A0A087XZS5_POEFO Loading...

Late endosomal/lysosomal adaptor, MAPK and MTOR activator 2

AlphaFold DB , UniProt , Accession A0A087XZS5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 125 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
1M63Low86.9Confident234 Ų23495.6 Ų95.6100%1.15348%0.476SS*.  0124.20-75.4-175.2171.900109.4
2L72.8Confident87.7Confident63 Ų6391.5 Ų91.533%0.3346%0.463SS..  trans-65.8140.6174.9-142.884.2000109.8P4 L7 L119 V122L2-P4 WeakPolarHBondContact O-CD 3.42Å; L2-L7 HydrophobicContact CD2-CB 4.43Å; L2-L7 HydrophobicContact CD2-CD2 3.7Å; L2-L7 HydrophobicContact CD2-CG 4.49Å; L2-L119 HydrophobicContact CD1-CD2 3.99Å; L2-L119 HydrophobicContact CD2-CD2 3.82Å; L2-V122 HydrophobicContact CB-CG1 4.33Å; L2-V122 HydrophobicContact CB-CG2 4.18Å; L2-V122 HydrophobicContact CD1-CB 4.27Å; L2-V122 HydrophobicContact CD1-CG2 3.67Å
3R84.4Confident88.4Confident201 Ų20194.5 Ų94.576%0.75847%0.474SS*.  trans-97.1106.6175.6-68.4-175.6-178.9-175.21109.3K5 A6 L7R3-K5 VanDerWaalsContact C-N 3.31Å; R3-K5 PolarHBondContact O-N 3.45Å; R3-A6 HydrophobicContact CB-CB 3.96Å; R3-A6 PolarHBondContact O-N 3.3Å; R3-L7 PolarHBondContact O-N 3.29Å; R3-L7 VanDerWaalsContact O-N 3.07Å
4P84.2Confident89Confident99 Ų9988.2 Ų88.264%0.64344%0.444SS*.Hα-helixtrans-57.3-39.9-172.1-27.235.6000113.8L2 A6 L7 T8L2-P4 WeakPolarHBondContact O-CD 3.42Å; P4-A6 PolarHBondContact O-N 3.24Å; P4-L7 PolarHBondContact O-N 3.24Å; P4-T8 PolarHBondContact O-N 2.94Å; P4-T8 PolarHBondContact O-OG1 3.33Å
5K87.8Confident89.5Confident188 Ų18884 Ų8482%0.81742%0.424SS*.Hα-helixtrans-62.3-40.7177-69.8-173.5177-177.50112.9R3 Q9R3-K5 VanDerWaalsContact C-N 3.31Å; R3-K5 PolarHBondContact O-N 3.45Å; K5-Q9 WeakPolarHBondContact O-CB 3.36Å; K5-Q9 PolarHBondContact O-N 3Å; K5-Q9 VanDerWaalsContact O-N 3.08Å
6A90.7Very high89.8Confident46 Ų4682.8 Ų82.838%0.3842%0.422SS..Hα-helixtrans-68.8-38.7178.600000110.8R3 P4 Q9 V10R3-A6 HydrophobicContact CB-CB 3.96Å; R3-A6 PolarHBondContact O-N 3.3Å; P4-A6 PolarHBondContact O-N 3.24Å; A6-Q9 PolarHBondContact O-N 3.26Å; A6-V10 WeakPolarHBondContact O-CG2 2.85Å; A6-V10 PolarHBondContact O-N 2.91Å
7L92.6Very high90.1Very high17 Ų1786.7 Ų86.79%0.08944%0.444CS..Hα-helixtrans-60.1-50.7174.6178.963.2000111.3L2 R3 P4 Q9 V10 L11 L24 A33 L115L2-L7 HydrophobicContact CD2-CB 4.43Å; L2-L7 HydrophobicContact CD2-CD2 3.7Å; L2-L7 HydrophobicContact CD2-CG 4.49Å; R3-L7 PolarHBondContact O-N 3.29Å; R3-L7 VanDerWaalsContact O-N 3.07Å; P4-L7 PolarHBondContact O-N 3.24Å; L7-Q9 PolarHBondContact O-N 3.23Å; L7-V10 WeakPolarHBondContact O-CB 3.43Å; L7-V10 PolarHBondContact O-N 3.37Å; L7-L11 HydrophobicContact CD1-CG 4.44Å; L7-L11 HydrophobicContact CG-CD1 4.44Å; L7-L11 WeakPolarHBondContact O-CG 3.29Å; L7-L11 PolarHBondContact O-N 3.26Å; L7-L24 HydrophobicContact CD1-CD2 4.39Å; L7-L24 HydrophobicContact CD2-CD2 3.79Å; L7-A33 HydrophobicContact CD2-CB 3.45Å; L7-A33 VanDerWaalsContact CD2-CB 3.45Å; L7-A33 HydrophobicContact CG-CB 3.96Å; L7-L115 HydrophobicContact CD1-CD1 4.29Å; L7-L115 HydrophobicContact CD1-CD2 3.78Å
8T93.1Very high90.4Very high54 Ų5483.2 Ų83.233%0.33143%0.433SS..Hα-helixtrans-57.3-38.4176.3-62.50000112.3P4 V10 L11 S12 Y34P4-T8 PolarHBondContact O-N 2.94Å; P4-T8 PolarHBondContact O-OG1 3.33Å; T8-V10 VanDerWaalsContact C-N 3.34Å; T8-L11 PolarHBondContact O-N 3.33Å; T8-S12 WeakPolarHBondContact O-CB 3.35Å; T8-S12 PolarHBondContact O-N 3.11Å; T8-Y34 WeakPolarHBondContact CG2-O 3.37Å
9Q94Very high90.7Very high129 Ų12979.3 Ų79.360%0.60341%0.413SS*.Hα-helixtrans-69-29.8176.7-172.9179.5-5.500113.1K5 A6 L7 S12 Q13K5-Q9 WeakPolarHBondContact O-CB 3.36Å; K5-Q9 PolarHBondContact O-N 3Å; K5-Q9 VanDerWaalsContact O-N 3.08Å; A6-Q9 PolarHBondContact O-N 3.26Å; L7-Q9 PolarHBondContact O-N 3.23Å; Q9-S12 PolarHBondContact O-OG 3.44Å; Q9-Q13 WeakPolarHBondContact O-CG 3.27Å
10V96.2Very high90.9Very high21 Ų2178.8 Ų78.813%0.12741%0.409CS..Hα-helixtrans-71.6-47.4172.9170.70000110A6 L7 T8 S12 Q13 L111 Y114 L115A6-V10 WeakPolarHBondContact O-CG2 2.85Å; A6-V10 PolarHBondContact O-N 2.91Å; L7-V10 WeakPolarHBondContact O-CB 3.43Å; L7-V10 PolarHBondContact O-N 3.37Å; T8-V10 VanDerWaalsContact C-N 3.34Å; V10-S12 PolarHBondContact O-N 3.49Å; V10-Q13 WeakPolarHBondContact O-CB 3.31Å; V10-Q13 PolarHBondContact O-N 2.89Å; V10-Q13 VanDerWaalsContact O-N 3.16Å; V10-L111 HydrophobicContact CG1-CD2 3.88Å; V10-Y114 HydrophobicContact CB-CE1 4.48Å; V10-Y114 HydrophobicContact CG1-CD1 3.75Å; V10-Y114 HydrophobicContact CG1-CE1 3.87Å; V10-Y114 HydrophobicContact CG2-CD1 4.48Å; V10-Y114 HydrophobicContact CG2-CE1 3.75Å; V10-L115 HydrophobicContact CG1-CD2 4.04Å; V10-L115 HydrophobicContact CG1-CG 4.38Å
11L96.8Very high91.2Very high0 Ų075 Ų750%039%0.389CS..Hα-helixtrans-59.1-36.8177.7-60.2-179.6000111.9L7 T8 Q13 A14 T22 L24 A33 L91 L115L7-L11 HydrophobicContact CD1-CG 4.44Å; L7-L11 HydrophobicContact CG-CD1 4.44Å; L7-L11 WeakPolarHBondContact O-CG 3.29Å; L7-L11 PolarHBondContact O-N 3.26Å; T8-L11 PolarHBondContact O-N 3.33Å; L11-Q13 PolarHBondContact O-N 3.04Å; L11-A14 PolarHBondContact O-N 2.7Å; L11-T22 HydrophobicContact CB-CG2 3.94Å; L11-T22 HydrophobicContact CD2-CG2 3.8Å; L11-T22 HydrophobicContact CG-CG2 4.33Å; L11-L24 HydrophobicContact CD1-CB 4.23Å; L11-A33 HydrophobicContact CD1-CB 3.8Å; L11-L91 HydrophobicContact CD2-CD1 4.03Å; L11-L115 HydrophobicContact CD2-CD1 3.93Å
12S96.6Very high92.9Very high46 Ų4663.9 Ų63.932%0.32233%0.334SS..Hα-helixtrans-65.2-22.6-179.3740000114T8 Q9 V10 A14 N15 S35T8-S12 WeakPolarHBondContact O-CB 3.35Å; T8-S12 PolarHBondContact O-N 3.11Å; Q9-S12 PolarHBondContact O-OG 3.44Å; V10-S12 PolarHBondContact O-N 3.49Å; S12-A14 PolarHBondContact O-N 2.97Å; S12-N15 WeakPolarHBondContact O-CB 3.45Å; S12-N15 PolarHBondContact O-N 3.38Å; S12-N15 VanDerWaalsContact O-N 3.11Å; S12-S35 VanDerWaalsContact CA-OG 3.31Å; S12-S35 WeakPolarHBondContact CA-OG 3.43Å; S12-S35 WeakPolarHBondContact CB-OG 3.3Å
13Q96.6Very high94Very high130 Ų13060.9 Ų60.961%0.60732%0.318SS*.THydrogen-bonded Turntrans-66.4-25.4179.9-64.3178.135.500112.5Q9 V10 L11 N15Q9-Q13 WeakPolarHBondContact O-CG 3.27Å; V10-Q13 WeakPolarHBondContact O-CB 3.31Å; V10-Q13 PolarHBondContact O-N 2.89Å; V10-Q13 VanDerWaalsContact O-N 3.16Å; L11-Q13 PolarHBondContact O-N 3.04Å; Q13-N15 VanDerWaalsContact C-N 3.34Å
14A96.8Very high94.6Very high7 Ų751.4 Ų51.46%0.05828%0.283CS..THydrogen-bonded Turntrans-75.2-23.2175.500000113L11 S12 T16 V19 M93 K107 L111L11-A14 PolarHBondContact O-N 2.7Å; S12-A14 PolarHBondContact O-N 2.97Å; A14-T16 PolarHBondContact O-N 3.45Å; A14-V19 WeakPolarHBondContact O-CB 3.31Å; A14-M93 HydrophobicContact CB-SD 3.82Å; A14-K107 PolarHBondContact O-NZ 2.93Å; A14-L111 HydrophobicContact CB-CD1 3.69Å; A14-L111 HydrophobicContact CB-CG 4.4Å
15N96.3Very high95.2Very high25 Ų2546.7 Ų46.713%0.13425%0.252CS..  trans-80.158.1-173.4-61.5-20000112.8S12 Q13 V19 S21 T22 S35S12-N15 WeakPolarHBondContact O-CB 3.45Å; S12-N15 PolarHBondContact O-N 3.38Å; S12-N15 VanDerWaalsContact O-N 3.11Å; Q13-N15 VanDerWaalsContact C-N 3.34Å; N15-V19 CarbonylContact C-O 3.51Å; N15-V19 WeakPolarHBondContact CA-O 3.46Å; N15-S21 VanDerWaalsContact OD1-C 3.3Å; N15-S21 WeakPolarHBondContact OD1-CA 3.31Å; N15-T22 PolarHBondContact OD1-N 2.84Å; N15-T22 PolarHBondContact OD1-OG1 3.15Å; N15-S35 PolarHBondContact ND2-O 2.98Å; N15-S35 PolarHBondContact ND2-OG 2.88Å
16T95.2Very high95.5Very high64 Ų6439.4 Ų39.439%0.39322%0.222SC..  trans-131.1156.8179.458.10000110.2A14 G18 V19 K107A14-T16 PolarHBondContact O-N 3.45Å; T16-G18 VanDerWaalsContact C-N 3.34Å; T16-G18 PolarHBondContact O-N 3.37Å; T16-V19 PolarHBondContact O-N 3.14Å; T16-K107 PolarHBondContact O-NZ 3.2Å; T16-K107 PolarHBondContact OG1-NZ 3.4Å
17N94.8Very high95.7Very high150 Ų15040.3 Ų40.380%0.80222%0.221SC*.THydrogen-bonded Turntrans53.546.3175.2-59.4-34.3000113.6V99N17-V99 WeakPolarHBondContact O-CG2 3.35Å
18G95.1Very high95.8Very high24 Ų2446.1 Ų46.125%0.24725%0.247CC..THydrogen-bonded Turntrans93-8.9174.600000115.7T16 Q20 A95 K96T16-G18 VanDerWaalsContact C-N 3.34Å; T16-G18 PolarHBondContact O-N 3.37Å; G18-Q20 PolarHBondContact O-N 2.95Å; G18-A95 WeakPolarHBondContact O-CA 3.37Å; G18-K96 PolarHBondContact O-N 3.43Å
19V96.8Very high95.8Very high8 Ų844 Ų445%0.04824%0.236CC..EExtended strand (participates in β ladder)trans-72.1123.4164.7-177.70000108.2A14 N15 T16 A95 V99 L104 K107A14-V19 WeakPolarHBondContact O-CB 3.31Å; N15-V19 CarbonylContact C-O 3.51Å; N15-V19 WeakPolarHBondContact CA-O 3.46Å; T16-V19 PolarHBondContact O-N 3.14Å; V19-A95 HydrophobicContact CB-CB 4.35Å; V19-A95 HydrophobicContact CG2-CB 4.13Å; V19-V99 HydrophobicContact CG2-CG1 4.37Å; V19-L104 HydrophobicContact CG2-CD1 4.18Å; V19-K107 HydrophobicContact CG2-CD 4Å
