Y1352_STAAM Loading...

Uncharacterized protein SAV1352

AlphaFold DB (Q2FYS7), UniProt , Accession Q99UC6, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene n/a, Length 98 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
1M90.1Very high96Very high67 Ų6747.8 Ų47.833%0.3326%0.262SS..  0127.70-163.7159.999.500109.7Y58 V69 L74 F77 E78 D80M1-Y58 HydrophobicContact CE-CD1 3.31Å; M1-Y58 HydrophobicContact CE-CD2 3.39Å; M1-Y58 HydrophobicContact CE-CE1 3.95Å; M1-Y58 HydrophobicContact CE-CE2 4.03Å; M1-Y58 HydrophobicContact CE-CG 2.97Å; M1-V69 HydrophobicContact CE-CB 4.19Å; M1-V69 HydrophobicContact CE-CG2 4.03Å; M1-L74 HydrophobicContact CE-CD2 3.76Å; M1-L74 HydrophobicContact SD-CD2 3.92Å; M1-F77 HydrophobicContact CG-CB 3.88Å; M1-F77 WeakPolarHBondContact CG-O 3.28Å; M1-F77 HydrophobicContact SD-CB 3.3Å; M1-F77 WeakPolarHBondContact SD-CB 3.28Å; M1-F77 HydrophobicContact SD-CG 4.38Å; M1-E78 VanDerWaalsContact CA-O 3.31Å; M1-E78 WeakPolarHBondContact CA-O 3.33Å; M1-E78 PolarHBondContact N-O 2.67Å; M1-D80 WeakPolarHBondContact CA-O 3.24Å
2Q93.6Very high96.1Very high90 Ų9046.9 Ų46.942%0.42125%0.252SS..EExtended strand (participates in β ladder)trans-141.8125.4165.4-178.2172.9-2300108.2D80 H81 I82Q2-D80 PolarHBondContact N-O 3.04Å; Q2-H81 HydrophobicContact CB-CB 4.29Å; Q2-H81 VanDerWaalsContact CD-CE1 3.48Å; Q2-H81 PolarHBondContact NE2-CE1 3.31Å; Q2-H81 PolarHBondContact NE2-NE2 3.29Å; Q2-H81 CarbonylContact O-C 3.55Å; Q2-H81 WeakPolarHBondContact O-CA 3.33Å; Q2-H81 PolarHBondContact O-CD2 3.33Å; Q2-I82 PolarHBondContact O-N 3.03Å
3I96.9Very high96.2Very high4 Ų443.3 Ų43.32%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-103129.9166.7-58.7179.9000105.5L5 F28 Y58 Y62 V69 F77 I82 V84I3-L5 HydrophobicContact CG2-CD1 3.57Å; I3-F28 HydrophobicContact CD1-CD2 4.3Å; I3-F28 HydrophobicContact CG2-CE2 4.41Å; I3-Y58 HydrophobicContact CB-CE1 4.37Å; I3-Y58 HydrophobicContact CD1-CE1 4.23Å; I3-Y58 HydrophobicContact CG1-CE1 4.34Å; I3-Y62 PolarHBondContact O-OH 2.8Å; I3-V69 HydrophobicContact CD1-CG2 3.61Å; I3-F77 HydrophobicContact CD1-CD1 4.21Å; I3-I82 CarbonylContact C-O 3.56Å; I3-I82 WeakPolarHBondContact CA-O 3.18Å; I3-V84 HydrophobicContact CG2-CG2 3.94Å
4E97.3Very high96.3Very high73 Ų7343.6 Ų43.634%0.34123%0.231SC..EExtended strand (participates in β ladder)trans-122.8112.2178.2-177177.4136.300107.6H81 I82 I83 V84E4-H81 WeakPolarHBondContact CB-NE2 3.3Å; E4-H81 IonicContact OE2-CE1 2.59Å; E4-H81 PolarHBondContact OE2-CE1 2.85Å; E4-H81 VanDerWaalsContact OE2-CE1 3.24Å; E4-H81 IonicContact OE2-NE2 2.97Å; E4-H81 PolarHBondContact OE2-NE2 3.45Å; E4-H81 VanDerWaalsContact OE2-NE2 3.16Å; E4-I82 PolarHBondContact N-O 3.06Å; E4-I83 CarbonylContact O-C 3.57Å; E4-I83 WeakPolarHBondContact O-CA 3.25Å; E4-V84 PolarHBondContact O-N 2.85Å
5L97.9Very high96.2Very high10 Ų1048.1 Ų48.15%0.05226%0.255CS..EExtended strand (participates in β ladder)trans-91.2131.1171.7-83.361.6000108.5I3 A9 V10 F13 F28 Y62 L65 V67 V84I3-L5 HydrophobicContact CG2-CD1 3.57Å; L5-A9 HydrophobicContact CB-CB 4.39Å; L5-A9 HydrophobicContact CG-CB 4.45Å; L5-V10 HydrophobicContact CB-CG2 3.7Å; L5-V10 HydrophobicContact CD2-CG2 4.12Å; L5-F13 HydrophobicContact CD2-CD2 3.82Å; L5-F13 HydrophobicContact CD2-CE2 3.99Å; L5-F13 HydrophobicContact CG-CE2 4.41Å; L5-F28 HydrophobicContact CD1-CE2 4.26Å; L5-Y62 HydrophobicContact CB-CD1 4.16Å; L5-Y62 HydrophobicContact CB-CE1 4.22Å; L5-Y62 HydrophobicContact CB-CG 4.49Å; L5-Y62 HydrophobicContact CD1-CE2 4.35Å; L5-Y62 HydrophobicContact CD2-CD2 4.49Å; L5-L65 HydrophobicContact CD2-CD2 3.83Å; L5-V67 HydrophobicContact CD2-CG2 3.94Å; L5-V84 HydrophobicContact CD1-CB 4Å; L5-V84 HydrophobicContact CD1-CG2 3.99Å; L5-V84 HydrophobicContact CG-CB 4.05Å; L5-V84 HydrophobicContact CG-CG1 4.43Å
6T97Very high96.2Very high34 Ų3451.6 Ų51.621%0.20927%0.27CS..  trans-69.1157.3166.866.10000110.6A8 A9 V10 I83 V84 N85T6-A8 PolarHBondContact O-N 3.1Å; T6-A8 VanDerWaalsContact O-N 3.14Å; T6-A9 WeakPolarHBondContact O-CA 3.35Å; T6-A9 WeakPolarHBondContact O-CB 3.2Å; T6-A9 PolarHBondContact O-N 3.03Å; T6-A9 PolarHBondContact OG1-N 3.05Å; T6-V10 WeakPolarHBondContact O-CG2 3.16Å; T6-V10 PolarHBondContact O-N 3.19Å; T6-I83 HydrophobicContact CG2-CG2 4.35Å; T6-V84 PolarHBondContact N-O 3.28Å; T6-N85 HydrophobicContact CG2-CB 4.04Å; T6-N85 PolarHBondContact OG1-OD1 3.01Å
7D96.5Very high96.2Very high128 Ų12851.4 Ų51.468%0.68427%0.269SS*.Hα-helixtrans-54.8-35176-60.5-10.6000112.2T11D7-T11 WeakPolarHBondContact O-CB 3.28Å; D7-T11 PolarHBondContact O-N 3.39Å; D7-T11 PolarHBondContact O-OG1 2.86Å
8A95.8Very high96.1Very high43 Ų4357.4 Ų57.436%0.35530%0.295SS..Hα-helixtrans-64.1-46.3174.700000111.4T6 T11 W12 V86T6-A8 PolarHBondContact O-N 3.1Å; T6-A8 VanDerWaalsContact O-N 3.14Å; A8-T11 PolarHBondContact O-N 3.13Å; A8-W12 WeakPolarHBondContact O-CB 3.29Å; A8-W12 PolarHBondContact O-N 3.14Å; A8-V86 HydrophobicContact CB-CB 4.49Å; A8-V86 HydrophobicContact CB-CG2 4.2Å
9A97.3Very high96.1Very high0 Ų055.1 Ų55.10%028%0.283CS..Hα-helixtrans-64.6-42176.800000112.2L5 T6 T11 W12 F13 V84 V86 I93L5-A9 HydrophobicContact CB-CB 4.39Å; L5-A9 HydrophobicContact CG-CB 4.45Å; T6-A9 WeakPolarHBondContact O-CA 3.35Å; T6-A9 WeakPolarHBondContact O-CB 3.2Å; T6-A9 PolarHBondContact O-N 3.03Å; T6-A9 PolarHBondContact OG1-N 3.05Å; A9-T11 VanDerWaalsContact C-N 3.29Å; A9-T11 PolarHBondContact O-N 3.33Å; A9-W12 PolarHBondContact O-N 3.42Å; A9-F13 HydrophobicContact CB-CE2 4.49Å; A9-F13 WeakPolarHBondContact O-CD2 3.26Å; A9-F13 PolarHBondContact O-N 2.96Å; A9-V84 HydrophobicContact CB-CG1 4.33Å; A9-V84 WeakPolarHBondContact CB-O 3.35Å; A9-V86 HydrophobicContact CB-CG2 4.23Å; A9-I93 HydrophobicContact CB-CD1 4.34Å
10V97.7Very high96.1Very high4 Ų456.1 Ų56.12%0.02429%0.293CS..Hα-helixtrans-57.4-46.6174.5176.90000110.3L5 T6 K14 Y62 D63 L65L5-V10 HydrophobicContact CB-CG2 3.7Å; L5-V10 HydrophobicContact CD2-CG2 4.12Å; T6-V10 WeakPolarHBondContact O-CG2 3.16Å; T6-V10 PolarHBondContact O-N 3.19Å; V10-K14 HydrophobicContact CG1-CD 4.2Å; V10-K14 VanDerWaalsContact O-CG 3.28Å; V10-K14 WeakPolarHBondContact O-CG 3.28Å; V10-K14 PolarHBondContact O-N 3.37Å; V10-K14 VanDerWaalsContact O-N 3.13Å; V10-Y62 HydrophobicContact CG2-CD1 4.43Å; V10-Y62 HydrophobicContact CG2-CG 4.27Å; V10-D63 HydrophobicContact CG1-CB 4.3Å; V10-L65 HydrophobicContact CG1-CB 4.32Å; V10-L65 HydrophobicContact CG1-CD2 4.31Å
11T96.2Very high96Very high73 Ų7357.6 Ų57.645%0.44830%0.299SS..Hα-helixtrans-63.7-43.8178.7-58.80000111.8D7 A8 A9 K14 N15D7-T11 WeakPolarHBondContact O-CB 3.28Å; D7-T11 PolarHBondContact O-N 3.39Å; D7-T11 PolarHBondContact O-OG1 2.86Å; A8-T11 PolarHBondContact O-N 3.13Å; A9-T11 VanDerWaalsContact C-N 3.29Å; A9-T11 PolarHBondContact O-N 3.33Å; T11-K14 PolarHBondContact O-N 2.95Å; T11-N15 VanDerWaalsContact O-CG 3.26Å; T11-N15 PolarHBondContact O-N 2.61Å; T11-N15 PolarHBondContact O-ND2 3.38Å
12W97.1Very high96.2Very high37 Ų3761.9 Ų61.914%0.1432%0.323CS..Hα-helixtrans-59.6-51.1178-17394.3000111.5A8 A9 K14 N15 E16 F46 V86 D91 I93A8-W12 WeakPolarHBondContact O-CB 3.29Å; A8-W12 PolarHBondContact O-N 3.14Å; A9-W12 PolarHBondContact O-N 3.42Å; W12-K14 VanDerWaalsContact C-N 3.32Å; W12-K14 PolarHBondContact O-N 3.24Å; W12-N15 PolarHBondContact O-N 3.09Å; W12-E16 HydrophobicContact CD2-CB 4.34Å; W12-E16 HydrophobicContact CD2-CG 3.83Å; W12-E16 HydrophobicContact CE3-CB 4.26Å; W12-E16 HydrophobicContact CE3-CG 4.26Å; W12-E16 HydrophobicContact CG-CG 4.28Å; W12-E16 HydrophobicContact CH2-CB 4.18Å; W12-E16 HydrophobicContact CH2-CG 4.2Å; W12-E16 HydrophobicContact CZ2-CB 4.27Å; W12-E16 HydrophobicContact CZ2-CG 3.77Å; W12-E16 HydrophobicContact CZ3-CB 4.18Å; W12-E16 HydrophobicContact CZ3-CG 4.43Å; W12-E16 WeakPolarHBondContact O-CB 3.22Å; W12-E16 PolarHBondContact O-N 3.01Å; W12-F46 HydrophobicContact CH2-CE2 4.43Å; W12-F46 AromaticContact CH2-CZ 3.88Å; W12-F46 HydrophobicContact CH2-CZ 3.88Å; W12-F46 HydrophobicContact CZ3-CE2 4.15Å; W12-F46 AromaticContact CZ3-CZ 3.78Å; W12-F46 HydrophobicContact CZ3-CZ 3.78Å; W12-V86 HydrophobicContact CB-CG2 3.56Å; W12-V86 HydrophobicContact CG-CG1 4.46Å; W12-V86 HydrophobicContact CG-CG2 3.92Å; W12-D91 VanDerWaalsContact CD1-OD1 3.25Å; W12-D91 WeakPolarHBondContact CZ2-O 3.37Å; W12-D91 PolarHBondContact NE1-O 3.44Å; W12-D91 VanDerWaalsContact NE1-O 3.15Å; W12-D91 PolarHBondContact NE1-OD1 2.71Å; W12-I93 HydrophobicContact CB-CD1 4.46Å; W12-I93 HydrophobicContact CD2-CD1 3.76Å; W12-I93 HydrophobicContact CD2-CG1 3.93Å; W12-I93 HydrophobicContact CE3-CD1 3.44Å; W12-I93 VanDerWaalsContact CE3-CD1 3.44Å; W12-I93 HydrophobicContact CE3-CG1 3.44Å; W12-I93 VanDerWaalsContact CE3-CG1 3.44Å; W12-I93 HydrophobicContact CG-CD1 4.21Å; W12-I93 HydrophobicContact CH2-CG1 3.88Å; W12-I93 HydrophobicContact CZ2-CG1 4.3Å; W12-I93 HydrophobicContact CZ3-CD1 4Å; W12-I93 HydrophobicContact CZ3-CG1 3.42Å; W12-I93 VanDerWaalsContact CZ3-CG1 3.42Å
