strand (participates in β ladder)trans177.1-150-174.800000114Y123 M124 K176Y123-G267 WeakPolarHBondContact CA-O 3.39Å; M124-G267 PolarHBondContact N-O 3.12Å; M124-G267 PolarHBondContact O-N 3.33Å; K176-G267 WeakPolarHBondContact O-CA 3.47Å
268T88.3Confident76Confident22 Ų2245.2 Ų45.214%0.13523%0.233CC..EExtended strand (participates in β ladder)trans-145.6153.1176.152.60000110.4G122 Y123 V175 K176G122-T268 WeakPolarHBondContact O-CG2 3.24Å; Y123-T268 HydrophobicContact CD1-CG2 4.1Å; V175-T268 CarbonylContact C-O 3.57Å; V175-T268 WeakPolarHBondContact CA-O 3.48Å; K176-T268 PolarHBondContact N-O 3.5Å; K176-T268 PolarHBondContact O-N 2.96Å
269P89.6Confident73.2Confident2 Ų254.5 Ų54.51%0.01327%0.273CS..EExtended strand (participates in β ladder)trans-67.1148.3168.127.8-32.1000111.5V86 F129 Q271 A272V86-P269 HydrophobicContact CG1-CG 3.38Å; F129-P269 HydrophobicContact CE1-CB 4.45Å; F129-P269 HydrophobicContact CE1-CG 4.44Å; F129-P269 HydrophobicContact CZ-CB 4.37Å; F129-P269 HydrophobicContact CZ-CG 3.98Å; P269-Q271 VanDerWaalsContact C-N 3.26Å; P269-Q271 PolarHBondContact O-N 2.88Å; P269-A272 HydrophobicContact CG-CB 4.09Å; P269-A272 PolarHBondContact O-N 3.41Å
270V85Confident70.5Confident52 Ų5262.8 Ų62.832%0.31530%0.304SS..THydrogen-bonded Turntrans-61-40.9179.4174.20000110.9P174 K176 Q239P174-V270 HydrophobicContact CB-CB 4.23Å; P174-V270 HydrophobicContact CB-CG2 3.85Å; P174-V270 WeakPolarHBondContact O-CB 3.36Å; P174-V270 WeakPolarHBondContact O-CG2 3.49Å; P174-V270 PolarHBondContact O-N 2.63Å; K176-V270 HydrophobicContact CG-CG2 3.92Å; Q239-V270 WeakPolarHBondContact O-CG2 3.21Å
271Q71.3Confident67.7Low165 Ų16569.3 Ų69.377%0.77134%0.343SS*.THydrogen-bonded Turntrans-101.262172.3-60.5-177.228.100109.6P269 T273P269-Q271 VanDerWaalsContact C-N 3.26Å; P269-Q271 PolarHBondContact O-N 2.88Å; Q271-T273 PolarHBondContact O-N 3.21Å
272A55.5Low65Low32 Ų3274 Ų7426%0.26437%0.372SS..  trans-67.9122.4156.500000106.6V86 P269 N274V86-A272 HydrophobicContact CG1-CB 4.39Å; P269-A272 HydrophobicContact CG-CB 4.09Å; P269-A272 PolarHBondContact O-N 3.41Å; A272-N274 PolarHBondContact O-N 2.88Å
273T47.5Very low62.4Low47 Ų4776 Ų7629%0.28840%0.4SS..  trans-63.185.7162.6-50.40000106.8Q271 M275Q271-T273 PolarHBondContact O-N 3.21Å; T273-M275 HydrophobicContact CG2-CG 4.44Å; T273-M275 PolarHBondContact O-N 2.84Å; T273-M275 VanDerWaalsContact O-N 3.07Å
274N41.9Very low59.7Low77 Ų7785.8 Ų85.841%0.41244%0.442SS..  trans-80.592.5-172.7-163.47.3000107.8A272 N276 D277A272-N274 PolarHBondContact O-N 2.88Å; N274-N276 PolarHBondContact O-N 3.04Å; N274-D277 WeakPolarHBondContact CB-OD2 3.44Å; N274-D277 PolarHBondContact ND2-OD2 2.99Å; N274-D277 PolarHBondContact O-N 3.43Å; N274-D277 VanDerWaalsContact O-N 3.09Å
275M45.8Very low57.2Low45 Ų4595.7 Ų95.722%0.22249%0.485CS..G310 helixtrans-67.4-8.1-175.1-64.2178.489.400113F13 Q14 A70 T273F13-M275 HydrophobicContact CD1-CE 4.05Å; F13-M275 HydrophobicContact CE1-CE 3.91Å; F13-M275 HydrophobicContact CE1-SD 4.02Å; Q14-M275 PolarHBondContact NE2-SD 3.46Å; A70-M275 HydrophobicContact CB-CE 4.04Å; T273-M275 HydrophobicContact CG2-CG 4.44Å; T273-M275 PolarHBondContact O-N 2.84Å; T273-M275 VanDerWaalsContact O-N 3.07Å