20Q95.2Very high95.9Very high70 Ų7040.9 Ų40.933%0.32723%0.229SC..EExtended strand (participates in β ladder)trans-95-39-170.9-68178.7-58.800112G18 G36 Y37 Y94 K96G18-Q20 PolarHBondContact O-N 2.95Å; Q20-G36 WeakPolarHBondContact O-CA 3.48Å; Q20-Y37 PolarHBondContact O-N 3.47Å; Q20-Y94 HydrophobicContact CB-CD2 4.06Å; Q20-Y94 HydrophobicContact CB-CE2 3.79Å; Q20-Y94 PolarHBondContact N-O 2.81Å; Q20-K96 HydrophobicContact CG-CG 4.37Å
21S96.3Very high95.8Very high0 Ų042.4 Ų42.40%024%0.236CC..EExtended strand (participates in β ladder)trans-153147.2-169.2-73.40000112.6N15 Y34 S35 G36 M93 Y94N15-S21 VanDerWaalsContact OD1-C 3.3Å; N15-S21 WeakPolarHBondContact OD1-CA 3.31Å; S21-Y34 PolarHBondContact OG-OH 3.01Å; S21-S35 WeakPolarHBondContact CA-O 3.3Å; S21-G36 WeakPolarHBondContact OG-CA 3.36Å; S21-M93 WeakPolarHBondContact O-CA 3.35Å; S21-Y94 WeakPolarHBondContact CB-OH 3.49Å; S21-Y94 PolarHBondContact N-O 3.2Å; S21-Y94 PolarHBondContact O-N 2.99Å; S21-Y94 PolarHBondContact OG-OH 2.98Å
22T97.8Very high95.6Very high0 Ų047 Ų470%026%0.26CS..EExtended strand (participates in β ladder)trans-134.7124.7177.1-58.50000108.7L11 N15 S35 L91 C92 M93 L111L11-T22 HydrophobicContact CB-CG2 3.94Å; L11-T22 HydrophobicContact CD2-CG2 3.8Å; L11-T22 HydrophobicContact CG-CG2 4.33Å; N15-T22 PolarHBondContact OD1-N 2.84Å; N15-T22 PolarHBondContact OD1-OG1 3.15Å; T22-S35 PolarHBondContact N-O 3.48Å; T22-S35 PolarHBondContact O-N 3.13Å; T22-L91 HydrophobicContact CG2-CD1 3.83Å; T22-C92 CarbonylContact C-O 3.4Å; T22-C92 WeakPolarHBondContact CA-O 3.3Å; T22-M93 HydrophobicContact CG2-CG 3.74Å; T22-M93 HydrophobicContact CG2-SD 4.22Å; T22-M93 WeakPolarHBondContact OG1-CG 3.48Å; T22-L111 HydrophobicContact CG2-CD1 3.74Å
23L96.9Very high95.4Very high0 Ų045.3 Ų45.30%025%0.249CC..EExtended strand (participates in β ladder)trans-123.2136.8-172.9-58.183.2000109.3L25 L31 Y34 A42 T45 A46 L91 C92 Y94L23-L25 HydrophobicContact CB-CD2 4.15Å; L23-L31 HydrophobicContact CB-CD1 4.05Å; L23-L31 HydrophobicContact CD2-CD1 4.02Å; L23-L31 HydrophobicContact CG-CD1 4.35Å; L23-Y34 HydrophobicContact CD1-CD2 4.4Å; L23-Y34 HydrophobicContact CG-CD2 3.85Å; L23-Y34 HydrophobicContact CG-CE2 4.4Å; L23-A42 HydrophobicContact CD2-CB 4Å; L23-A42 VanDerWaalsContact CD2-O 3.26Å; L23-A42 WeakPolarHBondContact CD2-O 3.17Å; L23-T45 HydrophobicContact CD1-CG2 4.46Å; L23-T45 HydrophobicContact CD2-CG2 4.04Å; L23-A46 HydrophobicContact CD2-CB 4.41Å; L23-L91 WeakPolarHBondContact O-CA 3.4Å; L23-C92 HydrophobicContact CB-CB 4.3Å; L23-C92 PolarHBondContact N-O 3.4Å; L23-C92 PolarHBondContact O-N 2.78Å; L23-Y94 HydrophobicContact CD1-CD1 3.98Å; L23-Y94 HydrophobicContact CD1-CE1 3.92Å
24L96.8Very high95.3Very high2 Ų242 Ų421%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-111.8125.3166.6-169.674.2000108.2L7 L11 L32 A33 V86 L89 L91 L119L7-L24 HydrophobicContact CD1-CD2 4.39Å; L7-L24 HydrophobicContact CD2-CD2 3.79Å; L11-L24 HydrophobicContact CD1-CB 4.23Å; L24-L32 WeakPolarHBondContact O-CB 3.25Å; L24-L32 PolarHBondContact O-N 3.42Å; L24-A33 HydrophobicContact CB-CB 4.25Å; L24-A33 PolarHBondContact N-O 2.82Å; L24-A33 PolarHBondContact O-N 2.85Å; L24-A33 VanDerWaalsContact O-N 3.14Å; L24-V86 HydrophobicContact CD1-CG1 3.55Å; L24-L89 HydrophobicContact CD1-CB 4.22Å; L24-L89 HydrophobicContact CD1-CD1 4.33Å; L24-L89 HydrophobicContact CD2-CD1 3.92Å; L24-L89 HydrophobicContact CG-CD1 4.13Å; L24-L91 HydrophobicContact CD1-CD1 4.48Å; L24-L119 HydrophobicContact CD1-CD1 4.09Å; L24-L119 HydrophobicContact CD2-CD1 3.97Å; L24-L119 HydrophobicContact CD2-CD2 4.19Å
25L96.3Very high95.2Very high0 Ų042.4 Ų42.40%023%0.233CC..EExtended strand (participates in β ladder)trans-138.3159.2-176.754.6128.1000111.3L23 S30 A46 L89 L90 C92L23-L25 HydrophobicContact CB-CD2 4.15Å; L25-S30 VanDerWaalsContact CA-O 3.24Å; L25-S30 WeakPolarHBondContact CA-O 3.22Å; L25-S30 WeakPolarHBondContact CB-O 3.28Å; L25-A46 HydrophobicContact CB-CB 4.02Å; L25-A46 HydrophobicContact CD1-CB 4.45Å; L25-A46 HydrophobicContact CD2-CB 4.01Å; L25-A46 HydrophobicContact CG-CB 4.37Å; L25-L89 WeakPolarHBondContact O-CB 3.49Å; L25-L90 HydrophobicContact CD1-CB 3.89Å; L25-L90 HydrophobicContact CD1-CD1 3.98Å; L25-L90 HydrophobicContact CG-CB 3.9Å; L25-L90 PolarHBondContact N-O 3.49Å; L25-L90 PolarHBondContact O-N 3.21Å; L25-C92 HydrophobicContact CD2-CB 3.86Å
26N95.1Very high94.9Very high35 Ų3542 Ų4219%0.18724%0.235CC..  trans-84.6174.2170.473.4-0.5000111.6E28 G29 S30 L32 L89N26-E28 PolarHBondContact ND2-OE2 2.9Å; N26-E28 PolarHBondContact O-N 3.43Å; N26-E28 PolarHBondContact OD1-N 3.11Å; N26-E28 PolarHBondContact OD1-OE2 3.32Å; N26-G29 PolarHBondContact O-N 3.32Å; N26-G29 PolarHBondContact OD1-N 3.24Å; N26-G29 VanDerWaalsContact OD1-N 3.11Å; N26-S30 PolarHBondContact N-O 3.1Å; N26-S30 WeakPolarHBondContact OD1-CA 3.43Å; N26-S30 VanDerWaalsContact OD1-CB 3.3Å; N26-S30 WeakPolarHBondContact OD1-CB 3.44Å; N26-S30 PolarHBondContact OD1-N 3.46Å; N26-S30 PolarHBondContact OD1-O 2.98Å; N26-L32 HydrophobicContact CB-CD1 4.39Å; N26-L89 HydrophobicContact CB-CD2 4Å
27N94.3Very high93.7Very high65 Ų6548.3 Ų48.335%0.34825%0.253SS..THydrogen-bonded Turntrans-67-18.6-176.5-58.7-45.6000112.9G29 N88N27-G29 VanDerWaalsContact C-N 3.32Å; N27-N88 PolarHBondContact ND2-O 3.44Å
28E94.7Very high92.4Very high138 Ų13843.6 Ų43.665%0.64524%0.24SC*.THydrogen-bonded Turntrans-86-1.9175.9-57.971.1-148.100113N26N26-E28 PolarHBondContact ND2-OE2 2.9Å; N26-E28 PolarHBondContact O-N 3.43Å; N26-E28 PolarHBondContact OD1-N 3.11Å; N26-E28 PolarHBondContact OD1-OE2 3.32Å
29G93.9Very high90.9Very high9 Ų951.1 Ų51.19%0.09328%0.275CS..  trans84.79.2179.600000115.3N26 N27 L31 S50N26-G29 PolarHBondContact O-N 3.32Å; N26-G29 PolarHBondContact OD1-N 3.24Å; N26-G29 VanDerWaalsContact OD1-N 3.11Å; N27-G29 VanDerWaalsContact C-N 3.32Å; G29-L31 PolarHBondContact O-N 2.91Å; G29-S50 VanDerWaalsContact CA-CB 3.48Å; G29-S50 WeakPolarHBondContact CA-OG 3.24Å; G29-S50 PolarHBondContact N-OG 3.07Å
30S94.8Very high89.6Confident65 Ų6554.6 Ų54.646%0.45530%0.296SS..  trans-72.7126.4171-59.10000110.4L25 N26 L32L25-S30 VanDerWaalsContact CA-O 3.24Å; L25-S30 WeakPolarHBondContact CA-O 3.22Å; L25-S30 WeakPolarHBondContact CB-O 3.28Å; N26-S30 PolarHBondContact N-O 3.1Å; N26-S30 WeakPolarHBondContact OD1-CA 3.43Å; N26-S30 VanDerWaalsContact OD1-CB 3.3Å; N26-S30 WeakPolarHBondContact OD1-CB 3.44Å; N26-S30 PolarHBondContact OD1-N 3.46Å; N26-S30 PolarHBondContact OD1-O 2.98Å; S30-L32 PolarHBondContact O-N 3Å
31L94.5Very high89.3Confident53 Ų5354.5 Ų54.528%0.27730%0.298SS..EExtended strand (participates in β ladder)trans-73.5124177.7-173.968.3000110.7L23 G29 A42 R43 A46L23-L31 HydrophobicContact CB-CD1 4.05Å; L23-L31 HydrophobicContact CD2-CD1 4.02Å; L23-L31 HydrophobicContact CG-CD1 4.35Å; G29-L31 PolarHBondContact O-N 2.91Å; L31-A42 HydrophobicContact CD2-CB 3.77Å; L31-R43 HydrophobicContact CB-CG 4.31Å; L31-R43 HydrophobicContact CD2-CG 4.04Å; L31-A46 HydrophobicContact CB-CB 4.29Å; L31-A46 HydrophobicContact CD1-CB 4.15Å
32L92.8Very high89Confident95 Ų9555 Ų5550%0.49730%0.301SS..EExtended strand (participates in β ladder)trans-100.2-42.5179.3-61.7176.2000112L24 N26 S30 L89L24-L32 WeakPolarHBondContact O-CB 3.25Å; L24-L32 PolarHBondContact O-N 3.42Å; N26-L32 HydrophobicContact CB-CD1 4.39Å; S30-L32 PolarHBondContact O-N 3Å; L32-L89 HydrophobicContact CD1-CD1 3.59Å; L32-L89 HydrophobicContact CD1-CD2 3.46Å; L32-L89 VanDerWaalsContact CD1-CD2 3.46Å; L32-L89 HydrophobicContact CD1-CG 4.13Å
33A93.7Very high88.8Confident11 Ų1162.9 Ų62.99%0.09133%0.331CS..EExtended strand (participates in β ladder)trans-151.4153.1175.900000110.8L7 L11 L24L7-A33 HydrophobicContact CD2-CB 3.45Å; L7-A33 VanDerWaalsContact CD2-CB 3.45Å; L7-A33 HydrophobicContact CG-CB 3.96Å; L11-A33 HydrophobicContact CD1-CB 3.8Å; L24-A33 HydrophobicContact CB-CB 4.25Å; L24-A33 PolarHBondContact N-O 2.82Å; L24-A33 PolarHBondContact O-N 2.85Å; L24-A33 VanDerWaalsContact O-N 3.14Å