13F97.5Very high96.3Very high0 Ų061 Ų610%032%0.322CS..Hα-helixtrans-60.6-40.6179.3-78.4-58.8000112.8L5 A9 L17 L26 F28 F46 L65 V84 I93L5-F13 HydrophobicContact CD2-CD2 3.82Å; L5-F13 HydrophobicContact CD2-CE2 3.99Å; L5-F13 HydrophobicContact CG-CE2 4.41Å; A9-F13 HydrophobicContact CB-CE2 4.49Å; A9-F13 WeakPolarHBondContact O-CD2 3.26Å; A9-F13 PolarHBondContact O-N 2.96Å; F13-L17 HydrophobicContact CD1-CD1 3.71Å; F13-L17 HydrophobicContact CE1-CD1 4.41Å; F13-L17 VanDerWaalsContact O-CB 3.22Å; F13-L17 WeakPolarHBondContact O-CB 3.39Å; F13-L17 PolarHBondContact O-N 3.48Å; F13-L26 HydrophobicContact CB-CD2 4.12Å; F13-L26 HydrophobicContact CD1-CD1 4.05Å; F13-L26 HydrophobicContact CD1-CD2 3.65Å; F13-L26 HydrophobicContact CD2-CD2 3.67Å; F13-L26 HydrophobicContact CE1-CD1 4.14Å; F13-L26 HydrophobicContact CE1-CD2 3.89Å; F13-L26 HydrophobicContact CE2-CD2 3.91Å; F13-L26 HydrophobicContact CG-CD2 3.55Å; F13-L26 HydrophobicContact CZ-CD2 4.01Å; F13-F28 AromaticContact CE2-CZ 3.97Å; F13-F28 HydrophobicContact CE2-CZ 3.97Å; F13-F28 HydrophobicContact CZ-CE1 4.18Å; F13-F28 AromaticContact CZ-CZ 3.72Å; F13-F28 HydrophobicContact CZ-CZ 3.72Å; F13-F46 HydrophobicContact CD1-CD2 4.46Å; F13-F46 HydrophobicContact CD1-CE2 4.42Å; F13-F46 AromaticContact CE1-CD1 3.75Å; F13-F46 HydrophobicContact CE1-CD1 3.75Å; F13-F46 AromaticContact CE1-CD2 3.77Å; F13-F46 HydrophobicContact CE1-CD2 3.77Å; F13-F46 AromaticContact CE1-CE1 3.8Å; F13-F46 HydrophobicContact CE1-CE1 3.8Å; F13-F46 AromaticContact CE1-CE2 3.81Å; F13-F46 HydrophobicContact CE1-CE2 3.81Å; F13-F46 AromaticContact CE1-CG 3.75Å; F13-F46 HydrophobicContact CE1-CG 3.75Å; F13-F46 AromaticContact CE1-CZ 3.83Å; F13-F46 HydrophobicContact CE1-CZ 3.83Å; F13-F46 HydrophobicContact CZ-CD1 4.04Å; F13-F46 HydrophobicContact CZ-CE1 4.2Å; F13-F46 HydrophobicContact CZ-CG 4.34Å; F13-L65 HydrophobicContact CB-CD1 4.44Å; F13-L65 HydrophobicContact CB-CD2 3.8Å; F13-L65 HydrophobicContact CD2-CD2 4.28Å; F13-L65 HydrophobicContact CG-CD2 4.39Å; F13-V84 HydrophobicContact CE2-CG1 3.88Å; F13-V84 HydrophobicContact CZ-CG1 4.21Å; F13-I93 HydrophobicContact CD2-CD1 4.32Å; F13-I93 HydrophobicContact CE1-CD1 4.19Å; F13-I93 HydrophobicContact CE1-CG1 3.93Å; F13-I93 HydrophobicContact CE2-CD1 3.77Å; F13-I93 HydrophobicContact CE2-CG1 4.31Å; F13-I93 HydrophobicContact CZ-CD1 3.69Å; F13-I93 HydrophobicContact CZ-CG1 3.7Å; F13-I93 HydrophobicContact CZ-CG2 4.13Å
14K96.7Very high96.3Very high47 Ų4764.7 Ų64.720%0.20434%0.337CS..Hα-helixtrans-62.7-43.9177.2-73.6175.8177.1174.50112.2V10 T11 W12 E18 L19 D63 L65V10-K14 HydrophobicContact CG1-CD 4.2Å; V10-K14 VanDerWaalsContact O-CG 3.28Å; V10-K14 WeakPolarHBondContact O-CG 3.28Å; V10-K14 PolarHBondContact O-N 3.37Å; V10-K14 VanDerWaalsContact O-N 3.13Å; T11-K14 PolarHBondContact O-N 2.95Å; W12-K14 VanDerWaalsContact C-N 3.32Å; W12-K14 PolarHBondContact O-N 3.24Å; K14-E18 CarbonylContact O-C 3.56Å; K14-E18 VanDerWaalsContact O-CA 3.25Å; K14-E18 WeakPolarHBondContact O-CA 3.45Å; K14-E18 PolarHBondContact O-N 2.88Å; K14-E18 VanDerWaalsContact O-N 3.1Å; K14-L19 VanDerWaalsContact CA-O 3.28Å; K14-L19 WeakPolarHBondContact CA-O 2.98Å; K14-L19 WeakPolarHBondContact CB-O 3.18Å; K14-L19 VanDerWaalsContact CG-O 3.26Å; K14-L19 WeakPolarHBondContact CG-O 3.42Å; K14-L19 PolarHBondContact O-N 2.82Å; K14-D63 WeakPolarHBondContact CE-O 3.45Å; K14-D63 PolarHBondContact NZ-O 3.01Å; K14-L65 HydrophobicContact CG-CB 4.41Å; K14-L65 HydrophobicContact CG-CD1 4.49Å
15N95.5Very high96.4Very high112 Ų11261.3 Ų61.360%0.59932%0.322SS*.Hα-helixtrans-72.7-50.4-177.8-68.1-17.7000111.6T11 W12T11-N15 VanDerWaalsContact O-CG 3.26Å; T11-N15 PolarHBondContact O-N 2.61Å; T11-N15 PolarHBondContact O-ND2 3.38Å; W12-N15 PolarHBondContact O-N 3.09Å
16E95.8Very high96.4Very high104 Ų10460.8 Ų60.849%0.48632%0.319SS..Hα-helixtrans-73.5-29.3-173.9-69.3-54.2123.400113.1W12W12-E16 HydrophobicContact CD2-CB 4.34Å; W12-E16 HydrophobicContact CD2-CG 3.83Å; W12-E16 HydrophobicContact CE3-CB 4.26Å; W12-E16 HydrophobicContact CE3-CG 4.26Å; W12-E16 HydrophobicContact CG-CG 4.28Å; W12-E16 HydrophobicContact CH2-CB 4.18Å; W12-E16 HydrophobicContact CH2-CG 4.2Å; W12-E16 HydrophobicContact CZ2-CB 4.27Å; W12-E16 HydrophobicContact CZ2-CG 3.77Å; W12-E16 HydrophobicContact CZ3-CB 4.18Å; W12-E16 HydrophobicContact CZ3-CG 4.43Å; W12-E16 WeakPolarHBondContact O-CB 3.22Å; W12-E16 PolarHBondContact O-N 3.01Å
17L95.9Very high96.5Very high48 Ų4859.4 Ų59.425%0.25131%0.31SS..THydrogen-bonded Turntrans-109.17.7-178.1-50.9179.7000113.5F13 L19 L26 F46 V48F13-L17 HydrophobicContact CD1-CD1 3.71Å; F13-L17 HydrophobicContact CE1-CD1 4.41Å; F13-L17 VanDerWaalsContact O-CB 3.22Å; F13-L17 WeakPolarHBondContact O-CB 3.39Å; F13-L17 PolarHBondContact O-N 3.48Å; L17-L19 VanDerWaalsContact C-N 3.25Å; L17-L19 HydrophobicContact CB-CD1 4.2Å; L17-L19 HydrophobicContact CB-CG 4.24Å; L17-L19 PolarHBondContact O-N 2.94Å; L17-L26 HydrophobicContact CD1-CD1 3.67Å; L17-F46 HydrophobicContact CD1-CD2 4.05Å; L17-F46 HydrophobicContact CD1-CE2 4.13Å; L17-F46 HydrophobicContact CD2-CE2 4.47Å; L17-V48 HydrophobicContact CB-CG2 3.9Å; L17-V48 HydrophobicContact CD1-CG2 3.81Å; L17-V48 HydrophobicContact CG-CG2 4.31Å
18E95.4Very high96.6Very high160 Ų16053.4 Ų53.475%0.74828%0.278SS*.THydrogen-bonded Turntrans52.640.7-178.3-58.7-176.4-175.500113.3K14K14-E18 CarbonylContact O-C 3.56Å; K14-E18 VanDerWaalsContact O-CA 3.25Å; K14-E18 WeakPolarHBondContact O-CA 3.45Å; K14-E18 PolarHBondContact O-N 2.88Å; K14-E18 VanDerWaalsContact O-N 3.1Å
19L96.3Very high96.7Very high12 Ų1254.3 Ų54.36%0.06327%0.274CS..  trans-101154.9179.3-72.6176.6000112K14 L17 E21 K24 L26 V48 L65K14-L19 VanDerWaalsContact CA-O 3.28Å; K14-L19 WeakPolarHBondContact CA-O 2.98Å; K14-L19 WeakPolarHBondContact CB-O 3.18Å; K14-L19 VanDerWaalsContact CG-O 3.26Å; K14-L19 WeakPolarHBondContact CG-O 3.42Å; K14-L19 PolarHBondContact O-N 2.82Å; L17-L19 VanDerWaalsContact C-N 3.25Å; L17-L19 HydrophobicContact CB-CD1 4.2Å; L17-L19 HydrophobicContact CB-CG 4.24Å; L17-L19 PolarHBondContact O-N 2.94Å; L19-E21 HydrophobicContact CD2-CB 4.19Å; L19-K24 HydrophobicContact CD2-CB 4.12Å; L19-L26 HydrophobicContact CD1-CB 4.08Å; L19-V48 HydrophobicContact CD1-CG1 4.41Å; L19-V48 HydrophobicContact CD1-CG2 3.95Å; L19-V48 HydrophobicContact CD2-CG1 4.07Å; L19-L65 HydrophobicContact CB-CD1 3.74Å; L19-L65 HydrophobicContact CD1-CD1 3.66Å; L19-L65 HydrophobicContact CG-CD1 4.35Å
20P95.2Very high96.7Very high76 Ų7655.4 Ų55.449%0.49428%0.281SS..  cis-75.2143.5-3.831.7-35.6000113.2D64P20-D64 VanDerWaalsContact CB-O 3.29Å; P20-D64 WeakPolarHBondContact CB-O 3.24Å; P20-D64 HydrophobicContact CG-CB 3.87Å
21E94.6Very high96.7Very high87 Ų8761.4 Ų61.441%0.40730%0.303SS..  trans-120.2143.1169.4-171.5-175.6153.700108.8L19 N23 K24L19-E21 HydrophobicContact CD2-CB 4.19Å; E21-N23 PolarHBondContact O-N 2.87Å; E21-K24 HydrophobicContact CB-CB 4.26Å; E21-K24 HydrophobicContact CB-CD 4.2Å; E21-K24 HydrophobicContact CB-CG 4.41Å; E21-K24 HydrophobicContact CG-CD 4.3Å; E21-K24 PolarHBondContact O-N 3.16Å; E21-K24 WeakPolarHBondContact OE1-CE 3.42Å; E21-K24 IonicContact OE1-NZ 3.07Å; E21-K24 PolarHBondContact OE1-NZ 2.84Å; E21-K24 VanDerWaalsContact OE2-CD 3.3Å; E21-K24 WeakPolarHBondContact OE2-CD 3.42Å; E21-K24 VanDerWaalsContact OE2-CE 3.24Å; E21-K24 WeakPolarHBondContact OE2-CE 3.4Å; E21-K24 IonicContact OE2-NZ 3.24Å; E21-K24 PolarHBondContact OE2-NZ 2.93Å
22N94.5Very high96.8Very high157 Ų15767.2 Ų67.284%0.8432%0.318SS*.THydrogen-bonded Turntrans-57.2132.7-178.6-174.653.8000111.1K24N22-K24 PolarHBondContact O-N 3.28Å