276N43.5Very low54.9Low112 Ų11298.5 Ų98.560%0.59952%0.515SS*.G310 helixtrans-78-19.3171.9-73.8-30.1000114.3N274 F278N274-N276 PolarHBondContact O-N 3.04Å; N276-F278 PolarHBondContact O-N 2.95Å
277D40.1Very low52.1Low120 Ų120107.5 Ų107.564%0.64256%0.557SS**G310 helixtrans-77.4-5.7-176.5-72.8-31.4000113.1N274 K279N274-D277 WeakPolarHBondContact CB-OD2 3.44Å; N274-D277 PolarHBondContact ND2-OD2 2.99Å; N274-D277 PolarHBondContact O-N 3.43Å; N274-D277 VanDerWaalsContact O-N 3.09Å; D277-K279 PolarHBondContact O-N 3.46Å
278F42Very low49.5Very low182 Ų182112.9 Ų112.980%0.79859%0.594SS**  trans-95.888173.9-75.1-87.8000111N276 R280N276-F278 PolarHBondContact O-N 2.95Å; F278-R280 PolarHBondContact O-N 3.17Å; F278-R280 VanDerWaalsContact O-N 3.16Å
279K38Very low47.1Very low194 Ų194124.2 Ų124.284%0.84365%0.645SS**  trans-55.2122.5161.8-74.3-174.4179178.30108.4D277 V281D277-K279 PolarHBondContact O-N 3.46Å; K279-V281 PolarHBondContact O-N 2.81Å
280R40.5Very low45Very low211 Ų211130.3 Ų130.380%0.79668%0.677SS**  trans-46110.7167.5-85.6178.1163.1174.4-4.4108.6F278 V282F278-R280 PolarHBondContact O-N 3.17Å; F278-R280 VanDerWaalsContact O-N 3.16Å; R280-V282 PolarHBondContact O-N 3.5Å
281V35.6Very low42.8Very low141 Ų141134.4 Ų134.486%0.85570%0.696SS**  trans-70.295.7158.9-168.40000104.4K279 G283K279-V281 PolarHBondContact O-N 2.81Å; V281-G283 VanDerWaalsContact C-N 3.25Å; V281-G283 PolarHBondContact O-N 2.96Å
282V37.7Very low41.3Very low121 Ų121132.7 Ų132.773%0.73369%0.691SS**  trans-60.999.3168.2-178.40000104.9R280 K284R280-V282 PolarHBondContact O-N 3.5Å; V282-K284 PolarHBondContact O-N 2.66Å
283G38.7Very low40.4Very low62 Ų62138.6 Ų138.664%0.63972%0.716SS**  trans-52.9114.4173.100000107.6V281 K285V281-G283 VanDerWaalsContact C-N 3.25Å; V281-G283 PolarHBondContact O-N 2.96Å; G283-K285 PolarHBondContact O-N 2.58Å; G283-K285 VanDerWaalsContact O-N 3.08Å
284K37.4Very low40Very low206 Ų206144.4 Ų144.490%0.89674%0.743SS**  trans-59.4117.9170.5-88.2-175.1174.8179.80106.8V282 G286V282-K284 PolarHBondContact O-N 2.66Å; K284-G286 PolarHBondContact O-N 3.18Å
285K42.4Very low39.9Very low213 Ų213148.9 Ų148.993%0.92677%0.765SS**SBendtrans-65.9111175.3-157.3-179.8-172.3-1780107.7G283G283-K285 PolarHBondContact O-N 2.58Å; G283-K285 VanDerWaalsContact O-N 3.08Å
286G47.7Very low39.4Very low63 Ų63156.3 Ų156.365%0.64980%0.804SS**  trans97.6101164.200000115.1K284K284-G286 PolarHBondContact O-N 3.18Å
287E33Very low39.1Very low191 Ų191159.7 Ų159.789%0.89382%0.82SS**  trans-135.6102.1133.2-77.4-171.9162.500106.8
288S38.4Very low39Very low113 Ų113163 Ų16379%0.7984%0.835SS**  trans-75.3125.9162-44.40000107.1
289H37.2Very low38.8Very low259 Ų259161.3 Ų161.3100%1.19984%0.838SS**  trans-139.70151.6-91.6-61.3000108.9

Retrieved 289 of 289 residues in 726.2 ms (Link to these results)

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