34Y93.9Very high88.7Confident61 Ų6166.7 Ų66.724%0.23935%0.354CS..EExtended strand (participates in β ladder)trans-149.2142.8-177.7164.7-114.5000110.2T8 S21 L23 G36 A42T8-Y34 WeakPolarHBondContact CG2-O 3.37Å; S21-Y34 PolarHBondContact OG-OH 3.01Å; L23-Y34 HydrophobicContact CD1-CD2 4.4Å; L23-Y34 HydrophobicContact CG-CD2 3.85Å; L23-Y34 HydrophobicContact CG-CE2 4.4Å; Y34-G36 WeakPolarHBondContact OH-CA 3.4Å; Y34-G36 PolarHBondContact OH-O 3.25Å; Y34-A42 HydrophobicContact CD1-CB 4.09Å; Y34-A42 HydrophobicContact CD2-CB 3.9Å; Y34-A42 HydrophobicContact CE1-CB 4.24Å; Y34-A42 HydrophobicContact CE2-CB 4.01Å; Y34-A42 HydrophobicContact CG-CB 3.89Å
35S94.8Very high88.7Confident15 Ų1567.7 Ų67.711%0.10536%0.361CS..EExtended strand (participates in β ladder)trans-137134.5159.6-177.40000109S12 N15 S21 T22S12-S35 VanDerWaalsContact CA-OG 3.31Å; S12-S35 WeakPolarHBondContact CA-OG 3.43Å; S12-S35 WeakPolarHBondContact CB-OG 3.3Å; N15-S35 PolarHBondContact ND2-O 2.98Å; N15-S35 PolarHBondContact ND2-OG 2.88Å; S21-S35 WeakPolarHBondContact CA-O 3.3Å; T22-S35 PolarHBondContact N-O 3.48Å; T22-S35 PolarHBondContact O-N 3.13Å
36G88.8Confident88.7Confident17 Ų1767.7 Ų67.718%0.17536%0.361CS..EExtended strand (participates in β ladder)trans167169.1175.700000112.4Q20 S21 Y34Q20-G36 WeakPolarHBondContact O-CA 3.48Å; S21-G36 WeakPolarHBondContact OG-CA 3.36Å; Y34-G36 WeakPolarHBondContact OH-CA 3.4Å; Y34-G36 PolarHBondContact OH-O 3.25Å
37Y71.3Confident88.8Confident197 Ų19767.9 Ų67.977%0.77337%0.367SS*.  trans-123124.7177.6-57-84.4000108.6Q20Q20-Y37 PolarHBondContact O-N 3.47Å
38G67.1Low88.9Confident51 Ų5169.3 Ų69.353%0.52637%0.374SS..SBendtrans163.5160.417700000112.7T40G38-T40 PolarHBondContact O-N 3.31Å
39D62.4Low89Confident182 Ų18263 Ų6397%0.97335%0.345SS*.SBendtrans-79.1-3.5179.2-70.3-29.6000113.2
40T71.5Confident89.2Confident80 Ų8062.7 Ų62.749%0.49134%0.342SS..SBendtrans-78.5127-179.1-41.20000110.7G38 A42G38-T40 PolarHBondContact O-N 3.31Å; T40-A42 PolarHBondContact O-N 3.46Å
41D86.8Confident89.4Confident69 Ų6965.1 Ų65.137%0.36935%0.35SS..  trans-66.1109.3175.6-170.8-27.6000109.9R43 V44 T45D41-R43 PolarHBondContact O-N 2.9Å; D41-R43 VanDerWaalsContact O-N 3.08Å; D41-R43 VanDerWaalsContact OD1-CB 3.3Å; D41-R43 WeakPolarHBondContact OD1-CB 3.48Å; D41-R43 PolarHBondContact OD1-N 3.22Å; D41-R43 IonicContact OD1-NE 3.2Å; D41-R43 PolarHBondContact OD1-NE 2.8Å; D41-R43 IonicContact OD1-NH2 3.89Å; D41-R43 IonicContact OD2-CZ 3.62Å; D41-R43 IonicContact OD2-NE 3.5Å; D41-R43 PolarHBondContact OD2-NE 2.95Å; D41-R43 IonicContact OD2-NH2 2.87Å; D41-R43 PolarHBondContact OD2-NH2 2.93Å; D41-V44 HydrophobicContact CB-CB 4.34Å; D41-V44 HydrophobicContact CB-CG2 3.93Å; D41-V44 WeakPolarHBondContact O-CB 3.23Å; D41-V44 PolarHBondContact O-N 2.99Å; D41-T45 PolarHBondContact O-N 2.82Å; D41-T45 VanDerWaalsContact O-N 3.13Å; D41-T45 PolarHBondContact O-OG1 3.16Å
42A91.6Very high89.6Confident9 Ų964.6 Ų64.67%0.07435%0.347CS..Hα-helixtrans-55.9-27.4-178.900000113.2L23 L31 Y34 T40 A46L23-A42 HydrophobicContact CD2-CB 4Å; L23-A42 VanDerWaalsContact CD2-O 3.26Å; L23-A42 WeakPolarHBondContact CD2-O 3.17Å; L31-A42 HydrophobicContact CD2-CB 3.77Å; Y34-A42 HydrophobicContact CD1-CB 4.09Å; Y34-A42 HydrophobicContact CD2-CB 3.9Å; Y34-A42 HydrophobicContact CE1-CB 4.24Å; Y34-A42 HydrophobicContact CE2-CB 4.01Å; Y34-A42 HydrophobicContact CG-CB 3.89Å; T40-A42 PolarHBondContact O-N 3.46Å; A42-A46 WeakPolarHBondContact O-CB 3.29Å; A42-A46 PolarHBondContact O-N 3.29Å
43R93.4Very high89.8Confident166 Ų16660.4 Ų60.463%0.62632%0.324SS*.Hα-helixtrans-70.6-38176.6-62.2173.5-67.3-179.52.3111.5L31 D41 A46 A47L31-R43 HydrophobicContact CB-CG 4.31Å; L31-R43 HydrophobicContact CD2-CG 4.04Å; D41-R43 PolarHBondContact O-N 2.9Å; D41-R43 VanDerWaalsContact O-N 3.08Å; D41-R43 VanDerWaalsContact OD1-CB 3.3Å; D41-R43 WeakPolarHBondContact OD1-CB 3.48Å; D41-R43 PolarHBondContact OD1-N 3.22Å; D41-R43 IonicContact OD1-NE 3.2Å; D41-R43 PolarHBondContact OD1-NE 2.8Å; D41-R43 IonicContact OD1-NH2 3.89Å; D41-R43 IonicContact OD2-CZ 3.62Å; D41-R43 IonicContact OD2-NE 3.5Å; D41-R43 PolarHBondContact OD2-NE 2.95Å; D41-R43 IonicContact OD2-NH2 2.87Å; D41-R43 PolarHBondContact OD2-NH2 2.93Å; R43-A46 PolarHBondContact O-N 2.99Å; R43-A47 PolarHBondContact O-N 2.85Å
44V95.3Very high89.9Confident80 Ų8062.2 Ų62.249%0.48534%0.339SS..Hα-helixtrans-66.9-44.7175.5178.60000109.7D41 A46 A47 I48D41-V44 HydrophobicContact CB-CB 4.34Å; D41-V44 HydrophobicContact CB-CG2 3.93Å; D41-V44 WeakPolarHBondContact O-CB 3.23Å; D41-V44 PolarHBondContact O-N 2.99Å; V44-A46 VanDerWaalsContact C-N 3.31Å; V44-A46 PolarHBondContact O-N 3.08Å; V44-A47 PolarHBondContact O-N 2.83Å; V44-I48 HydrophobicContact CG1-CD1 3.89Å; V44-I48 WeakPolarHBondContact O-CG1 3.31Å; V44-I48 PolarHBondContact O-N 3.09Å
45T94.9Very high90Very high24 Ų2461.5 Ų61.515%0.14735%0.346CS..Hα-helixtrans-59.1-42.2175.2-53.80000112L23 D41 I48 A49 Y94L23-T45 HydrophobicContact CD1-CG2 4.46Å; L23-T45 HydrophobicContact CD2-CG2 4.04Å; D41-T45 PolarHBondContact O-N 2.82Å; D41-T45 VanDerWaalsContact O-N 3.13Å; D41-T45 PolarHBondContact O-OG1 3.16Å; T45-I48 PolarHBondContact O-N 3.47Å; T45-A49 WeakPolarHBondContact O-CB 3.24Å; T45-A49 PolarHBondContact O-N 2.86Å; T45-Y94 HydrophobicContact CG2-CD1 4.11Å; T45-Y94 HydrophobicContact CG2-CE1 4.12Å
46A96.3Very high90Very high0 Ų067.9 Ų67.90%037%0.369CS..Hα-helixtrans-62-46.2176.900000112.4L23 L25 L31 A42 R43 V44 I48 A49 S50L23-A46 HydrophobicContact CD2-CB 4.41Å; L25-A46 HydrophobicContact CB-CB 4.02Å; L25-A46 HydrophobicContact CD1-CB 4.45Å; L25-A46 HydrophobicContact CD2-CB 4.01Å; L25-A46 HydrophobicContact CG-CB 4.37Å; L31-A46 HydrophobicContact CB-CB 4.29Å; L31-A46 HydrophobicContact CD1-CB 4.15Å; A42-A46 WeakPolarHBondContact O-CB 3.29Å; A42-A46 PolarHBondContact O-N 3.29Å; R43-A46 PolarHBondContact O-N 2.99Å; V44-A46 VanDerWaalsContact C-N 3.31Å; V44-A46 PolarHBondContact O-N 3.08Å; A46-I48 VanDerWaalsContact C-N 3.33Å; A46-I48 PolarHBondContact O-N 3.32Å; A46-A49 PolarHBondContact O-N 3.06Å; A46-S50 PolarHBondContact O-N 3.22Å; A46-S50 PolarHBondContact O-OG 3.47Å
47A97.1Very high90.2Very high39 Ų3969 Ų6932%0.32237%0.37SS..Hα-helixtrans-63.5-37.5177.900000112.8R43 V44 S50 N51R43-A47 PolarHBondContact O-N 2.85Å; V44-A47 PolarHBondContact O-N 2.83Å; A47-S50 PolarHBondContact O-OG 3.14Å; A47-N51 WeakPolarHBondContact O-CB 3.48Å; A47-N51 VanDerWaalsContact O-CG 3.23Å; A47-N51 PolarHBondContact O-N 2.91Å; A47-N51 PolarHBondContact O-ND2 3.31Å; A47-N51 VanDerWaalsContact O-ND2 3.11Å
48I97.4Very high91.1Very high95 Ų9566.5 Ų66.549%0.48736%0.364SS..Hα-helixtrans-66.8-46.5175-66.8167.5000110.1V44 T45 A46 S50 N51 I52V44-I48 HydrophobicContact CG1-CD1 3.89Å; V44-I48 WeakPolarHBondContact O-CG1 3.31Å; V44-I48 PolarHBondContact O-N 3.09Å; T45-I48 PolarHBondContact O-N 3.47Å; A46-I48 VanDerWaalsContact C-N 3.33Å; A46-I48 PolarHBondContact O-N 3.32Å; I48-S50 PolarHBondContact O-N 3.4Å; I48-N51 PolarHBondContact O-N 2.86Å; I48-I52 HydrophobicContact CG2-CD1 3.75Å; I48-I52 HydrophobicContact CG2-CG1 4.43Å; I48-I52 WeakPolarHBondContact O-CG1 3.49Å; I48-I52 PolarHBondContact O-N 2.83Å
49A97.6Very high92.2Very high5 Ų568.7 Ų68.74%0.04136%0.363CS..Hα-helixtrans-61.2-43.1-179.400000112.4T45 A46 I52 W53 I83 C92T45-A49 WeakPolarHBondContact O-CB 3.24Å; T45-A49 PolarHBondContact O-N 2.86Å; A46-A49 PolarHBondContact O-N 3.06Å; A49-I52 PolarHBondContact O-N 2.89Å; A49-W53 WeakPolarHBondContact O-CB 3.47Å; A49-W53 PolarHBondContact O-N 3.48Å; A49-I83 HydrophobicContact CB-CD1 3.86Å; A49-I83 HydrophobicContact CB-CG1 4.4Å; A49-C92 HydrophobicContact CB-CB 4.16Å
50S97.8Very high93.3Very high3 Ų360.8 Ų60.82%0.02133%0.325CS..Hα-helixtrans-65.2-41.9177.564.20000112.2G29 A46 A47 I48 I52 W53 A54G29-S50 VanDerWaalsContact CA-CB 3.48Å; G29-S50 WeakPolarHBondContact CA-OG 3.24Å; G29-S50 PolarHBondContact N-OG 3.07Å; A46-S50 PolarHBondContact O-N 3.22Å; A46-S50 PolarHBondContact O-OG 3.47Å; A47-S50 PolarHBondContact O-OG 3.14Å; I48-S50 PolarHBondContact O-N 3.4Å; S50-I52 PolarHBondContact O-N 2.95Å; S50-W53 PolarHBondContact O-N 2.78Å; S50-A54 VanDerWaalsContact O-CB 3.3Å; S50-A54 WeakPolarHBondContact O-CB 3.23Å; S50-A54 PolarHBondContact O-N 3.24Å
51N98.1Very high93.9Very high116 Ų11660.5 Ų60.562%0.6232%0.318SS*.Hα-helixtrans-63.1-42.2177.7-75.6-26000112A47 I48 A55A47-N51 WeakPolarHBondContact O-CB 3.48Å; A47-N51 VanDerWaalsContact O-CG 3.23Å; A47-N51 PolarHBondContact O-N 2.91Å; A47-N51 PolarHBondContact O-ND2 3.31Å; A47-N51 VanDerWaalsContact O-ND2 3.11Å; I48-N51 PolarHBondContact O-N 2.86Å; N51-A55 WeakPolarHBondContact O-CB 3.46Å; N51-A55 PolarHBondContact O-N 3.18Å; N51-A55 VanDerWaalsContact O-N 3.08Å