23N94.7Very high96.6Very high73 Ų7367 Ų6739%0.3933%0.327SS..THydrogen-bonded Turntrans62.913.7-177.4-161.344.1000115.6E21 P50 K51 E52E21-N23 PolarHBondContact O-N 2.87Å; N23-P50 CarbonylContact O-C 3.53Å; N23-P50 WeakPolarHBondContact O-CA 3.49Å; N23-K51 PolarHBondContact O-N 3.41Å; N23-E52 PolarHBondContact ND2-OE1 3.19Å
24K98.1Very high96.4Very high80 Ų8068.7 Ų68.735%0.34835%0.345SS..EExtended strand (participates in β ladder)trans-113.7148.1172.7-65.3-169.3-1721670112L19 E21 N22 V48 E49L19-K24 HydrophobicContact CD2-CB 4.12Å; E21-K24 HydrophobicContact CB-CB 4.26Å; E21-K24 HydrophobicContact CB-CD 4.2Å; E21-K24 HydrophobicContact CB-CG 4.41Å; E21-K24 HydrophobicContact CG-CD 4.3Å; E21-K24 PolarHBondContact O-N 3.16Å; E21-K24 WeakPolarHBondContact OE1-CE 3.42Å; E21-K24 IonicContact OE1-NZ 3.07Å; E21-K24 PolarHBondContact OE1-NZ 2.84Å; E21-K24 VanDerWaalsContact OE2-CD 3.3Å; E21-K24 WeakPolarHBondContact OE2-CD 3.42Å; E21-K24 VanDerWaalsContact OE2-CE 3.24Å; E21-K24 WeakPolarHBondContact OE2-CE 3.4Å; E21-K24 IonicContact OE2-NZ 3.24Å; E21-K24 PolarHBondContact OE2-NZ 2.93Å; N22-K24 PolarHBondContact O-N 3.28Å; K24-V48 HydrophobicContact CB-CG1 3.79Å; K24-V48 HydrophobicContact CD-CG1 3.77Å; K24-V48 HydrophobicContact CG-CG1 4.28Å; K24-E49 WeakPolarHBondContact CA-O 3.13Å
25V98.5Very high96.1Very high2 Ų276.1 Ų76.11%0.01238%0.38CS..EExtended strand (participates in β ladder)trans-132.5148.9179.8-66.30000110.8V27 V48 E49 K51 V54 N66 V68V25-V27 HydrophobicContact CG2-CG2 3.98Å; V25-V48 WeakPolarHBondContact O-CA 3.46Å; V25-E49 PolarHBondContact N-O 3.07Å; V25-E49 PolarHBondContact O-N 2.87Å; V25-E49 VanDerWaalsContact O-N 3.16Å; V25-K51 HydrophobicContact CG1-CB 3.96Å; V25-K51 HydrophobicContact CG1-CD 4.15Å; V25-K51 HydrophobicContact CG1-CG 3.96Å; V25-V54 HydrophobicContact CG2-CG2 4.23Å; V25-N66 HydrophobicContact CG1-CB 4.05Å; V25-N66 WeakPolarHBondContact CG1-ND2 3.45Å; V25-V68 HydrophobicContact CB-CG1 4.21Å; V25-V68 HydrophobicContact CB-CG2 4.07Å; V25-V68 HydrophobicContact CG1-CG1 4.35Å; V25-V68 HydrophobicContact CG2-CG1 4.43Å; V25-V68 HydrophobicContact CG2-CG2 3.69Å
26L98.6Very high96.1Very high0 Ų073 Ų730%036%0.361CS..EExtended strand (participates in β ladder)trans-80.7113.8169.7176.962.5000108.6F13 L17 L19 F28 F46 L65 N66 V67 V68F13-L26 HydrophobicContact CB-CD2 4.12Å; F13-L26 HydrophobicContact CD1-CD1 4.05Å; F13-L26 HydrophobicContact CD1-CD2 3.65Å; F13-L26 HydrophobicContact CD2-CD2 3.67Å; F13-L26 HydrophobicContact CE1-CD1 4.14Å; F13-L26 HydrophobicContact CE1-CD2 3.89Å; F13-L26 HydrophobicContact CE2-CD2 3.91Å; F13-L26 HydrophobicContact CG-CD2 3.55Å; F13-L26 HydrophobicContact CZ-CD2 4.01Å; L17-L26 HydrophobicContact CD1-CD1 3.67Å; L19-L26 HydrophobicContact CD1-CB 4.08Å; L26-F28 HydrophobicContact CD2-CE2 4.14Å; L26-F28 HydrophobicContact CD2-CZ 4.34Å; L26-F28 HydrophobicContact CG-CE2 4.45Å; L26-F46 HydrophobicContact CD1-CB 3.86Å; L26-F46 HydrophobicContact CD1-CD2 4.11Å; L26-F46 HydrophobicContact CD1-CG 4.26Å; L26-L65 HydrophobicContact CB-CD1 4.26Å; L26-L65 HydrophobicContact CD2-CD1 4.47Å; L26-L65 HydrophobicContact CD2-CD2 4.1Å; L26-N66 PolarHBondContact N-O 2.96Å; L26-V67 HydrophobicContact CB-CG2 4.46Å; L26-V67 HydrophobicContact CD2-CG2 4.13Å; L26-V67 CarbonylContact O-C 3.59Å; L26-V67 WeakPolarHBondContact O-CA 3.29Å; L26-V68 PolarHBondContact O-N 3.36Å
27V98.6Very high96Very high4 Ų472.2 Ų72.22%0.02436%0.358CS..EExtended strand (participates in β ladder)trans-101.5118.1-178-176.60000109.2V25 F46 T47 E49 V54 V68V25-V27 HydrophobicContact CG2-CG2 3.98Å; V27-F46 CarbonylContact O-C 3.48Å; V27-F46 WeakPolarHBondContact O-CA 3.49Å; V27-T47 HydrophobicContact CB-CG2 3.97Å; V27-T47 PolarHBondContact N-O 3.2Å; V27-T47 PolarHBondContact O-N 3.29Å; V27-E49 HydrophobicContact CG2-CB 3.97Å; V27-E49 HydrophobicContact CG2-CG 4.14Å; V27-V54 HydrophobicContact CG2-CG2 3.77Å; V27-V68 WeakPolarHBondContact CA-O 3.05Å; V27-V68 HydrophobicContact CB-CG2 4.15Å; V27-V68 HydrophobicContact CG1-CG2 4.37Å; V27-V68 HydrophobicContact CG2-CG2 3.64Å
28F98.4Very high96Very high2 Ų271.5 Ų71.51%0.00935%0.354CS..EExtended strand (participates in β ladder)trans-83.5126.7162.4-74.7-77.9000109.6I3 L5 F13 L26 A45 F46 V67 V68 V69 F77 V84 Y95I3-F28 HydrophobicContact CD1-CD2 4.3Å; I3-F28 HydrophobicContact CG2-CE2 4.41Å; L5-F28 HydrophobicContact CD1-CE2 4.26Å; F13-F28 AromaticContact CE2-CZ 3.97Å; F13-F28 HydrophobicContact CE2-CZ 3.97Å; F13-F28 HydrophobicContact CZ-CE1 4.18Å; F13-F28 AromaticContact CZ-CZ 3.72Å; F13-F28 HydrophobicContact CZ-CZ 3.72Å; L26-F28 HydrophobicContact CD2-CE2 4.14Å; L26-F28 HydrophobicContact CD2-CZ 4.34Å; L26-F28 HydrophobicContact CG-CE2 4.45Å; F28-A45 VanDerWaalsContact CA-O 3.32Å; F28-A45 WeakPolarHBondContact CA-O 3.46Å; F28-F46 HydrophobicContact CD1-CB 3.98Å; F28-F46 HydrophobicContact CE1-CB 3.99Å; F28-F46 HydrophobicContact CE1-CD1 4.21Å; F28-V67 HydrophobicContact CD2-CG1 3.51Å; F28-V67 HydrophobicContact CE2-CG1 3.51Å; F28-V68 PolarHBondContact N-O 2.78Å; F28-V69 HydrophobicContact CB-CG2 4.15Å; F28-F77 HydrophobicContact CB-CE1 4.26Å; F28-F77 HydrophobicContact CB-CZ 4.08Å; F28-V84 HydrophobicContact CE1-CG2 4.47Å; F28-V84 HydrophobicContact CZ-CG1 4.19Å; F28-V84 HydrophobicContact CZ-CG2 4.08Å; F28-Y95 HydrophobicContact CD1-CE1 4.08Å; F28-Y95 AromaticContact CE1-CE1 3.63Å; F28-Y95 HydrophobicContact CE1-CE1 3.63Å
29F98Very high96Very high62 Ų6266.5 Ų66.527%0.27233%0.33SS..EExtended strand (participates in β ladder)trans-131.3165.4-179.371.2-90.4000111.4R31 P44 A45 F46 T47F29-R31 HydrophobicContact CE2-CB 4.2Å; F29-P44 CarbonylContact O-C 3.54Å; F29-P44 WeakPolarHBondContact O-CA 3.5Å; F29-A45 HydrophobicContact CD1-CB 4.33Å; F29-A45 HydrophobicContact CD2-CB 4.36Å; F29-A45 HydrophobicContact CE1-CB 3.79Å; F29-A45 HydrophobicContact CE2-CB 3.81Å; F29-A45 HydrophobicContact CZ-CB 3.5Å; F29-A45 VanDerWaalsContact CZ-CB 3.5Å; F29-A45 PolarHBondContact N-O 2.99Å; F29-A45 PolarHBondContact O-N 2.91Å; F29-F46 VanDerWaalsContact CE1-C 3.48Å; F29-F46 WeakPolarHBondContact CE1-O 3.47Å; F29-T47 HydrophobicContact CD1-CG2 3.83Å; F29-T47 HydrophobicContact CE1-CG2 3.89Å
30V97.9Very high95.9Very high23 Ų2374.9 Ų74.914%0.13937%0.369CS..EExtended strand (participates in β ladder)trans-96.5133.1-177.8-167.50000110.4F42 D73 W75 Y76 F77V30-F42 HydrophobicContact CG1-CB 3.8Å; V30-F42 HydrophobicContact CG1-CD1 3.79Å; V30-F42 HydrophobicContact CG1-CG 4.14Å; V30-D73 HydrophobicContact CG2-CB 3.89Å; V30-W75 HydrophobicContact CB-CZ2 4.41Å; V30-W75 HydrophobicContact CG1-CH2 4.21Å; V30-W75 HydrophobicContact CG1-CZ2 3.87Å; V30-W75 HydrophobicContact CG2-CZ2 4.38Å; V30-Y76 HydrophobicContact CB-CG 4.44Å; V30-Y76 HydrophobicContact CG1-CD1 4.47Å; V30-Y76 HydrophobicContact CG1-CD2 3.79Å; V30-Y76 HydrophobicContact CG1-CE2 4.32Å; V30-Y76 HydrophobicContact CG1-CG 3.89Å; V30-Y76 HydrophobicContact CG2-CD1 4.04Å; V30-Y76 HydrophobicContact CG2-CD2 4.4Å; V30-Y76 HydrophobicContact CG2-CG 3.67Å; V30-F77 HydrophobicContact CG2-CE2 3.75Å; V30-F77 HydrophobicContact CG2-CZ 4.43Å
31R97.5Very high96Very high131 Ų13172.7 Ų72.749%0.49436%0.36SS..EExtended strand (participates in β ladder)trans-126.5159.3172.666.6171.7179.6-178.1-0.7112F29 F42 S43 A45F29-R31 HydrophobicContact CE2-CB 4.2Å; R31-F42 CarbonylContact O-C 3.59Å; R31-F42 VanDerWaalsContact O-CA 3.29Å; R31-F42 WeakPolarHBondContact O-CA 3.31Å; R31-S43 WeakPolarHBondContact CG-O 3.44Å; R31-S43 WeakPolarHBondContact CG-OG 3.18Å; R31-S43 PolarHBondContact N-O 2.84Å; R31-S43 PolarHBondContact NE-OG 2.85Å; R31-S43 VanDerWaalsContact NE-OG 3.12Å; R31-S43 PolarHBondContact O-N 3.15Å; R31-A45 HydrophobicContact CG-CB 4.09Å
32Y97.1Very high96.2Very high195 Ų19571 Ų7177%0.76535%0.351SS*.EExtended strand (participates in β ladder)trans-73.9142.3171.7-71-75.6000111.8F42Y32-F42 AromaticContact CD1-CD1 3.93Å; Y32-F42 HydrophobicContact CD1-CD1 3.93Å; Y32-F42 AromaticContact CD1-CE1 3.48Å; Y32-F42 HydrophobicContact CD1-CE1 3.48Å; Y32-F42 VanDerWaalsContact CD1-CE1 3.48Å; Y32-F42 AromaticContact CD1-CZ 3.97Å; Y32-F42 HydrophobicContact CD1-CZ 3.97Å; Y32-F42 HydrophobicContact CE1-CD1 4.05Å; Y32-F42 AromaticContact CE1-CE1 3.12Å; Y32-F42 HydrophobicContact CE1-CE1 3.12Å; Y32-F42 HydrophobicContact CE1-CE2 4.39Å; Y32-F42 AromaticContact CE1-CZ 3.35Å; Y32-F42 HydrophobicContact CE1-CZ 3.35Å; Y32-F42 HydrophobicContact CE2-CE1 4.37Å; Y32-F42 HydrophobicContact CG-CE1 4.26Å; Y32-F42 AromaticContact CZ-CE1 3.63Å