52I98Very high93.6Very high42 Ų4264.5 Ų64.522%0.21533%0.334CS..Hα-helixtrans-63.6-48.8175.9-67.5170000110.1I48 A49 S50 A54 A55 Y56 I72 M74I48-I52 HydrophobicContact CG2-CD1 3.75Å; I48-I52 HydrophobicContact CG2-CG1 4.43Å; I48-I52 WeakPolarHBondContact O-CG1 3.49Å; I48-I52 PolarHBondContact O-N 2.83Å; A49-I52 PolarHBondContact O-N 2.89Å; S50-I52 PolarHBondContact O-N 2.95Å; I52-A54 PolarHBondContact O-N 3.03Å; I52-A55 PolarHBondContact O-N 2.84Å; I52-Y56 HydrophobicContact CG2-CD2 4.02Å; I52-Y56 HydrophobicContact CG2-CE2 4.12Å; I52-Y56 WeakPolarHBondContact O-CD2 3.47Å; I52-Y56 PolarHBondContact O-N 2.88Å; I52-I72 HydrophobicContact CG2-CD1 4.14Å; I52-M74 HydrophobicContact CD1-CE 3.79Å; I52-M74 HydrophobicContact CD1-SD 3.87Å; I52-M74 HydrophobicContact CG2-SD 4.33Å
53W97.6Very high93.2Very high6 Ų667.2 Ų67.22%0.02336%0.357CS..Hα-helixtrans-56.3-52.2177.4-179-83.6000111.5A49 S50 A55 Y56 D57 L69 I72 I83 R85 L90A49-W53 WeakPolarHBondContact O-CB 3.47Å; A49-W53 PolarHBondContact O-N 3.48Å; S50-W53 PolarHBondContact O-N 2.78Å; W53-A55 VanDerWaalsContact C-N 3.28Å; W53-A55 PolarHBondContact O-N 3.11Å; W53-Y56 PolarHBondContact O-N 3.37Å; W53-Y56 VanDerWaalsContact O-N 3.16Å; W53-D57 VanDerWaalsContact O-CB 3.31Å; W53-D57 WeakPolarHBondContact O-CB 3.12Å; W53-D57 PolarHBondContact O-N 2.9Å; W53-L69 HydrophobicContact CD2-CD2 3.66Å; W53-L69 HydrophobicContact CE3-CD2 3.69Å; W53-L69 HydrophobicContact CE3-CG 4.32Å; W53-L69 HydrophobicContact CG-CD2 4.27Å; W53-L69 HydrophobicContact CH2-CB 4.37Å; W53-L69 HydrophobicContact CH2-CD2 4.01Å; W53-L69 HydrophobicContact CH2-CG 3.8Å; W53-L69 WeakPolarHBondContact CH2-O 3.47Å; W53-L69 HydrophobicContact CZ2-CB 4.14Å; W53-L69 HydrophobicContact CZ2-CD2 3.95Å; W53-L69 HydrophobicContact CZ2-CG 3.97Å; W53-L69 WeakPolarHBondContact CZ2-O 3.49Å; W53-L69 HydrophobicContact CZ3-CD2 3.87Å; W53-L69 HydrophobicContact CZ3-CG 3.98Å; W53-I72 HydrophobicContact CE3-CD1 4.01Å; W53-I72 HydrophobicContact CE3-CG1 4.33Å; W53-I83 HydrophobicContact CD2-CG2 4.41Å; W53-I83 HydrophobicContact CE3-CB 4.22Å; W53-I83 HydrophobicContact CE3-CG2 3.62Å; W53-I83 HydrophobicContact CZ3-CG2 4.27Å; W53-R85 HydrophobicContact CH2-CB 4.15Å; W53-R85 HydrophobicContact CZ2-CB 4.09Å; W53-L90 HydrophobicContact CB-CD1 3.89Å; W53-L90 HydrophobicContact CD2-CD1 4.43Å; W53-L90 HydrophobicContact CD2-CD2 3.55Å; W53-L90 HydrophobicContact CE3-CD2 4.07Å; W53-L90 HydrophobicContact CG-CD1 3.82Å; W53-L90 HydrophobicContact CG-CD2 3.79Å; W53-L90 HydrophobicContact CG-CG 4.48Å; W53-L90 HydrophobicContact CZ2-CD2 4.1Å
54A96.3Very high92.5Very high49 Ų4966.1 Ų66.141%0.40536%0.357SS..Hα-helixtrans-59.9-37.2-177.900000112.7S50 I52 K58S50-A54 VanDerWaalsContact O-CB 3.3Å; S50-A54 WeakPolarHBondContact O-CB 3.23Å; S50-A54 PolarHBondContact O-N 3.24Å; I52-A54 PolarHBondContact O-N 3.03Å; A54-K58 WeakPolarHBondContact O-CB 3.48Å; A54-K58 PolarHBondContact O-N 2.97Å
55A95.8Very high91.6Very high46 Ų4669.7 Ų69.738%0.3837%0.373SS..Hα-helixtrans-64.3-46.4176.300000111.9N51 I52 W53 N59N51-A55 WeakPolarHBondContact O-CB 3.46Å; N51-A55 PolarHBondContact O-N 3.18Å; N51-A55 VanDerWaalsContact O-N 3.08Å; I52-A55 PolarHBondContact O-N 2.84Å; W53-A55 VanDerWaalsContact C-N 3.28Å; W53-A55 PolarHBondContact O-N 3.11Å; A55-N59 VanDerWaalsContact O-CB 3.3Å; A55-N59 WeakPolarHBondContact O-CB 3.48Å; A55-N59 PolarHBondContact O-N 3.34Å; A55-N59 PolarHBondContact O-ND2 3.04Å
56Y94.8Very high90.5Very high149 Ų14975.4 Ų75.458%0.58440%0.398SS*.Hα-helixtrans-71.3-40178.5-83.2-78.5000112.6I52 W53 G60 I72I52-Y56 HydrophobicContact CG2-CD2 4.02Å; I52-Y56 HydrophobicContact CG2-CE2 4.12Å; I52-Y56 WeakPolarHBondContact O-CD2 3.47Å; I52-Y56 PolarHBondContact O-N 2.88Å; W53-Y56 PolarHBondContact O-N 3.37Å; W53-Y56 VanDerWaalsContact O-N 3.16Å; Y56-G60 WeakPolarHBondContact O-CA 3.38Å; Y56-G60 PolarHBondContact O-N 3.33Å; Y56-I72 HydrophobicContact CD2-CD1 3.92Å; Y56-I72 HydrophobicContact CG-CD1 4.23Å
57D92.5Very high89.9Confident40 Ų4080.2 Ų80.221%0.21442%0.424CS..Hα-helixtrans-64.5-50.7179.9-165.742.6000110.5W53 N59 G60 H61 L69W53-D57 VanDerWaalsContact O-CB 3.31Å; W53-D57 WeakPolarHBondContact O-CB 3.12Å; W53-D57 PolarHBondContact O-N 2.9Å; D57-N59 PolarHBondContact O-N 3.18Å; D57-G60 PolarHBondContact O-N 3.45Å; D57-H61 WeakPolarHBondContact O-CB 3.46Å; D57-H61 PolarHBondContact O-N 3.02Å; D57-L69 HydrophobicContact CB-CB 4.29Å; D57-L69 HydrophobicContact CB-CD2 4.16Å; D57-L69 WeakPolarHBondContact OD1-CB 3.44Å
58K90.8Very high89.4Confident146 Ų14682.7 Ų82.764%0.63543%0.432SS*.Hα-helixtrans-61.5-47.2179.4-177.3-179.9178-178.70112.8A54A54-K58 WeakPolarHBondContact O-CB 3.48Å; A54-K58 PolarHBondContact O-N 2.97Å
59N89.4Confident89.3Confident97 Ų9780.3 Ų80.352%0.51942%0.42SS..Hα-helixtrans-75-34.8-177.4-64.9-27.4000111.4A55 D57 Q62 A63A55-N59 VanDerWaalsContact O-CB 3.3Å; A55-N59 WeakPolarHBondContact O-CB 3.48Å; A55-N59 PolarHBondContact O-N 3.34Å; A55-N59 PolarHBondContact O-ND2 3.04Å; D57-N59 PolarHBondContact O-N 3.18Å; N59-Q62 PolarHBondContact O-N 3.48Å; N59-A63 PolarHBondContact O-N 3.33Å
60G86.6Confident89.1Confident16 Ų1687.3 Ų87.317%0.16545%0.449CS..Hα-helixtrans-64.5-42.7175.200000111.9Y56 D57 Q62 A63 F64Y56-G60 WeakPolarHBondContact O-CA 3.38Å; Y56-G60 PolarHBondContact O-N 3.33Å; D57-G60 PolarHBondContact O-N 3.45Å; G60-Q62 PolarHBondContact O-N 3.2Å; G60-A63 PolarHBondContact O-N 3.46Å; G60-F64 VanDerWaalsContact O-CD2 3.29Å; G60-F64 WeakPolarHBondContact O-CD2 3.44Å; G60-F64 PolarHBondContact O-N 2.94Å
61H83.6Confident89.1Confident74 Ų7489.3 Ų89.334%0.34346%0.458SS..Hα-helixtrans-56.6-39.3178-135.278.2000112.6D57 N68D57-H61 WeakPolarHBondContact O-CB 3.46Å; D57-H61 PolarHBondContact O-N 3.02Å; H61-N68 PolarHBondContact CE1-OD1 3.11Å; H61-N68 VanDerWaalsContact CE1-OD1 3.24Å
62Q80.2Confident89.2Confident152 Ų15284.6 Ų84.671%0.7143%0.432SS*.Hα-helixtrans-71.5-31.8177.1-67.1-176.9-16.300113N59 G60N59-Q62 PolarHBondContact O-N 3.48Å; G60-Q62 PolarHBondContact O-N 3.2Å
63A83.4Confident89.2Confident67 Ų6786 Ų8655%0.55444%0.44SS*.Hα-helixtrans-85.4-29-175.700000113.6N59 G60N59-A63 PolarHBondContact O-N 3.33Å; G60-A63 PolarHBondContact O-N 3.46Å
64F79.9Confident89.2Confident143 Ų14388.6 Ų88.663%0.62745%0.453SS*.THydrogen-bonded Turntrans-120.824.3-166.4-60.4-69.9000114.9G60 E66 D67G60-F64 VanDerWaalsContact O-CD2 3.29Å; G60-F64 WeakPolarHBondContact O-CD2 3.44Å; G60-F64 PolarHBondContact O-N 2.94Å; F64-E66 PolarHBondContact O-N 2.82Å; F64-D67 HydrophobicContact CB-CB 4.08Å; F64-D67 PolarHBondContact O-N 3.33Å
65N76.4Confident89.3Confident154 Ų15491.1 Ų91.182%0.82446%0.46SS*.THydrogen-bonded Turntrans49.259.9176.9-68.3-25.4000113.1D67N65-D67 VanDerWaalsContact C-N 3.3Å; N65-D67 PolarHBondContact O-N 3.34Å
66E71.7Confident89.3Confident145 Ų14591.8 Ų91.868%0.67846%0.461SS*.THydrogen-bonded Turntrans70.511.5176.2-47.9-179.3170.900116.1F64 N68F64-E66 PolarHBondContact O-N 2.82Å; E66-N68 PolarHBondContact O-N 2.84Å
67D82.4Confident89.4Confident100 Ų10093.6 Ų93.654%0.53548%0.477SS..PPolyproline II helixtrans-67.4124.6167.6-160.55.6000110.2F64 N65F64-D67 HydrophobicContact CB-CB 4.08Å; F64-D67 PolarHBondContact O-N 3.33Å; N65-D67 VanDerWaalsContact C-N 3.3Å; N65-D67 PolarHBondContact O-N 3.34Å
68N87.6Confident89.5Confident92 Ų92100 Ų10049%0.49251%0.506SS..PPolyproline II helixtrans-85.1137.2-172.1-71.4-57.7000110.7H61 E66 K70H61-N68 PolarHBondContact CE1-OD1 3.11Å; H61-N68 VanDerWaalsContact CE1-OD1 3.24Å; E66-N68 PolarHBondContact O-N 2.84Å; N68-K70 WeakPolarHBondContact O-CG 3.35Å; N68-K70 PolarHBondContact O-N 2.83Å
69L94.1Very high89.8Confident44 Ų4493.6 Ų93.623%0.2348%0.481CS..PPolyproline II helixtrans-60.4125.4172.8179.265.4000110.1W53 D57 I72W53-L69 HydrophobicContact CD2-CD2 3.66Å; W53-L69 HydrophobicContact CE3-CD2 3.69Å; W53-L69 HydrophobicContact CE3-CG 4.32Å; W53-L69 HydrophobicContact CG-CD2 4.27Å; W53-L69 HydrophobicContact CH2-CB 4.37Å; W53-L69 HydrophobicContact CH2-CD2 4.01Å; W53-L69 HydrophobicContact CH2-CG 3.8Å; W53-L69 WeakPolarHBondContact CH2-O 3.47Å; W53-L69 HydrophobicContact CZ2-CB 4.14Å; W53-L69 HydrophobicContact CZ2-CD2 3.95Å; W53-L69 HydrophobicContact CZ2-CG 3.97Å; W53-L69 WeakPolarHBondContact CZ2-O 3.49Å; W53-L69 HydrophobicContact CZ3-CD2 3.87Å; W53-L69 HydrophobicContact CZ3-CG 3.98Å; D57-L69 HydrophobicContact CB-CB 4.29Å; D57-L69 HydrophobicContact CB-CD2 4.16Å; D57-L69 WeakPolarHBondContact OD1-CB 3.44Å; L69-I72 HydrophobicContact CD1-CG1 4.12Å; L69-I72 HydrophobicContact CD2-CD1 3.73Å; L69-I72 HydrophobicContact CD2-CG1 3.96Å; L69-I72 HydrophobicContact CG-CG1 4.45Å