33G94.9Very high96.3Very high32 Ų3263.6 Ų63.633%0.3331%0.312SS..  trans72.6-164.6-17900000112.5G41 S43G33-G41 PolarHBondContact N-O 2.85Å; G33-S43 WeakPolarHBondContact O-CB 3.49Å; G33-S43 PolarHBondContact O-N 2.97Å; G33-S43 PolarHBondContact O-OG 2.59Å
34G92Very high96.4Very high36 Ų3660.3 Ų60.337%0.37130%0.295SS..  trans95.3160.3-173.200000113.1Q37G34-Q37 PolarHBondContact O-NE2 3.31Å
35E90.5Very high96.4Very high202 Ų20257 Ų5794%0.94428%0.283SS*.SBendtrans-80.8-48.2-172.3-62.4-169.1128.600112.5Q37E35-Q37 PolarHBondContact O-N 3.14Å
36F94.7Very high96.3Very high46 Ų4659.6 Ų59.620%0.20229%0.294CS..  trans-77118.2175.3-177.9-100.4000110.4L38 S43 P44 Y95 T97F36-L38 HydrophobicContact CE1-CD1 4.22Å; F36-L38 HydrophobicContact CE1-CD2 3.8Å; F36-L38 HydrophobicContact CE1-CG 3.7Å; F36-L38 HydrophobicContact CZ-CD2 3.56Å; F36-L38 HydrophobicContact CZ-CG 4.02Å; F36-S43 WeakPolarHBondContact O-CA 3.14Å; F36-S43 WeakPolarHBondContact O-CB 3.49Å; F36-P44 HydrophobicContact CD1-CG 3.81Å; F36-P44 HydrophobicContact CE1-CG 4.26Å; F36-Y95 VanDerWaalsContact CD1-CB 3.42Å; F36-Y95 HydrophobicContact CD1-CG 4.09Å; F36-Y95 WeakPolarHBondContact CD2-O 3.49Å; F36-Y95 HydrophobicContact CE1-CG 4.44Å; F36-Y95 HydrophobicContact CG-CG 4.48Å; F36-T97 HydrophobicContact CE2-CG2 4.18Å; F36-T97 HydrophobicContact CZ-CG2 3.79Å
37Q95.1Very high96.3Very high89 Ų8962 Ų6242%0.41631%0.308SS..  trans-134.2106.9-177-59.7-176.520.800110.9G34 E35 F42G34-Q37 PolarHBondContact O-NE2 3.31Å; E35-Q37 PolarHBondContact O-N 3.14Å; Q37-F42 WeakPolarHBondContact CA-O 3.38Å; Q37-F42 WeakPolarHBondContact CB-O 3.45Å; Q37-F42 WeakPolarHBondContact CG-O 3.46Å
38L94.7Very high96.3Very high33 Ų3363.9 Ų63.917%0.17332%0.32CS..SBendtrans-69.6-41.4167.3-61.4171.3000110.8F36 Y76 D80 I82 T97F36-L38 HydrophobicContact CE1-CD1 4.22Å; F36-L38 HydrophobicContact CE1-CD2 3.8Å; F36-L38 HydrophobicContact CE1-CG 3.7Å; F36-L38 HydrophobicContact CZ-CD2 3.56Å; F36-L38 HydrophobicContact CZ-CG 4.02Å; L38-Y76 HydrophobicContact CB-CE1 4.23Å; L38-Y76 HydrophobicContact CB-CE2 4.13Å; L38-Y76 HydrophobicContact CD1-CD1 4.06Å; L38-Y76 HydrophobicContact CD1-CE1 3.61Å; L38-Y76 HydrophobicContact CG-CE1 4.11Å; L38-Y76 PolarHBondContact N-OH 2.93Å; L38-D80 HydrophobicContact CD1-CB 4.23Å; L38-D80 HydrophobicContact CD2-CB 4.12Å; L38-I82 HydrophobicContact CD1-CD1 3.38Å; L38-I82 HydrophobicContact CD1-CG1 3.73Å; L38-I82 HydrophobicContact CD2-CG1 4.35Å; L38-T97 HydrophobicContact CD2-CG2 3.28Å
39K95.4Very high96.3Very high54 Ų5467.1 Ų67.124%0.23534%0.335CS..BIsolated β-bridgetrans-121.5134.8177.6-45.3-57-171.2-153.30108.8G41 F42 W75 Y76 D79 D80K39-G41 PolarHBondContact O-N 3.44Å; K39-F42 PolarHBondContact O-N 2.94Å; K39-F42 VanDerWaalsContact O-N 3.12Å; K39-W75 HydrophobicContact CB-CZ3 4.17Å; K39-W75 HydrophobicContact CG-CZ3 4.06Å; K39-Y76 HydrophobicContact CB-CD2 4.03Å; K39-Y76 HydrophobicContact CB-CE2 4Å; K39-Y76 HydrophobicContact CG-CD2 3.8Å; K39-Y76 HydrophobicContact CG-CE2 4.09Å; K39-D79 IonicContact NZ-OD2 3.16Å; K39-D79 PolarHBondContact NZ-OD2 2.89Å; K39-D80 IonicContact NZ-OD2 2.92Å; K39-D80 PolarHBondContact NZ-OD2 3.17Å
40Q95.9Very high96.3Very high188 Ų18866.2 Ų66.288%0.87934%0.336SS*.THydrogen-bonded Turntrans-54.4127.5-171.8-175.4179.428.500112.6F42Q40-F42 WeakPolarHBondContact O-CD2 3.32Å
41G97.2Very high96.3Very high31 Ų3168.7 Ų68.732%0.3234%0.344SS..THydrogen-bonded Turntrans86.8-1.5177.600000115G33 K39G33-G41 PolarHBondContact N-O 2.85Å; K39-G41 PolarHBondContact O-N 3.44Å
42F97.9Very high96.3Very high50 Ų5069.6 Ų69.622%0.21935%0.354CS..EExtended strand (participates in β ladder)trans-129140.3-176.7-62.5-87.8000112V30 R31 Y32 Q37 K39 Q40 W75 Y76V30-F42 HydrophobicContact CG1-CB 3.8Å; V30-F42 HydrophobicContact CG1-CD1 3.79Å; V30-F42 HydrophobicContact CG1-CG 4.14Å; R31-F42 CarbonylContact O-C 3.59Å; R31-F42 VanDerWaalsContact O-CA 3.29Å; R31-F42 WeakPolarHBondContact O-CA 3.31Å; Y32-F42 AromaticContact CD1-CD1 3.93Å; Y32-F42 HydrophobicContact CD1-CD1 3.93Å; Y32-F42 AromaticContact CD1-CE1 3.48Å; Y32-F42 HydrophobicContact CD1-CE1 3.48Å; Y32-F42 VanDerWaalsContact CD1-CE1 3.48Å; Y32-F42 AromaticContact CD1-CZ 3.97Å; Y32-F42 HydrophobicContact CD1-CZ 3.97Å; Y32-F42 HydrophobicContact CE1-CD1 4.05Å; Y32-F42 AromaticContact CE1-CE1 3.12Å; Y32-F42 HydrophobicContact CE1-CE1 3.12Å; Y32-F42 HydrophobicContact CE1-CE2 4.39Å; Y32-F42 AromaticContact CE1-CZ 3.35Å; Y32-F42 HydrophobicContact CE1-CZ 3.35Å; Y32-F42 HydrophobicContact CE2-CE1 4.37Å; Y32-F42 HydrophobicContact CG-CE1 4.26Å; Y32-F42 AromaticContact CZ-CE1 3.63Å; Q37-F42 WeakPolarHBondContact CA-O 3.38Å; Q37-F42 WeakPolarHBondContact CB-O 3.45Å; Q37-F42 WeakPolarHBondContact CG-O 3.46Å; K39-F42 PolarHBondContact O-N 2.94Å; K39-F42 VanDerWaalsContact O-N 3.12Å; Q40-F42 WeakPolarHBondContact O-CD2 3.32Å; F42-W75 HydrophobicContact CB-CH2 4.42Å; F42-W75 HydrophobicContact CD1-CH2 4.11Å; F42-W75 HydrophobicContact CD1-CZ2 4.44Å; F42-W75 AromaticContact CD2-CH2 3.86Å; F42-W75 HydrophobicContact CD2-CH2 3.86Å; F42-W75 HydrophobicContact CE1-CH2 4.25Å; F42-W75 HydrophobicContact CE1-CZ2 4.47Å; F42-W75 HydrophobicContact CE2-CH2 4.05Å; F42-W75 AromaticContact CG-CH2 3.89Å; F42-W75 HydrophobicContact CG-CH2 3.89Å; F42-W75 HydrophobicContact CZ-CH2 4.22Å; F42-Y76 HydrophobicContact CB-CD2 3.92Å; F42-Y76 HydrophobicContact CB-CE2 3.54Å; F42-Y76 WeakPolarHBondContact O-CE2 3.28Å; F42-Y76 PolarHBondContact O-OH 2.83Å
43S97Very high96.4Very high3 Ų365.7 Ų65.72%0.02135%0.347CS..EExtended strand (participates in β ladder)trans-125.3156.9173.563.30000111.3R31 G33 F36 Y76R31-S43 WeakPolarHBondContact CG-O 3.44Å; R31-S43 WeakPolarHBondContact CG-OG 3.18Å; R31-S43 PolarHBondContact N-O 2.84Å; R31-S43 PolarHBondContact NE-OG 2.85Å; R31-S43 VanDerWaalsContact NE-OG 3.12Å; R31-S43 PolarHBondContact O-N 3.15Å; G33-S43 WeakPolarHBondContact O-CB 3.49Å; G33-S43 PolarHBondContact O-N 2.97Å; G33-S43 PolarHBondContact O-OG 2.59Å; F36-S43 WeakPolarHBondContact O-CA 3.14Å; F36-S43 WeakPolarHBondContact O-CB 3.49Å; S43-Y76 VanDerWaalsContact CA-OH 3.28Å; S43-Y76 WeakPolarHBondContact CA-OH 3.38Å
44P97.3Very high96.5Very high3 Ų365 Ų652%0.01934%0.336CS..EExtended strand (participates in β ladder)trans-72.8152.4166.333.5-34.3000110.5F29 F36 Y76 F77 Y95F29-P44 CarbonylContact O-C 3.54Å; F29-P44 WeakPolarHBondContact O-CA 3.5Å; F36-P44 HydrophobicContact CD1-CG 3.81Å; F36-P44 HydrophobicContact CE1-CG 4.26Å; P44-Y76 HydrophobicContact CB-CE1 4.15Å; P44-Y76 VanDerWaalsContact CD-OH 3.32Å; P44-Y76 WeakPolarHBondContact CD-OH 3.36Å; P44-Y76 HydrophobicContact CG-CE1 4.34Å; P44-F77 HydrophobicContact CB-CE1 3.85Å; P44-F77 HydrophobicContact CB-CZ 4.01Å; P44-Y95 HydrophobicContact CB-CD1 4.38Å; P44-Y95 HydrophobicContact CB-CE1 4.01Å; P44-Y95 HydrophobicContact CG-CD1 3.7Å; P44-Y95 HydrophobicContact CG-CD2 3.93Å; P44-Y95 HydrophobicContact CG-CE1 3.74Å; P44-Y95 HydrophobicContact CG-CE2 3.98Å; P44-Y95 HydrophobicContact CG-CG 3.78Å
45A96.8Very high96.9Very high11 Ų1169.3 Ų69.39%0.09135%0.35CS..EExtended strand (participates in β ladder)trans-142.3178.4164.700000108.3F28 F29 R31F28-A45 VanDerWaalsContact CA-O 3.32Å; F28-A45 WeakPolarHBondContact CA-O 3.46Å; F29-A45 HydrophobicContact CD1-CB 4.33Å; F29-A45 HydrophobicContact CD2-CB 4.36Å; F29-A45 HydrophobicContact CE1-CB 3.79Å; F29-A45 HydrophobicContact CE2-CB 3.81Å; F29-A45 HydrophobicContact CZ-CB 3.5Å; F29-A45 VanDerWaalsContact CZ-CB 3.5Å; F29-A45 PolarHBondContact N-O 2.99Å; F29-A45 PolarHBondContact O-N 2.91Å; R31-A45 HydrophobicContact CG-CB 4.09Å