70K95Very high90.2Very high153 Ų15391.4 Ų91.467%0.66547%0.465SS*.  trans-100.9-39-178.6-59.2-173.7-177.1172.10112.8N68 T84N68-K70 WeakPolarHBondContact O-CG 3.35Å; N68-K70 PolarHBondContact O-N 2.83Å; K70-T84 PolarHBondContact O-OG1 2.85Å
71F97.6Very high90.8Very high45 Ų4592 Ų9220%0.19747%0.466CS..EExtended strand (participates in β ladder)trans-158.9139.3-169.6-141.7-72.7000111.2L73 A82 I83 T84 K105 A108 E109F71-L73 HydrophobicContact CD1-CD2 3.92Å; F71-L73 HydrophobicContact CD1-CG 3.96Å; F71-L73 HydrophobicContact CE1-CD2 3.48Å; F71-L73 VanDerWaalsContact CE1-CD2 3.48Å; F71-L73 HydrophobicContact CE1-CG 4.05Å; F71-A82 HydrophobicContact CE1-CB 3.69Å; F71-A82 HydrophobicContact CZ-CB 4.05Å; F71-I83 WeakPolarHBondContact CA-O 3.15Å; F71-T84 HydrophobicContact CD2-CG2 4.48Å; F71-T84 WeakPolarHBondContact CD2-OG1 3.46Å; F71-T84 VanDerWaalsContact CE2-CB 3.48Å; F71-T84 HydrophobicContact CE2-CG2 3.92Å; F71-T84 HydrophobicContact CZ-CG2 4.31Å; F71-K105 HydrophobicContact CE1-CG 4.44Å; F71-K105 HydrophobicContact CE2-CG 4.09Å; F71-K105 HydrophobicContact CZ-CB 4.36Å; F71-K105 HydrophobicContact CZ-CG 4Å; F71-A108 HydrophobicContact CE2-CB 3.93Å; F71-A108 HydrophobicContact CZ-CB 3.54Å; F71-E109 HydrophobicContact CE2-CG 4.25Å
72I98.4Very high91.5Very high17 Ų1788.6 Ų88.69%0.08745%0.45CS..EExtended strand (participates in β ladder)trans-117.9132.7167.9-65.1172.2000108.7I52 W53 Y56 L69 M74 A82 I83I52-I72 HydrophobicContact CG2-CD1 4.14Å; W53-I72 HydrophobicContact CE3-CD1 4.01Å; W53-I72 HydrophobicContact CE3-CG1 4.33Å; Y56-I72 HydrophobicContact CD2-CD1 3.92Å; Y56-I72 HydrophobicContact CG-CD1 4.23Å; L69-I72 HydrophobicContact CD1-CG1 4.12Å; L69-I72 HydrophobicContact CD2-CD1 3.73Å; L69-I72 HydrophobicContact CD2-CG1 3.96Å; L69-I72 HydrophobicContact CG-CG1 4.45Å; I72-M74 HydrophobicContact CG2-CG 3.81Å; I72-M74 HydrophobicContact CG2-SD 4.45Å; I72-A82 WeakPolarHBondContact O-CA 3.3Å; I72-I83 HydrophobicContact CB-CB 4.28Å; I72-I83 PolarHBondContact N-O 3.3Å; I72-I83 PolarHBondContact O-N 3.08Å
73L98.4Very high92.4Very high72 Ų7281.4 Ų81.438%0.37742%0.417SS..EExtended strand (participates in β ladder)trans-119.4130.2169.3-66.8174.5000108.7F71 V81 A82 F101F71-L73 HydrophobicContact CD1-CD2 3.92Å; F71-L73 HydrophobicContact CD1-CG 3.96Å; F71-L73 HydrophobicContact CE1-CD2 3.48Å; F71-L73 VanDerWaalsContact CE1-CD2 3.48Å; F71-L73 HydrophobicContact CE1-CG 4.05Å; L73-V81 WeakPolarHBondContact CA-O 3.35Å; L73-A82 HydrophobicContact CD2-CB 3.84Å; L73-F101 HydrophobicContact CB-CD1 3.97Å; L73-F101 HydrophobicContact CB-CE1 3.91Å; L73-F101 HydrophobicContact CD1-CB 4.17Å; L73-F101 HydrophobicContact CD1-CD1 4.09Å; L73-F101 HydrophobicContact CD1-CG 4.24Å; L73-F101 HydrophobicContact CD2-CD1 3.88Å; L73-F101 HydrophobicContact CD2-CE1 4.39Å; L73-F101 HydrophobicContact CG-CD1 4.21Å
74M98.3Very high93.1Very high59 Ų5978.8 Ų78.829%0.29139%0.394SS..EExtended strand (participates in β ladder)trans-121.2132.9179.8-54175.760.300110.2I52 I72 R80 V81 F101I52-M74 HydrophobicContact CD1-CE 3.79Å; I52-M74 HydrophobicContact CD1-SD 3.87Å; I52-M74 HydrophobicContact CG2-SD 4.33Å; I72-M74 HydrophobicContact CG2-CG 3.81Å; I72-M74 HydrophobicContact CG2-SD 4.45Å; M74-R80 VanDerWaalsContact O-CA 3.31Å; M74-R80 WeakPolarHBondContact O-CA 3.49Å; M74-V81 HydrophobicContact CB-CB 4.12Å; M74-V81 HydrophobicContact CG-CB 4.49Å; M74-V81 PolarHBondContact N-O 3.3Å; M74-V81 PolarHBondContact O-N 3.03Å; M74-V81 HydrophobicContact SD-CB 4.4Å; M74-F101 WeakPolarHBondContact O-CE1 3.25Å
75D98.2Very high93.9Very high102 Ų10277.1 Ų77.155%0.54538%0.383SS..EExtended strand (participates in β ladder)trans-105.1117.6171.9-151.525.2000108.5R80 F101D75-R80 VanDerWaalsContact OD1-CG 3.27Å; D75-R80 WeakPolarHBondContact OD1-CG 3.39Å; D75-R80 IonicContact OD1-CZ 3.68Å; D75-R80 IonicContact OD1-NE 3.54Å; D75-R80 PolarHBondContact OD1-NE 3.43Å; D75-R80 IonicContact OD1-NH2 3.97Å; D75-R80 IonicContact OD2-NH2 3.62Å; D75-F101 HydrophobicContact CB-CE2 4.07Å; D75-F101 HydrophobicContact CB-CZ 3.7Å
76C96.6Very high94.8Very high61 Ų6169.8 Ų69.841%0.41234%0.344SS..EExtended strand (participates in β ladder)trans-114.3160.9175-58.40000108.8E78 G79C76-E78 PolarHBondContact O-N 3.24Å; C76-E78 VanDerWaalsContact O-N 3.16Å; C76-G79 CarbonylContact C-O 3.56Å; C76-G79 WeakPolarHBondContact CA-O 3.41Å; C76-G79 VanDerWaalsContact CB-O 3.28Å; C76-G79 WeakPolarHBondContact CB-O 3.38Å; C76-G79 PolarHBondContact N-O 3.28Å; C76-G79 PolarHBondContact O-N 3.16Å; C76-G79 VanDerWaalsContact O-O 3.05Å
77M96.9Very high95.9Very high187 Ų18763.5 Ų63.592%0.92132%0.317SS*.THydrogen-bonded Turntrans-56.7-34.4-179.2-66.8179.768.500113.3
78E94.6Very high96.3Very high174 Ų17462 Ų6281%0.81331%0.309SS*.THydrogen-bonded Turntrans-122.824.9-175.4-60.6-175.7175.700112.6C76C76-E78 PolarHBondContact O-N 3.24Å; C76-E78 VanDerWaalsContact O-N 3.16Å
79G96.3Very high96.7Very high11 Ų1158.5 Ų58.511%0.11329%0.29CS..EExtended strand (participates in β ladder)trans171.7168.8178.600000114.8C76 A95C76-G79 CarbonylContact C-O 3.56Å; C76-G79 WeakPolarHBondContact CA-O 3.41Å; C76-G79 VanDerWaalsContact CB-O 3.28Å; C76-G79 WeakPolarHBondContact CB-O 3.38Å; C76-G79 PolarHBondContact N-O 3.28Å; C76-G79 PolarHBondContact O-N 3.16Å; C76-G79 VanDerWaalsContact O-O 3.05Å; G79-A95 CarbonylContact C-O 3.6Å; G79-A95 WeakPolarHBondContact CA-O 3.5Å
80R98.1Very high96.9Very high51 Ų5156.4 Ų56.419%0.19228%0.28CS..EExtended strand (participates in β ladder)trans-127.9144.8175.1-76.5172.5174.8156.75.7110.4M74 D75 Y94 A95 E97 V99 F101 L104M74-R80 VanDerWaalsContact O-CA 3.31Å; M74-R80 WeakPolarHBondContact O-CA 3.49Å; D75-R80 VanDerWaalsContact OD1-CG 3.27Å; D75-R80 WeakPolarHBondContact OD1-CG 3.39Å; D75-R80 IonicContact OD1-CZ 3.68Å; D75-R80 IonicContact OD1-NE 3.54Å; D75-R80 PolarHBondContact OD1-NE 3.43Å; D75-R80 IonicContact OD1-NH2 3.97Å; D75-R80 IonicContact OD2-NH2 3.62Å; R80-Y94 CarbonylContact O-C 3.57Å; R80-Y94 VanDerWaalsContact O-CA 3.25Å; R80-Y94 WeakPolarHBondContact O-CA 3.48Å; R80-A95 PolarHBondContact N-O 2.98Å; R80-A95 PolarHBondContact O-N 2.98Å; R80-E97 VanDerWaalsContact CZ-O 3.3Å; R80-E97 PolarHBondContact NH1-O 2.83Å; R80-E97 VanDerWaalsContact NH1-O 3.11Å; R80-V99 WeakPolarHBondContact CD-O 3.27Å; R80-V99 PolarHBondContact NH1-O 2.95Å; R80-F101 HydrophobicContact CB-CE1 3.91Å; R80-F101 HydrophobicContact CB-CZ 4.42Å; R80-F101 HydrophobicContact CG-CD1 4.48Å; R80-F101 HydrophobicContact CG-CE1 3.74Å; R80-F101 HydrophobicContact CG-CZ 3.77Å; R80-L104 HydrophobicContact CB-CD2 4.06Å
81V98.2Very high97Very high29 Ų2949.2 Ų49.218%0.17625%0.248CC..EExtended strand (participates in β ladder)trans-126139.9-179.2-170.30000109.9L73 M74 I83 M93L73-V81 WeakPolarHBondContact CA-O 3.35Å; M74-V81 HydrophobicContact CB-CB 4.12Å; M74-V81 HydrophobicContact CG-CB 4.49Å; M74-V81 PolarHBondContact N-O 3.3Å; M74-V81 PolarHBondContact O-N 3.03Å; M74-V81 HydrophobicContact SD-CB 4.4Å; V81-I83 HydrophobicContact CG1-CG1 4.07Å; V81-M93 CarbonylContact C-O 3.52Å; V81-M93 WeakPolarHBondContact CA-O 3.13Å
82A98.6Very high97.1Very high2 Ų247.1 Ų47.12%0.01724%0.239CC..EExtended strand (participates in β ladder)trans-121.3129.2170.100000109F71 I72 L73 C92 M93 L104F71-A82 HydrophobicContact CE1-CB 3.69Å; F71-A82 HydrophobicContact CZ-CB 4.05Å; I72-A82 WeakPolarHBondContact O-CA 3.3Å; L73-A82 HydrophobicContact CD2-CB 3.84Å; A82-C92 CarbonylContact O-C 3.6Å; A82-C92 WeakPolarHBondContact O-CA 3.44Å; A82-M93 PolarHBondContact N-O 2.96Å; A82-M93 PolarHBondContact O-N 3.27Å; A82-L104 HydrophobicContact CB-CD1 4.45Å; A82-L104 HydrophobicContact CB-CD2 3.74Å; A82-L104 HydrophobicContact CB-CG 3.7Å
83I98.6Very high97Very high1 Ų146.4 Ų46.41%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-125.4128.9173.8-47.8171.1000107.7A49 W53 F71 I72 V81 L91A49-I83 HydrophobicContact CB-CD1 3.86Å; A49-I83 HydrophobicContact CB-CG1 4.4Å; W53-I83 HydrophobicContact CD2-CG2 4.41Å; W53-I83 HydrophobicContact CE3-CB 4.22Å; W53-I83 HydrophobicContact CE3-CG2 3.62Å; W53-I83 HydrophobicContact CZ3-CG2 4.27Å; F71-I83 WeakPolarHBondContact CA-O 3.15Å; I72-I83 HydrophobicContact CB-CB 4.28Å; I72-I83 PolarHBondContact N-O 3.3Å; I72-I83 PolarHBondContact O-N 3.08Å; V81-I83 HydrophobicContact CG1-CG1 4.07Å; I83-L91 WeakPolarHBondContact CA-O 3.36Å