46F97.7Very high97.2Very high57 Ų5762 Ų6225%0.2532%0.317CS..EExtended strand (participates in β ladder)trans-139.5157.217858.8-96.3000112.5W12 F13 L17 L26 V27 F28 F29 I93 Y95W12-F46 HydrophobicContact CH2-CE2 4.43Å; W12-F46 AromaticContact CH2-CZ 3.88Å; W12-F46 HydrophobicContact CH2-CZ 3.88Å; W12-F46 HydrophobicContact CZ3-CE2 4.15Å; W12-F46 AromaticContact CZ3-CZ 3.78Å; W12-F46 HydrophobicContact CZ3-CZ 3.78Å; F13-F46 HydrophobicContact CD1-CD2 4.46Å; F13-F46 HydrophobicContact CD1-CE2 4.42Å; F13-F46 AromaticContact CE1-CD1 3.75Å; F13-F46 HydrophobicContact CE1-CD1 3.75Å; F13-F46 AromaticContact CE1-CD2 3.77Å; F13-F46 HydrophobicContact CE1-CD2 3.77Å; F13-F46 AromaticContact CE1-CE1 3.8Å; F13-F46 HydrophobicContact CE1-CE1 3.8Å; F13-F46 AromaticContact CE1-CE2 3.81Å; F13-F46 HydrophobicContact CE1-CE2 3.81Å; F13-F46 AromaticContact CE1-CG 3.75Å; F13-F46 HydrophobicContact CE1-CG 3.75Å; F13-F46 AromaticContact CE1-CZ 3.83Å; F13-F46 HydrophobicContact CE1-CZ 3.83Å; F13-F46 HydrophobicContact CZ-CD1 4.04Å; F13-F46 HydrophobicContact CZ-CE1 4.2Å; F13-F46 HydrophobicContact CZ-CG 4.34Å; L17-F46 HydrophobicContact CD1-CD2 4.05Å; L17-F46 HydrophobicContact CD1-CE2 4.13Å; L17-F46 HydrophobicContact CD2-CE2 4.47Å; L26-F46 HydrophobicContact CD1-CB 3.86Å; L26-F46 HydrophobicContact CD1-CD2 4.11Å; L26-F46 HydrophobicContact CD1-CG 4.26Å; V27-F46 CarbonylContact O-C 3.48Å; V27-F46 WeakPolarHBondContact O-CA 3.49Å; F28-F46 HydrophobicContact CD1-CB 3.98Å; F28-F46 HydrophobicContact CE1-CB 3.99Å; F28-F46 HydrophobicContact CE1-CD1 4.21Å; F29-F46 VanDerWaalsContact CE1-C 3.48Å; F29-F46 WeakPolarHBondContact CE1-O 3.47Å; F46-I93 HydrophobicContact CE1-CB 4.1Å; F46-I93 HydrophobicContact CE1-CG1 4.08Å; F46-I93 HydrophobicContact CE1-CG2 4.37Å; F46-I93 HydrophobicContact CZ-CG1 4.33Å; F46-Y95 WeakPolarHBondContact CD1-OH 3.31Å
47T98.1Very high97.4Very high49 Ų4961.2 Ų61.230%0.30132%0.322SS..EExtended strand (participates in β ladder)trans-150.7170.7175.4-175.80000109.6V27 F29 E49V27-T47 HydrophobicContact CB-CG2 3.97Å; V27-T47 PolarHBondContact N-O 3.2Å; V27-T47 PolarHBondContact O-N 3.29Å; F29-T47 HydrophobicContact CD1-CG2 3.83Å; F29-T47 HydrophobicContact CE1-CG2 3.89Å; T47-E49 HydrophobicContact CG2-CG 3.92Å; T47-E49 VanDerWaalsContact CG2-OE1 3.24Å; T47-E49 WeakPolarHBondContact CG2-OE1 3.33Å
48V98.4Very high97.5Very high44 Ų4459 Ų5927%0.26731%0.31SS..EExtended strand (participates in β ladder)trans-111.4126.1172.2-175.20000108.8L17 L19 K24 V25L17-V48 HydrophobicContact CB-CG2 3.9Å; L17-V48 HydrophobicContact CD1-CG2 3.81Å; L17-V48 HydrophobicContact CG-CG2 4.31Å; L19-V48 HydrophobicContact CD1-CG1 4.41Å; L19-V48 HydrophobicContact CD1-CG2 3.95Å; L19-V48 HydrophobicContact CD2-CG1 4.07Å; K24-V48 HydrophobicContact CB-CG1 3.79Å; K24-V48 HydrophobicContact CD-CG1 3.77Å; K24-V48 HydrophobicContact CG-CG1 4.28Å; V25-V48 WeakPolarHBondContact O-CA 3.46Å
49E98.4Very high97.7Very high70 Ų7061.2 Ų61.233%0.32732%0.32SS..EExtended strand (participates in β ladder)trans-133.4154.7-179.6-63.1-172.6-157.100111.5K24 V25 V27 T47 K51 V54K24-E49 WeakPolarHBondContact CA-O 3.13Å; V25-E49 PolarHBondContact N-O 3.07Å; V25-E49 PolarHBondContact O-N 2.87Å; V25-E49 VanDerWaalsContact O-N 3.16Å; V27-E49 HydrophobicContact CG2-CB 3.97Å; V27-E49 HydrophobicContact CG2-CG 4.14Å; T47-E49 HydrophobicContact CG2-CG 3.92Å; T47-E49 VanDerWaalsContact CG2-OE1 3.24Å; T47-E49 WeakPolarHBondContact CG2-OE1 3.33Å; E49-K51 PolarHBondContact O-N 2.83Å; E49-V54 HydrophobicContact CB-CG2 3.83Å
50P98.2Very high97.8Very high44 Ų4462.7 Ų62.729%0.28633%0.328SS..EExtended strand (participates in β ladder)trans-57.7134.6166.9-22.935.4000110.9N23 E52 D53N23-P50 CarbonylContact O-C 3.53Å; N23-P50 WeakPolarHBondContact O-CA 3.49Å; P50-E52 HydrophobicContact CB-CG 4.31Å; P50-E52 PolarHBondContact O-N 3.06Å; P50-E52 VanDerWaalsContact O-N 3.14Å; P50-D53 HydrophobicContact CB-CB 4.39Å; P50-D53 WeakPolarHBondContact CG-OD2 3.25Å; P50-D53 PolarHBondContact O-N 2.95Å
51K98.1Very high97.8Very high75 Ų7558.2 Ų58.233%0.32631%0.307SS..G310 helixtrans-57.1-35.7-176.1-171.7172.4177.7168.60112.4N23 V25 E49 D53 V54 I56 E59N23-K51 PolarHBondContact O-N 3.41Å; V25-K51 HydrophobicContact CG1-CB 3.96Å; V25-K51 HydrophobicContact CG1-CD 4.15Å; V25-K51 HydrophobicContact CG1-CG 3.96Å; E49-K51 PolarHBondContact O-N 2.83Å; K51-D53 VanDerWaalsContact C-N 3.28Å; K51-D53 PolarHBondContact O-N 2.86Å; K51-V54 PolarHBondContact O-N 2.91Å; K51-I56 HydrophobicContact CD-CD1 4.32Å; K51-I56 VanDerWaalsContact CE-CD1 3.49Å; K51-I56 HydrophobicContact CG-CD1 3.82Å; K51-E59 IonicContact NZ-OE1 3.04Å; K51-E59 PolarHBondContact NZ-OE1 2.91Å; K51-E59 IonicContact NZ-OE2 2.67Å; K51-E59 PolarHBondContact NZ-OE2 2.99Å
52E97.6Very high97.8Very high150 Ų15058.6 Ų58.670%0.70130%0.299SS*.G310 helixtrans-71.4-18.7-179.466.5-167.715300114.6N23 P50N23-E52 PolarHBondContact ND2-OE1 3.19Å; P50-E52 HydrophobicContact CB-CG 4.31Å; P50-E52 PolarHBondContact O-N 3.06Å; P50-E52 VanDerWaalsContact O-N 3.14Å
53D98.3Very high97.6Very high113 Ų11361.6 Ų61.660%0.60432%0.317SS*.G310 helixtrans-87.7-9179-69.3-23.1000112.3P50 K51P50-D53 HydrophobicContact CB-CB 4.39Å; P50-D53 WeakPolarHBondContact CG-OD2 3.25Å; P50-D53 PolarHBondContact O-N 2.95Å; K51-D53 VanDerWaalsContact C-N 3.28Å; K51-D53 PolarHBondContact O-N 2.86Å
54V98.2Very high97.5Very high17 Ų1767.1 Ų67.110%0.10335%0.347CS..SBendtrans-103.9122.8-177.9-172.20000110V25 V27 E49 K51 I56 V68 A70V25-V54 HydrophobicContact CG2-CG2 4.23Å; V27-V54 HydrophobicContact CG2-CG2 3.77Å; E49-V54 HydrophobicContact CB-CG2 3.83Å; K51-V54 PolarHBondContact O-N 2.91Å; V54-I56 HydrophobicContact CB-CG1 4.04Å; V54-I56 HydrophobicContact CG1-CG1 3.81Å; V54-I56 PolarHBondContact O-N 3.14Å; V54-V68 HydrophobicContact CG1-CG2 4.21Å; V54-A70 HydrophobicContact CG1-CB 4.08Å
55D98.6Very high97.5Very high126 Ų12667 Ų6767%0.67435%0.346SS*.  trans-78.387167.4-170.821.9000109.2G57 A70 E71D55-G57 PolarHBondContact O-N 2.76Å; D55-A70 CarbonylContact O-C 3.57Å; D55-A70 VanDerWaalsContact O-CA 3.23Å; D55-A70 WeakPolarHBondContact O-CA 3.41Å; D55-E71 PolarHBondContact O-N 2.94Å
56I98.4Very high97.6Very high48 Ų4867.7 Ų67.725%0.24635%0.348CS..EExtended strand (participates in β ladder)trans-72.8116.8-168.7-65.8170.1000111K51 V54 Y58 E59 V68K51-I56 HydrophobicContact CD-CD1 4.32Å; K51-I56 VanDerWaalsContact CE-CD1 3.49Å; K51-I56 HydrophobicContact CG-CD1 3.82Å; V54-I56 HydrophobicContact CB-CG1 4.04Å; V54-I56 HydrophobicContact CG1-CG1 3.81Å; V54-I56 PolarHBondContact O-N 3.14Å; I56-Y58 WeakPolarHBondContact CG2-O 3.41Å; I56-E59 HydrophobicContact CG2-CB 3.83Å; I56-V68 HydrophobicContact CD1-CG1 3.94Å; I56-V68 HydrophobicContact CG1-CB 4.29Å; I56-V68 HydrophobicContact CG1-CG1 4.17Å; I56-V68 HydrophobicContact CG2-CB 4.4Å; I56-V68 HydrophobicContact CG2-CG1 4.26Å
57G97.8Very high97.6Very high30 Ų3065 Ų6531%0.30934%0.336SS..EExtended strand (participates in β ladder)trans-97-21.6170.800000113.7D55 V69 E71D55-G57 PolarHBondContact O-N 2.76Å; G57-V69 PolarHBondContact N-O 2.87Å; G57-E71 WeakPolarHBondContact CA-OE2 3.23Å
58Y98Very high97.6Very high43 Ų4362.6 Ų62.617%0.16932%0.321CS..EExtended strand (participates in β ladder)trans-146.6139.7174.2172.1-97.2000110.7M1 I3 I56 Q60 V68 V69M1-Y58 HydrophobicContact CE-CD1 3.31Å; M1-Y58 HydrophobicContact CE-CD2 3.39Å; M1-Y58 HydrophobicContact CE-CE1 3.95Å; M1-Y58 HydrophobicContact CE-CE2 4.03Å; M1-Y58 HydrophobicContact CE-CG 2.97Å; I3-Y58 HydrophobicContact CB-CE1 4.37Å; I3-Y58 HydrophobicContact CD1-CE1 4.23Å; I3-Y58 HydrophobicContact CG1-CE1 4.34Å; I56-Y58 WeakPolarHBondContact CG2-O 3.41Å; Y58-Q60 HydrophobicContact CE1-CB 3.94Å; Y58-V68 CarbonylContact O-C 3.55Å; Y58-V68 WeakPolarHBondContact O-CA 3.32Å; Y58-V68 WeakPolarHBondContact O-CB 3.07Å; Y58-V69 HydrophobicContact CD1-CG2 4.24Å; Y58-V69 PolarHBondContact N-O 3.46Å; Y58-V69 VanDerWaalsContact N-O 3.15Å; Y58-V69 PolarHBondContact O-N 2.81Å
59E97.8Very high97.6Very high80 Ų8060.5 Ų60.537%0.37431%0.309SS..EExtended strand (participates in β ladder)trans-142.5133.9-179.8-177.7167.7-169.300109.8K51 I56 N66 V67 V68K51-E59 IonicContact NZ-OE1 3.04Å; K51-E59 PolarHBondContact NZ-OE1 2.91Å; K51-E59 IonicContact NZ-OE2 2.67Å; K51-E59 PolarHBondContact NZ-OE2 2.99Å; I56-E59 HydrophobicContact CG2-CB 3.83Å; E59-N66 VanDerWaalsContact CG-OD1 3.31Å; E59-N66 WeakPolarHBondContact CG-OD1 3.47Å; E59-N66 PolarHBondContact OE1-ND2 2.59Å; E59-N66 PolarHBondContact OE1-OD1 3.13Å; E59-V67 CarbonylContact C-O 3.59Å; E59-V67 WeakPolarHBondContact CA-O 3.07Å; E59-V68 HydrophobicContact CB-CG1 4.12Å; E59-V68 HydrophobicContact CG-CG1 3.92Å