84T98.5Very high96.9Very high12 Ų1244.3 Ų44.37%0.07422%0.223CC..EExtended strand (participates in β ladder)trans-144.2159.8177.7-173.60000110.2K70 F71 L91 A108 V112K70-T84 PolarHBondContact O-OG1 2.85Å; F71-T84 HydrophobicContact CD2-CG2 4.48Å; F71-T84 WeakPolarHBondContact CD2-OG1 3.46Å; F71-T84 VanDerWaalsContact CE2-CB 3.48Å; F71-T84 HydrophobicContact CE2-CG2 3.92Å; F71-T84 HydrophobicContact CZ-CG2 4.31Å; T84-L91 HydrophobicContact CG2-CB 3.94Å; T84-L91 HydrophobicContact CG2-CD2 4.07Å; T84-L91 HydrophobicContact CG2-CG 4.47Å; T84-L91 PolarHBondContact N-O 3.26Å; T84-L91 PolarHBondContact O-N 3.02Å; T84-A108 HydrophobicContact CG2-CB 4.22Å; T84-V112 HydrophobicContact CG2-CG2 3.47Å; T84-V112 VanDerWaalsContact CG2-CG2 3.47Å
85R97Very high96.8Very high108 Ų10841.5 Ų41.541%0.40821%0.209SC..EExtended strand (participates in β ladder)trans-82.3145.5172.7-165.9171.1179.6147.7-0.4110.9W53 A87 L89W53-R85 HydrophobicContact CH2-CB 4.15Å; W53-R85 HydrophobicContact CZ2-CB 4.09Å; R85-A87 WeakPolarHBondContact CG-O 3.3Å; R85-A87 PolarHBondContact NE-O 3.28Å; R85-L89 WeakPolarHBondContact CA-O 3.36Å; R85-L89 WeakPolarHBondContact CG-O 3.34Å
86V96Very high96.7Very high0 Ų041.5 Ų41.50%020%0.204CC..EExtended strand (participates in β ladder)trans-139.3117.2166.659.90000107.9L24 N88 L89 L91 V112 L115 E116 L119L24-V86 HydrophobicContact CD1-CG1 3.55Å; V86-N88 PolarHBondContact O-N 3.07Å; V86-L89 HydrophobicContact CG1-CB 4.28Å; V86-L89 PolarHBondContact N-O 3.33Å; V86-L89 CarbonylContact O-C 3.58Å; V86-L89 WeakPolarHBondContact O-CA 3.44Å; V86-L89 WeakPolarHBondContact O-CB 3.33Å; V86-L89 PolarHBondContact O-N 3.02Å; V86-L91 HydrophobicContact CG1-CB 4.17Å; V86-V112 HydrophobicContact CB-CG1 4.43Å; V86-V112 HydrophobicContact CB-CG2 4.24Å; V86-V112 HydrophobicContact CG2-CG1 4.38Å; V86-L115 HydrophobicContact CG2-CB 3.9Å; V86-E116 WeakPolarHBondContact CA-OE2 3.41Å; V86-E116 WeakPolarHBondContact CG2-OE2 3.18Å; V86-L119 HydrophobicContact CG1-CD1 3.96Å; V86-L119 HydrophobicContact CG2-CD1 3.9Å
87A93.6Very high96.8Very high14 Ų1442.6 Ų42.612%0.11620%0.203CC..THydrogen-bonded Turntrans50.9-120.1-166.900000112.2R85 E116 L119 T120R85-A87 WeakPolarHBondContact CG-O 3.3Å; R85-A87 PolarHBondContact NE-O 3.28Å; A87-E116 VanDerWaalsContact CA-OE1 3.3Å; A87-E116 WeakPolarHBondContact CA-OE1 3.37Å; A87-E116 PolarHBondContact N-OE1 2.8Å; A87-E116 PolarHBondContact N-OE2 2.81Å; A87-L119 HydrophobicContact CB-CB 4.09Å; A87-T120 VanDerWaalsContact CB-OG1 3.27Å; A87-T120 WeakPolarHBondContact CB-OG1 3.43Å
88N92.3Very high96.8Very high67 Ų6738.6 Ų38.636%0.35819%0.19SC..THydrogen-bonded Turntrans-100.813.3174.170.1-26.5000113.7N27 V86 A123N27-N88 PolarHBondContact ND2-O 3.44Å; V86-N88 PolarHBondContact O-N 3.07Å; N88-A123 WeakPolarHBondContact OD1-CB 3.43Å
89L95.6Very high97Very high19 Ų1930.8 Ų30.810%0.09915%0.154CC..EExtended strand (participates in β ladder)trans-114.2170.8-177.8-58.8178.7000111.3L24 L25 N26 L32 R85 V86 L119L24-L89 HydrophobicContact CD1-CB 4.22Å; L24-L89 HydrophobicContact CD1-CD1 4.33Å; L24-L89 HydrophobicContact CD2-CD1 3.92Å; L24-L89 HydrophobicContact CG-CD1 4.13Å; L25-L89 WeakPolarHBondContact O-CB 3.49Å; N26-L89 HydrophobicContact CB-CD2 4Å; L32-L89 HydrophobicContact CD1-CD1 3.59Å; L32-L89 HydrophobicContact CD1-CD2 3.46Å; L32-L89 VanDerWaalsContact CD1-CD2 3.46Å; L32-L89 HydrophobicContact CD1-CG 4.13Å; R85-L89 WeakPolarHBondContact CA-O 3.36Å; R85-L89 WeakPolarHBondContact CG-O 3.34Å; V86-L89 HydrophobicContact CG1-CB 4.28Å; V86-L89 PolarHBondContact N-O 3.33Å; V86-L89 CarbonylContact O-C 3.58Å; V86-L89 WeakPolarHBondContact O-CA 3.44Å; V86-L89 WeakPolarHBondContact O-CB 3.33Å; V86-L89 PolarHBondContact O-N 3.02Å; L89-L119 HydrophobicContact CD1-CD1 4.3Å; L89-L119 HydrophobicContact CD1-CD2 4.41Å
90L97.8Very high97.1Very high1 Ų131.9 Ų31.91%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-111.1134.5173.7-62.8176.7000110.4L25 W53L25-L90 HydrophobicContact CD1-CB 3.89Å; L25-L90 HydrophobicContact CD1-CD1 3.98Å; L25-L90 HydrophobicContact CG-CB 3.9Å; L25-L90 PolarHBondContact N-O 3.49Å; L25-L90 PolarHBondContact O-N 3.21Å; W53-L90 HydrophobicContact CB-CD1 3.89Å; W53-L90 HydrophobicContact CD2-CD1 4.43Å; W53-L90 HydrophobicContact CD2-CD2 3.55Å; W53-L90 HydrophobicContact CE3-CD2 4.07Å; W53-L90 HydrophobicContact CG-CD1 3.82Å; W53-L90 HydrophobicContact CG-CD2 3.79Å; W53-L90 HydrophobicContact CG-CG 4.48Å; W53-L90 HydrophobicContact CZ2-CD2 4.1Å
91L98.3Very high97.1Very high2 Ų232.2 Ų32.21%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-102.8122.5168.6-177.373.6000108.2L11 T22 L23 L24 I83 T84 V86 A108 L111 V112L11-L91 HydrophobicContact CD2-CD1 4.03Å; T22-L91 HydrophobicContact CG2-CD1 3.83Å; L23-L91 WeakPolarHBondContact O-CA 3.4Å; L24-L91 HydrophobicContact CD1-CD1 4.48Å; I83-L91 WeakPolarHBondContact CA-O 3.36Å; T84-L91 HydrophobicContact CG2-CB 3.94Å; T84-L91 HydrophobicContact CG2-CD2 4.07Å; T84-L91 HydrophobicContact CG2-CG 4.47Å; T84-L91 PolarHBondContact N-O 3.26Å; T84-L91 PolarHBondContact O-N 3.02Å; V86-L91 HydrophobicContact CG1-CB 4.17Å; L91-A108 HydrophobicContact CD2-CB 4.47Å; L91-L111 HydrophobicContact CD1-CD1 4.37Å; L91-L111 HydrophobicContact CD2-CB 3.77Å; L91-L111 HydrophobicContact CD2-CD1 4.12Å; L91-V112 HydrophobicContact CD2-CG2 4.08Å
92C98.3Very high97.1Very high1 Ų133.6 Ų33.61%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-119.4129.9175.9177.40000109.7T22 L23 L25 A49 A82T22-C92 CarbonylContact C-O 3.4Å; T22-C92 WeakPolarHBondContact CA-O 3.3Å; L23-C92 HydrophobicContact CB-CB 4.3Å; L23-C92 PolarHBondContact N-O 3.4Å; L23-C92 PolarHBondContact O-N 2.78Å; L25-C92 HydrophobicContact CD2-CB 3.86Å; A49-C92 HydrophobicContact CB-CB 4.16Å; A82-C92 CarbonylContact O-C 3.6Å; A82-C92 WeakPolarHBondContact O-CA 3.44Å
93M97.6Very high97.1Very high1 Ų138.9 Ų38.91%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-126139172.4-70.9-168.3-54.200110A14 S21 T22 V81 A82 L104 K107 A108 L111A14-M93 HydrophobicContact CB-SD 3.82Å; S21-M93 WeakPolarHBondContact O-CA 3.35Å; T22-M93 HydrophobicContact CG2-CG 3.74Å; T22-M93 HydrophobicContact CG2-SD 4.22Å; T22-M93 WeakPolarHBondContact OG1-CG 3.48Å; V81-M93 CarbonylContact C-O 3.52Å; V81-M93 WeakPolarHBondContact CA-O 3.13Å; A82-M93 PolarHBondContact N-O 2.96Å; A82-M93 PolarHBondContact O-N 3.27Å; M93-L104 HydrophobicContact CB-CD1 4.05Å; M93-L104 HydrophobicContact CE-CD1 3.96Å; M93-L104 HydrophobicContact CE-CG 4.48Å; M93-L104 WeakPolarHBondContact CE-O 3.31Å; M93-K107 HydrophobicContact CE-CB 4.1Å; M93-A108 HydrophobicContact CE-CB 3.35Å; M93-A108 VanDerWaalsContact CE-N 3.29Å; M93-L111 HydrophobicContact SD-CD1 4.03Å
94Y95.1Very high97.1Very high28 Ų2838.8 Ų38.811%0.1121%0.214CC..EExtended strand (participates in β ladder)trans-127.9148.3169.269.4-97.7000112.2Q20 S21 L23 T45 R80Q20-Y94 HydrophobicContact CB-CD2 4.06Å; Q20-Y94 HydrophobicContact CB-CE2 3.79Å; Q20-Y94 PolarHBondContact N-O 2.81Å; S21-Y94 WeakPolarHBondContact CB-OH 3.49Å; S21-Y94 PolarHBondContact N-O 3.2Å; S21-Y94 PolarHBondContact O-N 2.99Å; S21-Y94 PolarHBondContact OG-OH 2.98Å; L23-Y94 HydrophobicContact CD1-CD1 3.98Å; L23-Y94 HydrophobicContact CD1-CE1 3.92Å; T45-Y94 HydrophobicContact CG2-CD1 4.11Å; T45-Y94 HydrophobicContact CG2-CE1 4.12Å; R80-Y94 CarbonylContact O-C 3.57Å; R80-Y94 VanDerWaalsContact O-CA 3.25Å; R80-Y94 WeakPolarHBondContact O-CA 3.48Å
95A96.9Very high97.1Very high1 Ų142.1 Ų42.11%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-143.2165.5-170.800000110.5G18 V19 G79 R80 V99 L104G18-A95 WeakPolarHBondContact O-CA 3.37Å; V19-A95 HydrophobicContact CB-CB 4.35Å; V19-A95 HydrophobicContact CG2-CB 4.13Å; G79-A95 CarbonylContact C-O 3.6Å; G79-A95 WeakPolarHBondContact CA-O 3.5Å; R80-A95 PolarHBondContact N-O 2.98Å; R80-A95 PolarHBondContact O-N 2.98Å; A95-V99 HydrophobicContact CB-CB 3.91Å; A95-V99 HydrophobicContact CB-CG1 4.27Å; A95-V99 HydrophobicContact CB-CG2 3.91Å; A95-L104 HydrophobicContact CB-CD1 4.05Å
96K96.8Very high97.1Very high101 Ų10139.3 Ų39.344%0.43923%0.227SC..  trans-60.3152.6168.2-61.8-175.3179.1-172.10110.9G18 Q20 T98 V99G18-K96 PolarHBondContact O-N 3.43Å; Q20-K96 HydrophobicContact CG-CG 4.37Å; K96-T98 PolarHBondContact O-N 2.79Å; K96-T98 VanDerWaalsContact O-N 3.11Å; K96-V99 WeakPolarHBondContact O-CB 3.35Å; K96-V99 PolarHBondContact O-N 3.37Å
97E97.1Very high97.3Very high84 Ų8440.9 Ų40.939%0.39323%0.234SC..THydrogen-bonded Turntrans-56.5-25.2175.873.1-64.5157.300113.2R80 V99R80-E97 VanDerWaalsContact CZ-O 3.3Å; R80-E97 PolarHBondContact NH1-O 2.83Å; R80-E97 VanDerWaalsContact NH1-O 3.11Å; E97-V99 VanDerWaalsContact C-N 3.28Å; E97-V99 PolarHBondContact O-N 3.05Å
98T97.9Very high97.5Very high104 Ų10440.3 Ų40.364%0.63823%0.229SC*.THydrogen-bonded Turntrans-70.2-18.1175.549.10000114.2K96 G100K96-T98 PolarHBondContact O-N 2.79Å; K96-T98 VanDerWaalsContact O-N 3.11Å; T98-G100 PolarHBondContact O-N 3.11Å
99V98.3Very high97.8Very high9 Ų941.4 Ų41.46%0.05523%0.232CC..SBendtrans-81.5119.6179.4-178.10000110.1N17 V19 R80 A95 K96 E97 M103 L104N17-V99 WeakPolarHBondContact O-CG2 3.35Å; V19-V99 HydrophobicContact CG2-CG1 4.37Å; R80-V99 WeakPolarHBondContact CD-O 3.27Å; R80-V99 PolarHBondContact NH1-O 2.95Å; A95-V99 HydrophobicContact CB-CB 3.91Å; A95-V99 HydrophobicContact CB-CG1 4.27Å; A95-V99 HydrophobicContact CB-CG2 3.91Å; K96-V99 WeakPolarHBondContact O-CB 3.35Å; K96-V99 PolarHBondContact O-N 3.37Å; E97-V99 VanDerWaalsContact C-N 3.28Å; E97-V99 PolarHBondContact O-N 3.05Å; V99-M103 HydrophobicContact CG1-CB 4.43Å; V99-L104 HydrophobicContact CG1-CB 4.42Å
100G98.1Very high97.9Very high35 Ų3543.1 Ų43.136%0.36125%0.249SC..  trans-64.1142.4177.700000113.1T98 G102 M103 L104T98-G100 PolarHBondContact O-N 3.11Å; G100-G102 PolarHBondContact O-N 2.81Å; G100-M103 PolarHBondContact O-N 3Å; G100-M103 VanDerWaalsContact O-N 3.07Å; G100-L104 PolarHBondContact O-N 2.86Å; G100-L104 VanDerWaalsContact O-N 3.09Å
101F98.5Very high97.9Very high58 Ų5843.7 Ų43.725%0.25425%0.252SS..Hα-helixtrans-55.6-36.6178.1-78.6-54.7000113.9L73 M74 D75 R80 M103 L104 K105L73-F101 HydrophobicContact CB-CD1 3.97Å; L73-F101 HydrophobicContact CB-CE1 3.91Å; L73-F101 HydrophobicContact CD1-CB 4.17Å; L73-F101 HydrophobicContact CD1-CD1 4.09Å; L73-F101 HydrophobicContact CD1-CG 4.24Å; L73-F101 HydrophobicContact CD2-CD1 3.88Å; L73-F101 HydrophobicContact CD2-CE1 4.39Å; L73-F101 HydrophobicContact CG-CD1 4.21Å; M74-F101 WeakPolarHBondContact O-CE1 3.25Å; D75-F101 HydrophobicContact CB-CE2 4.07Å; D75-F101 HydrophobicContact CB-CZ 3.7Å; R80-F101 HydrophobicContact CB-CE1 3.91Å; R80-F101 HydrophobicContact CB-CZ 4.42Å; R80-F101 HydrophobicContact CG-CD1 4.48Å; R80-F101 HydrophobicContact CG-CE1 3.74Å; R80-F101 HydrophobicContact CG-CZ 3.77Å; F101-M103 VanDerWaalsContact C-N 3.32Å; F101-M103 PolarHBondContact O-N 2.89Å; F101-L104 PolarHBondContact O-N 2.77Å; F101-K105 VanDerWaalsContact O-CB 3.23Å; F101-K105 WeakPolarHBondContact O-CB 3.33Å; F101-K105 PolarHBondContact O-N 2.83Å
102G98.4Very high97.9Very high58 Ų5844.9 Ų44.960%0.59826%0.259SS*.Hα-helixtrans-59.2-42.317700000112.6G100 A106G100-G102 PolarHBondContact O-N 2.81Å; G102-A106 VanDerWaalsContact O-CB 3.28Å; G102-A106 WeakPolarHBondContact O-CB 3.35Å; G102-A106 PolarHBondContact O-N 3.11Å
103M98.4Very high97.9Very high112 Ų11252.7 Ų52.755%0.55230%0.296SS*.Hα-helixtrans-69.7-44.3176.8-176.558.662.700111.5V99 G100 F101 K105 A106 K107V99-M103 HydrophobicContact CG1-CB 4.43Å; G100-M103 PolarHBondContact O-N 3Å; G100-M103 VanDerWaalsContact O-N 3.07Å; F101-M103 VanDerWaalsContact C-N 3.32Å; F101-M103 PolarHBondContact O-N 2.89Å; M103-K105 VanDerWaalsContact C-N 3.34Å; M103-K105 PolarHBondContact O-N 3.14Å; M103-A106 PolarHBondContact O-N 3.48Å; M103-K107 WeakPolarHBondContact O-CG 3.36Å; M103-K107 PolarHBondContact O-N 3.38Å; M103-K107 HydrophobicContact SD-CG 4.41Å
104L98.4Very high97.9Very high0 Ų060.1 Ų60.10%033%0.325CS..Hα-helixtrans-61-44.8178.8-173.363.9000111.2V19 R80 A82 M93 A95 V99 G100 F101 A108V19-L104 HydrophobicContact CG2-CD1 4.18Å; R80-L104 HydrophobicContact CB-CD2 4.06Å; A82-L104 HydrophobicContact CB-CD1 4.45Å; A82-L104 HydrophobicContact CB-CD2 3.74Å; A82-L104 HydrophobicContact CB-CG 3.7Å; M93-L104 HydrophobicContact CB-CD1 4.05Å; M93-L104 HydrophobicContact CE-CD1 3.96Å; M93-L104 HydrophobicContact CE-CG 4.48Å; M93-L104 WeakPolarHBondContact CE-O 3.31Å; A95-L104 HydrophobicContact CB-CD1 4.05Å; V99-L104 HydrophobicContact CG1-CB 4.42Å; G100-L104 PolarHBondContact O-N 2.86Å; G100-L104 VanDerWaalsContact O-N 3.09Å; F101-L104 PolarHBondContact O-N 2.77Å; L104-A108 PolarHBondContact O-N 3.4Å; L104-A108 VanDerWaalsContact O-N 3.14Å
105K98.6Very high97.9Very high81 Ų8159.1 Ų59.135%0.35232%0.322SS..Hα-helixtrans-63.8-49.1176.4-179.5177171.3179.50112F71 F101 M103 K107 A108 E109F71-K105 HydrophobicContact CE1-CG 4.44Å; F71-K105 HydrophobicContact CE2-CG 4.09Å; F71-K105 HydrophobicContact CZ-CB 4.36Å; F71-K105 HydrophobicContact CZ-CG 4Å; F101-K105 VanDerWaalsContact O-CB 3.23Å; F101-K105 WeakPolarHBondContact O-CB 3.33Å; F101-K105 PolarHBondContact O-N 2.83Å; M103-K105 VanDerWaalsContact C-N 3.34Å; M103-K105 PolarHBondContact O-N 3.14Å; K105-K107 VanDerWaalsContact C-N 3.29Å; K105-K107 PolarHBondContact O-N 2.83Å; K105-A108 WeakPolarHBondContact O-CA 3.48Å; K105-A108 VanDerWaalsContact O-CB 3.29Å; K105-A108 WeakPolarHBondContact O-CB 3.28Å; K105-A108 PolarHBondContact O-N 2.84Å; K105-E109 WeakPolarHBondContact CE-OE1 3.35Å; K105-E109 HydrophobicContact CG-CG 4.33Å; K105-E109 IonicContact NZ-OE1 2.81Å; K105-E109 WeakPolarHBondContact O-CG 3.24Å; K105-E109 PolarHBondContact O-N 2.95Å
106A98.6Very high97.8Very high50 Ų5062.6 Ų62.641%0.41334%0.337SS..Hα-helixtrans-59.6-39.7-179.300000112.4G102 M103 A108 A110G102-A106 VanDerWaalsContact O-CB 3.28Å; G102-A106 WeakPolarHBondContact O-CB 3.35Å; G102-A106 PolarHBondContact O-N 3.11Å; M103-A106 PolarHBondContact O-N 3.48Å; A106-A108 VanDerWaalsContact C-N 3.35Å; A106-A110 WeakPolarHBondContact O-CB 3.39Å; A106-A110 PolarHBondContact O-N 3.16Å
107K98.6Very high97.6Very high33 Ų3364.3 Ų64.314%0.14335%0.347CS..Hα-helixtrans-63.7-39.6173.3-75.4-178166.1-161.10112.3A14 T16 V19 M93 M103 K105 L111A14-K107 PolarHBondContact O-NZ 2.93Å; T16-K107 PolarHBondContact O-NZ 3.2Å; T16-K107 PolarHBondContact OG1-NZ 3.4Å; V19-K107 HydrophobicContact CG2-CD 4Å; M93-K107 HydrophobicContact CE-CB 4.1Å; M103-K107 WeakPolarHBondContact O-CG 3.36Å; M103-K107 PolarHBondContact O-N 3.38Å; M103-K107 HydrophobicContact SD-CG 4.41Å; K105-K107 VanDerWaalsContact C-N 3.29Å; K105-K107 PolarHBondContact O-N 2.83Å; K107-L111 PolarHBondContact O-N 3Å; K107-L111 VanDerWaalsContact O-N 3.13Å
108A98.4Very high97.4Very high2 Ų262.6 Ų62.62%0.01734%0.343CS..Hα-helixtrans-64-49178.600000110.2F71 T84 L91 M93 L104 K105 A106 A110 L111 V112F71-A108 HydrophobicContact CE2-CB 3.93Å; F71-A108 HydrophobicContact CZ-CB 3.54Å; T84-A108 HydrophobicContact CG2-CB 4.22Å; L91-A108 HydrophobicContact CD2-CB 4.47Å; M93-A108 HydrophobicContact CE-CB 3.35Å; M93-A108 VanDerWaalsContact CE-N 3.29Å; L104-A108 PolarHBondContact O-N 3.4Å; L104-A108 VanDerWaalsContact O-N 3.14Å; K105-A108 WeakPolarHBondContact O-CA 3.48Å; K105-A108 VanDerWaalsContact O-CB 3.29Å; K105-A108 WeakPolarHBondContact O-CB 3.28Å; K105-A108 PolarHBondContact O-N 2.84Å; A106-A108 VanDerWaalsContact C-N 3.35Å; A108-A110 VanDerWaalsContact C-N 3.33Å; A108-A110 PolarHBondContact O-N 3.43Å; A108-L111 WeakPolarHBondContact O-CB 3.44Å; A108-L111 PolarHBondContact O-N 3.03Å; A108-L111 VanDerWaalsContact O-N 3.15Å; A108-V112 VanDerWaalsContact O-CG2 3.31Å; A108-V112 WeakPolarHBondContact O-CG2 3.49Å; A108-V112 PolarHBondContact O-N 3.11Å
109E98.5Very high97.1Very high89 Ų8958 Ų5842%0.41632%0.315SS..Hα-helixtrans-62.3-39.4-179.7-71174.9151.400111.6F71 K105 L111 V112 Q113F71-E109 HydrophobicContact CE2-CG 4.25Å; K105-E109 WeakPolarHBondContact CE-OE1 3.35Å; K105-E109 HydrophobicContact CG-CG 4.33Å; K105-E109 IonicContact NZ-OE1 2.81Å; K105-E109 WeakPolarHBondContact O-CG 3.24Å; K105-E109 PolarHBondContact O-N 2.95Å; E109-L111 PolarHBondContact O-N 3.41Å; E109-V112 PolarHBondContact O-N 3.27Å; E109-Q113 WeakPolarHBondContact O-CB 3.05Å; E109-Q113 PolarHBondContact O-N 3.29Å
110A98.6Very high96.8Very high55 Ų5560.7 Ų60.746%0.45533%0.331SS..Hα-helixtrans-62.1-41.5174.200000112.3A106 A108 Y114A106-A110 WeakPolarHBondContact O-CB 3.39Å; A106-A110 PolarHBondContact O-N 3.16Å; A108-A110 VanDerWaalsContact C-N 3.33Å; A108-A110 PolarHBondContact O-N 3.43Å; A110-Y114 WeakPolarHBondContact O-CB 3.11Å; A110-Y114 PolarHBondContact O-N 3.5Å; A110-Y114 VanDerWaalsContact O-N 3.1Å
111L98Very high96.2Very high14 Ų1464.7 Ų64.77%0.07334%0.341CS..Hα-helixtrans-66.2-44174.2-75.4178.5000111.9V10 A14 T22 L91 M93 K107 A108 E109 Y114 L115V10-L111 HydrophobicContact CG1-CD2 3.88Å; A14-L111 HydrophobicContact CB-CD1 3.69Å; A14-L111 HydrophobicContact CB-CG 4.4Å; T22-L111 HydrophobicContact CG2-CD1 3.74Å; L91-L111 HydrophobicContact CD1-CD1 4.37Å; L91-L111 HydrophobicContact CD2-CB 3.77Å; L91-L111 HydrophobicContact CD2-CD1 4.12Å; M93-L111 HydrophobicContact SD-CD1 4.03Å; K107-L111 PolarHBondContact O-N 3Å; K107-L111 VanDerWaalsContact O-N 3.13Å; A108-L111 WeakPolarHBondContact O-CB 3.44Å; A108-L111 PolarHBondContact O-N 3.03Å; A108-L111 VanDerWaalsContact O-N 3.15Å; E109-L111 PolarHBondContact O-N 3.41Å; L111-Y114 PolarHBondContact O-N 3.3Å; L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 VanDerWaalsContact O-CG 3.25Å; L111-L115 WeakPolarHBondContact O-CG 3.41Å; L111-L115 PolarHBondContact O-N 3.47Å