60Q97.5Very high97.7Very high85 Ų8557.6 Ų57.640%0.39730%0.296SS..EExtended strand (participates in β ladder)trans-146.2137.6177.3-173.262.956.600110.8Y58 Y62 V67Y58-Q60 HydrophobicContact CE1-CB 3.94Å; Q60-Y62 HydrophobicContact CB-CE2 3.77Å; Q60-Y62 HydrophobicContact CG-CD2 4.32Å; Q60-Y62 HydrophobicContact CG-CE1 4.35Å; Q60-Y62 HydrophobicContact CG-CE2 3.45Å; Q60-Y62 VanDerWaalsContact CG-CE2 3.45Å; Q60-Y62 VanDerWaalsContact CG-CZ 3.46Å; Q60-Y62 VanDerWaalsContact CG-OH 3.26Å; Q60-Y62 WeakPolarHBondContact CG-OH 3.26Å; Q60-V67 PolarHBondContact N-O 3.13Å; Q60-V67 PolarHBondContact O-N 2.87Å
61Q96.9Very high97.7Very high94 Ų9460.5 Ų60.544%0.43931%0.306SS..EExtended strand (participates in β ladder)trans-100.6132.9-177.7-166.569.96400111.1D64 L65Q61-D64 PolarHBondContact NE2-O 3.35Å; Q61-L65 PolarHBondContact NE2-O 2.93Å
62Y97.1Very high97.7Very high39 Ų3963.8 Ų63.815%0.15332%0.321CS..EExtended strand (participates in β ladder)trans-132.1103.8174.8-55.7-98.7000110.2I3 L5 V10 Q60 D64 L65 V67I3-Y62 PolarHBondContact O-OH 2.8Å; L5-Y62 HydrophobicContact CB-CD1 4.16Å; L5-Y62 HydrophobicContact CB-CE1 4.22Å; L5-Y62 HydrophobicContact CB-CG 4.49Å; L5-Y62 HydrophobicContact CD1-CE2 4.35Å; L5-Y62 HydrophobicContact CD2-CD2 4.49Å; V10-Y62 HydrophobicContact CG2-CD1 4.43Å; V10-Y62 HydrophobicContact CG2-CG 4.27Å; Q60-Y62 HydrophobicContact CB-CE2 3.77Å; Q60-Y62 HydrophobicContact CG-CD2 4.32Å; Q60-Y62 HydrophobicContact CG-CE1 4.35Å; Q60-Y62 HydrophobicContact CG-CE2 3.45Å; Q60-Y62 VanDerWaalsContact CG-CE2 3.45Å; Q60-Y62 VanDerWaalsContact CG-CZ 3.46Å; Q60-Y62 VanDerWaalsContact CG-OH 3.26Å; Q60-Y62 WeakPolarHBondContact CG-OH 3.26Å; Y62-D64 VanDerWaalsContact C-N 3.35Å; Y62-D64 PolarHBondContact O-N 2.79Å; Y62-L65 PolarHBondContact N-O 3.21Å; Y62-L65 WeakPolarHBondContact O-CA 3.37Å; Y62-L65 WeakPolarHBondContact O-CB 3.37Å; Y62-L65 PolarHBondContact O-N 2.99Å; Y62-V67 HydrophobicContact CD2-CB 4.22Å; Y62-V67 HydrophobicContact CD2-CG2 3.67Å; Y62-V67 HydrophobicContact CE2-CB 4Å; Y62-V67 HydrophobicContact CE2-CG2 3.87Å
63D94.2Very high97.7Very high112 Ų11257.2 Ų57.260%0.59929%0.29SS*.THydrogen-bonded Turntrans44.654.2-178.8-63.8-24000113.2V10 K14 L65V10-D63 HydrophobicContact CG1-CB 4.3Å; K14-D63 WeakPolarHBondContact CE-O 3.45Å; K14-D63 PolarHBondContact NZ-O 3.01Å; D63-L65 PolarHBondContact O-N 3.12Å; D63-L65 VanDerWaalsContact O-N 3.09Å
64D94.6Very high97.7Very high120 Ų12053.3 Ų53.364%0.64227%0.269SS*.THydrogen-bonded Turntrans70.4-9-175.4-46.9-43.7000116.5P20 Q61 Y62 N66P20-D64 VanDerWaalsContact CB-O 3.29Å; P20-D64 WeakPolarHBondContact CB-O 3.24Å; P20-D64 HydrophobicContact CG-CB 3.87Å; Q61-D64 PolarHBondContact NE2-O 3.35Å; Y62-D64 VanDerWaalsContact C-N 3.35Å; Y62-D64 PolarHBondContact O-N 2.79Å; D64-N66 PolarHBondContact O-N 3.15Å
65L97.7Very high97.6Very high1 Ų157.2 Ų57.21%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-75.5115.7164.8-177.268.6000110.4L5 V10 F13 K14 L19 L26 Q61 Y62 D63 V67L5-L65 HydrophobicContact CD2-CD2 3.83Å; V10-L65 HydrophobicContact CG1-CB 4.32Å; V10-L65 HydrophobicContact CG1-CD2 4.31Å; F13-L65 HydrophobicContact CB-CD1 4.44Å; F13-L65 HydrophobicContact CB-CD2 3.8Å; F13-L65 HydrophobicContact CD2-CD2 4.28Å; F13-L65 HydrophobicContact CG-CD2 4.39Å; K14-L65 HydrophobicContact CG-CB 4.41Å; K14-L65 HydrophobicContact CG-CD1 4.49Å; L19-L65 HydrophobicContact CB-CD1 3.74Å; L19-L65 HydrophobicContact CD1-CD1 3.66Å; L19-L65 HydrophobicContact CG-CD1 4.35Å; L26-L65 HydrophobicContact CB-CD1 4.26Å; L26-L65 HydrophobicContact CD2-CD1 4.47Å; L26-L65 HydrophobicContact CD2-CD2 4.1Å; Q61-L65 PolarHBondContact NE2-O 2.93Å; Y62-L65 PolarHBondContact N-O 3.21Å; Y62-L65 WeakPolarHBondContact O-CA 3.37Å; Y62-L65 WeakPolarHBondContact O-CB 3.37Å; Y62-L65 PolarHBondContact O-N 2.99Å; D63-L65 PolarHBondContact O-N 3.12Å; D63-L65 VanDerWaalsContact O-N 3.09Å; L65-V67 HydrophobicContact CD2-CG2 4.07Å; L65-V67 HydrophobicContact CG-CG2 4.02Å
66N98Very high97.6Very high24 Ų2451.2 Ų51.213%0.12825%0.25CC..EExtended strand (participates in β ladder)trans-94.6115.3178.3-171.8-1.7000110.3V25 L26 E59 D64V25-N66 HydrophobicContact CG1-CB 4.05Å; V25-N66 WeakPolarHBondContact CG1-ND2 3.45Å; L26-N66 PolarHBondContact N-O 2.96Å; E59-N66 VanDerWaalsContact CG-OD1 3.31Å; E59-N66 WeakPolarHBondContact CG-OD1 3.47Å; E59-N66 PolarHBondContact OE1-ND2 2.59Å; E59-N66 PolarHBondContact OE1-OD1 3.13Å; D64-N66 PolarHBondContact O-N 3.15Å
67V98.3Very high97.5Very high0 Ų049 Ų490%024%0.239CC..EExtended strand (participates in β ladder)trans-109.9130.2-175.4-178.70000109.4L5 L26 F28 E59 Q60 Y62 L65L5-V67 HydrophobicContact CD2-CG2 3.94Å; L26-V67 HydrophobicContact CB-CG2 4.46Å; L26-V67 HydrophobicContact CD2-CG2 4.13Å; L26-V67 CarbonylContact O-C 3.59Å; L26-V67 WeakPolarHBondContact O-CA 3.29Å; F28-V67 HydrophobicContact CD2-CG1 3.51Å; F28-V67 HydrophobicContact CE2-CG1 3.51Å; E59-V67 CarbonylContact C-O 3.59Å; E59-V67 WeakPolarHBondContact CA-O 3.07Å; Q60-V67 PolarHBondContact N-O 3.13Å; Q60-V67 PolarHBondContact O-N 2.87Å; Y62-V67 HydrophobicContact CD2-CB 4.22Å; Y62-V67 HydrophobicContact CD2-CG2 3.67Å; Y62-V67 HydrophobicContact CE2-CB 4Å; Y62-V67 HydrophobicContact CE2-CG2 3.87Å; L65-V67 HydrophobicContact CD2-CG2 4.07Å; L65-V67 HydrophobicContact CG-CG2 4.02Å
68V98.3Very high97.4Very high0 Ų052.4 Ų52.40%025%0.246CC..EExtended strand (participates in β ladder)trans-133.5157.5-177.2-56.60000112.6V25 L26 V27 F28 V54 I56 Y58 E59V25-V68 HydrophobicContact CB-CG1 4.21Å; V25-V68 HydrophobicContact CB-CG2 4.07Å; V25-V68 HydrophobicContact CG1-CG1 4.35Å; V25-V68 HydrophobicContact CG2-CG1 4.43Å; V25-V68 HydrophobicContact CG2-CG2 3.69Å; L26-V68 PolarHBondContact O-N 3.36Å; V27-V68 WeakPolarHBondContact CA-O 3.05Å; V27-V68 HydrophobicContact CB-CG2 4.15Å; V27-V68 HydrophobicContact CG1-CG2 4.37Å; V27-V68 HydrophobicContact CG2-CG2 3.64Å; F28-V68 PolarHBondContact N-O 2.78Å; V54-V68 HydrophobicContact CG1-CG2 4.21Å; I56-V68 HydrophobicContact CD1-CG1 3.94Å; I56-V68 HydrophobicContact CG1-CB 4.29Å; I56-V68 HydrophobicContact CG1-CG1 4.17Å; I56-V68 HydrophobicContact CG2-CB 4.4Å; I56-V68 HydrophobicContact CG2-CG1 4.26Å; Y58-V68 CarbonylContact O-C 3.55Å; Y58-V68 WeakPolarHBondContact O-CA 3.32Å; Y58-V68 WeakPolarHBondContact O-CB 3.07Å; E59-V68 HydrophobicContact CB-CG1 4.12Å; E59-V68 HydrophobicContact CG-CG1 3.92Å
69V98.6Very high97.3Very high0 Ų055.9 Ų55.90%027%0.268CS..EExtended strand (participates in β ladder)trans-125.8132.5163.5-178.90000107.4M1 I3 F28 G57 Y58 D73 L74 F77M1-V69 HydrophobicContact CE-CB 4.19Å; M1-V69 HydrophobicContact CE-CG2 4.03Å; I3-V69 HydrophobicContact CD1-CG2 3.61Å; F28-V69 HydrophobicContact CB-CG2 4.15Å; G57-V69 PolarHBondContact N-O 2.87Å; Y58-V69 HydrophobicContact CD1-CG2 4.24Å; Y58-V69 PolarHBondContact N-O 3.46Å; Y58-V69 VanDerWaalsContact N-O 3.15Å; Y58-V69 PolarHBondContact O-N 2.81Å; V69-D73 HydrophobicContact CG1-CB 3.84Å; V69-L74 HydrophobicContact CB-CD2 4.19Å; V69-L74 HydrophobicContact CG1-CD2 3.98Å; V69-F77 HydrophobicContact CG1-CD2 3.8Å; V69-F77 HydrophobicContact CG1-CE2 3.95Å; V69-F77 HydrophobicContact CG2-CD2 4.4Å
70A98.5Very high97.2Very high8 Ų854.1 Ų54.17%0.06626%0.261CS..EExtended strand (participates in β ladder)trans-68.6148.5175.700000110.9V54 D55 K72 D73 L74V54-A70 HydrophobicContact CG1-CB 4.08Å; D55-A70 CarbonylContact O-C 3.57Å; D55-A70 VanDerWaalsContact O-CA 3.23Å; D55-A70 WeakPolarHBondContact O-CA 3.41Å; A70-K72 HydrophobicContact CB-CG 4.07Å; A70-K72 PolarHBondContact O-N 2.58Å; A70-K72 VanDerWaalsContact O-N 3.13Å; A70-D73 PolarHBondContact O-N 2.88Å; A70-L74 PolarHBondContact O-N 2.96Å
71E98.4Very high97.2Very high105 Ų10551.7 Ų51.749%0.49125%0.25SC..G310 helixtrans-50.6-42.2179.6-173.368.1-169.300111.7D55 G57 D73 L74D55-E71 PolarHBondContact O-N 2.94Å; G57-E71 WeakPolarHBondContact CA-OE2 3.23Å; E71-D73 PolarHBondContact O-N 2.83Å; E71-D73 VanDerWaalsContact O-N 3.13Å; E71-L74 PolarHBondContact O-N 2.91Å; E71-L74 VanDerWaalsContact OE2-CD1 3.28Å; E71-L74 WeakPolarHBondContact OE2-CD1 3.34Å
72K98Very high97.2Very high145 Ų14547.4 Ų47.463%0.6323%0.229SC*.G310 helixtrans-62.9-18.6179.169.9175.7-179.764.60114.8A70 W75A70-K72 HydrophobicContact CB-CG 4.07Å; A70-K72 PolarHBondContact O-N 2.58Å; A70-K72 VanDerWaalsContact O-N 3.13Å; K72-W75 PolarHBondContact O-NE1 3.24Å
73D98.2Very high97.2Very high12 Ų1247.2 Ų47.26%0.06423%0.231CC..G310 helixtrans-106.8-9.2-174.2-70.7-39.8000112.4V30 V69 A70 E71 W75 Y76 F77V30-D73 HydrophobicContact CG2-CB 3.89Å; V69-D73 HydrophobicContact CG1-CB 3.84Å; A70-D73 PolarHBondContact O-N 2.88Å; E71-D73 PolarHBondContact O-N 2.83Å; E71-D73 VanDerWaalsContact O-N 3.13Å; D73-W75 VanDerWaalsContact C-N 3.26Å; D73-W75 PolarHBondContact O-N 3.17Å; D73-W75 VanDerWaalsContact O-N 3.17Å; D73-Y76 PolarHBondContact O-N 3.27Å; D73-Y76 VanDerWaalsContact O-N 3.15Å; D73-F77 HydrophobicContact CB-CE2 4.38Å; D73-F77 VanDerWaalsContact O-CD2 3.28Å; D73-F77 WeakPolarHBondContact O-CD2 3.28Å
74L97.9Very high97.3Very high30 Ų3042 Ų4216%0.15720%0.203CC..Hα-helixtrans-53.6-39.6-177.7-69.7-178.1000113.5M1 V69 A70 E71 Y76 F77 E78M1-L74 HydrophobicContact CE-CD2 3.76Å; M1-L74 HydrophobicContact SD-CD2 3.92Å; V69-L74 HydrophobicContact CB-CD2 4.19Å; V69-L74 HydrophobicContact CG1-CD2 3.98Å; A70-L74 PolarHBondContact O-N 2.96Å; E71-L74 PolarHBondContact O-N 2.91Å; E71-L74 VanDerWaalsContact OE2-CD1 3.28Å; E71-L74 WeakPolarHBondContact OE2-CD1 3.34Å; L74-Y76 PolarHBondContact O-N 3.2Å; L74-F77 PolarHBondContact O-N 3.29Å; L74-E78 VanDerWaalsContact O-CB 3.28Å; L74-E78 WeakPolarHBondContact O-CB 3.36Å; L74-E78 PolarHBondContact O-N 3.32Å
75W97.6Very high97.4Very high100 Ų10039.1 Ų39.138%0.37919%0.188SC..Hα-helixtrans-51.4-26.2-179.170.4-89.5000114.3V30 K39 F42 K72 D73 E78V30-W75 HydrophobicContact CB-CZ2 4.41Å; V30-W75 HydrophobicContact CG1-CH2 4.21Å; V30-W75 HydrophobicContact CG1-CZ2 3.87Å; V30-W75 HydrophobicContact CG2-CZ2 4.38Å; K39-W75 HydrophobicContact CB-CZ3 4.17Å; K39-W75 HydrophobicContact CG-CZ3 4.06Å; F42-W75 HydrophobicContact CB-CH2 4.42Å; F42-W75 HydrophobicContact CD1-CH2 4.11Å; F42-W75 HydrophobicContact CD1-CZ2 4.44Å; F42-W75 AromaticContact CD2-CH2 3.86Å; F42-W75 HydrophobicContact CD2-CH2 3.86Å; F42-W75 HydrophobicContact CE1-CH2 4.25Å; F42-W75 HydrophobicContact CE1-CZ2 4.47Å; F42-W75 HydrophobicContact CE2-CH2 4.05Å; F42-W75 AromaticContact CG-CH2 3.89Å; F42-W75 HydrophobicContact CG-CH2 3.89Å; F42-W75 HydrophobicContact CZ-CH2 4.22Å; K72-W75 PolarHBondContact O-NE1 3.24Å; D73-W75 VanDerWaalsContact C-N 3.26Å; D73-W75 PolarHBondContact O-N 3.17Å; D73-W75 VanDerWaalsContact O-N 3.17Å; W75-E78 WeakPolarHBondContact CA-OE1 3.3Å
76Y97.6Very high97.3Very high0 Ų039.9 Ų39.90%019%0.192CC..Hα-helixtrans-80.8-34.1-179.9-177.7-99.2000112.7V30 L38 K39 F42 S43 P44 D73 L74V30-Y76 HydrophobicContact CB-CG 4.44Å; V30-Y76 HydrophobicContact CG1-CD1 4.47Å; V30-Y76 HydrophobicContact CG1-CD2 3.79Å; V30-Y76 HydrophobicContact CG1-CE2 4.32Å; V30-Y76 HydrophobicContact CG1-CG 3.89Å; V30-Y76 HydrophobicContact CG2-CD1 4.04Å; V30-Y76 HydrophobicContact CG2-CD2 4.4Å; V30-Y76 HydrophobicContact CG2-CG 3.67Å; L38-Y76 HydrophobicContact CB-CE1 4.23Å; L38-Y76 HydrophobicContact CB-CE2 4.13Å; L38-Y76 HydrophobicContact CD1-CD1 4.06Å; L38-Y76 HydrophobicContact CD1-CE1 3.61Å; L38-Y76 HydrophobicContact CG-CE1 4.11Å; L38-Y76 PolarHBondContact N-OH 2.93Å; K39-Y76 HydrophobicContact CB-CD2 4.03Å; K39-Y76 HydrophobicContact CB-CE2 4Å; K39-Y76 HydrophobicContact CG-CD2 3.8Å; K39-Y76 HydrophobicContact CG-CE2 4.09Å; F42-Y76 HydrophobicContact CB-CD2 3.92Å; F42-Y76 HydrophobicContact CB-CE2 3.54Å; F42-Y76 WeakPolarHBondContact O-CE2 3.28Å; F42-Y76 PolarHBondContact O-OH 2.83Å; S43-Y76 VanDerWaalsContact CA-OH 3.28Å; S43-Y76 WeakPolarHBondContact CA-OH 3.38Å; P44-Y76 HydrophobicContact CB-CE1 4.15Å; P44-Y76 VanDerWaalsContact CD-OH 3.32Å; P44-Y76 WeakPolarHBondContact CD-OH 3.36Å; P44-Y76 HydrophobicContact CG-CE1 4.34Å; D73-Y76 PolarHBondContact O-N 3.27Å; D73-Y76 VanDerWaalsContact O-N 3.15Å; L74-Y76 PolarHBondContact O-N 3.2Å
77F97.3Very high96.8Very high2 Ų240.2 Ų40.21%0.00920%0.195CC..Hα-helixtrans-103.1-18.4-171.9-57-94.5000112.2M1 I3 F28 V30 P44 V69 D73 L74 D79 D80 I82M1-F77 HydrophobicContact CG-CB 3.88Å; M1-F77 WeakPolarHBondContact CG-O 3.28Å; M1-F77 HydrophobicContact SD-CB 3.3Å; M1-F77 WeakPolarHBondContact SD-CB 3.28Å; M1-F77 HydrophobicContact SD-CG 4.38Å; I3-F77 HydrophobicContact CD1-CD1 4.21Å; F28-F77 HydrophobicContact CB-CE1 4.26Å; F28-F77 HydrophobicContact CB-CZ 4.08Å; V30-F77 HydrophobicContact CG2-CE2 3.75Å; V30-F77 HydrophobicContact CG2-CZ 4.43Å; P44-F77 HydrophobicContact CB-CE1 3.85Å; P44-F77 HydrophobicContact CB-CZ 4.01Å; V69-F77 HydrophobicContact CG1-CD2 3.8Å; V69-F77 HydrophobicContact CG1-CE2 3.95Å; V69-F77 HydrophobicContact CG2-CD2 4.4Å; D73-F77 HydrophobicContact CB-CE2 4.38Å; D73-F77 VanDerWaalsContact O-CD2 3.28Å; D73-F77 WeakPolarHBondContact O-CD2 3.28Å; L74-F77 PolarHBondContact O-N 3.29Å; F77-D79 VanDerWaalsContact C-N 3.33Å; F77-D79 PolarHBondContact O-N 2.92Å; F77-D80 PolarHBondContact O-N 3.15Å; F77-D80 VanDerWaalsContact O-N 3.12Å; F77-I82 HydrophobicContact CB-CD1 4.19Å; F77-I82 HydrophobicContact CD1-CD1 3.33Å; F77-I82 HydrophobicContact CE1-CD1 4.13Å; F77-I82 HydrophobicContact CG-CD1 4.18Å
78E95.3Very high95.7Very high101 Ų10147.3 Ų47.347%0.47223%0.233SC..THydrogen-bonded Turntrans-60.8-33.4-161.162.7-177.9163.500115.6M1 L74 W75M1-E78 VanDerWaalsContact CA-O 3.31Å; M1-E78 WeakPolarHBondContact CA-O 3.33Å; M1-E78 PolarHBondContact N-O 2.67Å; L74-E78 VanDerWaalsContact O-CB 3.28Å; L74-E78 WeakPolarHBondContact O-CB 3.36Å; L74-E78 PolarHBondContact O-N 3.32Å; W75-E78 WeakPolarHBondContact CA-OE1 3.3Å
79D95.3Very high94.5Very high116 Ų11654.8 Ų54.862%0.6227%0.267SS*.THydrogen-bonded Turntrans-88.1-11.5-176.9-57.8-52.2000113.7K39 F77K39-D79 IonicContact NZ-OD2 3.16Å; K39-D79 PolarHBondContact NZ-OD2 2.89Å; F77-D79 VanDerWaalsContact C-N 3.33Å; F77-D79 PolarHBondContact O-N 2.92Å
80D95.9Very high93.5Very high43 Ų4359.9 Ų59.923%0.2329%0.291CS..  trans-116.9154.3-159.2-67.6-71.9000111.6M1 Q2 L38 K39 F77 I82M1-D80 WeakPolarHBondContact CA-O 3.24Å; Q2-D80 PolarHBondContact N-O 3.04Å; L38-D80 HydrophobicContact CD1-CB 4.23Å; L38-D80 HydrophobicContact CD2-CB 4.12Å; K39-D80 IonicContact NZ-OD2 2.92Å; K39-D80 PolarHBondContact NZ-OD2 3.17Å; F77-D80 PolarHBondContact O-N 3.15Å; F77-D80 VanDerWaalsContact O-N 3.12Å; D80-I82 HydrophobicContact CB-CG1 4.32Å
81H96.6Very high92.9Very high34 Ų3464.1 Ų64.116%0.15731%0.313CS..EExtended strand (participates in β ladder)trans-106.4110.1165.1-177.9177.3000108.1Q2 E4 T97 K98Q2-H81 HydrophobicContact CB-CB 4.29Å; Q2-H81 VanDerWaalsContact CD-CE1 3.48Å; Q2-H81 PolarHBondContact NE2-CE1 3.31Å; Q2-H81 PolarHBondContact NE2-NE2 3.29Å; Q2-H81 CarbonylContact O-C 3.55Å; Q2-H81 WeakPolarHBondContact O-CA 3.33Å; Q2-H81 PolarHBondContact O-CD2 3.33Å; E4-H81 WeakPolarHBondContact CB-NE2 3.3Å; E4-H81 IonicContact OE2-CE1 2.59Å; E4-H81 PolarHBondContact OE2-CE1 2.85Å; E4-H81 VanDerWaalsContact OE2-CE1 3.24Å; E4-H81 IonicContact OE2-NE2 2.97Å; E4-H81 PolarHBondContact OE2-NE2 3.45Å; E4-H81 VanDerWaalsContact OE2-NE2 3.16Å; H81-T97 WeakPolarHBondContact O-CA 3.5Å; H81-K98 HydrophobicContact CB-CB 4.21Å; H81-K98 PolarHBondContact O-N 3.12Å; H81-K98 VanDerWaalsContact O-N 3.1Å
82I96.8Very high92.6Very high3 Ų364.7 Ų64.72%0.01532%0.316CS..EExtended strand (participates in β ladder)trans-104.1126.7-177.1-58152.7000109Q2 I3 E4 L38 F77 D80 V84 Y95 S96Q2-I82 PolarHBondContact O-N 3.03Å; I3-I82 CarbonylContact C-O 3.56Å; I3-I82 WeakPolarHBondContact CA-O 3.18Å; E4-I82 PolarHBondContact N-O 3.06Å; L38-I82 HydrophobicContact CD1-CD1 3.38Å; L38-I82 HydrophobicContact CD1-CG1 3.73Å; L38-I82 HydrophobicContact CD2-CG1 4.35Å; F77-I82 HydrophobicContact CB-CD1 4.19Å; F77-I82 HydrophobicContact CD1-CD1 3.33Å; F77-I82 HydrophobicContact CE1-CD1 4.13Å; F77-I82 HydrophobicContact CG-CD1 4.18Å; D80-I82 HydrophobicContact CB-CG1 4.32Å; I82-V84 HydrophobicContact CG2-CG2 4.3Å; I82-Y95 HydrophobicContact CG2-CD1 4.14Å; I82-S96 CarbonylContact C-O 3.46Å; I82-S96 WeakPolarHBondContact CA-O 3.35Å