112V98Very high95.2Very high26 Ų2664.7 Ų64.716%0.15835%0.345CS..Hα-helixtrans-56.4-53.3175.4171.20000109.4T84 V86 L91 A108 E109 Y114 L115 E116T84-V112 HydrophobicContact CG2-CG2 3.47Å; T84-V112 VanDerWaalsContact CG2-CG2 3.47Å; V86-V112 HydrophobicContact CB-CG1 4.43Å; V86-V112 HydrophobicContact CB-CG2 4.24Å; V86-V112 HydrophobicContact CG2-CG1 4.38Å; L91-V112 HydrophobicContact CD2-CG2 4.08Å; A108-V112 VanDerWaalsContact O-CG2 3.31Å; A108-V112 WeakPolarHBondContact O-CG2 3.49Å; A108-V112 PolarHBondContact O-N 3.11Å; E109-V112 PolarHBondContact O-N 3.27Å; V112-Y114 VanDerWaalsContact C-N 3.28Å; V112-Y114 PolarHBondContact O-N 2.95Å; V112-L115 PolarHBondContact O-N 3.28Å; V112-L115 VanDerWaalsContact O-N 3.11Å; V112-E116 VanDerWaalsContact O-CB 3.31Å; V112-E116 WeakPolarHBondContact O-CB 3.31Å; V112-E116 PolarHBondContact O-N 3.27Å
113Q97.8Very high93.7Very high166 Ų16663.9 Ų63.978%0.77633%0.333SS*.Hα-helixtrans-56.7-41.1-179.2-175.2-179.8200112.5E109E109-Q113 WeakPolarHBondContact O-CB 3.05Å; E109-Q113 PolarHBondContact O-N 3.29Å
114Y96.9Very high91.7Very high156 Ų15662.8 Ų62.861%0.61234%0.342SS*.Hα-helixtrans-74-33.4179.5-176.8-94.2000113.1V10 A110 L111 V112V10-Y114 HydrophobicContact CB-CE1 4.48Å; V10-Y114 HydrophobicContact CG1-CD1 3.75Å; V10-Y114 HydrophobicContact CG1-CE1 3.87Å; V10-Y114 HydrophobicContact CG2-CD1 4.48Å; V10-Y114 HydrophobicContact CG2-CE1 3.75Å; A110-Y114 WeakPolarHBondContact O-CB 3.11Å; A110-Y114 PolarHBondContact O-N 3.5Å; A110-Y114 VanDerWaalsContact O-N 3.1Å; L111-Y114 PolarHBondContact O-N 3.3Å; V112-Y114 VanDerWaalsContact C-N 3.28Å; V112-Y114 PolarHBondContact O-N 2.95Å
115L95.6Very high88.9Confident8 Ų870 Ų704%0.04239%0.392CS..Hα-helixtrans-96.3-15.7-173-66.9174.7000114.2L7 V10 L11 V86 L111 V112 E117 P118 L119L7-L115 HydrophobicContact CD1-CD1 4.29Å; L7-L115 HydrophobicContact CD1-CD2 3.78Å; V10-L115 HydrophobicContact CG1-CD2 4.04Å; V10-L115 HydrophobicContact CG1-CG 4.38Å; L11-L115 HydrophobicContact CD2-CD1 3.93Å; V86-L115 HydrophobicContact CG2-CB 3.9Å; L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 VanDerWaalsContact O-CG 3.25Å; L111-L115 WeakPolarHBondContact O-CG 3.41Å; L111-L115 PolarHBondContact O-N 3.47Å; V112-L115 PolarHBondContact O-N 3.28Å; V112-L115 VanDerWaalsContact O-N 3.11Å; L115-E117 PolarHBondContact O-N 3.3Å; L115-P118 VanDerWaalsContact O-CD 3.3Å; L115-P118 WeakPolarHBondContact O-CD 3.48Å; L115-P118 WeakPolarHBondContact O-CG 3.38Å; L115-L119 HydrophobicContact CB-CD1 3.79Å; L115-L119 HydrophobicContact CB-CG 4.25Å; L115-L119 VanDerWaalsContact O-CB 3.23Å; L115-L119 WeakPolarHBondContact O-CB 3.17Å; L115-L119 VanDerWaalsContact O-CG 3.24Å; L115-L119 WeakPolarHBondContact O-CG 3.26Å; L115-L119 PolarHBondContact O-N 2.95Å
116E94.8Very high88.4Confident73 Ų7369.5 Ų69.534%0.34139%0.394SS..Hα-helixtrans-55.5-57.3-173.2-168.966.7-15900112.3V86 A87 V112 T120V86-E116 WeakPolarHBondContact CA-OE2 3.41Å; V86-E116 WeakPolarHBondContact CG2-OE2 3.18Å; A87-E116 VanDerWaalsContact CA-OE1 3.3Å; A87-E116 WeakPolarHBondContact CA-OE1 3.37Å; A87-E116 PolarHBondContact N-OE1 2.8Å; A87-E116 PolarHBondContact N-OE2 2.81Å; V112-E116 VanDerWaalsContact O-CB 3.31Å; V112-E116 WeakPolarHBondContact O-CB 3.31Å; V112-E116 PolarHBondContact O-N 3.27Å; E116-T120 VanDerWaalsContact O-CB 3.31Å; E116-T120 WeakPolarHBondContact O-CB 3.3Å; E116-T120 PolarHBondContact O-N 2.97Å; E116-T120 PolarHBondContact O-OG1 3.18Å
117E93.3Very high87.9Confident137 Ų13770.5 Ų70.564%0.6439%0.394SS*.Hα-helixtrans-62.9-53.3-179.5-174.1-178.3179.800112.8L115 L119 T120 Q121L115-E117 PolarHBondContact O-N 3.3Å; E117-L119 VanDerWaalsContact C-N 3.31Å; E117-L119 PolarHBondContact O-N 3.49Å; E117-T120 PolarHBondContact O-N 3.13Å; E117-Q121 WeakPolarHBondContact O-CG 3.39Å; E117-Q121 PolarHBondContact O-N 3.42Å; E117-Q121 VanDerWaalsContact O-N 3.11Å; E117-Q121 PolarHBondContact OE1-NE2 2.94Å
118P92.2Very high87.3Confident49 Ų4972.6 Ų72.632%0.31841%0.407SS..Hα-helixtrans-65.6-31.7-177.524.3-34.2000113.1L115 V122L115-P118 VanDerWaalsContact O-CD 3.3Å; L115-P118 WeakPolarHBondContact O-CD 3.48Å; L115-P118 WeakPolarHBondContact O-CG 3.38Å; P118-V122 WeakPolarHBondContact O-CG2 3.48Å; P118-V122 PolarHBondContact O-N 3.4Å
119L92Very high86.6Confident8 Ų876.8 Ų76.84%0.04243%0.43CS..Hα-helixtrans-75.4-37.1175.9-68178.2000112L2 L24 V86 A87 L89 L115 E117 Q121 V122 A123L2-L119 HydrophobicContact CD1-CD2 3.99Å; L2-L119 HydrophobicContact CD2-CD2 3.82Å; L24-L119 HydrophobicContact CD1-CD1 4.09Å; L24-L119 HydrophobicContact CD2-CD1 3.97Å; L24-L119 HydrophobicContact CD2-CD2 4.19Å; V86-L119 HydrophobicContact CG1-CD1 3.96Å; V86-L119 HydrophobicContact CG2-CD1 3.9Å; A87-L119 HydrophobicContact CB-CB 4.09Å; L89-L119 HydrophobicContact CD1-CD1 4.3Å; L89-L119 HydrophobicContact CD1-CD2 4.41Å; L115-L119 HydrophobicContact CB-CD1 3.79Å; L115-L119 HydrophobicContact CB-CG 4.25Å; L115-L119 VanDerWaalsContact O-CB 3.23Å; L115-L119 WeakPolarHBondContact O-CB 3.17Å; L115-L119 VanDerWaalsContact O-CG 3.24Å; L115-L119 WeakPolarHBondContact O-CG 3.26Å; L115-L119 PolarHBondContact O-N 2.95Å; E117-L119 VanDerWaalsContact C-N 3.31Å; E117-L119 PolarHBondContact O-N 3.49Å; L119-Q121 VanDerWaalsContact C-N 3.34Å; L119-Q121 PolarHBondContact O-N 3.06Å; L119-V122 PolarHBondContact O-N 3.41Å; L119-A123 VanDerWaalsContact O-CB 3.24Å; L119-A123 WeakPolarHBondContact O-CB 3.42Å; L119-A123 PolarHBondContact O-N 3.5Å
120T91.3Very high85.9Confident65 Ų6576 Ų7640%0.39943%0.431SS..Hα-helixtrans-61.3-43.1176-59.90000111.6A87 E116 E117 V122 A123 A124A87-T120 VanDerWaalsContact CB-OG1 3.27Å; A87-T120 WeakPolarHBondContact CB-OG1 3.43Å; E116-T120 VanDerWaalsContact O-CB 3.31Å; E116-T120 WeakPolarHBondContact O-CB 3.3Å; E116-T120 PolarHBondContact O-N 2.97Å; E116-T120 PolarHBondContact O-OG1 3.18Å; E117-T120 PolarHBondContact O-N 3.13Å; T120-V122 VanDerWaalsContact C-N 3.28Å; T120-V122 PolarHBondContact O-N 3.07Å; T120-A123 PolarHBondContact O-N 2.92Å; T120-A124 WeakPolarHBondContact O-CB 3.35Å; T120-A124 PolarHBondContact O-N 3.08Å; T120-A124 VanDerWaalsContact O-N 3.14Å
121Q85.2Confident85Confident119 Ų11977.4 Ų77.456%0.55643%0.43SS*.Hα-helixtrans-63.2-35178.4-69.8176.68.600112.7E117 L119 S125E117-Q121 WeakPolarHBondContact O-CG 3.39Å; E117-Q121 PolarHBondContact O-N 3.42Å; E117-Q121 VanDerWaalsContact O-N 3.11Å; E117-Q121 PolarHBondContact OE1-NE2 2.94Å; L119-Q121 VanDerWaalsContact C-N 3.34Å; L119-Q121 PolarHBondContact O-N 3.06Å; Q121-S125 PolarHBondContact O-OG 3.2Å
122V77.3Confident84.1Confident57 Ų5781.9 Ų81.935%0.34546%0.455SS..Hα-helixtrans-82.3-32.2-179.8175.80000111.8L2 P118 L119 T120 A124 S125L2-V122 HydrophobicContact CB-CG1 4.33Å; L2-V122 HydrophobicContact CB-CG2 4.18Å; L2-V122 HydrophobicContact CD1-CB 4.27Å; L2-V122 HydrophobicContact CD1-CG2 3.67Å; P118-V122 WeakPolarHBondContact O-CG2 3.48Å; P118-V122 PolarHBondContact O-N 3.4Å; L119-V122 PolarHBondContact O-N 3.41Å; T120-V122 VanDerWaalsContact C-N 3.28Å; T120-V122 PolarHBondContact O-N 3.07Å; V122-A124 VanDerWaalsContact C-N 3.33Å; V122-S125 PolarHBondContact O-N 2.87Å
123A66.9Low83Confident42 Ų4286.2 Ų86.235%0.34748%0.478SS..Hα-helixtrans-76.6-17.4178.500000114.3N88 L119 T120 S125N88-A123 WeakPolarHBondContact OD1-CB 3.43Å; L119-A123 VanDerWaalsContact O-CB 3.24Å; L119-A123 WeakPolarHBondContact O-CB 3.42Å; L119-A123 PolarHBondContact O-N 3.5Å; T120-A123 PolarHBondContact O-N 2.92Å; A123-S125 VanDerWaalsContact C-N 3.28Å
124A56.2Low81.8Confident88 Ų8879.6 Ų79.673%0.72745%0.453SS*.THydrogen-bonded Turntrans-84.20.3174.400000113.8T120 V122T120-A124 WeakPolarHBondContact O-CB 3.35Å; T120-A124 PolarHBondContact O-N 3.08Å; T120-A124 VanDerWaalsContact O-N 3.14Å; V122-A124 VanDerWaalsContact C-N 3.33Å
125S39.9Very low80.4Confident153 Ų15372.6 Ų72.6100%1.0744%0.439SS*.  trans-1020178.3-48.90000111Q121 V122 A123Q121-S125 PolarHBondContact O-OG 3.2Å; V122-S125 PolarHBondContact O-N 2.87Å; A123-S125 VanDerWaalsContact C-N 3.28Å

Retrieved 125 of 125 residues in 317.7 ms (Link to these results)

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