83I97.3Very high92.5Very high36 Ų3659 Ų5919%0.18529%0.292CS..EExtended strand (participates in β ladder)trans-100.8122173.1-55.6171.3000107.4E4 T6 S96 K98E4-I83 CarbonylContact O-C 3.57Å; E4-I83 WeakPolarHBondContact O-CA 3.25Å; T6-I83 HydrophobicContact CG2-CG2 4.35Å; I83-S96 PolarHBondContact N-O 2.92Å; I83-S96 PolarHBondContact O-N 3.16Å; I83-S96 PolarHBondContact O-OG 3.24Å; I83-K98 HydrophobicContact CD1-CB 4.21Å
84V97.7Very high92.3Very high1 Ų160.1 Ų60.11%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-102.6121.5176.6-172.50000108.3I3 E4 L5 T6 A9 F13 F28 I82 I93 S94 Y95I3-V84 HydrophobicContact CG2-CG2 3.94Å; E4-V84 PolarHBondContact O-N 2.85Å; L5-V84 HydrophobicContact CD1-CB 4Å; L5-V84 HydrophobicContact CD1-CG2 3.99Å; L5-V84 HydrophobicContact CG-CB 4.05Å; L5-V84 HydrophobicContact CG-CG1 4.43Å; T6-V84 PolarHBondContact N-O 3.28Å; A9-V84 HydrophobicContact CB-CG1 4.33Å; A9-V84 WeakPolarHBondContact CB-O 3.35Å; F13-V84 HydrophobicContact CE2-CG1 3.88Å; F13-V84 HydrophobicContact CZ-CG1 4.21Å; F28-V84 HydrophobicContact CE1-CG2 4.47Å; F28-V84 HydrophobicContact CZ-CG1 4.19Å; F28-V84 HydrophobicContact CZ-CG2 4.08Å; I82-V84 HydrophobicContact CG2-CG2 4.3Å; V84-I93 HydrophobicContact CG1-CG2 3.56Å; V84-S94 WeakPolarHBondContact CA-O 3.47Å; V84-Y95 HydrophobicContact CG1-CE1 4.41Å; V84-Y95 HydrophobicContact CG2-CD1 4.05Å; V84-Y95 HydrophobicContact CG2-CE1 4.16Å
85N96.4Very high92.3Very high61 Ų6160.6 Ų60.633%0.32630%0.301SS..EExtended strand (participates in β ladder)trans-135.5171.1-176.9-159.77.9000111.1T6 I93 S94T6-N85 HydrophobicContact CG2-CB 4.04Å; T6-N85 PolarHBondContact OG1-OD1 3.01Å; N85-I93 WeakPolarHBondContact O-CA 3.33Å; N85-S94 PolarHBondContact N-O 2.8Å; N85-S94 PolarHBondContact O-N 3.1Å; N85-S94 PolarHBondContact O-OG 2.78Å
86V94.5Very high92.2Very high16 Ų1658.2 Ų58.210%0.09730%0.299CS..EExtended strand (participates in β ladder)trans-102139.2172.9-174.20000109.2A8 A9 W12 D88 E92 I93A8-V86 HydrophobicContact CB-CB 4.49Å; A8-V86 HydrophobicContact CB-CG2 4.2Å; A9-V86 HydrophobicContact CB-CG2 4.23Å; W12-V86 HydrophobicContact CB-CG2 3.56Å; W12-V86 HydrophobicContact CG-CG1 4.46Å; W12-V86 HydrophobicContact CG-CG2 3.92Å; V86-D88 PolarHBondContact O-N 3.3Å; V86-E92 WeakPolarHBondContact CA-O 3.34Å; V86-I93 HydrophobicContact CG2-CD1 4.15Å
87V88.7Confident92Very high32 Ų3261.8 Ų61.819%0.19432%0.321CS..EExtended strand (participates in β ladder)trans-8799.2166.6-174.70000107.6H89 E90 D91 E92V87-H89 WeakPolarHBondContact CG1-CE1 3.33Å; V87-H89 PolarHBondContact O-N 3.06Å; V87-E90 HydrophobicContact CB-CB 4.21Å; V87-E90 HydrophobicContact CG1-CB 4.02Å; V87-E90 HydrophobicContact CG1-CG 3.9Å; V87-E90 PolarHBondContact O-N 3.12Å; V87-D91 PolarHBondContact O-N 3.41Å; V87-D91 VanDerWaalsContact O-N 3.14Å; V87-E92 PolarHBondContact N-O 3.07Å
88D74Confident91.6Very high148 Ų14871.1 Ų71.179%0.79136%0.362SS*.THydrogen-bonded Turntrans-50.2-26.3-169.9-71-22000115.7V86V86-D88 PolarHBondContact O-N 3.3Å
89H75.2Confident91.4Very high157 Ų15769.6 Ų69.673%0.72736%0.356SS*.THydrogen-bonded Turntrans-100.3-9.3-176.955.1-78.5000114.1V87V87-H89 WeakPolarHBondContact CG1-CE1 3.33Å; V87-H89 PolarHBondContact O-N 3.06Å
90E75.9Confident91.2Very high107 Ų10767.2 Ų67.250%0.534%0.342SS..THydrogen-bonded Turntrans-112.1-11.4-178-61.2-175.5156.700112V87 E92V87-E90 HydrophobicContact CB-CB 4.21Å; V87-E90 HydrophobicContact CG1-CB 4.02Å; V87-E90 HydrophobicContact CG1-CG 3.9Å; V87-E90 PolarHBondContact O-N 3.12Å; E90-E92 HydrophobicContact CB-CB 4.19Å; E90-E92 HydrophobicContact CB-CG 4.32Å; E90-E92 WeakPolarHBondContact O-CG 3.42Å; E90-E92 PolarHBondContact O-N 2.71Å
91D87.1Confident91Very high97 Ų9768.5 Ų68.552%0.51935%0.348SS..THydrogen-bonded Turntrans5536.1-174.5-161.423.9000111.9W12 V87W12-D91 VanDerWaalsContact CD1-OD1 3.25Å; W12-D91 WeakPolarHBondContact CZ2-O 3.37Å; W12-D91 PolarHBondContact NE1-O 3.44Å; W12-D91 VanDerWaalsContact NE1-O 3.15Å; W12-D91 PolarHBondContact NE1-OD1 2.71Å; V87-D91 PolarHBondContact O-N 3.41Å; V87-D91 VanDerWaalsContact O-N 3.14Å
92E91.8Very high90.6Very high117 Ų11770.5 Ų70.555%0.54736%0.36SS..EExtended strand (participates in β ladder)trans-124.6149.5-174.5-76.2-175.1-16700111.6V86 V87 E90V86-E92 WeakPolarHBondContact CA-O 3.34Å; V87-E92 PolarHBondContact N-O 3.07Å; E90-E92 HydrophobicContact CB-CB 4.19Å; E90-E92 HydrophobicContact CB-CG 4.32Å; E90-E92 WeakPolarHBondContact O-CG 3.42Å; E90-E92 PolarHBondContact O-N 2.71Å
93I95.3Very high90.2Very high25 Ų2574.8 Ų74.813%0.12838%0.381CS..EExtended strand (participates in β ladder)trans-78.1133.8172.8-66.3-65.9000110.3A9 W12 F13 F46 V84 N85 V86 Y95A9-I93 HydrophobicContact CB-CD1 4.34Å; W12-I93 HydrophobicContact CB-CD1 4.46Å; W12-I93 HydrophobicContact CD2-CD1 3.76Å; W12-I93 HydrophobicContact CD2-CG1 3.93Å; W12-I93 HydrophobicContact CE3-CD1 3.44Å; W12-I93 VanDerWaalsContact CE3-CD1 3.44Å; W12-I93 HydrophobicContact CE3-CG1 3.44Å; W12-I93 VanDerWaalsContact CE3-CG1 3.44Å; W12-I93 HydrophobicContact CG-CD1 4.21Å; W12-I93 HydrophobicContact CH2-CG1 3.88Å; W12-I93 HydrophobicContact CZ2-CG1 4.3Å; W12-I93 HydrophobicContact CZ3-CD1 4Å; W12-I93 HydrophobicContact CZ3-CG1 3.42Å; W12-I93 VanDerWaalsContact CZ3-CG1 3.42Å; F13-I93 HydrophobicContact CD2-CD1 4.32Å; F13-I93 HydrophobicContact CE1-CD1 4.19Å; F13-I93 HydrophobicContact CE1-CG1 3.93Å; F13-I93 HydrophobicContact CE2-CD1 3.77Å; F13-I93 HydrophobicContact CE2-CG1 4.31Å; F13-I93 HydrophobicContact CZ-CD1 3.69Å; F13-I93 HydrophobicContact CZ-CG1 3.7Å; F13-I93 HydrophobicContact CZ-CG2 4.13Å; F46-I93 HydrophobicContact CE1-CB 4.1Å; F46-I93 HydrophobicContact CE1-CG1 4.08Å; F46-I93 HydrophobicContact CE1-CG2 4.37Å; F46-I93 HydrophobicContact CZ-CG1 4.33Å; V84-I93 HydrophobicContact CG1-CG2 3.56Å; N85-I93 WeakPolarHBondContact O-CA 3.33Å; V86-I93 HydrophobicContact CG2-CD1 4.15Å; I93-Y95 HydrophobicContact CG2-CE1 4.35Å; I93-Y95 HydrophobicContact CG2-CE2 4.09Å
94S95.3Very high89.8Confident37 Ų3777.3 Ų77.326%0.25939%0.394SS..EExtended strand (participates in β ladder)trans-116.3153.3172.559.10000111.6V84 N85V84-S94 WeakPolarHBondContact CA-O 3.47Å; N85-S94 PolarHBondContact N-O 2.8Å; N85-S94 PolarHBondContact O-N 3.1Å; N85-S94 PolarHBondContact O-OG 2.78Å
95Y96.4Very high89.2Confident40 Ų4082.8 Ų82.816%0.15742%0.422CS..EExtended strand (participates in β ladder)trans-121.4141.7177-55.7-89000109.7F28 F36 P44 F46 I82 V84 I93F28-Y95 HydrophobicContact CD1-CE1 4.08Å; F28-Y95 AromaticContact CE1-CE1 3.63Å; F28-Y95 HydrophobicContact CE1-CE1 3.63Å; F36-Y95 VanDerWaalsContact CD1-CB 3.42Å; F36-Y95 HydrophobicContact CD1-CG 4.09Å; F36-Y95 WeakPolarHBondContact CD2-O 3.49Å; F36-Y95 HydrophobicContact CE1-CG 4.44Å; F36-Y95 HydrophobicContact CG-CG 4.48Å; P44-Y95 HydrophobicContact CB-CD1 4.38Å; P44-Y95 HydrophobicContact CB-CE1 4.01Å; P44-Y95 HydrophobicContact CG-CD1 3.7Å; P44-Y95 HydrophobicContact CG-CD2 3.93Å; P44-Y95 HydrophobicContact CG-CE1 3.74Å; P44-Y95 HydrophobicContact CG-CE2 3.98Å; P44-Y95 HydrophobicContact CG-CG 3.78Å; F46-Y95 WeakPolarHBondContact CD1-OH 3.31Å; I82-Y95 HydrophobicContact CG2-CD1 4.14Å; V84-Y95 HydrophobicContact CG1-CE1 4.41Å; V84-Y95 HydrophobicContact CG2-CD1 4.05Å; V84-Y95 HydrophobicContact CG2-CE1 4.16Å; I93-Y95 HydrophobicContact CG2-CE1 4.35Å; I93-Y95 HydrophobicContact CG2-CE2 4.09Å
96S95.7Very high88.7Confident50 Ų5084.5 Ų84.535%0.3543%0.429SS..EExtended strand (participates in β ladder)trans-146.4161.917357.90000110.2I82 I83I82-S96 CarbonylContact C-O 3.46Å; I82-S96 WeakPolarHBondContact CA-O 3.35Å; I83-S96 PolarHBondContact N-O 2.92Å; I83-S96 PolarHBondContact O-N 3.16Å; I83-S96 PolarHBondContact O-OG 3.24Å
97T94.5Very high88.2Confident74 Ų7490.2 Ų90.245%0.45446%0.457SS..EExtended strand (participates in β ladder)trans-104.8149.1172.555.90000110.3F36 L38 H81F36-T97 HydrophobicContact CE2-CG2 4.18Å; F36-T97 HydrophobicContact CZ-CG2 3.79Å; L38-T97 HydrophobicContact CD2-CG2 3.28Å; H81-T97 WeakPolarHBondContact O-CA 3.5Å
98K88.3Confident88.1Confident198 Ų19895.5 Ų95.586%0.86148%0.481SS*.  trans-80.80169.8-166.4169.9-172.8165.70112.8H81 I83H81-K98 HydrophobicContact CB-CB 4.21Å; H81-K98 PolarHBondContact O-N 3.12Å; H81-K98 VanDerWaalsContact O-N 3.1Å; I83-K98 HydrophobicContact CD1-CB 4.21Å

Retrieved 98 of 98 residues in 423.6 ms (Link to these results)

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